A0A077Z3U0_TRITR Loading...

non-specific protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A077Z3U0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 738 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	32.7	Very low	38.9	Very low	237 Å²	237	146.5 Å²	146.5	100%	1.167	84%	0.836	S	S	*	*				0	88	0	-67.9	174.8	95.4	0	0	109.2
2	K	33.8	Very low	42.1	Very low	200 Å²	200	139.7 Å²	139.7	87%	0.87	79%	0.794	S	S	*	*			trans	-149.3	88.9	158.6	-97.5	-174.1	180	177.1	0	104.8	H4	K2-H4 PolarHBondContact O-N 3.13Å
3	D	36.5	Very low	45.5	Very low	159 Å²	159	132.3 Å²	132.3	85%	0.85	76%	0.761	S	S	*	*			trans	-60.6	113.7	174.6	-68.6	-42.3	0	0	0	108.4	A5	D3-A5 PolarHBondContact O-N 3.39Å
4	H	36.4	Very low	48.2	Very low	190 Å²	190	123.1 Å²	123.1	88%	0.88	71%	0.709	S	S	*	*			trans	-69.8	87.1	160.5	-89.8	-74.2	0	0	0	107.3	K2 Q6	K2-H4 PolarHBondContact O-N 3.13Å; H4-Q6 PolarHBondContact O-N 3.34Å; H4-Q6 VanDerWaalsContact O-N 3.13Å
5	A	37.7	Very low	51	Low	91 Å²	91	122.3 Å²	122.3	75%	0.752	69%	0.69	S	S	*	*			trans	-51.2	116.8	167.6	0	0	0	0	0	108.7	D3 G7	D3-A5 PolarHBondContact O-N 3.39Å; A5-G7 PolarHBondContact O-N 3.02Å
6	Q	33.7	Very low	53.5	Low	192 Å²	192	118.8 Å²	118.8	90%	0.897	67%	0.669	S	S	*	*			trans	-54.1	108.9	166.7	-69	173.9	-12.3	0	0	107.8	H4 G8	H4-Q6 PolarHBondContact O-N 3.34Å; H4-Q6 VanDerWaalsContact O-N 3.13Å; Q6-G8 PolarHBondContact O-N 2.9Å; Q6-G8 VanDerWaalsContact O-N 3.08Å
7	G	32.5	Very low	55.8	Low	60 Å²	60	111.8 Å²	111.8	62%	0.619	63%	0.63	S	S	*	*			trans	-60	112.2	172.9	0	0	0	0	0	109	A5 H9	A5-G7 PolarHBondContact O-N 3.02Å; G7-H9 VanDerWaalsContact C-N 3.28Å; G7-H9 PolarHBondContact O-N 2.8Å
8	G	30.3	Very low	57.8	Low	82 Å²	82	105.6 Å²	105.6	85%	0.845	60%	0.595	S	S	*	*			trans	-65.2	87.3	172.2	0	0	0	0	0	110.1	Q6 S10	Q6-G8 PolarHBondContact O-N 2.9Å; Q6-G8 VanDerWaalsContact O-N 3.08Å; G8-S10 PolarHBondContact O-N 3.48Å
9	H	41.7	Very low	59.6	Low	181 Å²	181	103.9 Å²	103.9	84%	0.838	59%	0.587	S	S	*	*			trans	-68.4	111.7	164.9	-79.2	-73.5	0	0	0	107.9	G7	G7-H9 VanDerWaalsContact C-N 3.28Å; G7-H9 PolarHBondContact O-N 2.8Å
10	S	48.6	Very low	61.2	Low	99 Å²	99	102.2 Å²	102.2	69%	0.692	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-52.6	133	164.3	49.8	0	0	0	0	108.9	G8 L12	G8-S10 PolarHBondContact O-N 3.48Å; S10-L12 PolarHBondContact O-N 3.01Å
11	P	64	Low	62.7	Low	121 Å²	121	97.3 Å²	97.3	79%	0.786	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.6	132.1	179.8	21.3	-30.5	0	0	0	109.9	A13	P11-A13 PolarHBondContact O-N 3.48Å
12	L	77	Confident	65.6	Low	64 Å²	64	91.7 Å²	91.7	34%	0.335	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-51.6	121.4	179.8	-164.4	84.6	0	0	0	109.3	S10 D16 L17 V39 H70 F71	S10-L12 PolarHBondContact O-N 3.01Å; L12-D16 HydrophobicContact CD1-CB 4.08Å; L12-D16 HydrophobicContact CG-CB 4.35Å; L12-L17 HydrophobicContact CD2-CD1 4.46Å; L12-L17 HydrophobicContact CD2-CD2 3.64Å; L12-L17 HydrophobicContact CD2-CG 3.95Å; L12-V39 WeakPolarHBondContact O-CG2 3.12Å; L12-H70 HydrophobicContact CD2-CB 3.88Å; L12-F71 HydrophobicContact CD2-CE2 3.77Å; L12-F71 HydrophobicContact CD2-CZ 3.95Å
13	A	86.1	Confident	68.5	Low	44 Å²	44	82.5 Å²	82.5	36%	0.364	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-93.8	161.3	179	0	0	0	0	0	111.4	P11 Y15 D16 L17	P11-A13 PolarHBondContact O-N 3.48Å; A13-Y15 PolarHBondContact O-N 2.73Å; A13-D16 WeakPolarHBondContact CB-OD2 3.45Å; A13-D16 PolarHBondContact N-OD2 3.05Å; A13-D16 WeakPolarHBondContact O-CB 3.17Å; A13-D16 PolarHBondContact O-N 2.88Å; A13-L17 PolarHBondContact O-N 3Å
14	V	84.3	Confident	71.2	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.024	46%	0.458	C	S	.	.	H	α-helix	trans	-57.9	-34.7	174.3	179.7	0	0	0	0	110.6	D16 L17 L18 M30 V36 S38 V39 L42	V14-D16 VanDerWaalsContact C-N 3.35Å; V14-D16 PolarHBondContact O-N 3Å; V14-L17 PolarHBondContact O-N 2.61Å; V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.45Å; V14-L18 PolarHBondContact O-N 3.23Å; V14-L18 VanDerWaalsContact O-N 3.11Å; V14-M30 HydrophobicContact CG1-SD 3.78Å; V14-V36 HydrophobicContact CG1-CG1 4.22Å; V14-V36 HydrophobicContact CG2-CG1 3.7Å; V14-S38 VanDerWaalsContact CG2-C 3.46Å; V14-V39 HydrophobicContact CG2-CG2 4.02Å; V14-V39 VanDerWaalsContact N-CG2 3.33Å; V14-L42 HydrophobicContact CG1-CD2 4.41Å
15	Y	89.2	Confident	73.9	Confident	110 Å²	110	73 Å²	73	43%	0.431	45%	0.452	S	S	.	.	H	α-helix	trans	-58.7	-43.3	174.9	-172.4	-104.3	0	0	0	112.3	A13 L17 L18 V19 T24 H27	A13-Y15 PolarHBondContact O-N 2.73Å; Y15-L17 VanDerWaalsContact C-N 3.34Å; Y15-L17 PolarHBondContact O-N 3.06Å; Y15-L18 PolarHBondContact O-N 3.02Å; Y15-L18 VanDerWaalsContact O-N 3.12Å; Y15-V19 HydrophobicContact CD1-CG2 3.86Å; Y15-V19 HydrophobicContact CE1-CG2 3.52Å; Y15-V19 HydrophobicContact CE2-CG2 4.41Å; Y15-V19 HydrophobicContact CG-CG2 4.44Å; Y15-V19 WeakPolarHBondContact O-CG2 3.5Å; Y15-V19 PolarHBondContact O-N 2.95Å; Y15-T24 HydrophobicContact CE2-CG2 4.37Å; Y15-H27 HydrophobicContact CD2-CB 4.17Å; Y15-H27 AromaticContact CD2-CD2 3.64Å; Y15-H27 AromaticContact CD2-CE1 3.94Å; Y15-H27 AromaticContact CD2-CG 3.63Å; Y15-H27 AromaticContact CD2-ND1 3.83Å; Y15-H27 AromaticContact CD2-NE2 3.84Å
16	D	91.5	Very high	76.5	Confident	66 Å²	66	70.3 Å²	70.3	35%	0.353	42%	0.423	S	S	.	.	H	α-helix	trans	-63.9	-41	-178.5	-56.3	-42.5	0	0	0	111.5	L12 A13 V14 L18 V19 E20	L12-D16 HydrophobicContact CD1-CB 4.08Å; L12-D16 HydrophobicContact CG-CB 4.35Å; A13-D16 WeakPolarHBondContact CB-OD2 3.45Å; A13-D16 PolarHBondContact N-OD2 3.05Å; A13-D16 WeakPolarHBondContact O-CB 3.17Å; A13-D16 PolarHBondContact O-N 2.88Å; V14-D16 VanDerWaalsContact C-N 3.35Å; V14-D16 PolarHBondContact O-N 3Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.3Å; D16-V19 PolarHBondContact O-N 3.16Å; D16-E20 PolarHBondContact O-N 3.48Å; D16-E20 VanDerWaalsContact O-N 3.07Å
17	L	91.7	Very high	79.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-63	-39.2	174.3	-67.2	173.7	0	0	0	112.1	L12 A13 V14 Y15 A21 V39 L42 F63 I66 Y67 H70 F71	L12-L17 HydrophobicContact CD2-CD1 4.46Å; L12-L17 HydrophobicContact CD2-CD2 3.64Å; L12-L17 HydrophobicContact CD2-CG 3.95Å; A13-L17 PolarHBondContact O-N 3Å; V14-L17 PolarHBondContact O-N 2.61Å; Y15-L17 VanDerWaalsContact C-N 3.34Å; Y15-L17 PolarHBondContact O-N 3.06Å; L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.29Å; L17-A21 PolarHBondContact O-N 2.85Å; L17-A21 VanDerWaalsContact O-N 3.09Å; L17-V39 HydrophobicContact CD1-CB 4.42Å; L17-V39 HydrophobicContact CD1-CG1 3.67Å; L17-V39 HydrophobicContact CD1-CG2 3.9Å; L17-L42 HydrophobicContact CD1-CD1 3.32Å; L17-F63 HydrophobicContact CB-CE2 4.23Å; L17-I66 HydrophobicContact CD2-CG2 3.94Å; L17-Y67 HydrophobicContact CD1-CD2 3.88Å; L17-H70 HydrophobicContact CD2-CB 4.11Å; L17-H70 VanDerWaalsContact CD2-CD2 3.42Å; L17-H70 WeakPolarHBondContact CD2-CD2 3.47Å; L17-F71 HydrophobicContact CD1-CE2 4.29Å; L17-F71 HydrophobicContact CD2-CE2 4.47Å
18	L	92	Very high	81.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-71.4	-35.5	177.2	-70.4	171.7	0	0	0	112.1	V14 Y15 D16 A21 D22 L23 H27 M30 F63	V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.45Å; V14-L18 PolarHBondContact O-N 3.23Å; V14-L18 VanDerWaalsContact O-N 3.11Å; Y15-L18 PolarHBondContact O-N 3.02Å; Y15-L18 VanDerWaalsContact O-N 3.12Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.3Å; L18-A21 CarbonylContact O-C 3.52Å; L18-A21 PolarHBondContact O-N 2.97Å; L18-D22 PolarHBondContact O-N 3.25Å; L18-L23 HydrophobicContact CD2-CB 3.76Å; L18-L23 PolarHBondContact O-N 3.49Å; L18-H27 VanDerWaalsContact CD1-CA 3.45Å; L18-H27 HydrophobicContact CD1-CB 3.72Å; L18-M30 HydrophobicContact CD1-SD 3.94Å; L18-M30 HydrophobicContact CD2-CE 4.21Å; L18-M30 HydrophobicContact CD2-SD 3.94Å; L18-M30 HydrophobicContact CG-SD 4.25Å; L18-F63 HydrophobicContact CD2-CD2 3.69Å; L18-F63 HydrophobicContact CD2-CE2 3.51Å; L18-F63 HydrophobicContact CD2-CZ 4.46Å; L18-F63 HydrophobicContact CG-CE2 4.04Å
19	V	92.1	Very high	84.7	Confident	74 Å²	74	60.6 Å²	60.6	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-49.6	173.9	170.6	0	0	0	0	110.5	Y15 D16 A21 D22 T24	Y15-V19 HydrophobicContact CD1-CG2 3.86Å; Y15-V19 HydrophobicContact CE1-CG2 3.52Å; Y15-V19 HydrophobicContact CE2-CG2 4.41Å; Y15-V19 HydrophobicContact CG-CG2 4.44Å; Y15-V19 WeakPolarHBondContact O-CG2 3.5Å; Y15-V19 PolarHBondContact O-N 2.95Å; D16-V19 PolarHBondContact O-N 3.16Å; V19-A21 PolarHBondContact O-N 3.17Å; V19-D22 PolarHBondContact O-N 3.02Å; V19-T24 HydrophobicContact CB-CG2 4.2Å; V19-T24 HydrophobicContact CG2-CG2 3.53Å
20	E	92.8	Very high	86.7	Confident	69 Å²	69	52 Å²	52	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-32.3	177.9	-172.3	176.2	167.8	0	0	111.7	D16 D22 R62 I66 K69 H70	D16-E20 PolarHBondContact O-N 3.48Å; D16-E20 VanDerWaalsContact O-N 3.07Å; E20-D22 VanDerWaalsContact C-N 3.28Å; E20-D22 PolarHBondContact O-N 2.94Å; E20-R62 PolarHBondContact O-NH2 2.86Å; E20-I66 HydrophobicContact CB-CD1 4.17Å; E20-I66 HydrophobicContact CB-CG2 4.02Å; E20-I66 HydrophobicContact CG-CD1 3.85Å; E20-I66 HydrophobicContact CG-CG1 4.18Å; E20-I66 HydrophobicContact CG-CG2 4.07Å; E20-I66 VanDerWaalsContact O-CD1 3.29Å; E20-I66 WeakPolarHBondContact O-CD1 3.42Å; E20-K69 IonicContact OE1-NZ 2.65Å; E20-K69 PolarHBondContact OE1-NZ 3.3Å; E20-H70 IonicContact OE2-CD2 3.69Å; E20-H70 IonicContact OE2-CE1 3.64Å; E20-H70 IonicContact OE2-NE2 2.65Å; E20-H70 PolarHBondContact OE2-NE2 3.19Å
21	A	92.4	Very high	88.3	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-80.1	-7	176.9	0	0	0	0	0	113.9	L17 L18 V19 L23 R62 F63 I66	L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.29Å; L17-A21 PolarHBondContact O-N 2.85Å; L17-A21 VanDerWaalsContact O-N 3.09Å; L18-A21 CarbonylContact O-C 3.52Å; L18-A21 PolarHBondContact O-N 2.97Å; V19-A21 PolarHBondContact O-N 3.17Å; A21-L23 HydrophobicContact CB-CB 4.17Å; A21-L23 HydrophobicContact CB-CD1 3.71Å; A21-L23 HydrophobicContact CB-CG 3.94Å; A21-L23 WeakPolarHBondContact O-CG 3.33Å; A21-L23 PolarHBondContact O-N 3.31Å; A21-R62 VanDerWaalsContact C-CZ 3.42Å; A21-R62 VanDerWaalsContact O-CD 3.22Å; A21-R62 WeakPolarHBondContact O-CD 3.01Å; A21-R62 PolarHBondContact O-NE 3.48Å; A21-R62 PolarHBondContact O-NH1 3.26Å; A21-F63 HydrophobicContact CB-CD2 4.33Å; A21-I66 HydrophobicContact CB-CD1 3.49Å; A21-I66 VanDerWaalsContact CB-CD1 3.49Å; A21-I66 VanDerWaalsContact N-CD1 3.28Å
22	D	93.5	Very high	89.1	Confident	119 Å²	119	50.9 Å²	50.9	64%	0.636	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	42.5	-171.4	-157.9	20.7	0	0	0	111.9	L18 V19 E20 R62	L18-D22 PolarHBondContact O-N 3.25Å; V19-D22 PolarHBondContact O-N 3.02Å; E20-D22 VanDerWaalsContact C-N 3.28Å; E20-D22 PolarHBondContact O-N 2.94Å; D22-R62 IonicContact OD2-NH1 3.9Å
23	L	95	Very high	89.2	Confident	7 Å²	7	55 Å²	55	4%	0.037	30%	0.298	C	S	.	.			trans	-125.8	25.3	-175	-67.7	175.4	0	0	0	111.5	L18 A21 A25 Y26 M55 E59 F63	L18-L23 HydrophobicContact CD2-CB 3.76Å; L18-L23 PolarHBondContact O-N 3.49Å; A21-L23 HydrophobicContact CB-CB 4.17Å; A21-L23 HydrophobicContact CB-CD1 3.71Å; A21-L23 HydrophobicContact CB-CG 3.94Å; A21-L23 WeakPolarHBondContact O-CG 3.33Å; A21-L23 PolarHBondContact O-N 3.31Å; L23-A25 PolarHBondContact O-N 3.07Å; L23-A25 VanDerWaalsContact O-N 3.13Å; L23-Y26 HydrophobicContact CB-CD2 3.89Å; L23-Y26 HydrophobicContact CD2-CD2 3.86Å; L23-Y26 HydrophobicContact CD2-CE2 3.61Å; L23-Y26 HydrophobicContact CG-CD2 4.39Å; L23-Y26 WeakPolarHBondContact O-CB 3.22Å; L23-Y26 PolarHBondContact O-N 3.27Å; L23-M55 HydrophobicContact CD1-CE 4.04Å; L23-M55 HydrophobicContact CD1-SD 4.29Å; L23-E59 HydrophobicContact CD1-CB 4.33Å; L23-E59 HydrophobicContact CD2-CB 3.72Å; L23-E59 HydrophobicContact CD2-CG 3.7Å; L23-F63 HydrophobicContact CD1-CB 3.65Å; L23-F63 HydrophobicContact CD1-CD2 4.34Å; L23-F63 HydrophobicContact CD1-CG 4.39Å
24	T	92.7	Very high	88.7	Confident	60 Å²	60	54.7 Å²	54.7	37%	0.368	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-58.4	-27.7	-177.3	54.7	0	0	0	0	113.2	Y15 V19 Y26 H27	Y15-T24 HydrophobicContact CE2-CG2 4.37Å; V19-T24 HydrophobicContact CB-CG2 4.2Å; V19-T24 HydrophobicContact CG2-CG2 3.53Å; T24-Y26 PolarHBondContact O-N 3.33Å; T24-Y26 VanDerWaalsContact O-N 3.16Å; T24-H27 WeakPolarHBondContact O-CB 3.48Å; T24-H27 PolarHBondContact O-N 3.31Å
25	A	92.4	Very high	88.3	Confident	90 Å²	90	61 Å²	61	74%	0.744	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-56.7	-28.8	173.3	0	0	0	0	0	113.2	L23 H27	L23-A25 PolarHBondContact O-N 3.07Å; L23-A25 VanDerWaalsContact O-N 3.13Å; A25-H27 VanDerWaalsContact C-N 3.34Å
26	Y	93.6	Very high	87.8	Confident	35 Å²	35	55.8 Å²	55.8	14%	0.137	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.1	-5.6	178.2	-62	-79.1	0	0	0	113.4	L23 T24 S28 A29 M30 I53 G54 M55 E59	L23-Y26 HydrophobicContact CB-CD2 3.89Å; L23-Y26 HydrophobicContact CD2-CD2 3.86Å; L23-Y26 HydrophobicContact CD2-CE2 3.61Å; L23-Y26 HydrophobicContact CG-CD2 4.39Å; L23-Y26 WeakPolarHBondContact O-CB 3.22Å; L23-Y26 PolarHBondContact O-N 3.27Å; T24-Y26 PolarHBondContact O-N 3.33Å; T24-Y26 VanDerWaalsContact O-N 3.16Å; Y26-S28 PolarHBondContact O-N 2.88Å; Y26-A29 CarbonylContact O-C 3.58Å; Y26-A29 PolarHBondContact O-N 3.49Å; Y26-M30 PolarHBondContact O-N 2.85Å; Y26-I53 HydrophobicContact CD1-CD1 4.08Å; Y26-I53 HydrophobicContact CD1-CG1 4.26Å; Y26-G54 PolarHBondContact OH-O 3.42Å; Y26-M55 HydrophobicContact CD1-CB 4.5Å; Y26-M55 HydrophobicContact CD2-CE 4.12Å; Y26-M55 HydrophobicContact CE1-CB 4.06Å; Y26-M55 HydrophobicContact CE2-CG 4.45Å; Y26-M55 HydrophobicContact CG-CE 4.08Å; Y26-E59 WeakPolarHBondContact CE2-OE1 3.29Å; Y26-E59 VanDerWaalsContact OH-CD 3.25Å; Y26-E59 PolarHBondContact OH-OE1 2.85Å; Y26-E59 PolarHBondContact OH-OE2 2.86Å
27	H	91.3	Very high	87	Confident	41 Å²	41	57 Å²	57	19%	0.19	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-47	-177.2	-179	-112.4	0	0	0	112.1	Y15 L18 T24 A25 A29 M30 Q31	Y15-H27 HydrophobicContact CD2-CB 4.17Å; Y15-H27 AromaticContact CD2-CD2 3.64Å; Y15-H27 AromaticContact CD2-CE1 3.94Å; Y15-H27 AromaticContact CD2-CG 3.63Å; Y15-H27 AromaticContact CD2-ND1 3.83Å; Y15-H27 AromaticContact CD2-NE2 3.84Å; L18-H27 VanDerWaalsContact CD1-CA 3.45Å; L18-H27 HydrophobicContact CD1-CB 3.72Å; T24-H27 WeakPolarHBondContact O-CB 3.48Å; T24-H27 PolarHBondContact O-N 3.31Å; A25-H27 VanDerWaalsContact C-N 3.34Å; H27-A29 VanDerWaalsContact C-N 3.29Å; H27-A29 PolarHBondContact O-N 3.08Å; H27-M30 PolarHBondContact O-N 3.47Å; H27-Q31 PolarHBondContact CE1-NE2 3.2Å; H27-Q31 VanDerWaalsContact CE1-NE2 3.26Å; H27-Q31 PolarHBondContact CE1-OE1 3.45Å; H27-Q31 PolarHBondContact NE2-NE2 3.12Å; H27-Q31 VanDerWaalsContact NE2-NE2 3.14Å; H27-Q31 PolarHBondContact O-N 3.09Å
28	S	88.6	Confident	86.4	Confident	73 Å²	73	59 Å²	59	51%	0.51	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-38.1	175	179.1	0	0	0	0	111.9	Y26 H32	Y26-S28 PolarHBondContact O-N 2.88Å; S28-H32 VanDerWaalsContact O-CB 3.26Å; S28-H32 WeakPolarHBondContact O-CB 3.19Å; S28-H32 PolarHBondContact O-CD2 3.18Å; S28-H32 VanDerWaalsContact O-CD2 3.23Å; S28-H32 PolarHBondContact O-N 2.92Å
29	A	87.4	Confident	85.8	Confident	16 Å²	16	59.2 Å²	59.2	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-72	-38.8	179	0	0	0	0	0	111.7	Y26 H27 K33 L34 I53	Y26-A29 CarbonylContact O-C 3.58Å; Y26-A29 PolarHBondContact O-N 3.49Å; H27-A29 VanDerWaalsContact C-N 3.29Å; H27-A29 PolarHBondContact O-N 3.08Å; A29-K33 HydrophobicContact CB-CD 4.29Å; A29-K33 VanDerWaalsContact O-CA 3.31Å; A29-K33 WeakPolarHBondContact O-CA 3.34Å; A29-K33 WeakPolarHBondContact O-CB 3.46Å; A29-K33 PolarHBondContact O-N 3.3Å; A29-L34 PolarHBondContact O-N 3.38Å; A29-I53 HydrophobicContact CB-CB 3.86Å; A29-I53 HydrophobicContact CB-CD1 4.45Å; A29-I53 HydrophobicContact CB-CG2 3.95Å
30	M	85.4	Confident	84.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-45.6	174.3	-78.1	-160.6	165.3	0	0	111.7	V14 L18 Y26 H27 L34 K35 V36 L42 L50 I53 M55 F63	V14-M30 HydrophobicContact CG1-SD 3.78Å; L18-M30 HydrophobicContact CD1-SD 3.94Å; L18-M30 HydrophobicContact CD2-CE 4.21Å; L18-M30 HydrophobicContact CD2-SD 3.94Å; L18-M30 HydrophobicContact CG-SD 4.25Å; Y26-M30 PolarHBondContact O-N 2.85Å; H27-M30 PolarHBondContact O-N 3.47Å; M30-L34 CarbonylContact O-C 3.51Å; M30-L34 PolarHBondContact O-N 2.95Å; M30-K35 PolarHBondContact O-N 3.5Å; M30-V36 HydrophobicContact CB-CB 4.39Å; M30-V36 PolarHBondContact O-N 3.19Å; M30-L42 HydrophobicContact CE-CD2 4.36Å; M30-L42 HydrophobicContact SD-CD2 4.13Å; M30-L50 HydrophobicContact CE-CD2 3.48Å; M30-L50 VanDerWaalsContact CE-CD2 3.48Å; M30-I53 HydrophobicContact CE-CD1 4.36Å; M30-I53 HydrophobicContact CG-CD1 4.05Å; M30-M55 HydrophobicContact CE-CE 4.06Å; M30-F63 HydrophobicContact CE-CD1 4.13Å; M30-F63 HydrophobicContact CE-CE1 3.6Å; M30-F63 HydrophobicContact CE-CE2 4.01Å; M30-F63 HydrophobicContact CE-CZ 3.52Å; M30-F63 HydrophobicContact SD-CE2 4.34Å; M30-F63 HydrophobicContact SD-CZ 3.98Å
31	Q	81.2	Confident	83.9	Confident	77 Å²	77	59.7 Å²	59.7	36%	0.36	33%	0.326	S	S	.	.	H	α-helix	trans	-72.8	-45.1	179.3	-71.9	-172.3	-25.3	0	0	113	H27 K35	H27-Q31 PolarHBondContact CE1-NE2 3.2Å; H27-Q31 VanDerWaalsContact CE1-NE2 3.26Å; H27-Q31 PolarHBondContact CE1-OE1 3.45Å; H27-Q31 PolarHBondContact NE2-NE2 3.12Å; H27-Q31 VanDerWaalsContact NE2-NE2 3.14Å; H27-Q31 PolarHBondContact O-N 3.09Å; Q31-K35 VanDerWaalsContact O-CA 3.27Å; Q31-K35 WeakPolarHBondContact O-CA 3.44Å; Q31-K35 PolarHBondContact O-N 2.65Å
32	H	81	Confident	83.3	Confident	120 Å²	120	59.7 Å²	59.7	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-93.8	-34.6	-170.6	-64.6	-74.3	0	0	0	114.1	S28 K35	S28-H32 VanDerWaalsContact O-CB 3.26Å; S28-H32 WeakPolarHBondContact O-CB 3.19Å; S28-H32 PolarHBondContact O-CD2 3.18Å; S28-H32 VanDerWaalsContact O-CD2 3.23Å; S28-H32 PolarHBondContact O-N 2.92Å; H32-K35 WeakPolarHBondContact O-CE 3.1Å; H32-K35 PolarHBondContact O-NZ 3.48Å
33	K	78	Confident	82	Confident	150 Å²	150	57.9 Å²	57.9	65%	0.652	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-47.9	178.5	-59.4	-175.2	175.2	-178.5	0	112.3	A29 I53	A29-K33 HydrophobicContact CB-CD 4.29Å; A29-K33 VanDerWaalsContact O-CA 3.31Å; A29-K33 WeakPolarHBondContact O-CA 3.34Å; A29-K33 WeakPolarHBondContact O-CB 3.46Å; A29-K33 PolarHBondContact O-N 3.3Å; K33-I53 HydrophobicContact CB-CG2 4.09Å; K33-I53 HydrophobicContact CD-CG2 4.24Å
34	L	76.3	Confident	80.4	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.194	32%	0.32	C	S	.	.	S	Bend	trans	-90.9	-6.5	179.6	-58.6	-176.3	0	0	0	114.2	A29 M30 V36 V45 D49 L50 I53	A29-L34 PolarHBondContact O-N 3.38Å; M30-L34 CarbonylContact O-C 3.51Å; M30-L34 PolarHBondContact O-N 2.95Å; L34-V36 HydrophobicContact CB-CG2 3.8Å; L34-V36 PolarHBondContact O-N 3.28Å; L34-V45 HydrophobicContact CD1-CG1 4.13Å; L34-D49 HydrophobicContact CD1-CB 4.19Å; L34-D49 HydrophobicContact CD2-CB 3.81Å; L34-L50 HydrophobicContact CD1-CD2 4.41Å; L34-I53 HydrophobicContact CD1-CD1 3.88Å; L34-I53 HydrophobicContact CD1-CG1 4.36Å; L34-I53 HydrophobicContact CD1-CG2 3.86Å; L34-I53 HydrophobicContact CD2-CG2 3.88Å; L34-I53 HydrophobicContact CG-CG2 3.57Å
35	K	77.1	Confident	79.5	Confident	136 Å²	136	57.9 Å²	57.9	59%	0.591	31%	0.306	S	S	*	.			trans	55.7	30.8	-179	-53.4	-56.1	-169.8	-167.8	0	114.2	M30 Q31 H32 S37 H41	M30-K35 PolarHBondContact O-N 3.5Å; Q31-K35 VanDerWaalsContact O-CA 3.27Å; Q31-K35 WeakPolarHBondContact O-CA 3.44Å; Q31-K35 PolarHBondContact O-N 2.65Å; H32-K35 WeakPolarHBondContact O-CE 3.1Å; H32-K35 PolarHBondContact O-NZ 3.48Å; K35-S37 PolarHBondContact O-N 3.23Å; K35-H41 PolarHBondContact O-ND1 3.38Å
36	V	77.3	Confident	78.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.012	28%	0.283	C	S	.	.			trans	-84	98.1	175.9	-175.7	0	0	0	0	108.7	V14 M30 L34 H41 L42 V45	V14-V36 HydrophobicContact CG1-CG1 4.22Å; V14-V36 HydrophobicContact CG2-CG1 3.7Å; M30-V36 HydrophobicContact CB-CB 4.39Å; M30-V36 PolarHBondContact O-N 3.19Å; L34-V36 HydrophobicContact CB-CG2 3.8Å; L34-V36 PolarHBondContact O-N 3.28Å; V36-H41 HydrophobicContact CB-CB 4.34Å; V36-H41 HydrophobicContact CG1-CB 3.81Å; V36-H41 HydrophobicContact CG2-CB 4.49Å; V36-L42 HydrophobicContact CG1-CD2 3.54Å; V36-L42 HydrophobicContact CG1-CG 3.92Å; V36-V45 HydrophobicContact CG2-CG2 3.63Å
37	S	75.6	Confident	78	Confident	90 Å²	90	57.3 Å²	57.3	63%	0.629	29%	0.292	S	S	*	.			trans	-98.3	-25.9	177.3	55.7	0	0	0	0	113.6	K35 H41	K35-S37 PolarHBondContact O-N 3.23Å; S37-H41 PolarHBondContact N-ND1 2.88Å; S37-H41 PolarHBondContact OG-CE1 3.02Å
38	S	79.1	Confident	77.2	Confident	43 Å²	43	59 Å²	59	30%	0.301	31%	0.309	S	S	.	.	S	Bend	trans	-120.4	153.2	176.7	176	0	0	0	0	110.8	V14 D40 H41	V14-S38 VanDerWaalsContact CG2-C 3.46Å; S38-D40 PolarHBondContact O-N 3.35Å; S38-D40 PolarHBondContact OG-N 3.26Å; S38-H41 WeakPolarHBondContact O-CB 3.48Å; S38-H41 PolarHBondContact O-N 3.03Å
39	V	79.8	Confident	76.7	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.03	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.2	173	176.2	0	0	0	0	111.9	L12 V14 L17 H41 L42 Y67 F71	L12-V39 WeakPolarHBondContact O-CG2 3.12Å; V14-V39 HydrophobicContact CG2-CG2 4.02Å; V14-V39 VanDerWaalsContact N-CG2 3.33Å; L17-V39 HydrophobicContact CD1-CB 4.42Å; L17-V39 HydrophobicContact CD1-CG1 3.67Å; L17-V39 HydrophobicContact CD1-CG2 3.9Å; V39-H41 PolarHBondContact O-N 2.97Å; V39-L42 HydrophobicContact CG1-CD1 4.25Å; V39-L42 VanDerWaalsContact O-CB 3.32Å; V39-L42 WeakPolarHBondContact O-CB 3.46Å; V39-L42 PolarHBondContact O-N 3.37Å; V39-L42 VanDerWaalsContact O-N 3.1Å; V39-Y67 HydrophobicContact CG1-CD2 4.49Å; V39-Y67 HydrophobicContact CG1-CE2 3.99Å; V39-F71 HydrophobicContact CB-CZ 4.24Å; V39-F71 HydrophobicContact CG1-CD2 4.08Å; V39-F71 HydrophobicContact CG1-CE1 4.04Å; V39-F71 HydrophobicContact CG1-CE2 3.15Å; V39-F71 HydrophobicContact CG1-CZ 3.13Å
40	D	69.5	Low	76.7	Confident	82 Å²	82	55.9 Å²	55.9	44%	0.439	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.5	172.6	-70	-38.5	0	0	0	113	S38 L42 R43	S38-D40 PolarHBondContact O-N 3.35Å; S38-D40 PolarHBondContact OG-N 3.26Å; D40-L42 VanDerWaalsContact C-N 3.28Å; D40-R43 WeakPolarHBondContact O-CD 3.29Å; D40-R43 WeakPolarHBondContact O-CG 3.47Å; D40-R43 PolarHBondContact O-NE 2.86Å
41	H	75.1	Confident	76.8	Confident	70 Å²	70	61.6 Å²	61.6	32%	0.324	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-74.7	-23.3	178.2	-63	-173.1	0	0	0	111.4	K35 V36 S37 S38 V39 R43 F44	K35-H41 PolarHBondContact O-ND1 3.38Å; V36-H41 HydrophobicContact CB-CB 4.34Å; V36-H41 HydrophobicContact CG1-CB 3.81Å; V36-H41 HydrophobicContact CG2-CB 4.49Å; S37-H41 PolarHBondContact N-ND1 2.88Å; S37-H41 PolarHBondContact OG-CE1 3.02Å; S38-H41 WeakPolarHBondContact O-CB 3.48Å; S38-H41 PolarHBondContact O-N 3.03Å; V39-H41 PolarHBondContact O-N 2.97Å; H41-R43 PolarHBondContact O-N 3.3Å; H41-F44 PolarHBondContact O-N 2.78Å
42	L	78.7	Confident	77	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-60.8	-28.7	-179.1	-67.8	176.6	0	0	0	112.3	V14 L17 M30 V36 V39 D40 F44 V45 F63 Y67 I76	V14-L42 HydrophobicContact CG1-CD2 4.41Å; L17-L42 HydrophobicContact CD1-CD1 3.32Å; M30-L42 HydrophobicContact CE-CD2 4.36Å; M30-L42 HydrophobicContact SD-CD2 4.13Å; V36-L42 HydrophobicContact CG1-CD2 3.54Å; V36-L42 HydrophobicContact CG1-CG 3.92Å; V39-L42 HydrophobicContact CG1-CD1 4.25Å; V39-L42 VanDerWaalsContact O-CB 3.32Å; V39-L42 WeakPolarHBondContact O-CB 3.46Å; V39-L42 PolarHBondContact O-N 3.37Å; V39-L42 VanDerWaalsContact O-N 3.1Å; D40-L42 VanDerWaalsContact C-N 3.28Å; L42-F44 PolarHBondContact O-N 3.23Å; L42-V45 HydrophobicContact CD2-CG2 4.19Å; L42-V45 WeakPolarHBondContact O-CB 3.29Å; L42-V45 PolarHBondContact O-N 3.11Å; L42-F63 HydrophobicContact CD1-CE1 4.31Å; L42-F63 HydrophobicContact CD1-CZ 3.65Å; L42-F63 HydrophobicContact CD2-CE1 3.89Å; L42-F63 HydrophobicContact CD2-CZ 3.61Å; L42-F63 HydrophobicContact CG-CZ 4.27Å; L42-Y67 HydrophobicContact CB-CD2 4.08Å; L42-Y67 HydrophobicContact CB-CE1 4.4Å; L42-Y67 HydrophobicContact CB-CE2 3.61Å; L42-Y67 HydrophobicContact CD1-CD2 3.69Å; L42-Y67 HydrophobicContact CD1-CE2 3.86Å; L42-Y67 HydrophobicContact CG-CE2 4.38Å; L42-I76 WeakPolarHBondContact O-CD1 3.28Å
43	R	67.7	Low	77.4	Confident	80 Å²	80	60 Å²	60	30%	0.302	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-59.2	-16.9	176.6	78	-162.1	166.2	170.4	-3.1	114.3	D40 H41 Y67	D40-R43 WeakPolarHBondContact O-CD 3.29Å; D40-R43 WeakPolarHBondContact O-CG 3.47Å; D40-R43 PolarHBondContact O-NE 2.86Å; H41-R43 PolarHBondContact O-N 3.3Å; R43-Y67 PolarHBondContact N-OH 3.49Å
44	F	61.6	Low	77.9	Confident	56 Å²	56	55.3 Å²	55.3	25%	0.246	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-102.2	-8.1	178.7	-50.5	-58.2	0	0	0	113.3	H41 L42 T46 I97 L174	H41-F44 PolarHBondContact O-N 2.78Å; L42-F44 PolarHBondContact O-N 3.23Å; F44-T46 PolarHBondContact O-N 3.47Å; F44-I97 HydrophobicContact CD1-CD1 4Å; F44-I97 HydrophobicContact CD1-CG2 4.33Å; F44-L174 HydrophobicContact CD1-CD1 4.05Å; F44-L174 HydrophobicContact CE1-CB 3.56Å; F44-L174 HydrophobicContact CE1-CD1 3.45Å; F44-L174 VanDerWaalsContact CE1-CD1 3.45Å; F44-L174 HydrophobicContact CE1-CG 4.15Å; F44-L174 HydrophobicContact CZ-CB 3.67Å; F44-L174 HydrophobicContact CZ-CD1 4.41Å
45	V	73.2	Confident	78.6	Confident	12 Å²	12	53.7 Å²	53.7	7%	0.073	29%	0.289	C	S	.	.			trans	-79.6	120.7	-177.3	178.1	0	0	0	0	109.9	L34 V36 L42 D49 L50	L34-V45 HydrophobicContact CD1-CG1 4.13Å; V36-V45 HydrophobicContact CG2-CG2 3.63Å; L42-V45 HydrophobicContact CD2-CG2 4.19Å; L42-V45 WeakPolarHBondContact O-CB 3.29Å; L42-V45 PolarHBondContact O-N 3.11Å; V45-D49 HydrophobicContact CG1-CB 4.19Å; V45-L50 HydrophobicContact CG1-CD1 4.37Å; V45-L50 HydrophobicContact CG1-CD2 3.54Å; V45-L50 HydrophobicContact CG1-CG 3.67Å
46	T	76.7	Confident	79.2	Confident	44 Å²	44	49.7 Å²	49.7	27%	0.27	28%	0.278	S	S	.	.			trans	-92.4	166.6	178.5	73	0	0	0	0	112.4	F44 S48 D49 L50	F44-T46 PolarHBondContact O-N 3.47Å; T46-S48 PolarHBondContact O-N 3.42Å; T46-S48 PolarHBondContact OG1-N 3.41Å; T46-D49 WeakPolarHBondContact CA-OD2 3.19Å; T46-D49 VanDerWaalsContact CB-OD2 3.29Å; T46-D49 WeakPolarHBondContact CB-OD2 3.29Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.26Å; T46-D49 PolarHBondContact N-OD2 3.41Å; T46-D49 PolarHBondContact O-N 3.04Å; T46-D49 PolarHBondContact OG1-N 2.79Å; T46-D49 PolarHBondContact OG1-OD2 3.12Å; T46-L50 WeakPolarHBondContact O-CG 3.26Å; T46-L50 PolarHBondContact O-N 3.28Å; T46-L50 VanDerWaalsContact O-N 3.11Å
47	E	78.1	Confident	79.8	Confident	68 Å²	68	57.5 Å²	57.5	32%	0.318	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-30.3	172.9	-67.2	-172.6	171.6	0	0	112.7	Q51 Q60 R80	E47-Q51 VanDerWaalsContact O-CB 3.28Å; E47-Q51 WeakPolarHBondContact O-CB 3.2Å; E47-Q51 PolarHBondContact O-N 3.11Å; E47-Q60 PolarHBondContact O-NE2 2.89Å; E47-R80 WeakPolarHBondContact OE1-CD 3.37Å; E47-R80 IonicContact OE1-CZ 3.67Å; E47-R80 VanDerWaalsContact OE1-CZ 3.26Å; E47-R80 IonicContact OE1-NE 3.45Å; E47-R80 PolarHBondContact OE1-NE 3.41Å; E47-R80 IonicContact OE1-NH1 2.7Å; E47-R80 PolarHBondContact OE1-NH1 3.47Å
48	S	73.9	Confident	80.5	Confident	78 Å²	78	57.4 Å²	57.4	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-69.4	-41.6	177.4	-170.5	0	0	0	0	111.2	T46 L50 Q51 E52	T46-S48 PolarHBondContact O-N 3.42Å; T46-S48 PolarHBondContact OG1-N 3.41Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-Q51 WeakPolarHBondContact O-CB 3.31Å; S48-Q51 PolarHBondContact O-N 2.89Å; S48-E52 WeakPolarHBondContact O-CB 3.39Å; S48-E52 PolarHBondContact O-N 3.34Å
49	D	78.3	Confident	81.1	Confident	22 Å²	22	58 Å²	58	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-41.9	177.4	-54.4	-43.9	0	0	0	110.4	L34 V45 T46 Q51 E52 I53 Q95	L34-D49 HydrophobicContact CD1-CB 4.19Å; L34-D49 HydrophobicContact CD2-CB 3.81Å; V45-D49 HydrophobicContact CG1-CB 4.19Å; T46-D49 WeakPolarHBondContact CA-OD2 3.19Å; T46-D49 VanDerWaalsContact CB-OD2 3.29Å; T46-D49 WeakPolarHBondContact CB-OD2 3.29Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.26Å; T46-D49 PolarHBondContact N-OD2 3.41Å; T46-D49 PolarHBondContact O-N 3.04Å; T46-D49 PolarHBondContact OG1-N 2.79Å; T46-D49 PolarHBondContact OG1-OD2 3.12Å; D49-Q51 VanDerWaalsContact C-N 3.32Å; D49-Q51 PolarHBondContact O-N 3.32Å; D49-E52 PolarHBondContact O-N 3.35Å; D49-I53 PolarHBondContact O-N 2.66Å; D49-Q95 PolarHBondContact OD1-NE2 3.22Å; D49-Q95 PolarHBondContact OD2-NE2 3.23Å; D49-Q95 VanDerWaalsContact OD2-NE2 3.15Å
50	L	88.2	Confident	81.6	Confident	1 Å²	1	58 Å²	58	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-38.5	173.9	-64.3	177.7	0	0	0	111.7	M30 L34 V45 T46 S48 E52 I53 G54 M55 Q60 F63	M30-L50 HydrophobicContact CE-CD2 3.48Å; M30-L50 VanDerWaalsContact CE-CD2 3.48Å; L34-L50 HydrophobicContact CD1-CD2 4.41Å; V45-L50 HydrophobicContact CG1-CD1 4.37Å; V45-L50 HydrophobicContact CG1-CD2 3.54Å; V45-L50 HydrophobicContact CG1-CG 3.67Å; T46-L50 WeakPolarHBondContact O-CG 3.26Å; T46-L50 PolarHBondContact O-N 3.28Å; T46-L50 VanDerWaalsContact O-N 3.11Å; S48-L50 VanDerWaalsContact C-N 3.33Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-I53 HydrophobicContact CD2-CD1 4.16Å; L50-I53 WeakPolarHBondContact O-CG1 3.48Å; L50-I53 PolarHBondContact O-N 3.43Å; L50-G54 PolarHBondContact O-N 2.84Å; L50-M55 HydrophobicContact CB-CB 4.23Å; L50-M55 HydrophobicContact CB-SD 4.21Å; L50-M55 HydrophobicContact CD1-SD 4.17Å; L50-M55 HydrophobicContact CD2-CE 4Å; L50-M55 HydrophobicContact CD2-SD 4.15Å; L50-M55 HydrophobicContact CG-SD 4.41Å; L50-M55 WeakPolarHBondContact O-CB 3.46Å; L50-M55 PolarHBondContact O-N 3.07Å; L50-Q60 HydrophobicContact CB-CG 3.78Å; L50-Q60 HydrophobicContact CD1-CB 4.33Å; L50-Q60 HydrophobicContact CD1-CG 4.06Å; L50-F63 HydrophobicContact CD1-CD1 4.34Å
51	Q	87.7	Confident	82.3	Confident	120 Å²	120	62 Å²	62	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-66	-36.2	175.1	-171.4	169.1	7.7	0	0	111.8	E47 S48 D49 G54	E47-Q51 VanDerWaalsContact O-CB 3.28Å; E47-Q51 WeakPolarHBondContact O-CB 3.2Å; E47-Q51 PolarHBondContact O-N 3.11Å; S48-Q51 WeakPolarHBondContact O-CB 3.31Å; S48-Q51 PolarHBondContact O-N 2.89Å; D49-Q51 VanDerWaalsContact C-N 3.32Å; D49-Q51 PolarHBondContact O-N 3.32Å; Q51-G54 WeakPolarHBondContact O-CA 3.48Å; Q51-G54 PolarHBondContact O-N 3.15Å
52	E	84	Confident	83.1	Confident	150 Å²	150	64.1 Å²	64.1	70%	0.701	32%	0.317	S	S	*	.	H	α-helix	trans	-66.7	-34.8	178.6	-173.4	174.6	176.7	0	0	112.6	S48 D49 L50 G54	S48-E52 WeakPolarHBondContact O-CB 3.39Å; S48-E52 PolarHBondContact O-N 3.34Å; D49-E52 PolarHBondContact O-N 3.35Å; L50-E52 VanDerWaalsContact C-N 3.32Å; E52-G54 PolarHBondContact O-N 2.69Å
53	I	89.1	Confident	83.8	Confident	14 Å²	14	64.2 Å²	64.2	7%	0.072	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.2	171.1	63.9	169.9	0	0	0	113.8	Y26 A29 M30 K33 L34 D49 L50 M55	Y26-I53 HydrophobicContact CD1-CD1 4.08Å; Y26-I53 HydrophobicContact CD1-CG1 4.26Å; A29-I53 HydrophobicContact CB-CB 3.86Å; A29-I53 HydrophobicContact CB-CD1 4.45Å; A29-I53 HydrophobicContact CB-CG2 3.95Å; M30-I53 HydrophobicContact CE-CD1 4.36Å; M30-I53 HydrophobicContact CG-CD1 4.05Å; K33-I53 HydrophobicContact CB-CG2 4.09Å; K33-I53 HydrophobicContact CD-CG2 4.24Å; L34-I53 HydrophobicContact CD1-CD1 3.88Å; L34-I53 HydrophobicContact CD1-CG1 4.36Å; L34-I53 HydrophobicContact CD1-CG2 3.86Å; L34-I53 HydrophobicContact CD2-CG2 3.88Å; L34-I53 HydrophobicContact CG-CG2 3.57Å; D49-I53 PolarHBondContact O-N 2.66Å; L50-I53 HydrophobicContact CD2-CD1 4.16Å; L50-I53 WeakPolarHBondContact O-CG1 3.48Å; L50-I53 PolarHBondContact O-N 3.43Å; I53-M55 HydrophobicContact CD1-CE 4.38Å; I53-M55 HydrophobicContact CG1-CB 4.47Å
54	G	88.6	Confident	84.6	Confident	50 Å²	50	60.9 Å²	60.9	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	6.2	176.1	0	0	0	0	0	115	Y26 L50 Q51 E52 S56	Y26-G54 PolarHBondContact OH-O 3.42Å; L50-G54 PolarHBondContact O-N 2.84Å; Q51-G54 WeakPolarHBondContact O-CA 3.48Å; Q51-G54 PolarHBondContact O-N 3.15Å; E52-G54 PolarHBondContact O-N 2.69Å; G54-S56 PolarHBondContact O-N 3.49Å
55	M	91.2	Very high	85.8	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.015	33%	0.326	C	S	.	.			trans	-71.6	121.5	-179.8	-165	-177.6	-72.6	0	0	110.5	L23 Y26 M30 L50 I53 E59 Q60 F63	L23-M55 HydrophobicContact CD1-CE 4.04Å; L23-M55 HydrophobicContact CD1-SD 4.29Å; Y26-M55 HydrophobicContact CD1-CB 4.5Å; Y26-M55 HydrophobicContact CD2-CE 4.12Å; Y26-M55 HydrophobicContact CE1-CB 4.06Å; Y26-M55 HydrophobicContact CE2-CG 4.45Å; Y26-M55 HydrophobicContact CG-CE 4.08Å; M30-M55 HydrophobicContact CE-CE 4.06Å; L50-M55 HydrophobicContact CB-CB 4.23Å; L50-M55 HydrophobicContact CB-SD 4.21Å; L50-M55 HydrophobicContact CD1-SD 4.17Å; L50-M55 HydrophobicContact CD2-CE 4Å; L50-M55 HydrophobicContact CD2-SD 4.15Å; L50-M55 HydrophobicContact CG-SD 4.41Å; L50-M55 WeakPolarHBondContact O-CB 3.46Å; L50-M55 PolarHBondContact O-N 3.07Å; I53-M55 HydrophobicContact CD1-CE 4.38Å; I53-M55 HydrophobicContact CG1-CB 4.47Å; M55-E59 HydrophobicContact CG-CB 3.41Å; M55-E59 VanDerWaalsContact CG-CB 3.41Å; M55-E59 HydrophobicContact SD-CB 4.25Å; M55-Q60 HydrophobicContact CB-CG 4.02Å; M55-Q60 HydrophobicContact CG-CG 3.72Å; M55-Q60 PolarHBondContact O-NE2 3.46Å; M55-Q60 WeakPolarHBondContact SD-CA 3.33Å; M55-Q60 HydrophobicContact SD-CB 4.15Å; M55-Q60 HydrophobicContact SD-CG 3.69Å; M55-Q60 PolarHBondContact SD-N 3.44Å; M55-F63 HydrophobicContact CE-CB 4.44Å; M55-F63 HydrophobicContact CE-CG 4.47Å; M55-F63 HydrophobicContact SD-CB 4.16Å
56	S	90.3	Very high	86.5	Confident	52 Å²	52	65.9 Å²	65.9	36%	0.364	33%	0.326	S	S	.	.			trans	-68.1	157.3	175.5	72.1	0	0	0	0	111.8	G54 P58 E59 Q60	G54-S56 PolarHBondContact O-N 3.49Å; S56-P58 VanDerWaalsContact C-N 3.35Å; S56-P58 WeakPolarHBondContact OG-CD 3.42Å; S56-E59 WeakPolarHBondContact CA-OE2 3.34Å; S56-E59 WeakPolarHBondContact CB-OE2 3.41Å; S56-E59 PolarHBondContact N-OE2 3.1Å; S56-E59 WeakPolarHBondContact O-CB 3.46Å; S56-E59 PolarHBondContact O-N 2.96Å; S56-E59 VanDerWaalsContact OG-CD 3.26Å; S56-E59 VanDerWaalsContact OG-CG 3.29Å; S56-E59 WeakPolarHBondContact OG-CG 3.21Å; S56-E59 PolarHBondContact OG-OE2 3.46Å; S56-Q60 WeakPolarHBondContact O-CG 3.49Å; S56-Q60 PolarHBondContact O-N 3.42Å
57	R	88.9	Confident	86.9	Confident	167 Å²	167	64.2 Å²	64.2	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-53.9	-40.6	179.1	-79	-176.9	165.3	164.9	-2.4	114.5	R61	R57-R61 WeakPolarHBondContact O-CG 3.21Å; R57-R61 PolarHBondContact O-N 3.06Å; R57-R61 VanDerWaalsContact O-N 3.12Å
58	P	89.9	Confident	87	Confident	87 Å²	87	64.7 Å²	64.7	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-62.3	-43.3	173.1	-25.3	35.5	0	0	0	113.5	S56 R61 R62	S56-P58 VanDerWaalsContact C-N 3.35Å; S56-P58 WeakPolarHBondContact OG-CD 3.42Å; P58-R61 PolarHBondContact O-N 3.43Å; P58-R62 PolarHBondContact O-N 3.15Å
59	E	92.7	Very high	87.4	Confident	55 Å²	55	67.6 Å²	67.6	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-42.7	177.8	-67.4	167.1	124.6	0	0	111.1	L23 Y26 M55 S56 R61 R62 F63	L23-E59 HydrophobicContact CD1-CB 4.33Å; L23-E59 HydrophobicContact CD2-CB 3.72Å; L23-E59 HydrophobicContact CD2-CG 3.7Å; Y26-E59 WeakPolarHBondContact CE2-OE1 3.29Å; Y26-E59 VanDerWaalsContact OH-CD 3.25Å; Y26-E59 PolarHBondContact OH-OE1 2.85Å; Y26-E59 PolarHBondContact OH-OE2 2.86Å; M55-E59 HydrophobicContact CG-CB 3.41Å; M55-E59 VanDerWaalsContact CG-CB 3.41Å; M55-E59 HydrophobicContact SD-CB 4.25Å; S56-E59 WeakPolarHBondContact CA-OE2 3.34Å; S56-E59 WeakPolarHBondContact CB-OE2 3.41Å; S56-E59 PolarHBondContact N-OE2 3.1Å; S56-E59 WeakPolarHBondContact O-CB 3.46Å; S56-E59 PolarHBondContact O-N 2.96Å; S56-E59 VanDerWaalsContact OG-CD 3.26Å; S56-E59 VanDerWaalsContact OG-CG 3.29Å; S56-E59 WeakPolarHBondContact OG-CG 3.21Å; S56-E59 PolarHBondContact OG-OE2 3.46Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 3.49Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 VanDerWaalsContact O-N 3.08Å; E59-F63 PolarHBondContact O-N 3.06Å
60	Q	90.1	Very high	87.5	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.028	33%	0.33	C	S	.	.	H	α-helix	trans	-56.1	-46.2	173.7	-67.6	177.9	15.1	0	0	111.6	E47 L50 M55 S56 R62 F63 L64	E47-Q60 PolarHBondContact O-NE2 2.89Å; L50-Q60 HydrophobicContact CB-CG 3.78Å; L50-Q60 HydrophobicContact CD1-CB 4.33Å; L50-Q60 HydrophobicContact CD1-CG 4.06Å; M55-Q60 HydrophobicContact CB-CG 4.02Å; M55-Q60 HydrophobicContact CG-CG 3.72Å; M55-Q60 PolarHBondContact O-NE2 3.46Å; M55-Q60 WeakPolarHBondContact SD-CA 3.33Å; M55-Q60 HydrophobicContact SD-CB 4.15Å; M55-Q60 HydrophobicContact SD-CG 3.69Å; M55-Q60 PolarHBondContact SD-N 3.44Å; S56-Q60 WeakPolarHBondContact O-CG 3.49Å; S56-Q60 PolarHBondContact O-N 3.42Å; Q60-R62 VanDerWaalsContact C-N 3.32Å; Q60-R62 PolarHBondContact O-N 3Å; Q60-F63 PolarHBondContact O-N 3.23Å; Q60-L64 VanDerWaalsContact O-CB 3.29Å; Q60-L64 WeakPolarHBondContact O-CB 3.27Å; Q60-L64 WeakPolarHBondContact O-CG 3.46Å; Q60-L64 PolarHBondContact O-N 3.39Å
61	R	85.4	Confident	87	Confident	167 Å²	167	72.8 Å²	72.8	63%	0.63	34%	0.343	S	S	*	.	H	α-helix	trans	-62.7	-39.8	176.5	-70.6	179.4	-149.2	164.4	4.1	111.9	R57 P58 E59 K65	R57-R61 WeakPolarHBondContact O-CG 3.21Å; R57-R61 PolarHBondContact O-N 3.06Å; R57-R61 VanDerWaalsContact O-N 3.12Å; P58-R61 PolarHBondContact O-N 3.43Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 3.49Å; R61-K65 VanDerWaalsContact O-CB 3.26Å; R61-K65 WeakPolarHBondContact O-CB 3.47Å; R61-K65 PolarHBondContact O-N 3.14Å
62	R	90.8	Very high	85.7	Confident	114 Å²	114	72 Å²	72	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-66.1	-47.6	178.9	-172	176.1	178.1	-162.1	-7	111.4	E20 A21 D22 P58 E59 Q60 K65 I66	E20-R62 PolarHBondContact O-NH2 2.86Å; A21-R62 VanDerWaalsContact C-CZ 3.42Å; A21-R62 VanDerWaalsContact O-CD 3.22Å; A21-R62 WeakPolarHBondContact O-CD 3.01Å; A21-R62 PolarHBondContact O-NE 3.48Å; A21-R62 PolarHBondContact O-NH1 3.26Å; D22-R62 IonicContact OD2-NH1 3.9Å; P58-R62 PolarHBondContact O-N 3.15Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 VanDerWaalsContact O-N 3.08Å; Q60-R62 VanDerWaalsContact C-N 3.32Å; Q60-R62 PolarHBondContact O-N 3Å; R62-K65 PolarHBondContact O-N 3.19Å; R62-I66 HydrophobicContact CG-CD1 4.38Å; R62-I66 PolarHBondContact O-N 3.46Å
63	F	92.8	Very high	84.3	Confident	3 Å²	3	71.9 Å²	71.9	1%	0.013	35%	0.352	C	S	.	.	H	α-helix	trans	-57.5	-51.5	175.5	-176.5	-110.3	0	0	0	111.6	L17 L18 A21 L23 M30 L42 L50 M55 E59 Q60 K65 I66 Y67	L17-F63 HydrophobicContact CB-CE2 4.23Å; L18-F63 HydrophobicContact CD2-CD2 3.69Å; L18-F63 HydrophobicContact CD2-CE2 3.51Å; L18-F63 HydrophobicContact CD2-CZ 4.46Å; L18-F63 HydrophobicContact CG-CE2 4.04Å; A21-F63 HydrophobicContact CB-CD2 4.33Å; L23-F63 HydrophobicContact CD1-CB 3.65Å; L23-F63 HydrophobicContact CD1-CD2 4.34Å; L23-F63 HydrophobicContact CD1-CG 4.39Å; M30-F63 HydrophobicContact CE-CD1 4.13Å; M30-F63 HydrophobicContact CE-CE1 3.6Å; M30-F63 HydrophobicContact CE-CE2 4.01Å; M30-F63 HydrophobicContact CE-CZ 3.52Å; M30-F63 HydrophobicContact SD-CE2 4.34Å; M30-F63 HydrophobicContact SD-CZ 3.98Å; L42-F63 HydrophobicContact CD1-CE1 4.31Å; L42-F63 HydrophobicContact CD1-CZ 3.65Å; L42-F63 HydrophobicContact CD2-CE1 3.89Å; L42-F63 HydrophobicContact CD2-CZ 3.61Å; L42-F63 HydrophobicContact CG-CZ 4.27Å; L50-F63 HydrophobicContact CD1-CD1 4.34Å; M55-F63 HydrophobicContact CE-CB 4.44Å; M55-F63 HydrophobicContact CE-CG 4.47Å; M55-F63 HydrophobicContact SD-CB 4.16Å; E59-F63 PolarHBondContact O-N 3.06Å; Q60-F63 PolarHBondContact O-N 3.23Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 2.95Å; F63-I66 PolarHBondContact O-N 3.19Å; F63-I66 VanDerWaalsContact O-N 3.15Å; F63-Y67 WeakPolarHBondContact O-CB 2.97Å; F63-Y67 PolarHBondContact O-N 3.31Å
64	L	85.9	Confident	82.1	Confident	9 Å²	9	72.1 Å²	72.1	5%	0.047	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-35.4	179.9	-70.9	170.9	0	0	0	112.3	Q60 I66 Y67 Q68 I76	Q60-L64 VanDerWaalsContact O-CB 3.29Å; Q60-L64 WeakPolarHBondContact O-CB 3.27Å; Q60-L64 WeakPolarHBondContact O-CG 3.46Å; Q60-L64 PolarHBondContact O-N 3.39Å; L64-I66 VanDerWaalsContact C-N 3.34Å; L64-Y67 PolarHBondContact O-N 2.62Å; L64-Q68 VanDerWaalsContact O-CB 3.29Å; L64-Q68 WeakPolarHBondContact O-CB 3.49Å; L64-Q68 WeakPolarHBondContact O-CG 3.29Å; L64-Q68 PolarHBondContact O-N 3.49Å; L64-I76 HydrophobicContact CD2-CD1 4.42Å; L64-I76 HydrophobicContact CD2-CG2 4.14Å
65	K	86.5	Confident	79.9	Confident	159 Å²	159	74.1 Å²	74.1	69%	0.691	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-38.8	176.2	-175.4	178.2	-179.4	-177.2	0	111.9	R61 R62 F63 K69	R61-K65 VanDerWaalsContact O-CB 3.26Å; R61-K65 WeakPolarHBondContact O-CB 3.47Å; R61-K65 PolarHBondContact O-N 3.14Å; R62-K65 PolarHBondContact O-N 3.19Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 2.95Å; K65-K69 WeakPolarHBondContact O-CB 3.35Å; K65-K69 PolarHBondContact O-N 3.03Å
66	I	87.7	Confident	77.5	Confident	15 Å²	15	75.4 Å²	75.4	8%	0.077	35%	0.354	C	S	.	.	H	α-helix	trans	-75	-41.4	178	-73.9	163.3	0	0	0	110.9	L17 E20 A21 R62 F63 L64 Q68 K69 H70	L17-I66 HydrophobicContact CD2-CG2 3.94Å; E20-I66 HydrophobicContact CB-CD1 4.17Å; E20-I66 HydrophobicContact CB-CG2 4.02Å; E20-I66 HydrophobicContact CG-CD1 3.85Å; E20-I66 HydrophobicContact CG-CG1 4.18Å; E20-I66 HydrophobicContact CG-CG2 4.07Å; E20-I66 VanDerWaalsContact O-CD1 3.29Å; E20-I66 WeakPolarHBondContact O-CD1 3.42Å; A21-I66 HydrophobicContact CB-CD1 3.49Å; A21-I66 VanDerWaalsContact CB-CD1 3.49Å; A21-I66 VanDerWaalsContact N-CD1 3.28Å; R62-I66 HydrophobicContact CG-CD1 4.38Å; R62-I66 PolarHBondContact O-N 3.46Å; F63-I66 PolarHBondContact O-N 3.19Å; F63-I66 VanDerWaalsContact O-N 3.15Å; L64-I66 VanDerWaalsContact C-N 3.34Å; I66-Q68 VanDerWaalsContact C-N 3.31Å; I66-Q68 PolarHBondContact O-N 2.97Å; I66-K69 WeakPolarHBondContact O-CB 2.92Å; I66-K69 PolarHBondContact O-N 3.11Å; I66-K69 VanDerWaalsContact O-N 3.07Å; I66-H70 PolarHBondContact O-CD2 3.38Å; I66-H70 PolarHBondContact O-N 3.15Å
67	Y	84.4	Confident	74.9	Confident	8 Å²	8	74.2 Å²	74.2	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-43.8	172.1	-178.8	-113.3	0	0	0	111.5	L17 V39 L42 R43 F63 L64 K69 H70 F71 S74 I76	L17-Y67 HydrophobicContact CD1-CD2 3.88Å; V39-Y67 HydrophobicContact CG1-CD2 4.49Å; V39-Y67 HydrophobicContact CG1-CE2 3.99Å; L42-Y67 HydrophobicContact CB-CD2 4.08Å; L42-Y67 HydrophobicContact CB-CE1 4.4Å; L42-Y67 HydrophobicContact CB-CE2 3.61Å; L42-Y67 HydrophobicContact CD1-CD2 3.69Å; L42-Y67 HydrophobicContact CD1-CE2 3.86Å; L42-Y67 HydrophobicContact CG-CE2 4.38Å; R43-Y67 PolarHBondContact N-OH 3.49Å; F63-Y67 WeakPolarHBondContact O-CB 2.97Å; F63-Y67 PolarHBondContact O-N 3.31Å; L64-Y67 PolarHBondContact O-N 2.62Å; Y67-K69 VanDerWaalsContact C-N 3.31Å; Y67-K69 PolarHBondContact O-N 2.93Å; Y67-H70 PolarHBondContact O-N 2.8Å; Y67-F71 AromaticContact CD2-CD2 3.52Å; Y67-F71 HydrophobicContact CD2-CD2 3.52Å; Y67-F71 HydrophobicContact CD2-CE2 4.07Å; Y67-F71 HydrophobicContact CD2-CG 4.39Å; Y67-F71 HydrophobicContact CE2-CB 4.38Å; Y67-F71 AromaticContact CE2-CD2 3.41Å; Y67-F71 HydrophobicContact CE2-CD2 3.41Å; Y67-F71 VanDerWaalsContact CE2-CD2 3.41Å; Y67-F71 AromaticContact CE2-CE2 3.95Å; Y67-F71 HydrophobicContact CE2-CE2 3.95Å; Y67-F71 AromaticContact CE2-CG 3.96Å; Y67-F71 HydrophobicContact CE2-CG 3.96Å; Y67-F71 HydrophobicContact CG-CD2 4.4Å; Y67-F71 WeakPolarHBondContact O-CA 3.35Å; Y67-F71 WeakPolarHBondContact O-CB 3.39Å; Y67-F71 WeakPolarHBondContact O-CD2 3.18Å; Y67-F71 PolarHBondContact O-N 3.08Å; Y67-S74 WeakPolarHBondContact CE1-OG 3.32Å; Y67-S74 PolarHBondContact OH-OG 2.79Å; Y67-I76 HydrophobicContact CD1-CD1 3.91Å; Y67-I76 HydrophobicContact CE1-CD1 3.42Å; Y67-I76 VanDerWaalsContact CE1-CD1 3.42Å; Y67-I76 HydrophobicContact CE1-CG1 4.2Å
68	Q	80.3	Confident	72.4	Confident	78 Å²	78	74.5 Å²	74.5	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-28.5	173.3	-75	173.6	-8.3	0	0	113.6	L64 I66 F71 P72	L64-Q68 VanDerWaalsContact O-CB 3.29Å; L64-Q68 WeakPolarHBondContact O-CB 3.49Å; L64-Q68 WeakPolarHBondContact O-CG 3.29Å; L64-Q68 PolarHBondContact O-N 3.49Å; I66-Q68 VanDerWaalsContact C-N 3.31Å; I66-Q68 PolarHBondContact O-N 2.97Å; Q68-F71 CarbonylContact O-C 3.27Å; Q68-F71 VanDerWaalsContact O-C 3.27Å; Q68-P72 WeakPolarHBondContact O-CA 3.46Å; Q68-P72 VanDerWaalsContact O-N 3.08Å
69	K	82	Confident	69.8	Low	139 Å²	139	75.6 Å²	75.6	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-66.9	-43.7	175.4	176.9	-171.6	169	-168.4	0	111.2	E20 K65 I66 Y67	E20-K69 IonicContact OE1-NZ 2.65Å; E20-K69 PolarHBondContact OE1-NZ 3.3Å; K65-K69 WeakPolarHBondContact O-CB 3.35Å; K65-K69 PolarHBondContact O-N 3.03Å; I66-K69 WeakPolarHBondContact O-CB 2.92Å; I66-K69 PolarHBondContact O-N 3.11Å; I66-K69 VanDerWaalsContact O-N 3.07Å; Y67-K69 VanDerWaalsContact C-N 3.31Å; Y67-K69 PolarHBondContact O-N 2.93Å
70	H	81	Confident	67.2	Low	70 Å²	70	78.6 Å²	78.6	32%	0.324	37%	0.366	S	S	.	.	H	α-helix	trans	-81.4	-29.5	178.2	-73.8	-77.2	0	0	0	113	L12 L17 E20 I66 Y67 P72	L12-H70 HydrophobicContact CD2-CB 3.88Å; L17-H70 HydrophobicContact CD2-CB 4.11Å; L17-H70 VanDerWaalsContact CD2-CD2 3.42Å; L17-H70 WeakPolarHBondContact CD2-CD2 3.47Å; E20-H70 IonicContact OE2-CD2 3.69Å; E20-H70 IonicContact OE2-CE1 3.64Å; E20-H70 IonicContact OE2-NE2 2.65Å; E20-H70 PolarHBondContact OE2-NE2 3.19Å; I66-H70 PolarHBondContact O-CD2 3.38Å; I66-H70 PolarHBondContact O-N 3.15Å; Y67-H70 PolarHBondContact O-N 2.8Å; H70-P72 WeakPolarHBondContact O-CD 3.48Å
71	F	77.3	Confident	64.3	Low	63 Å²	63	87 Å²	87	28%	0.276	41%	0.405	S	S	.	.			trans	-125.8	73.9	178.8	-54.2	-86.9	0	0	0	109.5	L12 L17 V39 Y67 Q68 D73 S74	L12-F71 HydrophobicContact CD2-CE2 3.77Å; L12-F71 HydrophobicContact CD2-CZ 3.95Å; L17-F71 HydrophobicContact CD1-CE2 4.29Å; L17-F71 HydrophobicContact CD2-CE2 4.47Å; V39-F71 HydrophobicContact CB-CZ 4.24Å; V39-F71 HydrophobicContact CG1-CD2 4.08Å; V39-F71 HydrophobicContact CG1-CE1 4.04Å; V39-F71 HydrophobicContact CG1-CE2 3.15Å; V39-F71 HydrophobicContact CG1-CZ 3.13Å; Y67-F71 AromaticContact CD2-CD2 3.52Å; Y67-F71 HydrophobicContact CD2-CD2 3.52Å; Y67-F71 HydrophobicContact CD2-CE2 4.07Å; Y67-F71 HydrophobicContact CD2-CG 4.39Å; Y67-F71 HydrophobicContact CE2-CB 4.38Å; Y67-F71 AromaticContact CE2-CD2 3.41Å; Y67-F71 HydrophobicContact CE2-CD2 3.41Å; Y67-F71 VanDerWaalsContact CE2-CD2 3.41Å; Y67-F71 AromaticContact CE2-CE2 3.95Å; Y67-F71 HydrophobicContact CE2-CE2 3.95Å; Y67-F71 AromaticContact CE2-CG 3.96Å; Y67-F71 HydrophobicContact CE2-CG 3.96Å; Y67-F71 HydrophobicContact CG-CD2 4.4Å; Y67-F71 WeakPolarHBondContact O-CA 3.35Å; Y67-F71 WeakPolarHBondContact O-CB 3.39Å; Y67-F71 WeakPolarHBondContact O-CD2 3.18Å; Y67-F71 PolarHBondContact O-N 3.08Å; Q68-F71 CarbonylContact O-C 3.27Å; Q68-F71 VanDerWaalsContact O-C 3.27Å; F71-D73 PolarHBondContact O-N 3.21Å; F71-D73 VanDerWaalsContact O-N 3.11Å; F71-S74 WeakPolarHBondContact O-CB 3.46Å; F71-S74 PolarHBondContact O-N 3.27Å
72	P	60.1	Low	61.7	Low	104 Å²	104	83.9 Å²	83.9	68%	0.675	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.9	178	22.5	-32.2	0	0	0	112.6	Q68 H70	Q68-P72 WeakPolarHBondContact O-CA 3.46Å; Q68-P72 VanDerWaalsContact O-N 3.08Å; H70-P72 WeakPolarHBondContact O-CD 3.48Å
73	D	54.2	Low	58.9	Low	146 Å²	146	87 Å²	87	78%	0.781	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	8.1	175.7	-63.6	-33.6	0	0	0	114.4	F71 Y75	F71-D73 PolarHBondContact O-N 3.21Å; F71-D73 VanDerWaalsContact O-N 3.11Å; D73-Y75 PolarHBondContact O-N 3.36Å
74	S	43.2	Very low	56	Low	20 Å²	20	92.7 Å²	92.7	14%	0.14	46%	0.461	C	S	.	.			trans	-79.7	121.7	-173	-162	0	0	0	0	114.9	Y67 F71 I76	Y67-S74 WeakPolarHBondContact CE1-OG 3.32Å; Y67-S74 PolarHBondContact OH-OG 2.79Å; F71-S74 WeakPolarHBondContact O-CB 3.46Å; F71-S74 PolarHBondContact O-N 3.27Å; S74-I76 PolarHBondContact O-N 3.05Å
75	Y	43.7	Very low	53.4	Low	91 Å²	91	104.3 Å²	104.3	36%	0.357	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-53.8	-16.3	-171	-73.7	-97.6	0	0	0	117.1	D73 G77 P148 L149	D73-Y75 PolarHBondContact O-N 3.36Å; Y75-G77 VanDerWaalsContact C-N 3.31Å; Y75-G77 PolarHBondContact O-N 3.35Å; Y75-P148 HydrophobicContact CD1-CB 4.4Å; Y75-P148 HydrophobicContact CE1-CB 3.57Å; Y75-P148 HydrophobicContact CE1-CG 4.05Å; Y75-P148 WeakPolarHBondContact OH-CD 3.17Å; Y75-P148 WeakPolarHBondContact OH-CG 3.33Å; Y75-L149 HydrophobicContact CD1-CB 4.04Å; Y75-L149 HydrophobicContact CD1-CD1 3.59Å; Y75-L149 HydrophobicContact CD1-CG 4.45Å; Y75-L149 HydrophobicContact CE1-CB 4Å; Y75-L149 HydrophobicContact CE1-CD1 4.35Å; Y75-L149 HydrophobicContact CG-CD1 4.41Å
76	I	39.9	Very low	50.5	Low	30 Å²	30	107.2 Å²	107.2	15%	0.154	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-68.1	-26.1	-170.4	-52.6	174.8	0	0	0	113.1	L42 L64 Y67 S74 K78	L42-I76 WeakPolarHBondContact O-CD1 3.28Å; L64-I76 HydrophobicContact CD2-CD1 4.42Å; L64-I76 HydrophobicContact CD2-CG2 4.14Å; Y67-I76 HydrophobicContact CD1-CD1 3.91Å; Y67-I76 HydrophobicContact CE1-CD1 3.42Å; Y67-I76 VanDerWaalsContact CE1-CD1 3.42Å; Y67-I76 HydrophobicContact CE1-CG1 4.2Å; S74-I76 PolarHBondContact O-N 3.05Å; I76-K78 VanDerWaalsContact C-N 3.3Å; I76-K78 PolarHBondContact O-N 3.16Å
77	G	35.7	Very low	47.7	Very low	28 Å²	28	109.5 Å²	109.5	29%	0.289	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-60.5	-32.6	-171.3	0	0	0	0	0	115.2	Y75	Y75-G77 VanDerWaalsContact C-N 3.31Å; Y75-G77 PolarHBondContact O-N 3.35Å
78	K	37.3	Very low	45.2	Very low	173 Å²	173	120.5 Å²	120.5	75%	0.752	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-101.3	-8.6	-165	-68.5	-178.7	178.7	176.1	0	115.6	I76 R80 L149	I76-K78 VanDerWaalsContact C-N 3.3Å; I76-K78 PolarHBondContact O-N 3.16Å; K78-R80 PolarHBondContact O-N 3.41Å; K78-R80 VanDerWaalsContact O-N 3.08Å; K78-L149 HydrophobicContact CB-CD2 4.28Å; K78-L149 HydrophobicContact CD-CD2 3.77Å
79	L	34	Very low	43	Very low	109 Å²	109	126.3 Å²	126.3	57%	0.571	61%	0.609	S	S	*	*			trans	-73.6	1.6	-178.3	-139.7	84.9	0	0	0	114.4	Q81	L79-Q81 PolarHBondContact O-N 3.1Å
80	R	38.6	Very low	41	Very low	119 Å²	119	130.5 Å²	130.5	45%	0.449	62%	0.623	S	S	.	*			trans	-85.4	12.2	-153.6	-132.7	-176.4	-75.6	-149.9	5.8	116.6	E47 K78	E47-R80 WeakPolarHBondContact OE1-CD 3.37Å; E47-R80 IonicContact OE1-CZ 3.67Å; E47-R80 VanDerWaalsContact OE1-CZ 3.26Å; E47-R80 IonicContact OE1-NE 3.45Å; E47-R80 PolarHBondContact OE1-NE 3.41Å; E47-R80 IonicContact OE1-NH1 2.7Å; E47-R80 PolarHBondContact OE1-NH1 3.47Å; K78-R80 PolarHBondContact O-N 3.41Å; K78-R80 VanDerWaalsContact O-N 3.08Å
81	Q	30.3	Very low	38.9	Very low	181 Å²	181	130.1 Å²	130.1	85%	0.846	63%	0.628	S	S	*	*			trans	-135.2	45.5	-168	-107.6	-167.5	9.9	0	0	116.7	L79	L79-Q81 PolarHBondContact O-N 3.1Å
82	V	30.2	Very low	36.9	Very low	103 Å²	103	136.9 Å²	136.9	62%	0.624	66%	0.658	S	S	*	*			trans	-144.4	117.5	162.3	-167.1	0	0	0	0	112.2
83	H	31.5	Very low	35.9	Very low	178 Å²	178	136.2 Å²	136.2	82%	0.824	65%	0.652	S	S	*	*			trans	-78.5	149.7	-177.1	-82.3	68.5	0	0	0	113.7
84	P	31.9	Very low	35.6	Very low	123 Å²	123	133 Å²	133	80%	0.799	65%	0.652	S	S	*	*			trans	-86.3	143	-177.5	30.8	-31.1	0	0	0	114.5
85	R	31.1	Very low	36.4	Very low	254 Å²	254	135.6 Å²	135.6	96%	0.958	66%	0.662	S	S	*	*			trans	-107	145.4	163.7	-80.8	-174	166.5	166.1	-2.8	110.6
86	K	26.9	Very low	38	Very low	220 Å²	220	131.9 Å²	131.9	96%	0.957	65%	0.648	S	S	*	*			trans	-84.7	127.5	-170.1	-65	175.9	176.9	177.6	0	112
87	G	28.9	Very low	40.1	Very low	63 Å²	63	132.7 Å²	132.7	65%	0.649	65%	0.653	S	S	*	*			trans	-180	124.2	167.1	0	0	0	0	0	114.4
88	R	31.1	Very low	42.5	Very low	239 Å²	239	131.7 Å²	131.7	90%	0.902	64%	0.641	S	S	*	*			trans	59.8	146.2	172.7	-81.4	-179.9	166.1	176.4	-4.6	120	Y90	R88-Y90 PolarHBondContact O-N 3.07Å
89	K	34.2	Very low	44.8	Very low	199 Å²	199	126.8 Å²	126.8	87%	0.865	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	1.8	-155.2	-75	-177.9	178.1	175.8	0	117.1
90	Y	39.1	Very low	47.3	Very low	228 Å²	228	123.8 Å²	123.8	89%	0.894	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-6.7	-178.4	-74.9	-79.8	0	0	0	115.1	R88	R88-Y90 PolarHBondContact O-N 3.07Å
91	S	37.7	Very low	49.6	Very low	62 Å²	62	125.1 Å²	125.1	43%	0.434	63%	0.626	S	S	.	*			trans	-119	65.3	175.1	68.2	0	0	0	0	111.2
92	K	35	Very low	52.4	Low	205 Å²	205	117.2 Å²	117.2	89%	0.891	59%	0.59	S	S	*	*			trans	-84.9	-10.7	172.1	-106.2	-168.9	178.3	-173	0	113.9
93	T	39	Very low	55.4	Low	90 Å²	90	113 Å²	113	55%	0.552	56%	0.564	S	S	*	*			trans	-108.2	116.7	168.2	55.2	0	0	0	0	107.5	Q95	T93-Q95 PolarHBondContact O-N 3.18Å
94	G	48.2	Very low	58.3	Low	77 Å²	77	107.5 Å²	107.5	79%	0.794	55%	0.546	S	S	*	.			trans	-68.8	16.4	169.4	0	0	0	0	0	113.1
95	Q	61	Low	61.2	Low	75 Å²	75	105 Å²	105	35%	0.35	53%	0.525	S	S	.	.			trans	-98.2	105.4	-176.4	-70.6	173.7	-3.4	0	0	107.7	D49 T93 I97	D49-Q95 PolarHBondContact OD1-NE2 3.22Å; D49-Q95 PolarHBondContact OD2-NE2 3.23Å; D49-Q95 VanDerWaalsContact OD2-NE2 3.15Å; T93-Q95 PolarHBondContact O-N 3.18Å; Q95-I97 PolarHBondContact O-N 2.97Å
96	H	75.8	Confident	64.1	Low	13 Å²	13	95.7 Å²	95.7	6%	0.06	50%	0.499	C	S	.	.			trans	-74.7	4.8	169	59.2	-81.5	0	0	0	111.5	H159 G171 V172	H96-H159 HydrophobicContact CB-CB 3.84Å; H96-G171 CarbonylContact O-C 3.57Å; H96-G171 WeakPolarHBondContact O-CA 3.14Å; H96-V172 PolarHBondContact O-N 3.27Å
97	I	84.1	Confident	67.2	Low	48 Å²	48	91.3 Å²	91.3	25%	0.246	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-97.6	122.8	179.6	-57.8	176.5	0	0	0	108.3	F44 Q95 V172 L174	F44-I97 HydrophobicContact CD1-CD1 4Å; F44-I97 HydrophobicContact CD1-CG2 4.33Å; Q95-I97 PolarHBondContact O-N 2.97Å; I97-V172 CarbonylContact C-O 3.54Å; I97-V172 WeakPolarHBondContact CA-O 3.48Å; I97-V172 HydrophobicContact CG1-CG2 3.99Å; I97-L174 HydrophobicContact CD1-CD1 3.86Å; I97-L174 HydrophobicContact CG1-CD1 4.02Å; I97-L174 HydrophobicContact CG2-CD1 4.13Å
98	I	86.5	Confident	70.3	Confident	7 Å²	7	92.3 Å²	92.3	4%	0.036	47%	0.469	C	S	.	.			trans	-104	127.6	-178.9	-63.7	171.7	0	0	0	108.2	S102 I103 W122 V172 V173 V182	I98-S102 WeakPolarHBondContact CG2-OG 3.35Å; I98-I103 HydrophobicContact CG2-CD1 4.01Å; I98-I103 HydrophobicContact CG2-CG1 3.83Å; I98-W122 HydrophobicContact CD1-CD2 4.5Å; I98-W122 HydrophobicContact CD1-CH2 4.47Å; I98-W122 HydrophobicContact CD1-CZ2 4.17Å; I98-W122 HydrophobicContact CG1-CZ2 4.21Å; I98-V172 PolarHBondContact N-O 3.27Å; I98-V173 HydrophobicContact CB-CG2 3.94Å; I98-V173 HydrophobicContact CG2-CG2 4.04Å; I98-V182 HydrophobicContact CD1-CB 3.78Å; I98-V182 HydrophobicContact CD1-CG1 4.16Å; I98-V182 HydrophobicContact CD1-CG2 3.87Å
99	P	86.5	Confident	73	Confident	70 Å²	70	82.9 Å²	82.9	46%	0.455	44%	0.437	S	S	.	.			trans	-59.3	140.9	175.8	-23.1	33.2	0	0	0	111.9	E101 S102	P99-E101 VanDerWaalsContact C-N 3.3Å; P99-E101 HydrophobicContact CB-CG 4.11Å; P99-E101 PolarHBondContact O-N 2.86Å; P99-S102 WeakPolarHBondContact O-CB 3.42Å; P99-S102 PolarHBondContact O-N 3.08Å; P99-S102 VanDerWaalsContact O-N 3.08Å; P99-S102 PolarHBondContact O-OG 3.13Å
100	S	86.3	Confident	75.5	Confident	46 Å²	46	74.9 Å²	74.9	32%	0.322	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-61.3	-38.8	-174.2	70.9	0	0	0	0	113.9	S102 I103 N175	S100-S102 PolarHBondContact O-N 3.02Å; S100-I103 PolarHBondContact O-N 2.9Å; S100-N175 WeakPolarHBondContact CB-OD1 3.06Å
101	E	87.5	Confident	77.6	Confident	146 Å²	146	68.6 Å²	68.6	68%	0.682	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-67.1	-20.3	178.4	56.4	-90.5	-148.4	0	0	112.9	P99 I103	P99-E101 VanDerWaalsContact C-N 3.3Å; P99-E101 HydrophobicContact CB-CG 4.11Å; P99-E101 PolarHBondContact O-N 2.86Å; E101-I103 VanDerWaalsContact C-N 3.31Å
102	S	88.6	Confident	79.3	Confident	15 Å²	15	67.8 Å²	67.8	11%	0.105	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-80.7	-13.7	177.1	75.5	0	0	0	0	112.9	I98 P99 S100 W122 S123	I98-S102 WeakPolarHBondContact CG2-OG 3.35Å; P99-S102 WeakPolarHBondContact O-CB 3.42Å; P99-S102 PolarHBondContact O-N 3.08Å; P99-S102 VanDerWaalsContact O-N 3.08Å; P99-S102 PolarHBondContact O-OG 3.13Å; S100-S102 PolarHBondContact O-N 3.02Å; S102-W122 WeakPolarHBondContact O-CA 3.45Å; S102-S123 WeakPolarHBondContact CB-O 3.44Å; S102-S123 PolarHBondContact O-N 3.11Å
103	I	91.7	Very high	81	Confident	15 Å²	15	62.7 Å²	62.7	8%	0.077	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.3	179.4	-61.3	-59.5	0	0	0	110.3	I98 S100 E101 L105 I121 W122 V134 V136 V173 V182	I98-I103 HydrophobicContact CG2-CD1 4.01Å; I98-I103 HydrophobicContact CG2-CG1 3.83Å; S100-I103 PolarHBondContact O-N 2.9Å; E101-I103 VanDerWaalsContact C-N 3.31Å; I103-L105 HydrophobicContact CG2-CD2 4.22Å; I103-I121 WeakPolarHBondContact CA-O 3.02Å; I103-W122 HydrophobicContact CD1-CB 3.5Å; I103-W122 HydrophobicContact CD1-CG 3.59Å; I103-V134 HydrophobicContact CD1-CG2 4.44Å; I103-V136 HydrophobicContact CG2-CG2 3.99Å; I103-V173 HydrophobicContact CG1-CG2 3.72Å; I103-V182 HydrophobicContact CD1-CG1 4.14Å; I103-V182 HydrophobicContact CD1-CG2 4.21Å; I103-V182 HydrophobicContact CG1-CG2 4.37Å
104	S	92.7	Very high	82.5	Confident	62 Å²	62	63 Å²	63	43%	0.434	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.6	168.2	-61.8	0	0	0	0	109.9	G120 I121	S104-G120 CarbonylContact O-C 3.58Å; S104-G120 WeakPolarHBondContact O-CA 3.49Å; S104-I121 PolarHBondContact N-O 3.25Å; S104-I121 PolarHBondContact O-N 3.42Å
105	L	93.1	Very high	84.1	Confident	70 Å²	70	59.6 Å²	59.6	37%	0.366	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133	173.4	-62.4	179	0	0	0	109.9	I103 W118 V136 M180	I103-L105 HydrophobicContact CG2-CD2 4.22Å; L105-W118 HydrophobicContact CB-CE3 4.27Å; L105-W118 HydrophobicContact CD2-CB 3.93Å; L105-W118 HydrophobicContact CD2-CG 4.27Å; L105-V136 HydrophobicContact CD2-CB 3.82Å; L105-V136 HydrophobicContact CD2-CG1 3.73Å; L105-V136 HydrophobicContact CD2-CG2 4.07Å; L105-M180 HydrophobicContact CD1-SD 4.36Å; L105-M180 HydrophobicContact CD2-SD 4.36Å
106	C	92.6	Very high	85.4	Confident	60 Å²	60	56.6 Å²	56.6	41%	0.405	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-114.8	-179.9	-59.5	0	0	0	0	109.3	W118 Q119	C106-W118 WeakPolarHBondContact O-CZ3 3.24Å; C106-Q119 WeakPolarHBondContact CA-O 3.4Å; C106-Q119 WeakPolarHBondContact CB-O 3.46Å; C106-Q119 PolarHBondContact N-O 3.07Å
107	Q	92.7	Very high	86.2	Confident	127 Å²	127	58.2 Å²	58.2	59%	0.593	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.7	-178.7	-172.8	-177.6	19.4	0	0	111.7	L109 W118 Q119	Q107-L109 PolarHBondContact O-N 3.19Å; Q107-W118 CarbonylContact O-C 3.43Å; Q107-W118 WeakPolarHBondContact O-CA 3.42Å; Q107-Q119 PolarHBondContact O-N 3.25Å
108	Q	93.3	Very high	86.7	Confident	84 Å²	84	59 Å²	59	39%	0.393	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.2	167.1	-170.3	175	-1.5	0	0	110.2	G110 W118	Q108-G110 PolarHBondContact NE2-O 2.94Å; Q108-G110 VanDerWaalsContact NE2-O 3.14Å; Q108-W118 HydrophobicContact CB-CD2 3.96Å; Q108-W118 HydrophobicContact CB-CE3 3.92Å; Q108-W118 HydrophobicContact CB-CH2 3.97Å; Q108-W118 HydrophobicContact CB-CZ2 4.01Å; Q108-W118 HydrophobicContact CB-CZ3 3.93Å; Q108-W118 HydrophobicContact CG-CD2 4.22Å; Q108-W118 HydrophobicContact CG-CZ2 4.13Å
109	L	88.3	Confident	87.1	Confident	41 Å²	41	60.5 Å²	60.5	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-30	179.3	-58	-171.1	0	0	0	112.5	Q107 V117 Q119 L185 R189	Q107-L109 PolarHBondContact O-N 3.19Å; L109-V117 HydrophobicContact CB-CG1 4.3Å; L109-V117 HydrophobicContact CD1-CG1 4.38Å; L109-V117 PolarHBondContact N-O 3Å; L109-Q119 HydrophobicContact CD1-CB 4.19Å; L109-Q119 HydrophobicContact CD2-CB 3.69Å; L109-Q119 HydrophobicContact CG-CB 4.06Å; L109-L185 HydrophobicContact CD1-CD1 3.64Å; L109-R189 VanDerWaalsContact CB-NH1 3.31Å; L109-R189 VanDerWaalsContact CD2-NH1 3.26Å
110	G	85.6	Confident	87.5	Confident	31 Å²	31	57.2 Å²	57.2	32%	0.32	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	168.1	178.9	0	0	0	0	0	112.7	Q108 V117	Q108-G110 PolarHBondContact NE2-O 2.94Å; Q108-G110 VanDerWaalsContact NE2-O 3.14Å; G110-V117 PolarHBondContact N-O 3.37Å; G110-V117 VanDerWaalsContact N-O 3.17Å; G110-V117 PolarHBondContact O-N 3.06Å
111	C	84.1	Confident	87.9	Confident	97 Å²	97	57.8 Å²	57.8	66%	0.655	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.2	173.2	-160.2	0	0	0	0	108.5
112	G	73.7	Confident	88.1	Confident	45 Å²	45	52.9 Å²	52.9	46%	0.464	30%	0.296	S	S	.	.			trans	-99.3	-178.4	170.2	0	0	0	0	0	111.4	F114 A115	G112-F114 VanDerWaalsContact C-N 3.33Å; G112-F114 PolarHBondContact O-N 3.37Å; G112-A115 WeakPolarHBondContact CA-O 3.26Å; G112-A115 PolarHBondContact N-O 2.79Å
113	E	69.6	Low	88.1	Confident	97 Å²	97	53.5 Å²	53.5	45%	0.453	30%	0.3	S	S	.	.	S	Bend	trans	-64.5	-34.6	179.6	-177.8	176.4	179	0	0	113	K273	E113-K273 IonicContact OE1-NZ 2.75Å; E113-K273 PolarHBondContact OE1-NZ 3.38Å; E113-K273 IonicContact OE2-NZ 3.06Å; E113-K273 PolarHBondContact OE2-NZ 3.12Å
114	F	70.3	Confident	87.3	Confident	96 Å²	96	57.1 Å²	57.1	42%	0.421	32%	0.318	S	S	.	.	S	Bend	trans	-106.9	-17.8	-172.8	-55.8	-79.6	0	0	0	113.9	G112 L140	G112-F114 VanDerWaalsContact C-N 3.33Å; G112-F114 PolarHBondContact O-N 3.37Å; F114-L140 PolarHBondContact O-N 3.01Å
115	A	82.2	Confident	86.1	Confident	6 Å²	6	56.1 Å²	56.1	5%	0.05	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	152.5	-171.5	0	0	0	0	0	112	G112 K137 K138 I139	G112-A115 WeakPolarHBondContact CA-O 3.26Å; G112-A115 PolarHBondContact N-O 2.79Å; A115-K137 HydrophobicContact CB-CD 4.42Å; A115-K137 HydrophobicContact CB-CG 3.6Å; A115-K138 VanDerWaalsContact CA-O 3.25Å; A115-K138 WeakPolarHBondContact CA-O 3.24Å; A115-K138 WeakPolarHBondContact CB-O 3.25Å; A115-I139 HydrophobicContact CB-CD1 3.98Å
116	S	89.5	Confident	84.7	Confident	13 Å²	13	61.2 Å²	61.2	9%	0.091	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.2	164.3	55.5	0	0	0	0	109.6	W118 K137 K138	S116-W118 PolarHBondContact OG-NE1 3.26Å; S116-K137 CarbonylContact O-C 3.4Å; S116-K137 WeakPolarHBondContact O-CA 3.46Å; S116-K138 PolarHBondContact N-O 3.33Å; S116-K138 PolarHBondContact O-N 3.49Å
117	V	91.6	Very high	83.1	Confident	47 Å²	47	67.7 Å²	67.7	29%	0.285	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.1	178.8	-175.5	0	0	0	0	108.3	L109 G110 V136 K137	L109-V117 HydrophobicContact CB-CG1 4.3Å; L109-V117 HydrophobicContact CD1-CG1 4.38Å; L109-V117 PolarHBondContact N-O 3Å; G110-V117 PolarHBondContact N-O 3.37Å; G110-V117 VanDerWaalsContact N-O 3.17Å; G110-V117 PolarHBondContact O-N 3.06Å; V117-V136 WeakPolarHBondContact CA-O 3.41Å; V117-K137 HydrophobicContact CG2-CB 4.41Å; V117-K137 HydrophobicContact CG2-CG 4.23Å
118	W	94.5	Very high	81.4	Confident	64 Å²	64	66 Å²	66	24%	0.242	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.5	-176.7	-65.5	74.6	0	0	0	110	L105 C106 Q107 Q108 S116 A135 V136	L105-W118 HydrophobicContact CB-CE3 4.27Å; L105-W118 HydrophobicContact CD2-CB 3.93Å; L105-W118 HydrophobicContact CD2-CG 4.27Å; C106-W118 WeakPolarHBondContact O-CZ3 3.24Å; Q107-W118 CarbonylContact O-C 3.43Å; Q107-W118 WeakPolarHBondContact O-CA 3.42Å; Q108-W118 HydrophobicContact CB-CD2 3.96Å; Q108-W118 HydrophobicContact CB-CE3 3.92Å; Q108-W118 HydrophobicContact CB-CH2 3.97Å; Q108-W118 HydrophobicContact CB-CZ2 4.01Å; Q108-W118 HydrophobicContact CB-CZ3 3.93Å; Q108-W118 HydrophobicContact CG-CD2 4.22Å; Q108-W118 HydrophobicContact CG-CZ2 4.13Å; S116-W118 PolarHBondContact OG-NE1 3.26Å; W118-A135 CarbonylContact O-C 3.55Å; W118-A135 WeakPolarHBondContact O-CA 3.41Å; W118-V136 HydrophobicContact CB-CB 4.36Å; W118-V136 PolarHBondContact N-O 3.42Å; W118-V136 PolarHBondContact O-N 2.88Å
119	Q	94.9	Very high	79.9	Confident	39 Å²	39	69 Å²	69	18%	0.182	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.3	157.9	179.8	171.9	0.6	0	0	106.9	C106 Q107 L109 Q133 L185	C106-Q119 WeakPolarHBondContact CA-O 3.4Å; C106-Q119 WeakPolarHBondContact CB-O 3.46Å; C106-Q119 PolarHBondContact N-O 3.07Å; Q107-Q119 PolarHBondContact O-N 3.25Å; L109-Q119 HydrophobicContact CD1-CB 4.19Å; L109-Q119 HydrophobicContact CD2-CB 3.69Å; L109-Q119 HydrophobicContact CG-CB 4.06Å; Q119-Q133 VanDerWaalsContact NE2-OE1 3.14Å; Q119-L185 HydrophobicContact CG-CD2 3.89Å
120	G	94.7	Very high	79.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	171.4	176.1	0	0	0	0	0	111.9	S104 Q133 V134	S104-G120 CarbonylContact O-C 3.58Å; S104-G120 WeakPolarHBondContact O-CA 3.49Å; G120-Q133 WeakPolarHBondContact O-CA 3.21Å; G120-V134 PolarHBondContact N-O 2.82Å; G120-V134 WeakPolarHBondContact O-CG2 3.49Å; G120-V134 PolarHBondContact O-N 2.86Å
121	I	94.1	Very high	79.6	Confident	58 Å²	58	74.9 Å²	74.9	30%	0.297	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124	171.4	-61.2	170.5	0	0	0	107.2	I103 S104 K131 I132	I103-I121 WeakPolarHBondContact CA-O 3.02Å; S104-I121 PolarHBondContact N-O 3.25Å; S104-I121 PolarHBondContact O-N 3.42Å; I121-K131 HydrophobicContact CG2-CB 3.89Å; I121-K131 HydrophobicContact CG2-CD 4.04Å; I121-K131 HydrophobicContact CG2-CG 4.11Å; I121-I132 WeakPolarHBondContact CA-O 3.2Å
122	W	92.4	Very high	79.9	Confident	43 Å²	43	72.8 Å²	72.8	16%	0.163	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.2	172.3	-178.8	26.8	0	0	0	110.1	I98 S102 I103 M124 K131 I132 V134 Y170	I98-W122 HydrophobicContact CD1-CD2 4.5Å; I98-W122 HydrophobicContact CD1-CH2 4.47Å; I98-W122 HydrophobicContact CD1-CZ2 4.17Å; I98-W122 HydrophobicContact CG1-CZ2 4.21Å; S102-W122 WeakPolarHBondContact O-CA 3.45Å; I103-W122 HydrophobicContact CD1-CB 3.5Å; I103-W122 HydrophobicContact CD1-CG 3.59Å; W122-M124 HydrophobicContact CD2-CG 4.16Å; W122-M124 HydrophobicContact CE3-CE 3.97Å; W122-M124 HydrophobicContact CE3-CG 4.39Å; W122-M124 HydrophobicContact CH2-CE 4.45Å; W122-M124 HydrophobicContact CH2-CG 4.37Å; W122-M124 HydrophobicContact CZ2-CG 4.17Å; W122-M124 HydrophobicContact CZ3-CE 3.87Å; W122-M124 HydrophobicContact CZ3-CG 4.47Å; W122-K131 WeakPolarHBondContact O-CA 3.35Å; W122-I132 HydrophobicContact CB-CG1 4.23Å; W122-I132 HydrophobicContact CE3-CD1 3.87Å; W122-I132 HydrophobicContact CE3-CG1 4.18Å; W122-I132 HydrophobicContact CZ3-CD1 4.34Å; W122-I132 PolarHBondContact N-O 3.44Å; W122-I132 PolarHBondContact O-N 3.27Å; W122-V134 HydrophobicContact CB-CG1 3.75Å; W122-V134 HydrophobicContact CB-CG2 4.12Å; W122-V134 HydrophobicContact CE3-CG1 4.38Å; W122-Y170 HydrophobicContact CE3-CD1 4.47Å; W122-Y170 HydrophobicContact CE3-CD2 4.12Å; W122-Y170 HydrophobicContact CE3-CG 4Å; W122-Y170 AromaticContact CZ3-CD1 3.71Å; W122-Y170 HydrophobicContact CZ3-CD1 3.71Å; W122-Y170 HydrophobicContact CZ3-CD2 4.14Å; W122-Y170 HydrophobicContact CZ3-CE1 4.39Å; W122-Y170 AromaticContact CZ3-CG 3.57Å; W122-Y170 HydrophobicContact CZ3-CG 3.57Å
123	S	88.9	Confident	80.9	Confident	28 Å²	28	76.4 Å²	76.4	20%	0.196	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.1	176.1	-51.4	0	0	0	0	109.1	S102 S125	S102-S123 WeakPolarHBondContact CB-O 3.44Å; S102-S123 PolarHBondContact O-N 3.11Å; S123-S125 VanDerWaalsContact C-N 3.31Å; S123-S125 PolarHBondContact O-N 3.02Å
124	M	74.5	Confident	82.1	Confident	91 Å²	91	71.8 Å²	71.8	45%	0.448	36%	0.358	S	S	.	.	S	Bend	trans	-75.6	-22.4	-174.6	-61.1	-176.3	-164.3	0	0	113.2	W122 D130 I132	W122-M124 HydrophobicContact CD2-CG 4.16Å; W122-M124 HydrophobicContact CE3-CE 3.97Å; W122-M124 HydrophobicContact CE3-CG 4.39Å; W122-M124 HydrophobicContact CH2-CE 4.45Å; W122-M124 HydrophobicContact CH2-CG 4.37Å; W122-M124 HydrophobicContact CZ2-CG 4.17Å; W122-M124 HydrophobicContact CZ3-CE 3.87Å; W122-M124 HydrophobicContact CZ3-CG 4.47Å; M124-D130 HydrophobicContact CB-CB 4.23Å; M124-D130 PolarHBondContact N-O 3.49Å; M124-I132 HydrophobicContact CE-CB 4.39Å; M124-I132 HydrophobicContact CE-CD1 3.34Å; M124-I132 HydrophobicContact CE-CG1 3.6Å; M124-I132 HydrophobicContact CE-CG2 3.91Å
125	S	68.8	Low	83.3	Confident	41 Å²	41	67.8 Å²	67.8	29%	0.287	34%	0.342	S	S	.	.	S	Bend	trans	-137.5	159.9	177.9	71.8	0	0	0	0	110.2	S123 R127 D130	S123-S125 VanDerWaalsContact C-N 3.31Å; S123-S125 PolarHBondContact O-N 3.02Å; S125-R127 PolarHBondContact O-N 2.63Å; S125-R127 VanDerWaalsContact O-N 3.11Å; S125-R127 PolarHBondContact OG-N 3.22Å; S125-R127 PolarHBondContact OG-O 2.9Å; S125-D130 PolarHBondContact OG-OD2 2.72Å
126	D	62.4	Low	83.9	Confident	178 Å²	178	67.5 Å²	67.5	95%	0.952	34%	0.34	S	S	*	.	S	Bend	trans	-65	-9.6	173	-154.8	16.5	0	0	0	111.8
127	R	58.6	Low	84	Confident	195 Å²	195	69.1 Å²	69.1	74%	0.736	35%	0.345	S	S	*	.	S	Bend	trans	-84.7	123.5	172.8	-55.1	-174.8	-168.3	-153.4	2.4	108.1	S125 I129 D130	S125-R127 PolarHBondContact O-N 2.63Å; S125-R127 VanDerWaalsContact O-N 3.11Å; S125-R127 PolarHBondContact OG-N 3.22Å; S125-R127 PolarHBondContact OG-O 2.9Å; R127-I129 PolarHBondContact O-N 3.28Å; R127-D130 PolarHBondContact O-N 2.78Å
128	S	57.2	Low	83.8	Confident	92 Å²	92	70.2 Å²	70.2	64%	0.643	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-8.5	-175.5	57.6	0	0	0	0	116.6
129	I	63	Low	83.3	Confident	146 Å²	146	67.3 Å²	67.3	75%	0.749	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-29.6	-171.8	-57.1	174	0	0	0	111.7	R127 K131	R127-I129 PolarHBondContact O-N 3.28Å; I129-K131 PolarHBondContact O-N 2.84Å
130	D	79.6	Confident	82.3	Confident	81 Å²	81	68.5 Å²	68.5	43%	0.433	34%	0.343	S	S	.	.			trans	-96.5	59.2	-174.6	-56.6	-40.3	0	0	0	112	M124 S125 R127	M124-D130 HydrophobicContact CB-CB 4.23Å; M124-D130 PolarHBondContact N-O 3.49Å; S125-D130 PolarHBondContact OG-OD2 2.72Å; R127-D130 PolarHBondContact O-N 2.78Å
131	K	86.4	Confident	81	Confident	116 Å²	116	72.3 Å²	72.3	50%	0.504	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.6	176.9	-69.7	-177.2	179.3	-174.7	0	110.9	I121 W122 I129	I121-K131 HydrophobicContact CG2-CB 3.89Å; I121-K131 HydrophobicContact CG2-CD 4.04Å; I121-K131 HydrophobicContact CG2-CG 4.11Å; W122-K131 WeakPolarHBondContact O-CA 3.35Å; I129-K131 PolarHBondContact O-N 2.84Å
132	I	91.7	Very high	79.7	Confident	52 Å²	52	77.5 Å²	77.5	27%	0.267	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.2	173.3	65.4	163	0	0	0	111.4	I121 W122 M124 V134 Y170	I121-I132 WeakPolarHBondContact CA-O 3.2Å; W122-I132 HydrophobicContact CB-CG1 4.23Å; W122-I132 HydrophobicContact CE3-CD1 3.87Å; W122-I132 HydrophobicContact CE3-CG1 4.18Å; W122-I132 HydrophobicContact CZ3-CD1 4.34Å; W122-I132 PolarHBondContact N-O 3.44Å; W122-I132 PolarHBondContact O-N 3.27Å; M124-I132 HydrophobicContact CE-CB 4.39Å; M124-I132 HydrophobicContact CE-CD1 3.34Å; M124-I132 HydrophobicContact CE-CG1 3.6Å; M124-I132 HydrophobicContact CE-CG2 3.91Å; I132-V134 HydrophobicContact CD1-CG1 4.03Å; I132-V134 HydrophobicContact CG1-CG1 3.98Å; I132-Y170 HydrophobicContact CD1-CE1 4.36Å; I132-Y170 HydrophobicContact CD1-CE2 3.78Å
133	Q	93.4	Very high	78.3	Confident	121 Å²	121	78.8 Å²	78.8	57%	0.565	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.7	170.2	-63.4	-169.1	4.8	0	0	110.1	Q119 G120 L185	Q119-Q133 VanDerWaalsContact NE2-OE1 3.14Å; G120-Q133 WeakPolarHBondContact O-CA 3.21Å; Q133-L185 HydrophobicContact CB-CD2 3.91Å
134	V	95.9	Very high	77	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.7	-176.7	-65	0	0	0	0	110.6	I103 G120 W122 I132 V136 Y170 V182 T183	I103-V134 HydrophobicContact CD1-CG2 4.44Å; G120-V134 PolarHBondContact N-O 2.82Å; G120-V134 WeakPolarHBondContact O-CG2 3.49Å; G120-V134 PolarHBondContact O-N 2.86Å; W122-V134 HydrophobicContact CB-CG1 3.75Å; W122-V134 HydrophobicContact CB-CG2 4.12Å; W122-V134 HydrophobicContact CE3-CG1 4.38Å; I132-V134 HydrophobicContact CD1-CG1 4.03Å; I132-V134 HydrophobicContact CG1-CG1 3.98Å; V134-V136 HydrophobicContact CG2-CG2 3.75Å; V134-Y170 HydrophobicContact CG1-CD2 3.88Å; V134-Y170 HydrophobicContact CG1-CE2 3.83Å; V134-V182 HydrophobicContact CB-CG1 3.73Å; V134-V182 HydrophobicContact CG1-CG1 3.89Å; V134-V182 HydrophobicContact CG2-CG1 3.87Å; V134-T183 WeakPolarHBondContact CA-O 3.34Å; V134-T183 WeakPolarHBondContact CB-O 3.41Å
135	A	95.6	Very high	76.1	Confident	12 Å²	12	82.8 Å²	82.8	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.7	162.9	0	0	0	0	0	108.6	W118 V182 T183 L185	W118-A135 CarbonylContact O-C 3.55Å; W118-A135 WeakPolarHBondContact O-CA 3.41Å; A135-V182 WeakPolarHBondContact O-CA 3.47Å; A135-T183 PolarHBondContact N-O 3.08Å; A135-T183 PolarHBondContact O-N 3.47Å; A135-L185 HydrophobicContact CB-CD1 4Å
136	V	93.9	Very high	75.5	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	106.9	-177	-172.2	0	0	0	0	108.8	I103 L105 V117 W118 V134 M180 L181	I103-V136 HydrophobicContact CG2-CG2 3.99Å; L105-V136 HydrophobicContact CD2-CB 3.82Å; L105-V136 HydrophobicContact CD2-CG1 3.73Å; L105-V136 HydrophobicContact CD2-CG2 4.07Å; V117-V136 WeakPolarHBondContact CA-O 3.41Å; W118-V136 HydrophobicContact CB-CB 4.36Å; W118-V136 PolarHBondContact N-O 3.42Å; W118-V136 PolarHBondContact O-N 2.88Å; V134-V136 HydrophobicContact CG2-CG2 3.75Å; V136-M180 HydrophobicContact CG1-CB 3.67Å; V136-M180 HydrophobicContact CG1-CG 4.19Å; V136-M180 HydrophobicContact CG1-SD 3.81Å; V136-L181 CarbonylContact C-O 3.27Å; V136-L181 WeakPolarHBondContact CA-O 3.05Å
137	K	91.2	Very high	75.3	Confident	47 Å²	47	76.8 Å²	76.8	20%	0.204	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	102.9	176.2	-177.1	172.4	-175.8	172.6	0	108.4	A115 S116 V117 I139 M180 L181 D250 L253	A115-K137 HydrophobicContact CB-CD 4.42Å; A115-K137 HydrophobicContact CB-CG 3.6Å; S116-K137 CarbonylContact O-C 3.4Å; S116-K137 WeakPolarHBondContact O-CA 3.46Å; V117-K137 HydrophobicContact CG2-CB 4.41Å; V117-K137 HydrophobicContact CG2-CG 4.23Å; K137-I139 HydrophobicContact CG-CD1 4.38Å; K137-M180 CarbonylContact O-C 3.45Å; K137-M180 WeakPolarHBondContact O-CA 3.46Å; K137-L181 HydrophobicContact CB-CB 4.2Å; K137-L181 HydrophobicContact CD-CD1 4.26Å; K137-L181 PolarHBondContact N-O 2.92Å; K137-L181 PolarHBondContact O-N 3.27Å; K137-D250 IonicContact NZ-OD1 3.73Å; K137-D250 PolarHBondContact NZ-OD1 3.09Å; K137-D250 IonicContact NZ-OD2 3.34Å; K137-D250 PolarHBondContact NZ-OD2 3.16Å; K137-L253 HydrophobicContact CD-CD1 4.48Å
138	K	89.2	Confident	75.4	Confident	70 Å²	70	69.9 Å²	69.9	30%	0.304	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	113.1	179.8	-177.6	177.9	-177.1	-176.3	0	109.5	A115 S116 S178 M180	A115-K138 VanDerWaalsContact CA-O 3.25Å; A115-K138 WeakPolarHBondContact CA-O 3.24Å; A115-K138 WeakPolarHBondContact CB-O 3.25Å; S116-K138 PolarHBondContact N-O 3.33Å; S116-K138 PolarHBondContact O-N 3.49Å; K138-S178 VanDerWaalsContact CE-CB 3.47Å; K138-M180 HydrophobicContact CB-CG 4.09Å; K138-M180 HydrophobicContact CB-SD 4.47Å; K138-M180 HydrophobicContact CD-SD 4.48Å; K138-M180 HydrophobicContact CG-CG 4.02Å; K138-M180 HydrophobicContact CG-SD 4.39Å
139	I	83.2	Confident	75.3	Confident	4 Å²	4	67 Å²	67	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.3	177	-48.8	-55.9	0	0	0	109.1	A115 K137 M144 V179 L181	A115-I139 HydrophobicContact CB-CD1 3.98Å; K137-I139 HydrophobicContact CG-CD1 4.38Å; I139-M144 HydrophobicContact CB-SD 4.14Å; I139-M144 HydrophobicContact CG2-CG 4.26Å; I139-M144 HydrophobicContact CG2-SD 3.61Å; I139-V179 HydrophobicContact CB-CB 4.43Å; I139-V179 HydrophobicContact CG1-CB 4.44Å; I139-V179 HydrophobicContact CG1-CG1 4.49Å; I139-V179 PolarHBondContact N-O 3.31Å; I139-L181 HydrophobicContact CD1-CD1 4.19Å
140	L	73.6	Confident	75.2	Confident	63 Å²	63	63.4 Å²	63.4	33%	0.33	32%	0.319	S	S	.	.			trans	-72.4	130.8	177	-62.8	174.2	0	0	0	109.6	F114 E142 K143	F114-L140 PolarHBondContact O-N 3.01Å; L140-E142 PolarHBondContact O-N 3.15Å; L140-K143 HydrophobicContact CB-CG 4.34Å; L140-K143 PolarHBondContact O-N 3.36Å
141	P	68.5	Low	74.7	Confident	81 Å²	81	59.8 Å²	59.8	53%	0.526	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.7	-33.7	-174.5	15.1	-25.5	0	0	0	113.7	K143 M144	P141-K143 PolarHBondContact O-N 2.95Å; P141-M144 PolarHBondContact O-N 3.45Å
142	E	66.3	Low	74	Confident	166 Å²	166	55.3 Å²	55.3	78%	0.776	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-62.9	-18.8	176.9	-63	165.5	-158.1	0	0	114	L140	L140-E142 PolarHBondContact O-N 3.15Å
143	K	62.6	Low	72.9	Confident	70 Å²	70	58.4 Å²	58.4	30%	0.304	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-106.8	4.3	-174.9	-60.1	-63.5	-176.1	-179.9	0	113.4	L140 P141 H145	L140-K143 HydrophobicContact CB-CG 4.34Å; L140-K143 PolarHBondContact O-N 3.36Å; P141-K143 PolarHBondContact O-N 2.95Å; K143-H145 PolarHBondContact O-CD2 3.29Å; K143-H145 PolarHBondContact O-N 3.4Å
144	M	61.2	Low	71.8	Confident	56 Å²	56	54.1 Å²	54.1	28%	0.276	28%	0.275	S	S	.	.			trans	-74	74.6	172.8	-68.6	-70.3	-62.9	0	0	109.4	I139 P141 V179	I139-M144 HydrophobicContact CB-SD 4.14Å; I139-M144 HydrophobicContact CG2-CG 4.26Å; I139-M144 HydrophobicContact CG2-SD 3.61Å; P141-M144 PolarHBondContact O-N 3.45Å; M144-V179 HydrophobicContact CE-CB 4.23Å; M144-V179 HydrophobicContact CE-CG2 3.54Å; M144-V179 HydrophobicContact SD-CB 4.12Å; M144-V179 HydrophobicContact SD-CG2 3.98Å
145	H	56	Low	71	Confident	147 Å²	147	54.2 Å²	54.2	68%	0.681	28%	0.275	S	S	*	.			trans	-82.7	-22.1	178.1	-66.8	-70.5	0	0	0	113	K143	K143-H145 PolarHBondContact O-CD2 3.29Å; K143-H145 PolarHBondContact O-N 3.4Å
146	A	56.5	Low	70.2	Confident	17 Å²	17	54.8 Å²	54.8	14%	0.14	28%	0.28	C	S	.	.	S	Bend	trans	-80	149.9	-178.2	0	0	0	0	0	112	P148 A256	A146-P148 VanDerWaalsContact O-CD 3.29Å; A146-P148 WeakPolarHBondContact O-CD 3.33Å; A146-A256 WeakPolarHBondContact CB-O 3.24Å
147	N	57.6	Low	69.6	Low	76 Å²	76	58.1 Å²	58.1	41%	0.406	30%	0.297	S	S	.	.			trans	-55.9	121.5	165.2	-176	-11.8	0	0	0	108	L149 D150 F151	N147-L149 PolarHBondContact O-N 2.97Å; N147-L149 WeakPolarHBondContact OD1-CB 3.48Å; N147-L149 PolarHBondContact OD1-N 3.4Å; N147-L149 VanDerWaalsContact OD1-N 3.13Å; N147-D150 WeakPolarHBondContact CB-OD2 3.46Å; N147-D150 PolarHBondContact O-N 2.95Å; N147-F151 PolarHBondContact O-N 3.27Å
148	P	61	Low	69.3	Low	51 Å²	51	56.6 Å²	56.6	33%	0.331	29%	0.291	S	S	.	.	H	α-helix	trans	-53.7	-21.9	178.7	-24.5	31.1	0	0	0	113.3	Y75 A146 L152	Y75-P148 HydrophobicContact CD1-CB 4.4Å; Y75-P148 HydrophobicContact CE1-CB 3.57Å; Y75-P148 HydrophobicContact CE1-CG 4.05Å; Y75-P148 WeakPolarHBondContact OH-CD 3.17Å; Y75-P148 WeakPolarHBondContact OH-CG 3.33Å; A146-P148 VanDerWaalsContact O-CD 3.29Å; A146-P148 WeakPolarHBondContact O-CD 3.33Å; P148-L152 VanDerWaalsContact O-CG 3.26Å; P148-L152 WeakPolarHBondContact O-CG 3.37Å; P148-L152 PolarHBondContact O-N 3.3Å; P148-L152 VanDerWaalsContact O-N 3.09Å
149	L	55.5	Low	69.1	Low	30 Å²	30	54.9 Å²	54.9	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-44.1	175.1	-156.7	82.8	0	0	0	112.3	Y75 K78 N147 F151 L152 Q153	Y75-L149 HydrophobicContact CD1-CB 4.04Å; Y75-L149 HydrophobicContact CD1-CD1 3.59Å; Y75-L149 HydrophobicContact CD1-CG 4.45Å; Y75-L149 HydrophobicContact CE1-CB 4Å; Y75-L149 HydrophobicContact CE1-CD1 4.35Å; Y75-L149 HydrophobicContact CG-CD1 4.41Å; K78-L149 HydrophobicContact CB-CD2 4.28Å; K78-L149 HydrophobicContact CD-CD2 3.77Å; N147-L149 PolarHBondContact O-N 2.97Å; N147-L149 WeakPolarHBondContact OD1-CB 3.48Å; N147-L149 PolarHBondContact OD1-N 3.4Å; N147-L149 VanDerWaalsContact OD1-N 3.13Å; L149-F151 VanDerWaalsContact C-N 3.34Å; L149-L152 PolarHBondContact O-N 3.4Å; L149-Q153 PolarHBondContact O-N 3.13Å
150	D	60.9	Low	69.3	Low	71 Å²	71	61.8 Å²	61.8	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-67.8	-41.1	179.9	-60.5	-22.5	0	0	0	109.4	N147 L152 Q153 E154	N147-D150 WeakPolarHBondContact CB-OD2 3.46Å; N147-D150 PolarHBondContact O-N 2.95Å; D150-L152 PolarHBondContact O-N 3.09Å; D150-Q153 PolarHBondContact O-N 2.92Å; D150-E154 WeakPolarHBondContact O-CG 3.45Å; D150-E154 PolarHBondContact O-N 3.4Å
151	F	68.6	Low	70.1	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-56.6	-45.6	172.5	178.5	-88.4	0	0	0	112.6	N147 L149 E154 A155 V172 V179 L181 A256	N147-F151 PolarHBondContact O-N 3.27Å; L149-F151 VanDerWaalsContact C-N 3.34Å; F151-E154 PolarHBondContact O-N 3.15Å; F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 2.91Å; F151-V172 HydrophobicContact CE1-CB 4.33Å; F151-V172 HydrophobicContact CE1-CG1 3.76Å; F151-V172 HydrophobicContact CZ-CG1 4.15Å; F151-V179 HydrophobicContact CD1-CG1 4.24Å; F151-V179 HydrophobicContact CE1-CG1 3.31Å; F151-V179 HydrophobicContact CE2-CG1 4.09Å; F151-V179 HydrophobicContact CZ-CG1 3.21Å; F151-L181 HydrophobicContact CE1-CD2 4.46Å; F151-L181 HydrophobicContact CE2-CD2 4.01Å; F151-L181 HydrophobicContact CZ-CD2 3.47Å; F151-L181 VanDerWaalsContact CZ-CD2 3.47Å; F151-L181 HydrophobicContact CZ-CG 4.26Å; F151-A256 HydrophobicContact CD2-CB 3.88Å
152	L	72	Confident	71.2	Confident	22 Å²	22	60.2 Å²	60.2	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-70.1	-36.8	178.5	-69.7	176.2	0	0	0	113	P148 L149 D150 E154 A155 A156 V172 L174	P148-L152 VanDerWaalsContact O-CG 3.26Å; P148-L152 WeakPolarHBondContact O-CG 3.37Å; P148-L152 PolarHBondContact O-N 3.3Å; P148-L152 VanDerWaalsContact O-N 3.09Å; L149-L152 PolarHBondContact O-N 3.4Å; D150-L152 PolarHBondContact O-N 3.09Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 3.2Å; L152-A155 PolarHBondContact O-N 2.93Å; L152-A156 WeakPolarHBondContact O-CB 3.01Å; L152-A156 PolarHBondContact O-N 3.32Å; L152-V172 HydrophobicContact CD2-CG2 3.92Å; L152-L174 HydrophobicContact CD1-CD1 4.39Å; L152-L174 HydrophobicContact CD2-CD1 3.55Å; L152-L174 HydrophobicContact CD2-CD2 4.01Å; L152-L174 HydrophobicContact CD2-CG 4.34Å
153	Q	68.5	Low	72.7	Confident	117 Å²	117	54.2 Å²	54.2	55%	0.547	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-41.1	174.2	-179.9	170.3	-14.1	0	0	110.8	L149 D150 A156 I157	L149-Q153 PolarHBondContact O-N 3.13Å; D150-Q153 PolarHBondContact O-N 2.92Å; Q153-A156 WeakPolarHBondContact O-CB 3.47Å; Q153-A156 PolarHBondContact O-N 3.01Å; Q153-I157 WeakPolarHBondContact O-CG1 3.39Å; Q153-I157 PolarHBondContact O-N 2.83Å; Q153-I157 VanDerWaalsContact O-N 3.15Å
154	E	70.2	Confident	74.4	Confident	31 Å²	31	56.6 Å²	56.6	15%	0.145	28%	0.282	C	S	.	.	H	α-helix	trans	-70.2	-41.9	176.9	-72.3	-171	-148.2	0	0	113	D150 F151 L152 A156 I157 M158 G252 R255 A256	D150-E154 WeakPolarHBondContact O-CG 3.45Å; D150-E154 PolarHBondContact O-N 3.4Å; F151-E154 PolarHBondContact O-N 3.15Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 3.2Å; E154-A156 PolarHBondContact O-N 3.3Å; E154-I157 WeakPolarHBondContact O-CA 3.43Å; E154-I157 WeakPolarHBondContact O-CB 3.47Å; E154-I157 PolarHBondContact O-N 2.82Å; E154-M158 WeakPolarHBondContact O-CG 3.45Å; E154-M158 PolarHBondContact O-N 2.8Å; E154-G252 VanDerWaalsContact OE2-O 3.08Å; E154-R255 VanDerWaalsContact CD-CB 3.49Å; E154-R255 WeakPolarHBondContact OE1-CB 3.38Å; E154-R255 WeakPolarHBondContact OE2-CB 3.29Å; E154-A256 HydrophobicContact CB-CB 4.09Å; E154-A256 HydrophobicContact CG-CB 4.4Å; E154-A256 VanDerWaalsContact OE1-CA 3.31Å; E154-A256 WeakPolarHBondContact OE1-CA 3.2Å; E154-A256 PolarHBondContact OE1-N 3.02Å; E154-A256 WeakPolarHBondContact OE2-CA 3.26Å; E154-A256 WeakPolarHBondContact OE2-CB 3.49Å; E154-A256 PolarHBondContact OE2-N 2.89Å
155	A	78.7	Confident	76.1	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-39	171.8	0	0	0	0	0	111.9	F151 L152 I157 M158 H159 F169 V172	F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 2.91Å; L152-A155 PolarHBondContact O-N 2.93Å; A155-I157 VanDerWaalsContact C-N 3.34Å; A155-I157 PolarHBondContact O-N 3.21Å; A155-M158 PolarHBondContact O-N 3.08Å; A155-H159 VanDerWaalsContact O-CB 3.24Å; A155-H159 WeakPolarHBondContact O-CB 3.12Å; A155-H159 PolarHBondContact O-N 3.33Å; A155-F169 HydrophobicContact CB-CE1 4.02Å; A155-F169 HydrophobicContact CB-CZ 4.19Å; A155-F169 WeakPolarHBondContact O-CE1 3.36Å; A155-V172 HydrophobicContact CB-CG1 3.45Å; A155-V172 VanDerWaalsContact CB-CG1 3.45Å
156	A	79.4	Confident	78.1	Confident	23 Å²	23	48 Å²	48	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-32.9	175.8	0	0	0	0	0	113	L152 Q153 E154 R160	L152-A156 WeakPolarHBondContact O-CB 3.01Å; L152-A156 PolarHBondContact O-N 3.32Å; Q153-A156 WeakPolarHBondContact O-CB 3.47Å; Q153-A156 PolarHBondContact O-N 3.01Å; E154-A156 PolarHBondContact O-N 3.3Å; A156-R160 WeakPolarHBondContact O-CG 3.42Å
157	I	80.3	Confident	80	Confident	71 Å²	71	47.5 Å²	47.5	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-70.3	-49.9	172.7	-66.5	167.8	0	0	0	109.9	Q153 E154 A155 H159 R160 L228	Q153-I157 WeakPolarHBondContact O-CG1 3.39Å; Q153-I157 PolarHBondContact O-N 2.83Å; Q153-I157 VanDerWaalsContact O-N 3.15Å; E154-I157 WeakPolarHBondContact O-CA 3.43Å; E154-I157 WeakPolarHBondContact O-CB 3.47Å; E154-I157 PolarHBondContact O-N 2.82Å; A155-I157 VanDerWaalsContact C-N 3.34Å; A155-I157 PolarHBondContact O-N 3.21Å; I157-H159 VanDerWaalsContact C-N 3.28Å; I157-H159 PolarHBondContact O-N 3.02Å; I157-R160 PolarHBondContact O-N 3.14Å; I157-R160 VanDerWaalsContact O-N 3.08Å; I157-L228 HydrophobicContact CG2-CD1 4.37Å; I157-L228 HydrophobicContact CG2-CD2 3.74Å
158	M	84.4	Confident	81.7	Confident	15 Å²	15	46.4 Å²	46.4	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-37.1	179.3	-68	178.4	71.3	0	0	112.2	E154 A155 R160 V161 F169 F251 L253	E154-M158 WeakPolarHBondContact O-CG 3.45Å; E154-M158 PolarHBondContact O-N 2.8Å; A155-M158 PolarHBondContact O-N 3.08Å; M158-R160 PolarHBondContact O-N 3.24Å; M158-V161 WeakPolarHBondContact O-CB 3.44Å; M158-V161 PolarHBondContact O-N 2.91Å; M158-V161 VanDerWaalsContact O-N 3.14Å; M158-F169 HydrophobicContact CB-CB 4.23Å; M158-F169 HydrophobicContact CB-CD1 3.72Å; M158-F169 HydrophobicContact CB-CE1 4.24Å; M158-F169 HydrophobicContact CB-CG 4Å; M158-F169 HydrophobicContact CE-CD2 4.35Å; M158-F251 HydrophobicContact CB-CE2 4.43Å; M158-F251 HydrophobicContact CB-CZ 4.45Å; M158-F251 WeakPolarHBondContact CE-O 3.06Å; M158-F251 HydrophobicContact CG-CE2 3.95Å; M158-F251 HydrophobicContact CG-CZ 4.36Å; M158-L253 HydrophobicContact CE-CD2 3.97Å; M158-L253 HydrophobicContact CE-CG 4.09Å; M158-L253 HydrophobicContact SD-CD2 3.78Å; M158-L253 HydrophobicContact SD-CG 4.33Å
159	H	86.6	Confident	83.2	Confident	33 Å²	33	44.1 Å²	44.1	15%	0.153	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-25.1	178.4	-176.9	79.6	0	0	0	113.2	H96 A155 I157 F169 Y170	H96-H159 HydrophobicContact CB-CB 3.84Å; A155-H159 VanDerWaalsContact O-CB 3.24Å; A155-H159 WeakPolarHBondContact O-CB 3.12Å; A155-H159 PolarHBondContact O-N 3.33Å; I157-H159 VanDerWaalsContact C-N 3.28Å; I157-H159 PolarHBondContact O-N 3.02Å; H159-F169 HydrophobicContact CB-CD1 3.97Å; H159-F169 HydrophobicContact CB-CE1 4.35Å; H159-Y170 PolarHBondContact CE1-O 3.07Å; H159-Y170 VanDerWaalsContact CE1-O 3.22Å; H159-Y170 PolarHBondContact ND1-O 2.84Å
160	R	86.9	Confident	84.9	Confident	149 Å²	149	45.2 Å²	45.2	56%	0.562	21%	0.214	S	C	*	.	H	α-helix	trans	-84.3	-15.7	177.4	-67.9	171.8	-178	174.9	2.3	113.1	A156 I157 M158 D162	A156-R160 WeakPolarHBondContact O-CG 3.42Å; I157-R160 PolarHBondContact O-N 3.14Å; I157-R160 VanDerWaalsContact O-N 3.08Å; M158-R160 PolarHBondContact O-N 3.24Å; R160-D162 PolarHBondContact O-N 3.33Å
161	V	89.8	Confident	86.3	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.042	20%	0.196	C	C	.	.			trans	-70.5	120.4	177.5	170.6	0	0	0	0	109.2	M158 I166 R168 Y222 L223 L228 F251	M158-V161 WeakPolarHBondContact O-CB 3.44Å; M158-V161 PolarHBondContact O-N 2.91Å; M158-V161 VanDerWaalsContact O-N 3.14Å; V161-I166 HydrophobicContact CG1-CB 4.23Å; V161-I166 HydrophobicContact CG1-CD1 3.81Å; V161-I166 HydrophobicContact CG1-CG2 3.68Å; V161-R168 PolarHBondContact O-NH1 3.11Å; V161-Y222 HydrophobicContact CB-CE1 4.33Å; V161-Y222 HydrophobicContact CG1-CD1 4.35Å; V161-Y222 HydrophobicContact CG1-CE1 3.69Å; V161-Y222 HydrophobicContact CG2-CE1 4.32Å; V161-L223 HydrophobicContact CG1-CD2 4.5Å; V161-L228 HydrophobicContact CG2-CD1 3.63Å; V161-F251 HydrophobicContact CB-CE2 4.25Å; V161-F251 HydrophobicContact CB-CZ 3.78Å; V161-F251 HydrophobicContact CG1-CE1 4.27Å; V161-F251 HydrophobicContact CG1-CE2 4.32Å; V161-F251 HydrophobicContact CG1-CZ 3.67Å; V161-F251 HydrophobicContact CG2-CE2 3.8Å; V161-F251 HydrophobicContact CG2-CZ 3.87Å
162	D	93	Very high	87.2	Confident	105 Å²	105	41.6 Å²	41.6	56%	0.561	19%	0.194	S	C	*	.			trans	-138.9	102.9	-178.8	-166.3	18.5	0	0	0	109.5	R160 R168 Y222	R160-D162 PolarHBondContact O-N 3.33Å; D162-R168 VanDerWaalsContact CB-NH1 3.32Å; D162-R168 IonicContact OD1-NH1 2.69Å; D162-Y222 PolarHBondContact N-OH 3.35Å
163	H	96.9	Very high	87.9	Confident	40 Å²	40	40.5 Å²	40.5	19%	0.185	19%	0.189	C	C	.	.			trans	-152.1	143.6	-178.4	-172.5	-96.1	0	0	0	109.9	H165 I166 S218 Y222	H163-H165 AromaticContact CE1-CD2 3.89Å; H163-H165 PolarHBondContact ND1-N 3.36Å; H163-H165 VanDerWaalsContact ND1-N 3.13Å; H163-H165 PolarHBondContact O-N 3.14Å; H163-I166 HydrophobicContact CB-CB 4.06Å; H163-I166 HydrophobicContact CB-CD1 3.75Å; H163-I166 HydrophobicContact CB-CG1 3.87Å; H163-I166 PolarHBondContact O-N 2.92Å; H163-I166 VanDerWaalsContact O-N 3.12Å; H163-I166 VanDerWaalsContact O-O 3.08Å; H163-S218 PolarHBondContact CE1-OG 3.19Å; H163-S218 VanDerWaalsContact CE1-OG 3.27Å; H163-Y222 HydrophobicContact CB-CD1 4.14Å; H163-Y222 HydrophobicContact CB-CD2 4.07Å; H163-Y222 HydrophobicContact CB-CE1 4.47Å; H163-Y222 HydrophobicContact CB-CE2 4.35Å; H163-Y222 HydrophobicContact CB-CG 3.94Å; H163-Y222 AromaticContact CD2-CD2 3.65Å; H163-Y222 AromaticContact CD2-CG 3.81Å; H163-Y222 AromaticContact CG-CG 3.95Å
164	E	97.7	Very high	88.5	Confident	120 Å²	120	36.2 Å²	36.2	56%	0.561	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.9	-174.8	65.3	176.5	140	0	0	113.8	K247	E164-K247 WeakPolarHBondContact O-CD 3.27Å; E164-K247 WeakPolarHBondContact O-CE 3.24Å; E164-K247 WeakPolarHBondContact O-CG 3.41Å
165	H	98.5	Very high	88.7	Confident	18 Å²	18	37.2 Å²	37.2	8%	0.083	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	19.5	178.4	-56.6	-50.4	0	0	0	113.8	H163 Q215 V246 K247 V248	H163-H165 AromaticContact CE1-CD2 3.89Å; H163-H165 PolarHBondContact ND1-N 3.36Å; H163-H165 VanDerWaalsContact ND1-N 3.13Å; H163-H165 PolarHBondContact O-N 3.14Å; H165-Q215 HydrophobicContact CB-CB 4.44Å; H165-Q215 WeakPolarHBondContact CB-O 3.47Å; H165-Q215 VanDerWaalsContact CE1-CD 3.48Å; H165-Q215 WeakPolarHBondContact CE1-CG 3.34Å; H165-Q215 PolarHBondContact CE1-OE1 2.65Å; H165-Q215 PolarHBondContact ND1-OE1 3.15Å; H165-V246 PolarHBondContact ND1-O 2.84Å; H165-K247 CarbonylContact O-C 3.6Å; H165-K247 WeakPolarHBondContact O-CA 3.44Å; H165-V248 PolarHBondContact O-N 3.05Å
166	I	97.2	Very high	88.2	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.015	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-124.3	135.2	171	-58.6	175.4	0	0	0	108.6	V161 H163 R168 G219 Y222 L223 F251	V161-I166 HydrophobicContact CG1-CB 4.23Å; V161-I166 HydrophobicContact CG1-CD1 3.81Å; V161-I166 HydrophobicContact CG1-CG2 3.68Å; H163-I166 HydrophobicContact CB-CB 4.06Å; H163-I166 HydrophobicContact CB-CD1 3.75Å; H163-I166 HydrophobicContact CB-CG1 3.87Å; H163-I166 PolarHBondContact O-N 2.92Å; H163-I166 VanDerWaalsContact O-N 3.12Å; H163-I166 VanDerWaalsContact O-O 3.08Å; I166-R168 PolarHBondContact O-N 3.29Å; I166-G219 WeakPolarHBondContact CD1-O 3.17Å; I166-Y222 HydrophobicContact CD1-CD1 3.33Å; I166-Y222 HydrophobicContact CD1-CE1 4.04Å; I166-Y222 HydrophobicContact CD1-CG 4.04Å; I166-L223 HydrophobicContact CD1-CD2 3.75Å; I166-L223 HydrophobicContact CD1-CG 3.79Å; I166-F251 HydrophobicContact CG2-CD1 3.84Å; I166-F251 HydrophobicContact CG2-CE1 3.28Å; I166-F251 HydrophobicContact CG2-CZ 4.03Å
167	V	96.3	Very high	87.9	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.042	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-60.8	121.1	178.5	170.6	0	0	0	0	110	F169 T183 E184 L239 F241 K247 V248 A249	V167-F169 PolarHBondContact O-N 3.47Å; V167-T183 HydrophobicContact CG1-CG2 4.17Å; V167-E184 VanDerWaalsContact CA-OE1 3.24Å; V167-E184 WeakPolarHBondContact CA-OE1 3.33Å; V167-E184 HydrophobicContact CG1-CG 3.76Å; V167-L239 HydrophobicContact CG2-CB 4.37Å; V167-L239 HydrophobicContact CG2-CD1 3.97Å; V167-L239 HydrophobicContact CG2-CG 4.37Å; V167-F241 HydrophobicContact CG2-CE2 4.02Å; V167-F241 HydrophobicContact CG2-CZ 4.24Å; V167-K247 HydrophobicContact CG2-CB 3.7Å; V167-V248 PolarHBondContact N-O 2.83Å; V167-A249 HydrophobicContact CB-CB 4.1Å; V167-A249 HydrophobicContact CG2-CB 3.62Å
168	R	94.1	Very high	87.8	Confident	53 Å²	53	46.8 Å²	46.8	20%	0.2	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.5	118.5	178.3	-173.1	62.9	173.4	170.4	-3	110.4	V161 D162 I166 Y170 T183 E184	V161-R168 PolarHBondContact O-NH1 3.11Å; D162-R168 VanDerWaalsContact CB-NH1 3.32Å; D162-R168 IonicContact OD1-NH1 2.69Å; I166-R168 PolarHBondContact O-N 3.29Å; R168-Y170 HydrophobicContact CB-CE1 4.45Å; R168-Y170 HydrophobicContact CG-CD1 4.02Å; R168-Y170 HydrophobicContact CG-CE1 3.7Å; R168-T183 VanDerWaalsContact O-CA 3.29Å; R168-T183 WeakPolarHBondContact O-CA 3.16Å; R168-T183 WeakPolarHBondContact O-CB 3.24Å; R168-E184 HydrophobicContact CB-CB 4.44Å; R168-E184 HydrophobicContact CB-CG 3.97Å; R168-E184 PolarHBondContact N-OE1 3.19Å; R168-E184 PolarHBondContact O-N 3.04Å
169	F	92.6	Very high	87.7	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.2	170.2	-178	-108.5	0	0	0	110.1	A155 M158 H159 V167 G171 V172 L181 T183	A155-F169 HydrophobicContact CB-CE1 4.02Å; A155-F169 HydrophobicContact CB-CZ 4.19Å; A155-F169 WeakPolarHBondContact O-CE1 3.36Å; M158-F169 HydrophobicContact CB-CB 4.23Å; M158-F169 HydrophobicContact CB-CD1 3.72Å; M158-F169 HydrophobicContact CB-CE1 4.24Å; M158-F169 HydrophobicContact CB-CG 4Å; M158-F169 HydrophobicContact CE-CD2 4.35Å; H159-F169 HydrophobicContact CB-CD1 3.97Å; H159-F169 HydrophobicContact CB-CE1 4.35Å; V167-F169 PolarHBondContact O-N 3.47Å; F169-G171 WeakPolarHBondContact CE2-O 3.12Å; F169-G171 VanDerWaalsContact CZ-O 3.25Å; F169-G171 WeakPolarHBondContact CZ-O 3.47Å; F169-V172 HydrophobicContact CE1-CG1 4.37Å; F169-V172 HydrophobicContact CZ-CG1 3.66Å; F169-L181 HydrophobicContact CE2-CB 4Å; F169-L181 HydrophobicContact CE2-CD2 3.72Å; F169-L181 HydrophobicContact CE2-CG 4.47Å; F169-L181 HydrophobicContact CZ-CD2 3.89Å; F169-T183 HydrophobicContact CD2-CG2 3.89Å
170	Y	91.1	Very high	87.8	Confident	54 Å²	54	45.7 Å²	45.7	21%	0.212	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-43.3	179.8	-64.4	-51.8	0	0	0	111.7	W122 I132 V134 H159 R168 V182 T183 E184	W122-Y170 HydrophobicContact CE3-CD1 4.47Å; W122-Y170 HydrophobicContact CE3-CD2 4.12Å; W122-Y170 HydrophobicContact CE3-CG 4Å; W122-Y170 AromaticContact CZ3-CD1 3.71Å; W122-Y170 HydrophobicContact CZ3-CD1 3.71Å; W122-Y170 HydrophobicContact CZ3-CD2 4.14Å; W122-Y170 HydrophobicContact CZ3-CE1 4.39Å; W122-Y170 AromaticContact CZ3-CG 3.57Å; W122-Y170 HydrophobicContact CZ3-CG 3.57Å; I132-Y170 HydrophobicContact CD1-CE1 4.36Å; I132-Y170 HydrophobicContact CD1-CE2 3.78Å; V134-Y170 HydrophobicContact CG1-CD2 3.88Å; V134-Y170 HydrophobicContact CG1-CE2 3.83Å; H159-Y170 PolarHBondContact CE1-O 3.07Å; H159-Y170 VanDerWaalsContact CE1-O 3.22Å; H159-Y170 PolarHBondContact ND1-O 2.84Å; R168-Y170 HydrophobicContact CB-CE1 4.45Å; R168-Y170 HydrophobicContact CG-CD1 4.02Å; R168-Y170 HydrophobicContact CG-CE1 3.7Å; Y170-V182 WeakPolarHBondContact CB-O 3.49Å; Y170-V182 HydrophobicContact CD2-CG1 4.2Å; Y170-V182 PolarHBondContact N-O 3.42Å; Y170-T183 VanDerWaalsContact CD2-C 3.46Å; Y170-T183 VanDerWaalsContact CE2-C 3.49Å; Y170-E184 HydrophobicContact CE2-CB 4.05Å; Y170-E184 VanDerWaalsContact CE2-N 3.3Å
171	G	89.1	Confident	88	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-170.6	-179.7	0	0	0	0	0	114.5	H96 F169 V182	H96-G171 CarbonylContact O-C 3.57Å; H96-G171 WeakPolarHBondContact O-CA 3.14Å; F169-G171 WeakPolarHBondContact CE2-O 3.12Å; F169-G171 VanDerWaalsContact CZ-O 3.25Å; F169-G171 WeakPolarHBondContact CZ-O 3.47Å; G171-V182 PolarHBondContact N-O 2.97Å; G171-V182 PolarHBondContact O-N 3.21Å
172	V	87.1	Confident	88.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.6	179.7	-58.4	0	0	0	0	110.1	H96 I97 I98 F151 L152 A155 F169 L174 M180 L181	H96-V172 PolarHBondContact O-N 3.27Å; I97-V172 CarbonylContact C-O 3.54Å; I97-V172 WeakPolarHBondContact CA-O 3.48Å; I97-V172 HydrophobicContact CG1-CG2 3.99Å; I98-V172 PolarHBondContact N-O 3.27Å; F151-V172 HydrophobicContact CE1-CB 4.33Å; F151-V172 HydrophobicContact CE1-CG1 3.76Å; F151-V172 HydrophobicContact CZ-CG1 4.15Å; L152-V172 HydrophobicContact CD2-CG2 3.92Å; A155-V172 HydrophobicContact CB-CG1 3.45Å; A155-V172 VanDerWaalsContact CB-CG1 3.45Å; F169-V172 HydrophobicContact CE1-CG1 4.37Å; F169-V172 HydrophobicContact CZ-CG1 3.66Å; V172-L174 HydrophobicContact CB-CD2 4.39Å; V172-L174 HydrophobicContact CB-CG 4.47Å; V172-L174 HydrophobicContact CG2-CD1 4Å; V172-L174 HydrophobicContact CG2-CD2 4.14Å; V172-L174 HydrophobicContact CG2-CG 3.9Å; V172-M180 CarbonylContact C-O 3.58Å; V172-M180 VanDerWaalsContact CA-O 3.24Å; V172-M180 WeakPolarHBondContact CA-O 3.29Å; V172-L181 HydrophobicContact CG1-CD2 4.02Å
173	V	87.1	Confident	88.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.6	162.7	-176.9	0	0	0	0	107.9	I98 I103 V179 M180 V182	I98-V173 HydrophobicContact CB-CG2 3.94Å; I98-V173 HydrophobicContact CG2-CG2 4.04Å; I103-V173 HydrophobicContact CG1-CG2 3.72Å; V173-V179 WeakPolarHBondContact O-CA 3.45Å; V173-M180 HydrophobicContact CB-CB 4.09Å; V173-M180 HydrophobicContact CB-CE 3.58Å; V173-M180 HydrophobicContact CG1-CE 3.48Å; V173-M180 VanDerWaalsContact CG1-CE 3.48Å; V173-M180 HydrophobicContact CG2-CE 3.92Å; V173-M180 PolarHBondContact N-O 2.99Å; V173-M180 PolarHBondContact O-N 3.47Å; V173-V182 HydrophobicContact CG2-CG2 3.95Å
174	L	81.6	Confident	88	Confident	27 Å²	27	34.2 Å²	34.2	14%	0.141	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	96.1	-176.4	-60.6	167.3	0	0	0	109.3	F44 I97 L152 V172 V179	F44-L174 HydrophobicContact CD1-CD1 4.05Å; F44-L174 HydrophobicContact CE1-CB 3.56Å; F44-L174 HydrophobicContact CE1-CD1 3.45Å; F44-L174 VanDerWaalsContact CE1-CD1 3.45Å; F44-L174 HydrophobicContact CE1-CG 4.15Å; F44-L174 HydrophobicContact CZ-CB 3.67Å; F44-L174 HydrophobicContact CZ-CD1 4.41Å; I97-L174 HydrophobicContact CD1-CD1 3.86Å; I97-L174 HydrophobicContact CG1-CD1 4.02Å; I97-L174 HydrophobicContact CG2-CD1 4.13Å; L152-L174 HydrophobicContact CD1-CD1 4.39Å; L152-L174 HydrophobicContact CD2-CD1 3.55Å; L152-L174 HydrophobicContact CD2-CD2 4.01Å; L152-L174 HydrophobicContact CD2-CG 4.34Å; V172-L174 HydrophobicContact CB-CD2 4.39Å; V172-L174 HydrophobicContact CB-CG 4.47Å; V172-L174 HydrophobicContact CG2-CD1 4Å; V172-L174 HydrophobicContact CG2-CD2 4.14Å; V172-L174 HydrophobicContact CG2-CG 3.9Å; L174-V179 HydrophobicContact CD2-CG1 4.15Å; L174-V179 HydrophobicContact CD2-CG2 4.11Å
175	N	74.3	Confident	87.8	Confident	52 Å²	52	29.6 Å²	29.6	28%	0.278	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.9	173	-72.6	-18.9	0	0	0	110.6	S100 K177 S178	S100-N175 WeakPolarHBondContact CB-OD1 3.06Å; N175-K177 PolarHBondContact O-N 2.93Å; N175-S178 WeakPolarHBondContact CB-O 3.34Å; N175-S178 PolarHBondContact N-O 3.38Å; N175-S178 PolarHBondContact O-N 2.69Å; N175-S178 VanDerWaalsContact O-N 3.14Å
176	P	69.3	Low	87.6	Confident	108 Å²	108	29 Å²	29	70%	0.701	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-28.5	174.7	-25.9	33.5	0	0	0	114.1
177	K	73.3	Confident	87.2	Confident	177 Å²	177	32.9 Å²	32.9	77%	0.77	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-15	-177.5	-61.2	-174.4	179.6	-178.2	0	114.7	N175	N175-K177 PolarHBondContact O-N 2.93Å
178	S	77.1	Confident	86.8	Confident	12 Å²	12	35 Å²	35	8%	0.084	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	142	-174.1	61.1	0	0	0	0	112.5	K138 N175	K138-S178 VanDerWaalsContact CE-CB 3.47Å; N175-S178 WeakPolarHBondContact CB-O 3.34Å; N175-S178 PolarHBondContact N-O 3.38Å; N175-S178 PolarHBondContact O-N 2.69Å; N175-S178 VanDerWaalsContact O-N 3.14Å
179	V	83.2	Confident	86.7	Confident	16 Å²	16	36.2 Å²	36.2	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.8	166.5	176.4	0	0	0	0	108.7	I139 M144 F151 V173 L174	I139-V179 HydrophobicContact CB-CB 4.43Å; I139-V179 HydrophobicContact CG1-CB 4.44Å; I139-V179 HydrophobicContact CG1-CG1 4.49Å; I139-V179 PolarHBondContact N-O 3.31Å; M144-V179 HydrophobicContact CE-CB 4.23Å; M144-V179 HydrophobicContact CE-CG2 3.54Å; M144-V179 HydrophobicContact SD-CB 4.12Å; M144-V179 HydrophobicContact SD-CG2 3.98Å; F151-V179 HydrophobicContact CD1-CG1 4.24Å; F151-V179 HydrophobicContact CE1-CG1 3.31Å; F151-V179 HydrophobicContact CE2-CG1 4.09Å; F151-V179 HydrophobicContact CZ-CG1 3.21Å; V173-V179 WeakPolarHBondContact O-CA 3.45Å; L174-V179 HydrophobicContact CD2-CG1 4.15Å; L174-V179 HydrophobicContact CD2-CG2 4.11Å
180	M	88.1	Confident	86.8	Confident	9 Å²	9	36.5 Å²	36.5	4%	0.044	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.6	177.2	-49.3	-173.9	-72.5	0	0	110.7	L105 V136 K137 K138 V172 V173	L105-M180 HydrophobicContact CD1-SD 4.36Å; L105-M180 HydrophobicContact CD2-SD 4.36Å; V136-M180 HydrophobicContact CG1-CB 3.67Å; V136-M180 HydrophobicContact CG1-CG 4.19Å; V136-M180 HydrophobicContact CG1-SD 3.81Å; K137-M180 CarbonylContact O-C 3.45Å; K137-M180 WeakPolarHBondContact O-CA 3.46Å; K138-M180 HydrophobicContact CB-CG 4.09Å; K138-M180 HydrophobicContact CB-SD 4.47Å; K138-M180 HydrophobicContact CD-SD 4.48Å; K138-M180 HydrophobicContact CG-CG 4.02Å; K138-M180 HydrophobicContact CG-SD 4.39Å; V172-M180 CarbonylContact C-O 3.58Å; V172-M180 VanDerWaalsContact CA-O 3.24Å; V172-M180 WeakPolarHBondContact CA-O 3.29Å; V173-M180 HydrophobicContact CB-CB 4.09Å; V173-M180 HydrophobicContact CB-CE 3.58Å; V173-M180 HydrophobicContact CG1-CE 3.48Å; V173-M180 VanDerWaalsContact CG1-CE 3.48Å; V173-M180 HydrophobicContact CG2-CE 3.92Å; V173-M180 PolarHBondContact N-O 2.99Å; V173-M180 PolarHBondContact O-N 3.47Å
181	L	89.8	Confident	87.1	Confident	7 Å²	7	34 Å²	34	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.8	172.2	-60.4	168.6	0	0	0	108.3	V136 K137 I139 F151 F169 V172 L253	V136-L181 CarbonylContact C-O 3.27Å; V136-L181 WeakPolarHBondContact CA-O 3.05Å; K137-L181 HydrophobicContact CB-CB 4.2Å; K137-L181 HydrophobicContact CD-CD1 4.26Å; K137-L181 PolarHBondContact N-O 2.92Å; K137-L181 PolarHBondContact O-N 3.27Å; I139-L181 HydrophobicContact CD1-CD1 4.19Å; F151-L181 HydrophobicContact CE1-CD2 4.46Å; F151-L181 HydrophobicContact CE2-CD2 4.01Å; F151-L181 HydrophobicContact CZ-CD2 3.47Å; F151-L181 VanDerWaalsContact CZ-CD2 3.47Å; F151-L181 HydrophobicContact CZ-CG 4.26Å; F169-L181 HydrophobicContact CE2-CB 4Å; F169-L181 HydrophobicContact CE2-CD2 3.72Å; F169-L181 HydrophobicContact CE2-CG 4.47Å; F169-L181 HydrophobicContact CZ-CD2 3.89Å; V172-L181 HydrophobicContact CG1-CD2 4.02Å; L181-L253 HydrophobicContact CD1-CD1 3.81Å; L181-L253 HydrophobicContact CD1-CD2 3.48Å; L181-L253 VanDerWaalsContact CD1-CD2 3.48Å; L181-L253 HydrophobicContact CD1-CG 4.31Å; L181-L253 HydrophobicContact CD2-CD2 4.35Å
182	V	92.5	Very high	87.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120	-177.7	-169.7	0	0	0	0	109.1	I98 I103 V134 A135 Y170 G171 V173	I98-V182 HydrophobicContact CD1-CB 3.78Å; I98-V182 HydrophobicContact CD1-CG1 4.16Å; I98-V182 HydrophobicContact CD1-CG2 3.87Å; I103-V182 HydrophobicContact CD1-CG1 4.14Å; I103-V182 HydrophobicContact CD1-CG2 4.21Å; I103-V182 HydrophobicContact CG1-CG2 4.37Å; V134-V182 HydrophobicContact CB-CG1 3.73Å; V134-V182 HydrophobicContact CG1-CG1 3.89Å; V134-V182 HydrophobicContact CG2-CG1 3.87Å; A135-V182 WeakPolarHBondContact O-CA 3.47Å; Y170-V182 WeakPolarHBondContact CB-O 3.49Å; Y170-V182 HydrophobicContact CD2-CG1 4.2Å; Y170-V182 PolarHBondContact N-O 3.42Å; G171-V182 PolarHBondContact N-O 2.97Å; G171-V182 PolarHBondContact O-N 3.21Å; V173-V182 HydrophobicContact CG2-CG2 3.95Å
183	T	94.4	Very high	87.8	Confident	31 Å²	31	38.3 Å²	38.3	19%	0.19	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	169.7	178.5	62.8	0	0	0	0	111.2	V134 A135 V167 R168 F169 Y170	V134-T183 WeakPolarHBondContact CA-O 3.34Å; V134-T183 WeakPolarHBondContact CB-O 3.41Å; A135-T183 PolarHBondContact N-O 3.08Å; A135-T183 PolarHBondContact O-N 3.47Å; V167-T183 HydrophobicContact CG1-CG2 4.17Å; R168-T183 VanDerWaalsContact O-CA 3.29Å; R168-T183 WeakPolarHBondContact O-CA 3.16Å; R168-T183 WeakPolarHBondContact O-CB 3.24Å; F169-T183 HydrophobicContact CD2-CG2 3.89Å; Y170-T183 VanDerWaalsContact CD2-C 3.46Å; Y170-T183 VanDerWaalsContact CE2-C 3.49Å
184	E	94.2	Very high	88.2	Confident	22 Å²	22	38.4 Å²	38.4	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	145.3	163.5	58	174.9	155.5	0	0	111.4	V167 R168 Y170 F241 K247	V167-E184 VanDerWaalsContact CA-OE1 3.24Å; V167-E184 WeakPolarHBondContact CA-OE1 3.33Å; V167-E184 HydrophobicContact CG1-CG 3.76Å; R168-E184 HydrophobicContact CB-CB 4.44Å; R168-E184 HydrophobicContact CB-CG 3.97Å; R168-E184 PolarHBondContact N-OE1 3.19Å; R168-E184 PolarHBondContact O-N 3.04Å; Y170-E184 HydrophobicContact CE2-CB 4.05Å; Y170-E184 VanDerWaalsContact CE2-N 3.3Å; E184-F241 HydrophobicContact CB-CE1 4.13Å; E184-F241 HydrophobicContact CB-CZ 4.38Å; E184-F241 VanDerWaalsContact CD-CE1 3.45Å; E184-F241 HydrophobicContact CG-CE1 3.74Å; E184-F241 HydrophobicContact CG-CZ 3.56Å; E184-F241 WeakPolarHBondContact OE2-CE1 3.41Å; E184-K247 WeakPolarHBondContact OE1-CD 3.34Å; E184-K247 IonicContact OE1-NZ 3.26Å; E184-K247 PolarHBondContact OE1-NZ 2.91Å; E184-K247 IonicContact OE2-NZ 3.66Å; E184-K247 PolarHBondContact OE2-NZ 3.04Å
185	L	93.4	Very high	88.9	Confident	23 Å²	23	37.5 Å²	37.5	12%	0.12	20%	0.197	C	C	.	.			trans	-90.2	124.1	179.4	179	65.6	0	0	0	109.7	L109 Q119 Q133 A135 P187 F241	L109-L185 HydrophobicContact CD1-CD1 3.64Å; Q119-L185 HydrophobicContact CG-CD2 3.89Å; Q133-L185 HydrophobicContact CB-CD2 3.91Å; A135-L185 HydrophobicContact CB-CD1 4Å; L185-P187 WeakPolarHBondContact O-CD 3.48Å; L185-F241 WeakPolarHBondContact O-CE1 3.46Å
186	A	93.9	Very high	89.8	Confident	5 Å²	5	41.5 Å²	41.5	4%	0.041	21%	0.209	C	C	.	.			trans	-86.8	111.5	171.6	0	0	0	0	0	110.7	L188 R189 L239 F241	A186-L188 VanDerWaalsContact C-N 3.28Å; A186-L188 PolarHBondContact O-N 2.91Å; A186-R189 PolarHBondContact O-N 3.09Å; A186-L239 HydrophobicContact CB-CB 3.58Å; A186-L239 HydrophobicContact CB-CD1 3.87Å; A186-L239 HydrophobicContact CB-CG 4.24Å; A186-F241 HydrophobicContact CB-CD2 4.22Å; A186-F241 HydrophobicContact CB-CE1 4.28Å; A186-F241 HydrophobicContact CB-CE2 3.8Å; A186-F241 HydrophobicContact CB-CZ 3.82Å
187	P	88.8	Confident	90.8	Very high	85 Å²	85	40.2 Å²	40.2	55%	0.552	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.2	-174.5	-24.4	36.5	0	0	0	113.4	L185	L185-P187 WeakPolarHBondContact O-CD 3.48Å
188	L	87.7	Confident	91.4	Very high	51 Å²	51	36.9 Å²	36.9	27%	0.267	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	9.4	-176	-55.2	179.1	0	0	0	113.4	A186 C194 F200 V240 L243	A186-L188 VanDerWaalsContact C-N 3.28Å; A186-L188 PolarHBondContact O-N 2.91Å; L188-C194 PolarHBondContact O-SG 2.84Å; L188-F200 HydrophobicContact CD2-CZ 4.18Å; L188-V240 HydrophobicContact CB-CB 3.85Å; L188-V240 HydrophobicContact CB-CG1 3.95Å; L188-V240 WeakPolarHBondContact CB-O 3.44Å; L188-V240 HydrophobicContact CD1-CG1 3.81Å; L188-V240 HydrophobicContact CG-CG1 4.47Å; L188-V240 PolarHBondContact N-O 3.02Å; L188-L243 HydrophobicContact CD1-CD2 4.45Å
189	R	91.4	Very high	91.7	Very high	78 Å²	78	43.4 Å²	43.4	29%	0.294	22%	0.224	S	C	.	.			trans	62.9	-154.9	176	-46.7	-55.3	169.5	113	-8.5	112.9	L109 A186 E193 L239 V240	L109-R189 VanDerWaalsContact CB-NH1 3.31Å; L109-R189 VanDerWaalsContact CD2-NH1 3.26Å; A186-R189 PolarHBondContact O-N 3.09Å; R189-E193 WeakPolarHBondContact CB-OE1 3.36Å; R189-L239 WeakPolarHBondContact O-CA 2.88Å; R189-V240 PolarHBondContact O-N 3.45Å
190	S	95.6	Very high	92	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.07	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-74.8	152	-177	70.4	0	0	0	0	112.1	A192 E193 C194 R236 I238	S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 2.74Å; S190-E193 WeakPolarHBondContact CB-OE1 3.43Å; S190-E193 PolarHBondContact N-OE1 3.26Å; S190-E193 PolarHBondContact O-N 2.9Å; S190-E193 VanDerWaalsContact OG-CG 3.29Å; S190-E193 WeakPolarHBondContact OG-CG 3.18Å; S190-E193 PolarHBondContact OG-N 2.92Å; S190-E193 PolarHBondContact OG-OE1 2.76Å; S190-C194 PolarHBondContact O-N 3.02Å; S190-C194 VanDerWaalsContact O-N 3.07Å; S190-C194 PolarHBondContact O-SG 3.2Å; S190-R236 VanDerWaalsContact CB-O 3.31Å; S190-R236 WeakPolarHBondContact CB-O 3.48Å; S190-I238 CarbonylContact C-O 3.48Å; S190-I238 WeakPolarHBondContact CA-O 3.33Å
191	L	98	Very high	91.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-36.7	174.4	179.9	59.9	0	0	0	110.6	E193 C194 L195 Y212 I238 V240 M305	L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 PolarHBondContact O-N 2.94Å; L191-C194 PolarHBondContact O-N 2.92Å; L191-C194 VanDerWaalsContact O-N 3.15Å; L191-L195 HydrophobicContact CD1-CD1 4.31Å; L191-L195 HydrophobicContact CD1-CD2 4.33Å; L191-L195 HydrophobicContact CD1-CG 3.98Å; L191-L195 HydrophobicContact CG-CD1 3.87Å; L191-L195 HydrophobicContact CG-CG 4.07Å; L191-L195 WeakPolarHBondContact O-CB 3.09Å; L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.41Å; L191-Y212 HydrophobicContact CD1-CD2 3.74Å; L191-Y212 HydrophobicContact CD1-CE2 3.71Å; L191-Y212 HydrophobicContact CD2-CD2 4.22Å; L191-I238 HydrophobicContact CB-CB 3.94Å; L191-I238 HydrophobicContact CB-CG2 4.07Å; L191-I238 HydrophobicContact CD2-CB 4.18Å; L191-I238 HydrophobicContact CD2-CG2 3.94Å; L191-I238 PolarHBondContact N-O 3.35Å; L191-V240 HydrophobicContact CB-CG2 3.99Å; L191-V240 HydrophobicContact CD1-CG2 4.07Å; L191-M305 HydrophobicContact CD2-CE 3.62Å; L191-M305 HydrophobicContact CD2-CG 4.02Å
192	A	96.8	Very high	91.8	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-38.5	174.3	0	0	0	0	0	113	S190 R196 A235 R236	S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 2.74Å; A192-R196 WeakPolarHBondContact O-CG 3.37Å; A192-A235 HydrophobicContact CB-CB 4.12Å; A192-A235 PolarHBondContact N-O 2.87Å; A192-A235 VanDerWaalsContact N-O 3.16Å; A192-R236 HydrophobicContact CB-CB 4.29Å
193	E	93.7	Very high	91.7	Very high	87 Å²	87	54.4 Å²	54.4	41%	0.407	28%	0.276	S	S	.	.	H	α-helix	trans	-69.5	-45.8	173.3	-71.9	165	-89.8	0	0	111.3	R189 S190 L191 L195 R196 Q197	R189-E193 WeakPolarHBondContact CB-OE1 3.36Å; S190-E193 WeakPolarHBondContact CB-OE1 3.43Å; S190-E193 PolarHBondContact N-OE1 3.26Å; S190-E193 PolarHBondContact O-N 2.9Å; S190-E193 VanDerWaalsContact OG-CG 3.29Å; S190-E193 WeakPolarHBondContact OG-CG 3.18Å; S190-E193 PolarHBondContact OG-N 2.92Å; S190-E193 PolarHBondContact OG-OE1 2.76Å; L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 PolarHBondContact O-N 2.94Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.78Å; E193-R196 PolarHBondContact O-N 2.79Å; E193-Q197 WeakPolarHBondContact O-CG 3.48Å; E193-Q197 PolarHBondContact O-N 3.18Å
194	C	95.4	Very high	91.7	Very high	2 Å²	2	53 Å²	53	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-42.7	179.6	-69.1	0	0	0	0	112.5	L188 S190 L191 R196 Q197 F200 L204 V240	L188-C194 PolarHBondContact O-SG 2.84Å; S190-C194 PolarHBondContact O-N 3.02Å; S190-C194 VanDerWaalsContact O-N 3.07Å; S190-C194 PolarHBondContact O-SG 3.2Å; L191-C194 PolarHBondContact O-N 2.92Å; L191-C194 VanDerWaalsContact O-N 3.15Å; C194-R196 VanDerWaalsContact C-N 3.27Å; C194-R196 PolarHBondContact O-N 2.85Å; C194-Q197 PolarHBondContact O-N 2.86Å; C194-F200 HydrophobicContact CB-CD2 4.13Å; C194-L204 HydrophobicContact CB-CD1 4.19Å; C194-V240 HydrophobicContact CB-CG2 4.41Å
195	L	96.7	Very high	91.8	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-32.7	-178.5	-72.4	167.3	0	0	0	112.8	L191 E193 L204 L209 A235 Y308	L191-L195 HydrophobicContact CD1-CD1 4.31Å; L191-L195 HydrophobicContact CD1-CD2 4.33Å; L191-L195 HydrophobicContact CD1-CG 3.98Å; L191-L195 HydrophobicContact CG-CD1 3.87Å; L191-L195 HydrophobicContact CG-CG 4.07Å; L191-L195 WeakPolarHBondContact O-CB 3.09Å; L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.41Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.78Å; L195-L204 HydrophobicContact CD2-CD1 4.07Å; L195-L209 HydrophobicContact CD2-CD2 3.75Å; L195-A235 HydrophobicContact CD1-CB 4.49Å; L195-Y308 HydrophobicContact CD2-CD1 4.36Å
196	R	93.3	Very high	92	Very high	136 Å²	136	52.2 Å²	52.2	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-87.2	-13.3	-178.7	-65.5	178.4	-171.3	134	3.1	113.6	A192 E193 C194 P198 G309	A192-R196 WeakPolarHBondContact O-CG 3.37Å; E193-R196 PolarHBondContact O-N 2.79Å; C194-R196 VanDerWaalsContact C-N 3.27Å; C194-R196 PolarHBondContact O-N 2.85Å; R196-P198 WeakPolarHBondContact O-CD 3.13Å; R196-G309 PolarHBondContact NE-O 3.12Å; R196-G309 PolarHBondContact NH2-O 3.49Å
197	Q	89.9	Confident	92.2	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.379	27%	0.267	S	S	.	.			trans	-84.3	119.7	-178.1	-79	180	28.9	0	0	110.8	E193 C194 N199 F200	E193-Q197 WeakPolarHBondContact O-CG 3.48Å; E193-Q197 PolarHBondContact O-N 3.18Å; C194-Q197 PolarHBondContact O-N 2.86Å; Q197-N199 PolarHBondContact O-N 3.13Å; Q197-N199 VanDerWaalsContact O-N 3.12Å; Q197-F200 HydrophobicContact CB-CD2 3.82Å; Q197-F200 HydrophobicContact CB-CE2 4.49Å; Q197-F200 PolarHBondContact O-N 2.84Å; Q197-F200 VanDerWaalsContact O-N 3.09Å
198	P	84.9	Confident	92.6	Very high	107 Å²	107	52.3 Å²	52.3	70%	0.695	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-56.6	-33	-178	-27.1	35.4	0	0	0	113.8	R196 F200 R201	R196-P198 WeakPolarHBondContact O-CD 3.13Å; P198-F200 PolarHBondContact O-N 3.34Å; P198-R201 WeakPolarHBondContact O-CB 3.46Å; P198-R201 PolarHBondContact O-N 3.27Å
199	N	84.7	Confident	93.1	Very high	150 Å²	150	49.9 Å²	49.9	80%	0.802	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-66.4	-23.8	-177.9	-61.7	-7.1	0	0	0	113.3	Q197	Q197-N199 PolarHBondContact O-N 3.13Å; Q197-N199 VanDerWaalsContact O-N 3.12Å
200	F	87.8	Confident	93.4	Very high	43 Å²	43	46.1 Å²	46.1	19%	0.189	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-90.2	-5.7	175.9	-71	-58.2	0	0	0	112.9	L188 C194 Q197 P198 E202 A203 L204 L243	L188-F200 HydrophobicContact CD2-CZ 4.18Å; C194-F200 HydrophobicContact CB-CD2 4.13Å; Q197-F200 HydrophobicContact CB-CD2 3.82Å; Q197-F200 HydrophobicContact CB-CE2 4.49Å; Q197-F200 PolarHBondContact O-N 2.84Å; Q197-F200 VanDerWaalsContact O-N 3.09Å; P198-F200 PolarHBondContact O-N 3.34Å; F200-E202 VanDerWaalsContact C-N 3.31Å; F200-E202 PolarHBondContact O-N 3.17Å; F200-A203 PolarHBondContact O-N 2.98Å; F200-L204 HydrophobicContact CB-CD1 3.87Å; F200-L204 HydrophobicContact CB-CG 4.15Å; F200-L204 WeakPolarHBondContact O-CB 3.32Å; F200-L204 WeakPolarHBondContact O-CG 3.47Å; F200-L204 PolarHBondContact O-N 3.13Å; F200-L243 HydrophobicContact CD1-CD2 4.09Å; F200-L243 HydrophobicContact CE1-CD2 4.27Å
201	R	86.4	Confident	93.6	Very high	66 Å²	66	47 Å²	47	25%	0.249	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-37.7	-170.6	-173.2	63.7	-177.3	86.6	-5.6	113.7	P198 Y308	P198-R201 WeakPolarHBondContact O-CB 3.46Å; P198-R201 PolarHBondContact O-N 3.27Å; R201-Y308 VanDerWaalsContact CZ-CZ 3.41Å; R201-Y308 PolarHBondContact NH1-OH 3.32Å
202	E	87.7	Confident	93.6	Very high	120 Å²	120	47 Å²	47	56%	0.561	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-28.7	177	-63.4	-173.2	169.9	0	0	112.6	F200 T205 Y511	F200-E202 VanDerWaalsContact C-N 3.31Å; F200-E202 PolarHBondContact O-N 3.17Å; E202-T205 WeakPolarHBondContact O-CG2 3.32Å; E202-Y511 PolarHBondContact OE2-OH 3.12Å; E202-Y511 VanDerWaalsContact OE2-OH 3.04Å
203	A	91.3	Very high	93.7	Very high	33 Å²	33	46.9 Å²	46.9	27%	0.273	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-33.3	179.4	0	0	0	0	0	112.4	F200 T205 L243	F200-A203 PolarHBondContact O-N 2.98Å; A203-T205 PolarHBondContact O-N 3.02Å; A203-T205 VanDerWaalsContact O-N 3.12Å; A203-L243 HydrophobicContact CB-CD1 3.99Å; A203-L243 HydrophobicContact CB-CD2 3.98Å
204	L	94.7	Very high	93.9	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.223	C	C	.	.	S	Bend	trans	-87.4	60.8	178.2	-61.5	178.3	0	0	0	110.6	C194 L195 F200 R208 Y212 Y308	C194-L204 HydrophobicContact CB-CD1 4.19Å; L195-L204 HydrophobicContact CD2-CD1 4.07Å; F200-L204 HydrophobicContact CB-CD1 3.87Å; F200-L204 HydrophobicContact CB-CG 4.15Å; F200-L204 WeakPolarHBondContact O-CB 3.32Å; F200-L204 WeakPolarHBondContact O-CG 3.47Å; F200-L204 PolarHBondContact O-N 3.13Å; L204-R208 HydrophobicContact CD2-CG 4.45Å; L204-Y212 HydrophobicContact CD2-CE2 3.64Å; L204-Y308 HydrophobicContact CB-CE1 4.41Å; L204-Y308 VanDerWaalsContact O-CE1 3.32Å; L204-Y308 WeakPolarHBondContact O-CE1 3.37Å; L204-Y308 PolarHBondContact O-OH 3.1Å
205	T	96.3	Very high	94.1	Very high	24 Å²	24	46.3 Å²	46.3	15%	0.147	23%	0.227	C	C	.	.			trans	-64	161.2	172.7	64.1	0	0	0	0	111	E202 A203 V207 R208 L209 N419	E202-T205 WeakPolarHBondContact O-CG2 3.32Å; A203-T205 PolarHBondContact O-N 3.02Å; A203-T205 VanDerWaalsContact O-N 3.12Å; T205-V207 PolarHBondContact O-N 3.3Å; T205-R208 WeakPolarHBondContact O-CA 3.46Å; T205-R208 WeakPolarHBondContact O-CB 3.32Å; T205-R208 PolarHBondContact O-N 3.14Å; T205-R208 PolarHBondContact OG1-N 3.32Å; T205-L209 WeakPolarHBondContact O-CG 3.41Å; T205-L209 PolarHBondContact O-N 3.4Å; T205-N419 HydrophobicContact CG2-CB 3.96Å
206	V	97.6	Very high	94.2	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-54.9	-39.1	175.7	168.8	0	0	0	0	111.8	R208 L209 C210 F306 L338 P340 T399 L401 V417	V206-R208 VanDerWaalsContact C-N 3.34Å; V206-R208 PolarHBondContact O-N 3.43Å; V206-L209 PolarHBondContact O-N 3.38Å; V206-C210 PolarHBondContact O-N 2.95Å; V206-C210 PolarHBondContact O-SG 2.87Å; V206-F306 HydrophobicContact CG1-CE1 4.1Å; V206-L338 HydrophobicContact CG2-CB 4.23Å; V206-L338 WeakPolarHBondContact CG2-O 3.48Å; V206-P340 HydrophobicContact CG1-CG 3.78Å; V206-T399 HydrophobicContact CB-CG2 4.44Å; V206-T399 HydrophobicContact CG1-CG2 4.14Å; V206-L401 HydrophobicContact CG1-CD2 4.04Å; V206-L401 HydrophobicContact CG2-CD2 4.5Å; V206-V417 HydrophobicContact CB-CG1 4.25Å; V206-V417 HydrophobicContact CG2-CG1 3.81Å
207	V	96.9	Very high	94.5	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-38.9	176.1	177.1	0	0	0	0	111.7	T205 L209 C210 D211 Q375 T399	T205-V207 PolarHBondContact O-N 3.3Å; V207-L209 VanDerWaalsContact C-N 3.34Å; V207-L209 PolarHBondContact O-N 3.33Å; V207-C210 WeakPolarHBondContact O-CB 3.32Å; V207-C210 PolarHBondContact O-N 2.82Å; V207-D211 PolarHBondContact O-N 2.75Å; V207-Q375 HydrophobicContact CG2-CG 4.1Å; V207-Q375 VanDerWaalsContact CG2-NE2 3.3Å; V207-T399 HydrophobicContact CG2-CG2 3.77Å
208	R	97.5	Very high	94.9	Very high	78 Å²	78	37 Å²	37	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-65.3	-37.8	174.2	-173.1	61.4	72.3	-161.6	9.1	112.5	L204 T205 V206 C210 D211 Y212 L243	L204-R208 HydrophobicContact CD2-CG 4.45Å; T205-R208 WeakPolarHBondContact O-CA 3.46Å; T205-R208 WeakPolarHBondContact O-CB 3.32Å; T205-R208 PolarHBondContact O-N 3.14Å; T205-R208 PolarHBondContact OG1-N 3.32Å; V206-R208 VanDerWaalsContact C-N 3.34Å; V206-R208 PolarHBondContact O-N 3.43Å; R208-C210 VanDerWaalsContact C-N 3.28Å; R208-C210 PolarHBondContact O-N 3.5Å; R208-D211 IonicContact CZ-OD2 3.98Å; R208-D211 IonicContact NE-OD2 3.67Å; R208-D211 IonicContact NH1-OD2 2.86Å; R208-D211 PolarHBondContact NH1-OD2 3.26Å; R208-D211 WeakPolarHBondContact O-CB 3.38Å; R208-D211 PolarHBondContact O-N 3.23Å; R208-Y212 HydrophobicContact CG-CE1 4.05Å; R208-Y212 HydrophobicContact CG-CE2 4.36Å; R208-Y212 PolarHBondContact O-N 3.17Å; R208-L243 WeakPolarHBondContact CD-O 3.24Å; R208-L243 PolarHBondContact NE-O 2.92Å; R208-L243 VanDerWaalsContact NE-O 3.08Å
209	L	98.4	Very high	95.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-33.7	174.6	-61.3	178.7	0	0	0	111.9	L195 T205 V206 V207 Y212 A213 M305 F306 Y308	L195-L209 HydrophobicContact CD2-CD2 3.75Å; T205-L209 WeakPolarHBondContact O-CG 3.41Å; T205-L209 PolarHBondContact O-N 3.4Å; V206-L209 PolarHBondContact O-N 3.38Å; V207-L209 VanDerWaalsContact C-N 3.34Å; V207-L209 PolarHBondContact O-N 3.33Å; L209-Y212 HydrophobicContact CD2-CD2 4.48Å; L209-Y212 PolarHBondContact O-N 2.94Å; L209-A213 PolarHBondContact O-N 3.03Å; L209-M305 VanDerWaalsContact CD1-O 3.29Å; L209-M305 WeakPolarHBondContact CD1-O 3.45Å; L209-M305 HydrophobicContact CD2-CB 4.3Å; L209-F306 HydrophobicContact CB-CD1 4.44Å; L209-F306 HydrophobicContact CB-CE1 3.94Å; L209-F306 HydrophobicContact CB-CZ 4.34Å; L209-F306 HydrophobicContact CD1-CD1 4.05Å; L209-F306 HydrophobicContact CD1-CE1 4.35Å; L209-Y308 HydrophobicContact CD1-CE1 4.25Å; L209-Y308 HydrophobicContact CD1-CE2 4.15Å
210	C	98.5	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-45.1	171.3	-60.3	0	0	0	0	111.1	V206 V207 R208 Y212 A213 E214 Y343	V206-C210 PolarHBondContact O-N 2.95Å; V206-C210 PolarHBondContact O-SG 2.87Å; V207-C210 WeakPolarHBondContact O-CB 3.32Å; V207-C210 PolarHBondContact O-N 2.82Å; R208-C210 VanDerWaalsContact C-N 3.28Å; R208-C210 PolarHBondContact O-N 3.5Å; C210-Y212 VanDerWaalsContact C-N 3.28Å; C210-Y212 PolarHBondContact O-N 2.88Å; C210-A213 WeakPolarHBondContact O-CB 3.46Å; C210-A213 PolarHBondContact O-N 2.91Å; C210-A213 VanDerWaalsContact O-N 3.12Å; C210-E214 WeakPolarHBondContact O-CG 3.34Å; C210-E214 PolarHBondContact O-N 3.29Å; C210-Y343 HydrophobicContact CB-CE2 4.36Å; C210-Y343 WeakPolarHBondContact CB-OH 3.39Å
211	D	98.4	Very high	96.7	Very high	28 Å²	28	23.5 Å²	23.5	15%	0.15	12%	0.119	C	C	.	.	H	α-helix	trans	-56.9	-43.7	174	-56.9	-24.4	0	0	0	111	V207 R208 A213 E214 Q215 R372	V207-D211 PolarHBondContact O-N 2.75Å; R208-D211 IonicContact CZ-OD2 3.98Å; R208-D211 IonicContact NE-OD2 3.67Å; R208-D211 IonicContact NH1-OD2 2.86Å; R208-D211 PolarHBondContact NH1-OD2 3.26Å; R208-D211 WeakPolarHBondContact O-CB 3.38Å; R208-D211 PolarHBondContact O-N 3.23Å; D211-A213 VanDerWaalsContact C-N 3.35Å; D211-A213 PolarHBondContact O-N 2.83Å; D211-E214 WeakPolarHBondContact O-CB 3.39Å; D211-E214 PolarHBondContact O-N 2.85Å; D211-Q215 VanDerWaalsContact O-CG 3.26Å; D211-Q215 WeakPolarHBondContact O-CG 3.4Å; D211-Q215 PolarHBondContact O-N 3Å; D211-R372 IonicContact OD1-CZ 2.66Å; D211-R372 IonicContact OD1-NH1 2.78Å; D211-R372 PolarHBondContact OD1-NH1 3.35Å; D211-R372 IonicContact OD1-NH2 3.43Å; D211-R372 PolarHBondContact OD1-NH2 2.99Å
212	Y	98.8	Very high	97.2	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-37.4	178.1	-69.7	-4.1	0	0	0	112.5	L191 L204 R208 L209 C210 Q215 V216 L243 V246	L191-Y212 HydrophobicContact CD1-CD2 3.74Å; L191-Y212 HydrophobicContact CD1-CE2 3.71Å; L191-Y212 HydrophobicContact CD2-CD2 4.22Å; L204-Y212 HydrophobicContact CD2-CE2 3.64Å; R208-Y212 HydrophobicContact CG-CE1 4.05Å; R208-Y212 HydrophobicContact CG-CE2 4.36Å; R208-Y212 PolarHBondContact O-N 3.17Å; L209-Y212 HydrophobicContact CD2-CD2 4.48Å; L209-Y212 PolarHBondContact O-N 2.94Å; C210-Y212 VanDerWaalsContact C-N 3.28Å; C210-Y212 PolarHBondContact O-N 2.88Å; Y212-Q215 PolarHBondContact O-N 3.3Å; Y212-V216 WeakPolarHBondContact O-CB 3.46Å; Y212-V216 VanDerWaalsContact O-CG2 3.28Å; Y212-V216 WeakPolarHBondContact O-CG2 3.49Å; Y212-V216 PolarHBondContact O-N 3.21Å; Y212-L243 PolarHBondContact OH-O 3.26Å; Y212-L243 VanDerWaalsContact OH-O 3.13Å; Y212-V246 HydrophobicContact CD1-CB 4.36Å; Y212-V246 HydrophobicContact CD1-CG1 3.61Å; Y212-V246 HydrophobicContact CD1-CG2 3.85Å; Y212-V246 HydrophobicContact CD2-CG1 3.77Å; Y212-V246 HydrophobicContact CE1-CG1 3.6Å; Y212-V246 HydrophobicContact CE2-CG1 3.75Å; Y212-V246 HydrophobicContact CG-CB 4.49Å; Y212-V246 HydrophobicContact CG-CG1 3.7Å; Y212-V246 HydrophobicContact CG-CG2 3.95Å
213	A	98.8	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-44.7	173.8	0	0	0	0	0	111.7	L209 C210 D211 C217 L302 Y343	L209-A213 PolarHBondContact O-N 3.03Å; C210-A213 WeakPolarHBondContact O-CB 3.46Å; C210-A213 PolarHBondContact O-N 2.91Å; C210-A213 VanDerWaalsContact O-N 3.12Å; D211-A213 VanDerWaalsContact C-N 3.35Å; D211-A213 PolarHBondContact O-N 2.83Å; A213-C217 WeakPolarHBondContact O-CB 3.25Å; A213-C217 PolarHBondContact O-N 3.1Å; A213-L302 HydrophobicContact CB-CD2 3.39Å; A213-Y343 HydrophobicContact CB-CE1 3.78Å
214	E	98.8	Very high	97.6	Very high	54 Å²	54	17.4 Å²	17.4	25%	0.252	9%	0.086	S	C	.	.	H	α-helix	trans	-59.9	-46	175.3	-69.5	172.3	-137.2	0	0	111.4	C210 D211 C217 S218 L368 R372	C210-E214 WeakPolarHBondContact O-CG 3.34Å; C210-E214 PolarHBondContact O-N 3.29Å; D211-E214 WeakPolarHBondContact O-CB 3.39Å; D211-E214 PolarHBondContact O-N 2.85Å; E214-C217 PolarHBondContact O-N 3.21Å; E214-S218 WeakPolarHBondContact O-CB 3.36Å; E214-S218 PolarHBondContact O-N 3.26Å; E214-L368 HydrophobicContact CG-CB 3.74Å; E214-L368 HydrophobicContact CG-CD1 4.38Å; E214-R372 IonicContact OE1-NH1 3.65Å; E214-R372 PolarHBondContact OE1-NH1 3.42Å
215	Q	98.8	Very high	97.6	Very high	23 Å²	23	24.7 Å²	24.7	11%	0.107	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-46.7	179.2	-68.1	-175.3	36.3	0	0	112.7	H165 D211 Y212 C217 S218 G219 S244 V246	H165-Q215 HydrophobicContact CB-CB 4.44Å; H165-Q215 WeakPolarHBondContact CB-O 3.47Å; H165-Q215 VanDerWaalsContact CE1-CD 3.48Å; H165-Q215 WeakPolarHBondContact CE1-CG 3.34Å; H165-Q215 PolarHBondContact CE1-OE1 2.65Å; H165-Q215 PolarHBondContact ND1-OE1 3.15Å; D211-Q215 VanDerWaalsContact O-CG 3.26Å; D211-Q215 WeakPolarHBondContact O-CG 3.4Å; D211-Q215 PolarHBondContact O-N 3Å; Y212-Q215 PolarHBondContact O-N 3.3Å; Q215-C217 VanDerWaalsContact C-N 3.34Å; Q215-C217 PolarHBondContact O-N 3.2Å; Q215-S218 PolarHBondContact O-N 3.32Å; Q215-G219 PolarHBondContact O-N 3.33Å; Q215-S244 PolarHBondContact NE2-O 3.16Å; Q215-V246 HydrophobicContact CB-CG2 3.71Å; Q215-V246 HydrophobicContact CG-CG2 4.47Å; Q215-V246 PolarHBondContact OE1-O 2.89Å
216	V	98.9	Very high	97.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-44.4	176.5	171.9	0	0	0	0	110.4	Y212 S218 G219 M220 L233 I238 V246 V248 F298 M305	Y212-V216 WeakPolarHBondContact O-CB 3.46Å; Y212-V216 VanDerWaalsContact O-CG2 3.28Å; Y212-V216 WeakPolarHBondContact O-CG2 3.49Å; Y212-V216 PolarHBondContact O-N 3.21Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.49Å; V216-G219 PolarHBondContact O-N 2.9Å; V216-M220 HydrophobicContact CG1-CG 4.36Å; V216-M220 WeakPolarHBondContact O-CB 3.44Å; V216-M220 VanDerWaalsContact O-CG 3.31Å; V216-M220 WeakPolarHBondContact O-CG 3.26Å; V216-M220 PolarHBondContact O-N 2.99Å; V216-L233 HydrophobicContact CG1-CD1 4.25Å; V216-I238 HydrophobicContact CG1-CD1 3.99Å; V216-I238 HydrophobicContact CG2-CD1 3.72Å; V216-I238 HydrophobicContact CG2-CG1 3.99Å; V216-I238 HydrophobicContact CG2-CG2 3.89Å; V216-V246 HydrophobicContact CG2-CG2 4.21Å; V216-V248 HydrophobicContact CB-CG2 4.49Å; V216-V248 HydrophobicContact CG1-CG2 4.1Å; V216-F298 HydrophobicContact CB-CE2 4.32Å; V216-F298 HydrophobicContact CG1-CD2 3.96Å; V216-F298 HydrophobicContact CG1-CE2 3.93Å; V216-M305 HydrophobicContact CG2-CE 4.02Å
217	C	98.8	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-42.4	176.7	-174	0	0	0	0	112	A213 E214 Q215 M220 A221 F298 L364 L368	A213-C217 WeakPolarHBondContact O-CB 3.25Å; A213-C217 PolarHBondContact O-N 3.1Å; E214-C217 PolarHBondContact O-N 3.21Å; Q215-C217 VanDerWaalsContact C-N 3.34Å; Q215-C217 PolarHBondContact O-N 3.2Å; C217-M220 PolarHBondContact O-N 3.34Å; C217-A221 WeakPolarHBondContact O-CB 3.14Å; C217-A221 PolarHBondContact O-N 2.94Å; C217-F298 HydrophobicContact CB-CE2 4.18Å; C217-F298 HydrophobicContact CB-CZ 3.93Å; C217-L364 WeakPolarHBondContact SG-CB 3.28Å; C217-L368 HydrophobicContact CB-CD1 3.42Å; C217-L368 VanDerWaalsContact CB-CD1 3.42Å
218	S	98.7	Very high	96.6	Very high	28 Å²	28	38.3 Å²	38.3	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-46.9	176.1	177.3	0	0	0	0	111.8	H163 E214 Q215 V216 M220 A221 Y222	H163-S218 PolarHBondContact CE1-OG 3.19Å; H163-S218 VanDerWaalsContact CE1-OG 3.27Å; E214-S218 WeakPolarHBondContact O-CB 3.36Å; E214-S218 PolarHBondContact O-N 3.26Å; Q215-S218 PolarHBondContact O-N 3.32Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.49Å; S218-M220 PolarHBondContact O-N 3.17Å; S218-A221 PolarHBondContact O-N 3.07Å; S218-Y222 PolarHBondContact O-N 3.38Å; S218-Y222 VanDerWaalsContact O-N 3.14Å
219	G	98.4	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-41.7	173.4	0	0	0	0	0	113.3	I166 Q215 V216 Y222 L223	I166-G219 WeakPolarHBondContact CD1-O 3.17Å; Q215-G219 PolarHBondContact O-N 3.33Å; V216-G219 PolarHBondContact O-N 2.9Å; G219-Y222 WeakPolarHBondContact O-CB 3.27Å; G219-Y222 PolarHBondContact O-N 3.12Å; G219-L223 PolarHBondContact O-N 2.85Å
220	M	98.3	Very high	96	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-71.7	-32.6	178.4	-70.2	-59.4	-56.7	0	0	113.2	V216 C217 S218 Y222 L223 E224 H230 L233 V248 D294 F361	V216-M220 HydrophobicContact CG1-CG 4.36Å; V216-M220 WeakPolarHBondContact O-CB 3.44Å; V216-M220 VanDerWaalsContact O-CG 3.31Å; V216-M220 WeakPolarHBondContact O-CG 3.26Å; V216-M220 PolarHBondContact O-N 2.99Å; C217-M220 PolarHBondContact O-N 3.34Å; S218-M220 PolarHBondContact O-N 3.17Å; M220-Y222 VanDerWaalsContact C-N 3.32Å; M220-L223 HydrophobicContact CE-CD1 4.47Å; M220-L223 PolarHBondContact O-N 2.79Å; M220-L223 HydrophobicContact SD-CD1 3.89Å; M220-E224 WeakPolarHBondContact O-CB 3.5Å; M220-E224 PolarHBondContact O-N 3.02Å; M220-H230 HydrophobicContact CE-CB 3.78Å; M220-H230 HydrophobicContact SD-CB 4.16Å; M220-L233 HydrophobicContact CE-CD2 4.05Å; M220-L233 HydrophobicContact CG-CD1 4.37Å; M220-L233 HydrophobicContact CG-CD2 3.92Å; M220-L233 HydrophobicContact SD-CD1 3.98Å; M220-L233 HydrophobicContact SD-CD2 3.97Å; M220-L233 HydrophobicContact SD-CG 4.5Å; M220-V248 HydrophobicContact CG-CG2 4.46Å; M220-V248 HydrophobicContact SD-CG1 4.1Å; M220-D294 HydrophobicContact CE-CB 3.72Å; M220-F361 HydrophobicContact CB-CD1 3.45Å; M220-F361 VanDerWaalsContact CB-CD1 3.45Å; M220-F361 HydrophobicContact CB-CD2 3.92Å; M220-F361 HydrophobicContact CB-CE1 3.36Å; M220-F361 HydrophobicContact CB-CE2 3.84Å; M220-F361 HydrophobicContact CB-CG 3.73Å; M220-F361 HydrophobicContact CB-CZ 3.57Å; M220-F361 HydrophobicContact CE-CE2 3.74Å; M220-F361 HydrophobicContact CE-CZ 3.77Å; M220-F361 HydrophobicContact CG-CD1 4.43Å; M220-F361 HydrophobicContact CG-CE1 3.88Å; M220-F361 HydrophobicContact CG-CE2 4.49Å; M220-F361 HydrophobicContact CG-CZ 3.92Å
221	A	98.4	Very high	95.7	Very high	16 Å²	16	37.3 Å²	37.3	13%	0.132	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-40.8	172.4	0	0	0	0	0	111.4	C217 S218 L223 E224 E225 F361 V365	C217-A221 WeakPolarHBondContact O-CB 3.14Å; C217-A221 PolarHBondContact O-N 2.94Å; S218-A221 PolarHBondContact O-N 3.07Å; A221-L223 PolarHBondContact O-N 2.95Å; A221-E224 PolarHBondContact O-N 2.67Å; A221-E225 PolarHBondContact O-N 2.79Å; A221-F361 HydrophobicContact CB-CB 3.85Å; A221-V365 HydrophobicContact CB-CG2 3.69Å
222	Y	97.4	Very high	95.4	Very high	47 Å²	47	38.1 Å²	38.1	18%	0.184	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-43.2	172.8	175.4	-81.9	0	0	0	111.9	V161 D162 H163 I166 S218 G219 M220 E225 N226	V161-Y222 HydrophobicContact CB-CE1 4.33Å; V161-Y222 HydrophobicContact CG1-CD1 4.35Å; V161-Y222 HydrophobicContact CG1-CE1 3.69Å; V161-Y222 HydrophobicContact CG2-CE1 4.32Å; D162-Y222 PolarHBondContact N-OH 3.35Å; H163-Y222 HydrophobicContact CB-CD1 4.14Å; H163-Y222 HydrophobicContact CB-CD2 4.07Å; H163-Y222 HydrophobicContact CB-CE1 4.47Å; H163-Y222 HydrophobicContact CB-CE2 4.35Å; H163-Y222 HydrophobicContact CB-CG 3.94Å; H163-Y222 AromaticContact CD2-CD2 3.65Å; H163-Y222 AromaticContact CD2-CG 3.81Å; H163-Y222 AromaticContact CG-CG 3.95Å; I166-Y222 HydrophobicContact CD1-CD1 3.33Å; I166-Y222 HydrophobicContact CD1-CE1 4.04Å; I166-Y222 HydrophobicContact CD1-CG 4.04Å; S218-Y222 PolarHBondContact O-N 3.38Å; S218-Y222 VanDerWaalsContact O-N 3.14Å; G219-Y222 WeakPolarHBondContact O-CB 3.27Å; G219-Y222 PolarHBondContact O-N 3.12Å; M220-Y222 VanDerWaalsContact C-N 3.32Å; Y222-E225 PolarHBondContact O-N 3.05Å; Y222-N226 WeakPolarHBondContact CE1-ND2 3.34Å; Y222-N226 PolarHBondContact O-N 3.04Å; Y222-N226 VanDerWaalsContact O-N 3.11Å; Y222-N226 PolarHBondContact O-ND2 3.33Å
223	L	94.3	Very high	95.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-43.7	176.2	-67.7	-178.6	0	0	0	111.6	V161 I166 G219 M220 A221 E225 N226 R227 L228 F251	V161-L223 HydrophobicContact CG1-CD2 4.5Å; I166-L223 HydrophobicContact CD1-CD2 3.75Å; I166-L223 HydrophobicContact CD1-CG 3.79Å; G219-L223 PolarHBondContact O-N 2.85Å; M220-L223 HydrophobicContact CE-CD1 4.47Å; M220-L223 PolarHBondContact O-N 2.79Å; M220-L223 HydrophobicContact SD-CD1 3.89Å; A221-L223 PolarHBondContact O-N 2.95Å; L223-E225 PolarHBondContact O-N 2.81Å; L223-N226 CarbonylContact O-C 3.36Å; L223-N226 PolarHBondContact O-N 2.75Å; L223-R227 PolarHBondContact O-N 2.96Å; L223-L228 CarbonylContact C-O 3.51Å; L223-L228 HydrophobicContact CB-CB 4.16Å; L223-L228 HydrophobicContact CD2-CB 3.97Å; L223-L228 HydrophobicContact CD2-CD1 3.76Å; L223-L228 PolarHBondContact O-N 3.02Å; L223-F251 HydrophobicContact CD1-CB 4.04Å; L223-F251 HydrophobicContact CD1-CG 4.21Å; L223-F251 HydrophobicContact CD2-CD2 4.01Å; L223-F251 HydrophobicContact CD2-CE2 4.2Å; L223-F251 HydrophobicContact CD2-CG 4.31Å
224	E	93.8	Very high	95.2	Very high	42 Å²	42	38 Å²	38	20%	0.196	18%	0.177	C	C	.	.	H	α-helix	trans	-56.4	-48.1	175.4	173.6	174.3	-106.1	0	0	111.5	M220 A221 N226 R227 S291 F361 S362	M220-E224 WeakPolarHBondContact O-CB 3.5Å; M220-E224 PolarHBondContact O-N 3.02Å; A221-E224 PolarHBondContact O-N 2.67Å; E224-N226 VanDerWaalsContact C-N 3.3Å; E224-N226 PolarHBondContact O-N 3.31Å; E224-R227 PolarHBondContact O-N 2.81Å; E224-S291 WeakPolarHBondContact CG-OG 3.35Å; E224-S291 PolarHBondContact OE1-OG 3.27Å; E224-F361 HydrophobicContact CB-CD2 4.43Å; E224-F361 PolarHBondContact OE2-N 3.31Å; E224-S362 PolarHBondContact OE2-N 2.9Å; E224-S362 PolarHBondContact OE2-OG 2.87Å
225	E	94	Very high	95.2	Very high	156 Å²	156	35.5 Å²	35.5	73%	0.729	17%	0.165	S	C	*	.	H	α-helix	trans	-60	-40.5	177.9	-175	-179.4	-174.8	0	0	111.9	A221 Y222 L223 R227	A221-E225 PolarHBondContact O-N 2.79Å; Y222-E225 PolarHBondContact O-N 3.05Å; L223-E225 PolarHBondContact O-N 2.81Å; E225-R227 PolarHBondContact O-N 3.38Å
226	N	90.3	Very high	95	Very high	78 Å²	78	38 Å²	38	42%	0.417	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	5.9	176.9	-73.5	-83.4	0	0	0	113.6	Y222 L223 E224 L228	Y222-N226 WeakPolarHBondContact CE1-ND2 3.34Å; Y222-N226 PolarHBondContact O-N 3.04Å; Y222-N226 VanDerWaalsContact O-N 3.11Å; Y222-N226 PolarHBondContact O-ND2 3.33Å; L223-N226 CarbonylContact O-C 3.36Å; L223-N226 PolarHBondContact O-N 2.75Å; E224-N226 VanDerWaalsContact C-N 3.3Å; E224-N226 PolarHBondContact O-N 3.31Å; N226-L228 HydrophobicContact CB-CD1 4.17Å; N226-L228 HydrophobicContact CB-CG 4.17Å; N226-L228 PolarHBondContact O-N 3.34Å
227	R	90.3	Very high	94.9	Very high	221 Å²	221	38.6 Å²	38.6	83%	0.834	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	30.9	-179.1	-51.1	178.8	-177.6	-166.5	-1.4	113.1	L223 E224 E225	L223-R227 PolarHBondContact O-N 2.96Å; E224-R227 PolarHBondContact O-N 2.81Å; E225-R227 PolarHBondContact O-N 3.38Å
228	L	89.9	Confident	94.9	Very high	28 Å²	28	38.6 Å²	38.6	15%	0.147	18%	0.177	C	C	.	.			trans	-95.5	134.5	173.7	-60.7	176	0	0	0	108.7	I157 V161 L223 N226 F251	I157-L228 HydrophobicContact CG2-CD1 4.37Å; I157-L228 HydrophobicContact CG2-CD2 3.74Å; V161-L228 HydrophobicContact CG2-CD1 3.63Å; L223-L228 CarbonylContact C-O 3.51Å; L223-L228 HydrophobicContact CB-CB 4.16Å; L223-L228 HydrophobicContact CD2-CB 3.97Å; L223-L228 HydrophobicContact CD2-CD1 3.76Å; L223-L228 PolarHBondContact O-N 3.02Å; N226-L228 HydrophobicContact CB-CD1 4.17Å; N226-L228 HydrophobicContact CB-CG 4.17Å; N226-L228 PolarHBondContact O-N 3.34Å; L228-F251 HydrophobicContact CD1-CE2 4.44Å
229	I	90.7	Very high	94.8	Very high	33 Å²	33	39 Å²	39	17%	0.169	18%	0.176	C	C	.	.			trans	-112.8	126.6	177.8	-56.5	163.7	0	0	0	105.8	R231 R255 F289 D294	I229-R231 HydrophobicContact CB-CG 4.38Å; I229-R231 HydrophobicContact CG2-CG 3.73Å; I229-R255 VanDerWaalsContact N-NH2 3.18Å; I229-R255 PolarHBondContact O-NH2 2.89Å; I229-F289 WeakPolarHBondContact CD1-O 3.31Å; I229-F289 HydrophobicContact CG2-CB 4.21Å; I229-D294 WeakPolarHBondContact CA-OD2 3.41Å; I229-D294 VanDerWaalsContact CG2-OD2 3.32Å; I229-D294 WeakPolarHBondContact CG2-OD2 3.21Å
230	H	92.3	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.			trans	-72.6	-46.8	-176.1	-169.3	-65.3	0	0	0	111.8	M220 D232 L233 V248 A249 F251 D294	M220-H230 HydrophobicContact CE-CB 3.78Å; M220-H230 HydrophobicContact SD-CB 4.16Å; H230-D232 VanDerWaalsContact CE1-C 3.43Å; H230-D232 PolarHBondContact CE1-O 3Å; H230-D232 PolarHBondContact ND1-N 3.49Å; H230-D232 PolarHBondContact ND1-O 2.87Å; H230-D232 PolarHBondContact O-N 3.29Å; H230-L233 PolarHBondContact ND1-N 2.88Å; H230-L233 VanDerWaalsContact ND1-N 3.16Å; H230-V248 WeakPolarHBondContact CD2-CG1 3.18Å; H230-V248 VanDerWaalsContact NE2-CG1 3.27Å; H230-V248 WeakPolarHBondContact NE2-CG1 3.46Å; H230-A249 PolarHBondContact CE1-O 2.97Å; H230-A249 PolarHBondContact NE2-O 3.2Å; H230-F251 VanDerWaalsContact CD2-CB 3.48Å; H230-F251 WeakPolarHBondContact CD2-CB 3.47Å; H230-D294 PolarHBondContact N-OD2 2.83Å
231	R	91.3	Very high	94.6	Very high	24 Å²	24	40.4 Å²	40.4	9%	0.091	18%	0.182	C	C	.	.	S	Bend	trans	70.2	-24.6	179.4	-50.9	-179.3	174.7	-172.6	-4.3	116.5	I229 S254 R255 F289 D294	I229-R231 HydrophobicContact CB-CG 4.38Å; I229-R231 HydrophobicContact CG2-CG 3.73Å; R231-S254 WeakPolarHBondContact CD-OG 3.1Å; R231-R255 VanDerWaalsContact CZ-CG 3.48Å; R231-F289 HydrophobicContact CB-CD1 3.97Å; R231-F289 HydrophobicContact CB-CE1 4.31Å; R231-F289 HydrophobicContact CG-CB 4.06Å; R231-F289 HydrophobicContact CG-CD1 3.87Å; R231-F289 HydrophobicContact CG-CG 4.02Å; R231-D294 PolarHBondContact N-OD1 2.91Å
232	D	91.6	Very high	94.3	Very high	45 Å²	45	41.5 Å²	41.5	24%	0.241	19%	0.19	C	C	.	.			trans	-127	43.1	178.7	-166.2	28.8	0	0	0	112.8	H230 A234 R236 N237 P275	H230-D232 VanDerWaalsContact CE1-C 3.43Å; H230-D232 PolarHBondContact CE1-O 3Å; H230-D232 PolarHBondContact ND1-N 3.49Å; H230-D232 PolarHBondContact ND1-O 2.87Å; H230-D232 PolarHBondContact O-N 3.29Å; D232-A234 PolarHBondContact O-N 3.01Å; D232-R236 IonicContact OD1-CZ 3.22Å; D232-R236 IonicContact OD1-NE 2.75Å; D232-R236 IonicContact OD1-NH2 2.92Å; D232-R236 PolarHBondContact OD1-NH2 3.35Å; D232-R236 IonicContact OD2-NE 3.64Å; D232-R236 IonicContact OD2-NH2 3.92Å; D232-N237 VanDerWaalsContact CG-ND2 3.27Å; D232-N237 PolarHBondContact O-ND2 2.96Å; D232-N237 PolarHBondContact OD2-ND2 3.1Å; D232-P275 WeakPolarHBondContact OD1-CG 3.47Å
233	L	97	Very high	94	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.			trans	-73.6	118.9	179.8	-178	65.1	0	0	0	109.8	V216 M220 H230 I238 V248 S297 F298 T301 F361	V216-L233 HydrophobicContact CG1-CD1 4.25Å; M220-L233 HydrophobicContact CE-CD2 4.05Å; M220-L233 HydrophobicContact CG-CD1 4.37Å; M220-L233 HydrophobicContact CG-CD2 3.92Å; M220-L233 HydrophobicContact SD-CD1 3.98Å; M220-L233 HydrophobicContact SD-CD2 3.97Å; M220-L233 HydrophobicContact SD-CG 4.5Å; H230-L233 PolarHBondContact ND1-N 2.88Å; H230-L233 VanDerWaalsContact ND1-N 3.16Å; L233-I238 HydrophobicContact CD1-CD1 3.87Å; L233-V248 HydrophobicContact CD1-CG1 4.23Å; L233-S297 WeakPolarHBondContact O-CB 3.49Å; L233-F298 HydrophobicContact CD2-CB 3.72Å; L233-F298 HydrophobicContact CD2-CD2 4.3Å; L233-T301 PolarHBondContact O-OG1 2.93Å; L233-F361 HydrophobicContact CD2-CZ 4.38Å
234	A	97.4	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-161.3	161.6	-178.5	0	0	0	0	0	109.9	D232 R236 N237 I238 W278 T301	D232-A234 PolarHBondContact O-N 3.01Å; A234-R236 HydrophobicContact CB-CG 3.91Å; A234-R236 PolarHBondContact O-N 2.88Å; A234-R236 VanDerWaalsContact O-N 3.09Å; A234-N237 PolarHBondContact O-N 3.39Å; A234-I238 PolarHBondContact O-N 3.45Å; A234-W278 HydrophobicContact CB-CD2 4.31Å; A234-W278 HydrophobicContact CB-CG 4.15Å; A234-T301 VanDerWaalsContact CA-OG1 3.32Å; A234-T301 WeakPolarHBondContact CA-OG1 3.46Å
235	A	98.2	Very high	94.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.3	-26	180	0	0	0	0	0	113.8	A192 L195 N237 I238 E304	A192-A235 HydrophobicContact CB-CB 4.12Å; A192-A235 PolarHBondContact N-O 2.87Å; A192-A235 VanDerWaalsContact N-O 3.16Å; L195-A235 HydrophobicContact CD1-CB 4.49Å; A235-N237 VanDerWaalsContact C-N 3.26Å; A235-N237 PolarHBondContact O-N 2.81Å; A235-I238 PolarHBondContact O-N 3.2Å; A235-E304 HydrophobicContact CB-CB 3.92Å; A235-E304 HydrophobicContact CB-CG 4.45Å; A235-E304 PolarHBondContact N-OE2 2.85Å
236	R	95.6	Very high	94.4	Very high	77 Å²	77	39.9 Å²	39.9	29%	0.291	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-65.6	-26.2	173.5	62.5	172.8	172.9	-78.5	-2.9	113.7	S190 A192 D232 A234 W278	S190-R236 VanDerWaalsContact CB-O 3.31Å; S190-R236 WeakPolarHBondContact CB-O 3.48Å; A192-R236 HydrophobicContact CB-CB 4.29Å; D232-R236 IonicContact OD1-CZ 3.22Å; D232-R236 IonicContact OD1-NE 2.75Å; D232-R236 IonicContact OD1-NH2 2.92Å; D232-R236 PolarHBondContact OD1-NH2 3.35Å; D232-R236 IonicContact OD2-NE 3.64Å; D232-R236 IonicContact OD2-NH2 3.92Å; A234-R236 HydrophobicContact CB-CG 3.91Å; A234-R236 PolarHBondContact O-N 2.88Å; A234-R236 VanDerWaalsContact O-N 3.09Å; R236-W278 VanDerWaalsContact NH1-CH2 3.25Å
237	N	96.1	Very high	94.8	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-102.7	9.6	-179.2	-68.4	-17.4	0	0	0	111.9	D232 A234 A235 A249	D232-N237 VanDerWaalsContact CG-ND2 3.27Å; D232-N237 PolarHBondContact O-ND2 2.96Å; D232-N237 PolarHBondContact OD2-ND2 3.1Å; A234-N237 PolarHBondContact O-N 3.39Å; A235-N237 VanDerWaalsContact C-N 3.26Å; A235-N237 PolarHBondContact O-N 2.81Å; N237-A249 WeakPolarHBondContact O-CB 3.49Å; N237-A249 PolarHBondContact O-N 3.47Å
238	I	98.4	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.2	165.4	-54	-49	0	0	0	107	S190 L191 V216 L233 A234 A235 V246 V248 T301	S190-I238 CarbonylContact C-O 3.48Å; S190-I238 WeakPolarHBondContact CA-O 3.33Å; L191-I238 HydrophobicContact CB-CB 3.94Å; L191-I238 HydrophobicContact CB-CG2 4.07Å; L191-I238 HydrophobicContact CD2-CB 4.18Å; L191-I238 HydrophobicContact CD2-CG2 3.94Å; L191-I238 PolarHBondContact N-O 3.35Å; V216-I238 HydrophobicContact CG1-CD1 3.99Å; V216-I238 HydrophobicContact CG2-CD1 3.72Å; V216-I238 HydrophobicContact CG2-CG1 3.99Å; V216-I238 HydrophobicContact CG2-CG2 3.89Å; L233-I238 HydrophobicContact CD1-CD1 3.87Å; A234-I238 PolarHBondContact O-N 3.45Å; A235-I238 PolarHBondContact O-N 3.2Å; I238-V246 HydrophobicContact CG2-CB 3.74Å; I238-V246 HydrophobicContact CG2-CG1 4.24Å; I238-V246 HydrophobicContact CG2-CG2 4.19Å; I238-V248 HydrophobicContact CD1-CB 4.35Å; I238-V248 HydrophobicContact CD1-CG1 4.44Å; I238-V248 HydrophobicContact CD1-CG2 3.88Å; I238-T301 HydrophobicContact CG1-CG2 4.28Å
239	L	97.8	Very high	95.4	Very high	35 Å²	35	25.7 Å²	25.7	18%	0.183	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.5	-180	-61.1	-171.4	0	0	0	111.2	V167 A186 R189 F241 V246 K247 A249	V167-L239 HydrophobicContact CG2-CB 4.37Å; V167-L239 HydrophobicContact CG2-CD1 3.97Å; V167-L239 HydrophobicContact CG2-CG 4.37Å; A186-L239 HydrophobicContact CB-CB 3.58Å; A186-L239 HydrophobicContact CB-CD1 3.87Å; A186-L239 HydrophobicContact CB-CG 4.24Å; R189-L239 WeakPolarHBondContact O-CA 2.88Å; L239-F241 HydrophobicContact CB-CE2 3.99Å; L239-V246 CarbonylContact O-C 3.51Å; L239-V246 VanDerWaalsContact O-CA 3.26Å; L239-V246 WeakPolarHBondContact O-CA 3.26Å; L239-K247 PolarHBondContact N-O 2.96Å; L239-K247 PolarHBondContact O-N 3.47Å; L239-A249 HydrophobicContact CD1-CB 3.81Å; L239-A249 HydrophobicContact CG-CB 3.73Å
240	V	96.4	Very high	95.1	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.2	-177.4	-169.6	0	0	0	0	109.2	L188 R189 L191 C194 S242 V246	L188-V240 HydrophobicContact CB-CB 3.85Å; L188-V240 HydrophobicContact CB-CG1 3.95Å; L188-V240 WeakPolarHBondContact CB-O 3.44Å; L188-V240 HydrophobicContact CD1-CG1 3.81Å; L188-V240 HydrophobicContact CG-CG1 4.47Å; L188-V240 PolarHBondContact N-O 3.02Å; R189-V240 PolarHBondContact O-N 3.45Å; L191-V240 HydrophobicContact CB-CG2 3.99Å; L191-V240 HydrophobicContact CD1-CG2 4.07Å; C194-V240 HydrophobicContact CB-CG2 4.41Å; V240-S242 VanDerWaalsContact CG1-O 3.32Å; V240-S242 WeakPolarHBondContact CG1-O 3.49Å; V240-V246 HydrophobicContact CB-CG1 4.47Å; V240-V246 HydrophobicContact CG1-CG1 4.37Å; V240-V246 HydrophobicContact CG2-CG1 4.07Å
241	F	94.9	Very high	94.3	Very high	30 Å²	30	27.5 Å²	27.5	13%	0.132	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-35.9	179.5	-79	-98.4	0	0	0	111.7	V167 E184 L185 A186 L239 Q245 K247	V167-F241 HydrophobicContact CG2-CE2 4.02Å; V167-F241 HydrophobicContact CG2-CZ 4.24Å; E184-F241 HydrophobicContact CB-CE1 4.13Å; E184-F241 HydrophobicContact CB-CZ 4.38Å; E184-F241 VanDerWaalsContact CD-CE1 3.45Å; E184-F241 HydrophobicContact CG-CE1 3.74Å; E184-F241 HydrophobicContact CG-CZ 3.56Å; E184-F241 WeakPolarHBondContact OE2-CE1 3.41Å; L185-F241 WeakPolarHBondContact O-CE1 3.46Å; A186-F241 HydrophobicContact CB-CD2 4.22Å; A186-F241 HydrophobicContact CB-CE1 4.28Å; A186-F241 HydrophobicContact CB-CE2 3.8Å; A186-F241 HydrophobicContact CB-CZ 3.82Å; L239-F241 HydrophobicContact CB-CE2 3.99Å; F241-Q245 HydrophobicContact CB-CB 4.37Å; F241-Q245 HydrophobicContact CB-CG 4.41Å; F241-Q245 PolarHBondContact N-O 3.26Å; F241-K247 HydrophobicContact CD2-CB 4.1Å; F241-K247 HydrophobicContact CD2-CD 3.8Å; F241-K247 HydrophobicContact CD2-CG 3.64Å; F241-K247 HydrophobicContact CE2-CB 3.81Å; F241-K247 HydrophobicContact CE2-CD 3.6Å; F241-K247 HydrophobicContact CE2-CG 3.72Å; F241-K247 HydrophobicContact CG-CD 4.39Å; F241-K247 HydrophobicContact CZ-CD 4.04Å
242	S	93.1	Very high	93	Very high	40 Å²	40	26.9 Å²	26.9	28%	0.28	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	170.7	170.9	64.7	0	0	0	0	108.6	V240 S244 Q245	V240-S242 VanDerWaalsContact CG1-O 3.32Å; V240-S242 WeakPolarHBondContact CG1-O 3.49Å; S242-S244 PolarHBondContact O-N 3.02Å; S242-S244 PolarHBondContact OG-N 2.89Å; S242-S244 PolarHBondContact OG-OG 3.42Å; S242-Q245 PolarHBondContact N-O 3.21Å; S242-Q245 PolarHBondContact O-N 3.12Å; S242-Q245 VanDerWaalsContact O-O 3.08Å; S242-Q245 WeakPolarHBondContact OG-CB 3.49Å; S242-Q245 PolarHBondContact OG-N 3.14Å
243	L	91	Very high	91.4	Very high	76 Å²	76	25.4 Å²	25.4	40%	0.398	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.8	174.4	-66.2	177.3	0	0	0	113.7	L188 F200 A203 R208 Y212	L188-L243 HydrophobicContact CD1-CD2 4.45Å; F200-L243 HydrophobicContact CD1-CD2 4.09Å; F200-L243 HydrophobicContact CE1-CD2 4.27Å; A203-L243 HydrophobicContact CB-CD1 3.99Å; A203-L243 HydrophobicContact CB-CD2 3.98Å; R208-L243 WeakPolarHBondContact CD-O 3.24Å; R208-L243 PolarHBondContact NE-O 2.92Å; R208-L243 VanDerWaalsContact NE-O 3.08Å; Y212-L243 PolarHBondContact OH-O 3.26Å; Y212-L243 VanDerWaalsContact OH-O 3.13Å
244	S	94.1	Very high	89.3	Confident	71 Å²	71	27 Å²	27	50%	0.497	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-1.3	175.8	55.9	0	0	0	0	113.5	Q215 S242	Q215-S244 PolarHBondContact NE2-O 3.16Å; S242-S244 PolarHBondContact O-N 3.02Å; S242-S244 PolarHBondContact OG-N 2.89Å; S242-S244 PolarHBondContact OG-OG 3.42Å
245	Q	97.6	Very high	87.1	Confident	65 Å²	65	30.7 Å²	30.7	30%	0.304	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	121.3	-174	-169.4	177	54.8	0	0	112.6	F241 S242	F241-Q245 HydrophobicContact CB-CB 4.37Å; F241-Q245 HydrophobicContact CB-CG 4.41Å; F241-Q245 PolarHBondContact N-O 3.26Å; S242-Q245 PolarHBondContact N-O 3.21Å; S242-Q245 PolarHBondContact O-N 3.12Å; S242-Q245 VanDerWaalsContact O-O 3.08Å; S242-Q245 WeakPolarHBondContact OG-CB 3.49Å; S242-Q245 PolarHBondContact OG-N 3.14Å
246	V	98.7	Very high	84.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.6	169.6	-64.3	0	0	0	0	110.9	H165 Y212 Q215 V216 I238 L239 V240	H165-V246 PolarHBondContact ND1-O 2.84Å; Y212-V246 HydrophobicContact CD1-CB 4.36Å; Y212-V246 HydrophobicContact CD1-CG1 3.61Å; Y212-V246 HydrophobicContact CD1-CG2 3.85Å; Y212-V246 HydrophobicContact CD2-CG1 3.77Å; Y212-V246 HydrophobicContact CE1-CG1 3.6Å; Y212-V246 HydrophobicContact CE2-CG1 3.75Å; Y212-V246 HydrophobicContact CG-CB 4.49Å; Y212-V246 HydrophobicContact CG-CG1 3.7Å; Y212-V246 HydrophobicContact CG-CG2 3.95Å; Q215-V246 HydrophobicContact CB-CG2 3.71Å; Q215-V246 HydrophobicContact CG-CG2 4.47Å; Q215-V246 PolarHBondContact OE1-O 2.89Å; V216-V246 HydrophobicContact CG2-CG2 4.21Å; I238-V246 HydrophobicContact CG2-CB 3.74Å; I238-V246 HydrophobicContact CG2-CG1 4.24Å; I238-V246 HydrophobicContact CG2-CG2 4.19Å; L239-V246 CarbonylContact O-C 3.51Å; L239-V246 VanDerWaalsContact O-CA 3.26Å; L239-V246 WeakPolarHBondContact O-CA 3.26Å; V240-V246 HydrophobicContact CB-CG1 4.47Å; V240-V246 HydrophobicContact CG1-CG1 4.37Å; V240-V246 HydrophobicContact CG2-CG1 4.07Å
247	K	98.7	Very high	82.2	Confident	23 Å²	23	29.7 Å²	29.7	10%	0.1	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.3	177.2	-54.6	-169.3	-175.8	-172.9	0	111.3	E164 H165 V167 E184 L239 F241	E164-K247 WeakPolarHBondContact O-CD 3.27Å; E164-K247 WeakPolarHBondContact O-CE 3.24Å; E164-K247 WeakPolarHBondContact O-CG 3.41Å; H165-K247 CarbonylContact O-C 3.6Å; H165-K247 WeakPolarHBondContact O-CA 3.44Å; V167-K247 HydrophobicContact CG2-CB 3.7Å; E184-K247 WeakPolarHBondContact OE1-CD 3.34Å; E184-K247 IonicContact OE1-NZ 3.26Å; E184-K247 PolarHBondContact OE1-NZ 2.91Å; E184-K247 IonicContact OE2-NZ 3.66Å; E184-K247 PolarHBondContact OE2-NZ 3.04Å; L239-K247 PolarHBondContact N-O 2.96Å; L239-K247 PolarHBondContact O-N 3.47Å; F241-K247 HydrophobicContact CD2-CB 4.1Å; F241-K247 HydrophobicContact CD2-CD 3.8Å; F241-K247 HydrophobicContact CD2-CG 3.64Å; F241-K247 HydrophobicContact CE2-CB 3.81Å; F241-K247 HydrophobicContact CE2-CD 3.6Å; F241-K247 HydrophobicContact CE2-CG 3.72Å; F241-K247 HydrophobicContact CG-CD 4.39Å; F241-K247 HydrophobicContact CZ-CD 4.04Å
248	V	98.2	Very high	79.6	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.7	173.6	-177.3	0	0	0	0	109.5	H165 V167 V216 M220 H230 L233 I238	H165-V248 PolarHBondContact O-N 3.05Å; V167-V248 PolarHBondContact N-O 2.83Å; V216-V248 HydrophobicContact CB-CG2 4.49Å; V216-V248 HydrophobicContact CG1-CG2 4.1Å; M220-V248 HydrophobicContact CG-CG2 4.46Å; M220-V248 HydrophobicContact SD-CG1 4.1Å; H230-V248 WeakPolarHBondContact CD2-CG1 3.18Å; H230-V248 VanDerWaalsContact NE2-CG1 3.27Å; H230-V248 WeakPolarHBondContact NE2-CG1 3.46Å; L233-V248 HydrophobicContact CD1-CG1 4.23Å; I238-V248 HydrophobicContact CD1-CB 4.35Å; I238-V248 HydrophobicContact CD1-CG1 4.44Å; I238-V248 HydrophobicContact CD1-CG2 3.88Å
249	A	94.1	Very high	77	Confident	6 Å²	6	32.7 Å²	32.7	5%	0.05	19%	0.193	C	C	.	.			trans	-122.4	169.8	-176.9	0	0	0	0	0	112	V167 H230 N237 L239 F251	V167-A249 HydrophobicContact CB-CB 4.1Å; V167-A249 HydrophobicContact CG2-CB 3.62Å; H230-A249 PolarHBondContact CE1-O 2.97Å; H230-A249 PolarHBondContact NE2-O 3.2Å; N237-A249 WeakPolarHBondContact O-CB 3.49Å; N237-A249 PolarHBondContact O-N 3.47Å; L239-A249 HydrophobicContact CD1-CB 3.81Å; L239-A249 HydrophobicContact CG-CB 3.73Å; A249-F251 PolarHBondContact O-N 3.34Å; A249-F251 VanDerWaalsContact O-N 3.1Å
250	D	84.1	Confident	74.4	Confident	62 Å²	62	31.8 Å²	31.8	33%	0.332	19%	0.192	S	C	.	.	S	Bend	trans	57.7	24.9	171.3	-80.6	-18.6	0	0	0	115.7	K137 L253	K137-D250 IonicContact NZ-OD1 3.73Å; K137-D250 PolarHBondContact NZ-OD1 3.09Å; K137-D250 IonicContact NZ-OD2 3.34Å; K137-D250 PolarHBondContact NZ-OD2 3.16Å; D250-L253 HydrophobicContact CB-CD1 4.48Å; D250-L253 WeakPolarHBondContact OD1-CD1 3.42Å
251	F	75.3	Confident	71.8	Confident	9 Å²	9	39.7 Å²	39.7	4%	0.039	23%	0.228	C	C	.	.			trans	-70.6	145.5	172.2	68.1	-86.9	0	0	0	111.6	M158 V161 I166 L223 L228 H230 A249 L253	M158-F251 HydrophobicContact CB-CE2 4.43Å; M158-F251 HydrophobicContact CB-CZ 4.45Å; M158-F251 WeakPolarHBondContact CE-O 3.06Å; M158-F251 HydrophobicContact CG-CE2 3.95Å; M158-F251 HydrophobicContact CG-CZ 4.36Å; V161-F251 HydrophobicContact CB-CE2 4.25Å; V161-F251 HydrophobicContact CB-CZ 3.78Å; V161-F251 HydrophobicContact CG1-CE1 4.27Å; V161-F251 HydrophobicContact CG1-CE2 4.32Å; V161-F251 HydrophobicContact CG1-CZ 3.67Å; V161-F251 HydrophobicContact CG2-CE2 3.8Å; V161-F251 HydrophobicContact CG2-CZ 3.87Å; I166-F251 HydrophobicContact CG2-CD1 3.84Å; I166-F251 HydrophobicContact CG2-CE1 3.28Å; I166-F251 HydrophobicContact CG2-CZ 4.03Å; L223-F251 HydrophobicContact CD1-CB 4.04Å; L223-F251 HydrophobicContact CD1-CG 4.21Å; L223-F251 HydrophobicContact CD2-CD2 4.01Å; L223-F251 HydrophobicContact CD2-CE2 4.2Å; L223-F251 HydrophobicContact CD2-CG 4.31Å; L228-F251 HydrophobicContact CD1-CE2 4.44Å; H230-F251 VanDerWaalsContact CD2-CB 3.48Å; H230-F251 WeakPolarHBondContact CD2-CB 3.47Å; A249-F251 PolarHBondContact O-N 3.34Å; A249-F251 VanDerWaalsContact O-N 3.1Å; F251-L253 PolarHBondContact O-N 3.21Å
252	G	63.9	Low	69	Low	10 Å²	10	44 Å²	44	10%	0.103	25%	0.249	C	C	.	.	S	Bend	trans	78.2	-25.5	170.6	0	0	0	0	0	116.3	E154 S254 R255	E154-G252 VanDerWaalsContact OE2-O 3.08Å; G252-S254 PolarHBondContact O-N 3.36Å; G252-R255 PolarHBondContact O-N 3.33Å
253	L	58.2	Low	66.1	Low	14 Å²	14	51 Å²	51	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-23.9	-176	-68.6	177.6	0	0	0	115	K137 M158 L181 D250 F251 R255 A256 L257	K137-L253 HydrophobicContact CD-CD1 4.48Å; M158-L253 HydrophobicContact CE-CD2 3.97Å; M158-L253 HydrophobicContact CE-CG 4.09Å; M158-L253 HydrophobicContact SD-CD2 3.78Å; M158-L253 HydrophobicContact SD-CG 4.33Å; L181-L253 HydrophobicContact CD1-CD1 3.81Å; L181-L253 HydrophobicContact CD1-CD2 3.48Å; L181-L253 VanDerWaalsContact CD1-CD2 3.48Å; L181-L253 HydrophobicContact CD1-CG 4.31Å; L181-L253 HydrophobicContact CD2-CD2 4.35Å; D250-L253 HydrophobicContact CB-CD1 4.48Å; D250-L253 WeakPolarHBondContact OD1-CD1 3.42Å; F251-L253 PolarHBondContact O-N 3.21Å; L253-R255 VanDerWaalsContact C-N 3.25Å; L253-R255 PolarHBondContact O-N 3.1Å; L253-A256 PolarHBondContact O-N 2.85Å; L253-L257 WeakPolarHBondContact O-CG 3.09Å; L253-L257 PolarHBondContact O-N 3.3Å; L253-L257 VanDerWaalsContact O-N 3.13Å
254	S	52.4	Low	62.9	Low	35 Å²	35	56.3 Å²	56.3	25%	0.245	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-28.4	174.7	51.6	0	0	0	0	112.6	R231 G252 A259	R231-S254 WeakPolarHBondContact CD-OG 3.1Å; G252-S254 PolarHBondContact O-N 3.36Å; S254-A259 VanDerWaalsContact O-CA 3.32Å; S254-A259 WeakPolarHBondContact O-CA 3.16Å; S254-A259 WeakPolarHBondContact O-CB 3.14Å; S254-A259 PolarHBondContact O-N 3.44Å
255	R	52.5	Low	59.7	Low	77 Å²	77	59.7 Å²	59.7	29%	0.291	29%	0.294	S	S	.	.	H	α-helix	trans	-74	-44.9	172	-66.5	-179.5	-130.7	-172.2	1.8	111	E154 I229 R231 G252 L253 L257 G258	E154-R255 VanDerWaalsContact CD-CB 3.49Å; E154-R255 WeakPolarHBondContact OE1-CB 3.38Å; E154-R255 WeakPolarHBondContact OE2-CB 3.29Å; I229-R255 VanDerWaalsContact N-NH2 3.18Å; I229-R255 PolarHBondContact O-NH2 2.89Å; R231-R255 VanDerWaalsContact CZ-CG 3.48Å; G252-R255 PolarHBondContact O-N 3.33Å; L253-R255 VanDerWaalsContact C-N 3.25Å; L253-R255 PolarHBondContact O-N 3.1Å; R255-L257 PolarHBondContact O-N 2.75Å; R255-L257 VanDerWaalsContact O-N 3.1Å; R255-G258 PolarHBondContact O-N 2.87Å
256	A	44.5	Very low	56.4	Low	2 Å²	2	61.3 Å²	61.3	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-23.9	-177.2	0	0	0	0	0	113	A146 F151 E154 L253	A146-A256 WeakPolarHBondContact CB-O 3.24Å; F151-A256 HydrophobicContact CD2-CB 3.88Å; E154-A256 HydrophobicContact CB-CB 4.09Å; E154-A256 HydrophobicContact CG-CB 4.4Å; E154-A256 VanDerWaalsContact OE1-CA 3.31Å; E154-A256 WeakPolarHBondContact OE1-CA 3.2Å; E154-A256 PolarHBondContact OE1-N 3.02Å; E154-A256 WeakPolarHBondContact OE2-CA 3.26Å; E154-A256 WeakPolarHBondContact OE2-CB 3.49Å; E154-A256 PolarHBondContact OE2-N 2.89Å; L253-A256 PolarHBondContact O-N 2.85Å
257	L	46.6	Very low	53.5	Low	53 Å²	53	68.7 Å²	68.7	28%	0.277	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	5.6	176.8	-63.2	175.8	0	0	0	113.1	L253 R255	L253-L257 WeakPolarHBondContact O-CG 3.09Å; L253-L257 PolarHBondContact O-N 3.3Å; L253-L257 VanDerWaalsContact O-N 3.13Å; R255-L257 PolarHBondContact O-N 2.75Å; R255-L257 VanDerWaalsContact O-N 3.1Å
258	G	41.4	Very low	50.8	Low	41 Å²	41	74 Å²	74	42%	0.423	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	12.5	177.5	0	0	0	0	0	115.1	R255 G260	R255-G258 PolarHBondContact O-N 2.87Å; G258-G260 PolarHBondContact O-N 3.15Å
259	A	44.3	Very low	48.1	Very low	36 Å²	36	76.2 Å²	76.2	30%	0.298	40%	0.396	S	S	.	.	S	Bend	trans	-83.5	17.3	-175.9	0	0	0	0	0	114.5	S254 L272	S254-A259 VanDerWaalsContact O-CA 3.32Å; S254-A259 WeakPolarHBondContact O-CA 3.16Å; S254-A259 WeakPolarHBondContact O-CB 3.14Å; S254-A259 PolarHBondContact O-N 3.44Å; A259-L272 HydrophobicContact CB-CD2 3.81Å
260	G	41.8	Very low	45.8	Very low	15 Å²	15	81.7 Å²	81.7	16%	0.155	43%	0.428	C	S	.	.	S	Bend	trans	-162.7	12.7	-168.5	0	0	0	0	0	120	G258	G258-G260 PolarHBondContact O-N 3.15Å
261	E	41.4	Very low	44.1	Very low	168 Å²	168	86 Å²	86	79%	0.785	45%	0.452	S	S	*	.			trans	-88.1	-5.6	169	-81.4	-86.8	130.8	0	0	112.3	Y263	E261-Y263 PolarHBondContact O-N 3.1Å
262	E	36.9	Very low	43.3	Very low	121 Å²	121	87.8 Å²	87.8	57%	0.565	46%	0.461	S	S	*	.			trans	-81.5	72.2	176.5	-65	-175.6	-169	0	0	111	Y264	E262-Y264 PolarHBondContact O-N 3.2Å
263	Y	31.6	Very low	43.7	Very low	188 Å²	188	94.5 Å²	94.5	74%	0.737	49%	0.488	S	S	*	.			trans	-65.4	110.3	155.9	-78.9	-94.6	0	0	0	107.4	E261	E261-Y263 PolarHBondContact O-N 3.1Å
264	Y	23.8	Very low	44.9	Very low	187 Å²	187	96 Å²	96	73%	0.733	50%	0.496	S	S	*	.			trans	90.6	104.3	163.7	-127.2	-54.1	0	0	0	118.2	E262	E262-Y264 PolarHBondContact O-N 3.2Å
265	H	26.9	Very low	46.8	Very low	141 Å²	141	96 Å²	96	65%	0.653	49%	0.494	S	S	*	.				154.9	121.5	115.8	-84.6	89.4	0	0	0	112.1
266	S	29.9	Very low	48.7	Very low	99 Å²	99	94.1 Å²	94.1	69%	0.692	49%	0.49	S	S	*	.			trans	31.2	132.6	142	59.2	0	0	0	0	121.5
267	N	36.4	Very low	51.2	Low	155 Å²	155	94.5 Å²	94.5	83%	0.829	49%	0.493	S	S	*	.	S	Bend	trans	47.8	85.1	164.8	-70.5	-8.9	0	0	0	115.7
268	I	42.2	Very low	53.6	Low	136 Å²	136	93 Å²	93	70%	0.697	48%	0.483	S	S	*	.			trans	75.8	76.1	152.2	-48.7	168.8	0	0	0	112.3	V270	I268-V270 HydrophobicContact CG2-CB 4.23Å; I268-V270 HydrophobicContact CG2-CG1 4.13Å; I268-V270 HydrophobicContact CG2-CG2 4.08Å; I268-V270 WeakPolarHBondContact O-CG2 3.32Å; I268-V270 PolarHBondContact O-N 3.13Å
269	S	42.4	Very low	56.2	Low	45 Å²	45	91.2 Å²	91.2	32%	0.315	46%	0.464	S	S	.	.			trans	-63.4	94	149.2	69.2	0	0	0	0	106.4	N271 L272	S269-N271 PolarHBondContact O-N 3.44Å; S269-L272 PolarHBondContact O-N 3.39Å; S269-L272 WeakPolarHBondContact OG-CB 3.37Å
270	V	44.5	Very low	58.7	Low	122 Å²	122	89.5 Å²	89.5	74%	0.739	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-11.8	-170.2	-144.7	0	0	0	0	113.3	I268	I268-V270 HydrophobicContact CG2-CB 4.23Å; I268-V270 HydrophobicContact CG2-CG1 4.13Å; I268-V270 HydrophobicContact CG2-CG2 4.08Å; I268-V270 WeakPolarHBondContact O-CG2 3.32Å; I268-V270 PolarHBondContact O-N 3.13Å
271	N	49.2	Very low	61.3	Low	153 Å²	153	88.9 Å²	88.9	82%	0.818	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-9.1	-173.6	-60.5	-41.2	0	0	0	115.3	S269 K273	S269-N271 PolarHBondContact O-N 3.44Å; N271-K273 PolarHBondContact O-N 3.04Å
272	L	59.2	Low	63.8	Low	45 Å²	45	81.8 Å²	81.8	24%	0.236	41%	0.41	C	S	.	.			trans	-95.6	98.4	-179.3	-60.6	-178	0	0	0	111.2	A259 S269 L274 L287	A259-L272 HydrophobicContact CB-CD2 3.81Å; S269-L272 PolarHBondContact O-N 3.39Å; S269-L272 WeakPolarHBondContact OG-CB 3.37Å; L272-L274 PolarHBondContact O-N 3.15Å; L272-L274 VanDerWaalsContact O-N 3.14Å; L272-L287 HydrophobicContact CD1-CD1 4.47Å
273	K	71.5	Confident	66.5	Low	152 Å²	152	76.1 Å²	76.1	66%	0.661	38%	0.384	S	S	*	.			trans	-77.3	92.7	171.3	-71.6	179.8	178.7	169.9	0	110.2	E113 N271	E113-K273 IonicContact OE1-NZ 2.75Å; E113-K273 PolarHBondContact OE1-NZ 3.38Å; E113-K273 IonicContact OE2-NZ 3.06Å; E113-K273 PolarHBondContact OE2-NZ 3.12Å; N271-K273 PolarHBondContact O-N 3.04Å
274	L	83.9	Confident	69.3	Low	46 Å²	46	68.6 Å²	68.6	24%	0.241	36%	0.356	C	S	.	.			trans	-76.2	144.1	173.4	-66	-179.4	0	0	0	111.9	L272 I276 L287 F289	L272-L274 PolarHBondContact O-N 3.15Å; L272-L274 VanDerWaalsContact O-N 3.14Å; L274-I276 HydrophobicContact CB-CD1 3.72Å; L274-I276 HydrophobicContact CB-CG1 4.4Å; L274-I276 HydrophobicContact CD1-CD1 4.34Å; L274-I276 PolarHBondContact O-N 3.03Å; L274-L287 HydrophobicContact CD1-CD2 3.69Å; L274-F289 HydrophobicContact CD2-CZ 3.8Å
275	P	91.2	Very high	72.5	Confident	33 Å²	33	62.5 Å²	62.5	21%	0.214	34%	0.338	C	S	.	.			trans	-77.2	67.7	172	34.3	-36.6	0	0	0	110.7	D232 A277 W278 C279	D232-P275 WeakPolarHBondContact OD1-CG 3.47Å; P275-A277 PolarHBondContact O-N 3.06Å; P275-W278 HydrophobicContact CB-CE3 3.97Å; P275-W278 PolarHBondContact O-N 3.4Å; P275-C279 PolarHBondContact O-N 3.46Å; P275-C279 PolarHBondContact O-SG 2.93Å; P275-C279 VanDerWaalsContact O-SG 3.41Å
276	I	93.3	Very high	75.5	Confident	39 Å²	39	64 Å²	64	20%	0.2	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-48.2	-39.4	-167.3	-59.9	-63.8	0	0	0	114	L274 W278 C279 I284 G318 I321	L274-I276 HydrophobicContact CB-CD1 3.72Å; L274-I276 HydrophobicContact CB-CG1 4.4Å; L274-I276 HydrophobicContact CD1-CD1 4.34Å; L274-I276 PolarHBondContact O-N 3.03Å; I276-W278 PolarHBondContact O-N 3.25Å; I276-W278 VanDerWaalsContact O-N 3.13Å; I276-C279 PolarHBondContact O-N 3.39Å; I276-C279 VanDerWaalsContact O-N 3.15Å; I276-I284 HydrophobicContact CD1-CB 4.5Å; I276-I284 HydrophobicContact CD1-CG1 3.95Å; I276-I284 HydrophobicContact CD1-CG2 3.94Å; I276-I284 HydrophobicContact CG2-CD1 3.86Å; I276-I284 HydrophobicContact CG2-CG1 4.4Å; I276-G318 WeakPolarHBondContact CG2-O 3.49Å; I276-I321 HydrophobicContact CG2-CB 4.14Å; I276-I321 HydrophobicContact CG2-CD1 4.45Å; I276-I321 HydrophobicContact CG2-CG2 4.11Å
277	A	96.6	Very high	78.3	Confident	9 Å²	9	61.6 Å²	61.6	7%	0.074	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.8	-18	-178.6	0	0	0	0	0	114.6	P275 P312 I321	P275-A277 PolarHBondContact O-N 3.06Å; A277-P312 HydrophobicContact CB-CB 4.39Å; A277-P312 HydrophobicContact CB-CG 4.04Å; A277-I321 HydrophobicContact CB-CD1 4.03Å
278	W	97.7	Very high	80.8	Confident	23 Å²	23	61.9 Å²	61.9	9%	0.087	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-107.7	-11.3	177.2	-65.3	-98.8	0	0	0	113.1	A234 R236 P275 I276 S297 V300 E304 P312	A234-W278 HydrophobicContact CB-CD2 4.31Å; A234-W278 HydrophobicContact CB-CG 4.15Å; R236-W278 VanDerWaalsContact NH1-CH2 3.25Å; P275-W278 HydrophobicContact CB-CE3 3.97Å; P275-W278 PolarHBondContact O-N 3.4Å; I276-W278 PolarHBondContact O-N 3.25Å; I276-W278 VanDerWaalsContact O-N 3.13Å; W278-S297 WeakPolarHBondContact O-CA 3.41Å; W278-S297 WeakPolarHBondContact O-CB 3.44Å; W278-S297 PolarHBondContact O-OG 3.43Å; W278-V300 VanDerWaalsContact CD1-CG1 3.42Å; W278-V300 HydrophobicContact CG-CB 4.48Å; W278-V300 HydrophobicContact CG-CG1 3.99Å; W278-E304 WeakPolarHBondContact CZ2-OE1 3.44Å; W278-E304 VanDerWaalsContact NE1-CD 3.26Å; W278-E304 PolarHBondContact NE1-OE2 3.42Å; W278-P312 HydrophobicContact CD2-CG 4.32Å; W278-P312 HydrophobicContact CH2-CG 4.07Å; W278-P312 HydrophobicContact CZ2-CG 3.57Å
279	C	95.5	Very high	83.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.014	28%	0.28	C	S	.	.	S	Bend	trans	-80	141.8	-175.3	-70	0	0	0	0	111.7	P275 I276 C283 I284 W296	P275-C279 PolarHBondContact O-N 3.46Å; P275-C279 PolarHBondContact O-SG 2.93Å; P275-C279 VanDerWaalsContact O-SG 3.41Å; I276-C279 PolarHBondContact O-N 3.39Å; I276-C279 VanDerWaalsContact O-N 3.15Å; C279-C283 HydrophobicContact CB-CB 4.08Å; C279-I284 HydrophobicContact CB-CD1 4.02Å; C279-I284 HydrophobicContact CB-CG1 3.61Å; C279-W296 PolarHBondContact O-NE1 2.83Å; C279-W296 VanDerWaalsContact O-NE1 3.11Å
280	A	96.7	Very high	85.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.275	C	S	.	.			trans	-67.9	154.8	167.7	0	0	0	0	0	111	E282 C283 I284 W296	A280-E282 VanDerWaalsContact CB-CD 3.42Å; A280-E282 VanDerWaalsContact CB-OE1 3.26Å; A280-E282 WeakPolarHBondContact CB-OE1 3.37Å; A280-E282 VanDerWaalsContact CB-OE2 3.26Å; A280-E282 WeakPolarHBondContact CB-OE2 3.49Å; A280-E282 PolarHBondContact O-N 2.98Å; A280-C283 WeakPolarHBondContact O-CB 3.42Å; A280-C283 PolarHBondContact O-N 3.3Å; A280-I284 PolarHBondContact O-N 3.06Å; A280-W296 HydrophobicContact CB-CB 3.74Å; A280-W296 HydrophobicContact CB-CD2 3.92Å; A280-W296 HydrophobicContact CB-CE3 4.25Å; A280-W296 HydrophobicContact CB-CG 3.68Å
281	P	95.8	Very high	88	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-53	-41.1	179.9	-24.3	31.9	0	0	0	112.8	C283 I284 V285 W296 I325	P281-C283 VanDerWaalsContact C-N 3.31Å; P281-C283 PolarHBondContact O-N 2.88Å; P281-I284 PolarHBondContact O-N 2.72Å; P281-V285 VanDerWaalsContact O-CG2 3.3Å; P281-V285 WeakPolarHBondContact O-CG2 3.26Å; P281-V285 PolarHBondContact O-N 3.13Å; P281-W296 HydrophobicContact CG-CH2 3.83Å; P281-W296 HydrophobicContact CG-CZ2 4.37Å; P281-W296 HydrophobicContact CG-CZ3 3.98Å; P281-I325 HydrophobicContact CG-CD1 4.03Å; P281-I325 HydrophobicContact CG-CG1 4.09Å
282	E	94.5	Very high	90.3	Very high	18 Å²	18	45.6 Å²	45.6	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-69.1	-25.7	179.8	71.9	-79.7	-172.6	0	0	114	A280 Y286 L287 R288 P355 R358	A280-E282 VanDerWaalsContact CB-CD 3.42Å; A280-E282 VanDerWaalsContact CB-OE1 3.26Å; A280-E282 WeakPolarHBondContact CB-OE1 3.37Å; A280-E282 VanDerWaalsContact CB-OE2 3.26Å; A280-E282 WeakPolarHBondContact CB-OE2 3.49Å; A280-E282 PolarHBondContact O-N 2.98Å; E282-Y286 HydrophobicContact CB-CD2 4.28Å; E282-Y286 WeakPolarHBondContact O-CB 3.31Å; E282-Y286 PolarHBondContact O-N 2.78Å; E282-Y286 VanDerWaalsContact O-N 3.09Å; E282-L287 PolarHBondContact O-N 2.9Å; E282-R288 HydrophobicContact CG-CB 4.44Å; E282-R288 PolarHBondContact O-N 2.79Å; E282-P355 HydrophobicContact CG-CG 4.16Å; E282-R358 IonicContact OE1-CZ 2.72Å; E282-R358 IonicContact OE1-NH1 2.87Å; E282-R358 PolarHBondContact OE1-NH1 3.47Å; E282-R358 IonicContact OE1-NH2 2.68Å; E282-R358 PolarHBondContact OE1-NH2 2.65Å; E282-R358 IonicContact OE2-CZ 2.88Å; E282-R358 IonicContact OE2-NH1 2.79Å; E282-R358 IonicContact OE2-NH2 2.77Å; E282-R358 PolarHBondContact OE2-NH2 3.41Å
283	C	92.9	Very high	92.1	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-38.5	172.2	-62.8	0	0	0	0	111.1	C279 A280 P281 L287 R288 F289 S293	C279-C283 HydrophobicContact CB-CB 4.08Å; A280-C283 WeakPolarHBondContact O-CB 3.42Å; A280-C283 PolarHBondContact O-N 3.3Å; P281-C283 VanDerWaalsContact C-N 3.31Å; P281-C283 PolarHBondContact O-N 2.88Å; C283-L287 WeakPolarHBondContact O-CA 3.48Å; C283-L287 PolarHBondContact O-N 3.39Å; C283-L287 VanDerWaalsContact O-N 3.13Å; C283-R288 PolarHBondContact SG-O 2.91Å; C283-F289 HydrophobicContact CB-CD1 4.23Å; C283-F289 HydrophobicContact CB-CE1 3.85Å; C283-F289 HydrophobicContact CB-CZ 4.23Å; C283-S293 WeakPolarHBondContact SG-CB 3.34Å
284	I	91.6	Very high	93.4	Very high	30 Å²	30	36.4 Å²	36.4	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-75.3	-46.2	-177.5	-57.5	162.5	0	0	0	110.2	I276 C279 A280 P281 L322 I325	I276-I284 HydrophobicContact CD1-CB 4.5Å; I276-I284 HydrophobicContact CD1-CG1 3.95Å; I276-I284 HydrophobicContact CD1-CG2 3.94Å; I276-I284 HydrophobicContact CG2-CD1 3.86Å; I276-I284 HydrophobicContact CG2-CG1 4.4Å; C279-I284 HydrophobicContact CB-CD1 4.02Å; C279-I284 HydrophobicContact CB-CG1 3.61Å; A280-I284 PolarHBondContact O-N 3.06Å; P281-I284 PolarHBondContact O-N 2.72Å; I284-L322 HydrophobicContact CB-CD1 4.17Å; I284-L322 HydrophobicContact CD1-CD1 4.2Å; I284-L322 HydrophobicContact CG2-CB 4.41Å; I284-L322 HydrophobicContact CG2-CD1 4.05Å; I284-L322 HydrophobicContact CG2-CD2 3.9Å; I284-L322 HydrophobicContact CG2-CG 4.34Å; I284-I325 HydrophobicContact CD1-CD1 3.89Å
285	V	91.3	Very high	94.1	Very high	58 Å²	58	34.2 Å²	34.2	35%	0.352	17%	0.167	S	C	.	.	H	α-helix	trans	-79.5	-38.7	-172.7	-177.9	0	0	0	0	112	P281 L322	P281-V285 VanDerWaalsContact O-CG2 3.3Å; P281-V285 WeakPolarHBondContact O-CG2 3.26Å; P281-V285 PolarHBondContact O-N 3.13Å; V285-L322 HydrophobicContact CG2-CD1 3.73Å; V285-L322 HydrophobicContact CG2-CD2 4.13Å
286	Y	89.8	Confident	94.4	Very high	172 Å²	172	32.8 Å²	32.8	68%	0.675	16%	0.158	S	C	*	.	H	α-helix	trans	-122.7	4.3	-170	-51.4	-64.6	0	0	0	114.1	E282 R288	E282-Y286 HydrophobicContact CB-CD2 4.28Å; E282-Y286 WeakPolarHBondContact O-CB 3.31Å; E282-Y286 PolarHBondContact O-N 2.78Å; E282-Y286 VanDerWaalsContact O-N 3.09Å; Y286-R288 PolarHBondContact O-N 3.01Å; Y286-R288 VanDerWaalsContact O-N 3.1Å
287	L	88.2	Confident	94.7	Very high	49 Å²	49	31.2 Å²	31.2	26%	0.257	15%	0.15	S	C	.	.			trans	52.6	29.2	-172.3	-60.3	178.3	0	0	0	112.9	L272 L274 E282 C283 F289	L272-L287 HydrophobicContact CD1-CD1 4.47Å; L274-L287 HydrophobicContact CD1-CD2 3.69Å; E282-L287 PolarHBondContact O-N 2.9Å; C283-L287 WeakPolarHBondContact O-CA 3.48Å; C283-L287 PolarHBondContact O-N 3.39Å; C283-L287 VanDerWaalsContact O-N 3.13Å; L287-F289 HydrophobicContact CB-CE2 4.46Å; L287-F289 VanDerWaalsContact O-CD2 3.24Å; L287-F289 WeakPolarHBondContact O-CD2 3.37Å; L287-F289 WeakPolarHBondContact O-CE2 3.28Å; L287-F289 PolarHBondContact O-N 3.3Å
288	R	89.7	Confident	94.8	Very high	161 Å²	161	30.8 Å²	30.8	61%	0.608	15%	0.146	S	C	*	.			trans	-91	104.6	-177	-177.6	175.8	172.1	147.4	-3.6	110.6	E282 C283 Y286 T290	E282-R288 HydrophobicContact CG-CB 4.44Å; E282-R288 PolarHBondContact O-N 2.79Å; C283-R288 PolarHBondContact SG-O 2.91Å; Y286-R288 PolarHBondContact O-N 3.01Å; Y286-R288 VanDerWaalsContact O-N 3.1Å; R288-T290 HydrophobicContact CG-CG2 4.19Å
289	F	90	Very high	94.8	Very high	28 Å²	28	29.7 Å²	29.7	12%	0.123	14%	0.142	C	C	.	.			trans	-99.9	133.5	175.6	-60.1	-86.4	0	0	0	111.4	I229 R231 L274 C283 L287	I229-F289 WeakPolarHBondContact CD1-O 3.31Å; I229-F289 HydrophobicContact CG2-CB 4.21Å; R231-F289 HydrophobicContact CB-CD1 3.97Å; R231-F289 HydrophobicContact CB-CE1 4.31Å; R231-F289 HydrophobicContact CG-CB 4.06Å; R231-F289 HydrophobicContact CG-CD1 3.87Å; R231-F289 HydrophobicContact CG-CG 4.02Å; L274-F289 HydrophobicContact CD2-CZ 3.8Å; C283-F289 HydrophobicContact CB-CD1 4.23Å; C283-F289 HydrophobicContact CB-CE1 3.85Å; C283-F289 HydrophobicContact CB-CZ 4.23Å; L287-F289 HydrophobicContact CB-CE2 4.46Å; L287-F289 VanDerWaalsContact O-CD2 3.24Å; L287-F289 WeakPolarHBondContact O-CD2 3.37Å; L287-F289 WeakPolarHBondContact O-CE2 3.28Å; L287-F289 PolarHBondContact O-N 3.3Å
290	T	94.1	Very high	95	Very high	34 Å²	34	29.6 Å²	29.6	21%	0.209	14%	0.142	C	C	.	.			trans	-148.9	171.9	-178.9	65.1	0	0	0	0	110.9	R288 A292 S293 D294	R288-T290 HydrophobicContact CG-CG2 4.19Å; T290-A292 PolarHBondContact O-N 3.17Å; T290-A292 PolarHBondContact OG1-N 2.76Å; T290-S293 PolarHBondContact N-OG 3.38Å; T290-S293 PolarHBondContact O-N 3.16Å; T290-S293 VanDerWaalsContact O-N 3.1Å; T290-S293 PolarHBondContact O-OG 3.21Å; T290-S293 PolarHBondContact OG1-N 3.27Å; T290-D294 PolarHBondContact O-N 2.99Å; T290-D294 VanDerWaalsContact O-N 3.16Å
291	S	95.7	Very high	95.1	Very high	29 Å²	29	29.6 Å²	29.6	20%	0.203	14%	0.142	C	C	.	.	H	α-helix	trans	-56.4	-38	169.3	-169.7	0	0	0	0	111.6	E224 S293 D294 I295	E224-S291 WeakPolarHBondContact CG-OG 3.35Å; E224-S291 PolarHBondContact OE1-OG 3.27Å; S291-S293 VanDerWaalsContact C-N 3.3Å; S291-S293 PolarHBondContact O-N 2.88Å; S291-D294 WeakPolarHBondContact O-CB 3.4Å; S291-D294 PolarHBondContact O-N 3.13Å; S291-D294 VanDerWaalsContact O-N 3.09Å; S291-I295 WeakPolarHBondContact O-CG1 3.32Å; S291-I295 PolarHBondContact O-N 3.08Å
292	A	97.9	Very high	95.3	Very high	24 Å²	24	29.5 Å²	29.5	20%	0.198	14%	0.141	C	C	.	.	H	α-helix	trans	-66.9	-27.1	177.7	0	0	0	0	0	113.5	T290 W296 P355 R358	T290-A292 PolarHBondContact O-N 3.17Å; T290-A292 PolarHBondContact OG1-N 2.76Å; A292-W296 PolarHBondContact O-N 3.14Å; A292-P355 HydrophobicContact CB-CB 3.88Å; A292-R358 VanDerWaalsContact O-CD 3.27Å; A292-R358 WeakPolarHBondContact O-CD 3.47Å; A292-R358 PolarHBondContact O-NH1 2.92Å
293	S	96.7	Very high	95.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-76.2	-32.7	171	64.1	0	0	0	0	112.1	C283 T290 S291 I295 W296 S297	C283-S293 WeakPolarHBondContact SG-CB 3.34Å; T290-S293 PolarHBondContact N-OG 3.38Å; T290-S293 PolarHBondContact O-N 3.16Å; T290-S293 VanDerWaalsContact O-N 3.1Å; T290-S293 PolarHBondContact O-OG 3.21Å; T290-S293 PolarHBondContact OG1-N 3.27Å; S291-S293 VanDerWaalsContact C-N 3.3Å; S291-S293 PolarHBondContact O-N 2.88Å; S293-I295 VanDerWaalsContact C-N 3.27Å; S293-I295 PolarHBondContact O-N 2.85Å; S293-W296 WeakPolarHBondContact O-CB 3.32Å; S293-W296 PolarHBondContact O-N 3.21Å; S293-S297 PolarHBondContact O-N 3.12Å; S293-S297 VanDerWaalsContact O-N 3.16Å; S293-S297 PolarHBondContact O-OG 3.03Å
294	D	97.6	Very high	95.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-66.1	-31.3	171.3	-73.5	-19.1	0	0	0	111.4	M220 I229 H230 R231 T290 S291 W296 S297 F298 F361	M220-D294 HydrophobicContact CE-CB 3.72Å; I229-D294 WeakPolarHBondContact CA-OD2 3.41Å; I229-D294 VanDerWaalsContact CG2-OD2 3.32Å; I229-D294 WeakPolarHBondContact CG2-OD2 3.21Å; H230-D294 PolarHBondContact N-OD2 2.83Å; R231-D294 PolarHBondContact N-OD1 2.91Å; T290-D294 PolarHBondContact O-N 2.99Å; T290-D294 VanDerWaalsContact O-N 3.16Å; S291-D294 WeakPolarHBondContact O-CB 3.4Å; S291-D294 PolarHBondContact O-N 3.13Å; S291-D294 VanDerWaalsContact O-N 3.09Å; D294-W296 VanDerWaalsContact C-N 3.35Å; D294-S297 CarbonylContact O-C 3.49Å; D294-S297 PolarHBondContact O-N 2.57Å; D294-F298 WeakPolarHBondContact O-CB 3.42Å; D294-F298 PolarHBondContact O-N 3.3Å; D294-F361 HydrophobicContact CB-CE2 3.9Å; D294-F361 HydrophobicContact CB-CZ 4.22Å
295	I	98.7	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-40.7	171.8	-69.2	-77.9	0	0	0	111.5	S291 S293 F298 G299 C350 R358 P359 F361 L364	S291-I295 WeakPolarHBondContact O-CG1 3.32Å; S291-I295 PolarHBondContact O-N 3.08Å; S293-I295 VanDerWaalsContact C-N 3.27Å; S293-I295 PolarHBondContact O-N 2.85Å; I295-F298 WeakPolarHBondContact O-CB 3.42Å; I295-F298 PolarHBondContact O-N 2.9Å; I295-G299 PolarHBondContact O-N 3.01Å; I295-C350 HydrophobicContact CG2-CB 3.89Å; I295-C350 WeakPolarHBondContact O-CB 3.4Å; I295-R358 HydrophobicContact CG2-CB 3.96Å; I295-P359 WeakPolarHBondContact CD1-O 3.46Å; I295-P359 VanDerWaalsContact CG1-O 3.26Å; I295-P359 WeakPolarHBondContact CG1-O 3.49Å; I295-P359 HydrophobicContact CG2-CG 4.13Å; I295-F361 HydrophobicContact CD1-CB 4.41Å; I295-F361 HydrophobicContact CD1-CD1 3.66Å; I295-F361 HydrophobicContact CD1-CD2 3.56Å; I295-F361 HydrophobicContact CD1-CE1 3.67Å; I295-F361 HydrophobicContact CD1-CE2 3.57Å; I295-F361 HydrophobicContact CD1-CG 3.6Å; I295-F361 HydrophobicContact CD1-CZ 3.62Å; I295-F361 HydrophobicContact CG1-CD2 3.99Å; I295-F361 HydrophobicContact CG1-CE2 3.71Å; I295-F361 HydrophobicContact CG1-CZ 4.02Å; I295-L364 HydrophobicContact CD1-CD1 3.95Å
296	W	98.8	Very high	96.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-48.7	172.8	178.5	-71.8	0	0	0	111.1	C279 A280 P281 A292 S293 D294 F298 G299 V300 I325 C350 W351	C279-W296 PolarHBondContact O-NE1 2.83Å; C279-W296 VanDerWaalsContact O-NE1 3.11Å; A280-W296 HydrophobicContact CB-CB 3.74Å; A280-W296 HydrophobicContact CB-CD2 3.92Å; A280-W296 HydrophobicContact CB-CE3 4.25Å; A280-W296 HydrophobicContact CB-CG 3.68Å; P281-W296 HydrophobicContact CG-CH2 3.83Å; P281-W296 HydrophobicContact CG-CZ2 4.37Å; P281-W296 HydrophobicContact CG-CZ3 3.98Å; A292-W296 PolarHBondContact O-N 3.14Å; S293-W296 WeakPolarHBondContact O-CB 3.32Å; S293-W296 PolarHBondContact O-N 3.21Å; D294-W296 VanDerWaalsContact C-N 3.35Å; W296-F298 VanDerWaalsContact C-N 3.28Å; W296-F298 PolarHBondContact O-N 2.75Å; W296-G299 PolarHBondContact O-N 3.12Å; W296-G299 VanDerWaalsContact O-N 3.11Å; W296-V300 PolarHBondContact O-N 3.33Å; W296-V300 VanDerWaalsContact O-N 3.13Å; W296-I325 HydrophobicContact CH2-CB 4.02Å; W296-I325 HydrophobicContact CH2-CD1 4.39Å; W296-I325 HydrophobicContact CZ2-CB 3.93Å; W296-I325 HydrophobicContact CZ2-CD1 3.79Å; W296-I325 HydrophobicContact CZ2-CG1 4.35Å; W296-I325 HydrophobicContact CZ2-CG2 4.13Å; W296-C350 WeakPolarHBondContact CA-O 3.34Å; W296-W351 AromaticContact CD2-CD1 3.68Å; W296-W351 HydrophobicContact CD2-CG 4.44Å; W296-W351 AromaticContact CE2-CD1 3.84Å; W296-W351 HydrophobicContact CE3-CB 4.09Å; W296-W351 HydrophobicContact CE3-CG 4.5Å; W296-W351 AromaticContact CG-CD1 3.89Å; W296-W351 HydrophobicContact CH2-CB 4.19Å; W296-W351 HydrophobicContact CZ3-CB 3.93Å; W296-W351 WeakPolarHBondContact CZ3-O 3.45Å; W296-W351 PolarHBondContact O-NE1 3.16Å
297	S	98.6	Very high	96.8	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.035	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-33.5	177.6	-56	0	0	0	0	112.5	L233 W278 S293 D294 V300 T301	L233-S297 WeakPolarHBondContact O-CB 3.49Å; W278-S297 WeakPolarHBondContact O-CA 3.41Å; W278-S297 WeakPolarHBondContact O-CB 3.44Å; W278-S297 PolarHBondContact O-OG 3.43Å; S293-S297 PolarHBondContact O-N 3.12Å; S293-S297 VanDerWaalsContact O-N 3.16Å; S293-S297 PolarHBondContact O-OG 3.03Å; D294-S297 CarbonylContact O-C 3.49Å; D294-S297 PolarHBondContact O-N 2.57Å; S297-V300 PolarHBondContact O-N 2.77Å; S297-T301 WeakPolarHBondContact O-CB 3.4Å; S297-T301 PolarHBondContact O-N 2.75Å; S297-T301 PolarHBondContact O-OG1 3.34Å
298	F	98.9	Very high	97.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-44.8	171.4	176.4	-110.7	0	0	0	111	V216 C217 L233 D294 I295 W296 V300 T301 L302 F361 L364 L368	V216-F298 HydrophobicContact CB-CE2 4.32Å; V216-F298 HydrophobicContact CG1-CD2 3.96Å; V216-F298 HydrophobicContact CG1-CE2 3.93Å; C217-F298 HydrophobicContact CB-CE2 4.18Å; C217-F298 HydrophobicContact CB-CZ 3.93Å; L233-F298 HydrophobicContact CD2-CB 3.72Å; L233-F298 HydrophobicContact CD2-CD2 4.3Å; D294-F298 WeakPolarHBondContact O-CB 3.42Å; D294-F298 PolarHBondContact O-N 3.3Å; I295-F298 WeakPolarHBondContact O-CB 3.42Å; I295-F298 PolarHBondContact O-N 2.9Å; W296-F298 VanDerWaalsContact C-N 3.28Å; W296-F298 PolarHBondContact O-N 2.75Å; F298-V300 VanDerWaalsContact C-N 3.32Å; F298-V300 PolarHBondContact O-N 3.06Å; F298-T301 WeakPolarHBondContact O-CB 3.48Å; F298-T301 PolarHBondContact O-N 2.75Å; F298-T301 VanDerWaalsContact O-N 3.09Å; F298-L302 HydrophobicContact CD1-CD1 4.09Å; F298-L302 HydrophobicContact CD1-CG 4.37Å; F298-L302 HydrophobicContact CD2-CG 4.49Å; F298-L302 HydrophobicContact CE1-CD1 3.56Å; F298-L302 HydrophobicContact CE1-CD2 4.34Å; F298-L302 HydrophobicContact CE1-CG 4.02Å; F298-L302 HydrophobicContact CE2-CD2 3.91Å; F298-L302 HydrophobicContact CE2-CG 4.16Å; F298-L302 HydrophobicContact CZ-CD1 3.83Å; F298-L302 HydrophobicContact CZ-CD2 3.74Å; F298-L302 HydrophobicContact CZ-CG 3.91Å; F298-L302 WeakPolarHBondContact O-CG 3.47Å; F298-L302 PolarHBondContact O-N 3.04Å; F298-F361 HydrophobicContact CB-CE1 3.81Å; F298-F361 HydrophobicContact CB-CZ 3.91Å; F298-F361 HydrophobicContact CD1-CE1 4.15Å; F298-F361 HydrophobicContact CD2-CE1 4.08Å; F298-F361 AromaticContact CG-CE1 3.75Å; F298-F361 HydrophobicContact CG-CE1 3.75Å; F298-F361 HydrophobicContact CG-CZ 4.37Å; F298-L364 HydrophobicContact CD1-CD1 4.04Å; F298-L364 HydrophobicContact CE1-CD1 3.82Å; F298-L368 HydrophobicContact CZ-CD1 4.36Å
299	G	98.8	Very high	97.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.9	-44	173.1	0	0	0	0	0	112.8	I295 W296 L302 W303 W351	I295-G299 PolarHBondContact O-N 3.01Å; W296-G299 PolarHBondContact O-N 3.12Å; W296-G299 VanDerWaalsContact O-N 3.11Å; G299-L302 PolarHBondContact O-N 3.41Å; G299-W303 PolarHBondContact O-N 2.89Å; G299-W351 VanDerWaalsContact O-CZ2 3.28Å; G299-W351 WeakPolarHBondContact O-CZ2 3.28Å
300	V	98.9	Very high	97.8	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-65.9	-39	175.3	-175.7	0	0	0	0	111.4	W278 W296 S297 F298 W303 E304 P312 L333 W351	W278-V300 VanDerWaalsContact CD1-CG1 3.42Å; W278-V300 HydrophobicContact CG-CB 4.48Å; W278-V300 HydrophobicContact CG-CG1 3.99Å; W296-V300 PolarHBondContact O-N 3.33Å; W296-V300 VanDerWaalsContact O-N 3.13Å; S297-V300 PolarHBondContact O-N 2.77Å; F298-V300 VanDerWaalsContact C-N 3.32Å; F298-V300 PolarHBondContact O-N 3.06Å; V300-W303 WeakPolarHBondContact O-CB 3.36Å; V300-W303 PolarHBondContact O-N 2.73Å; V300-W303 VanDerWaalsContact O-N 3.14Å; V300-E304 PolarHBondContact O-N 3.31Å; V300-P312 HydrophobicContact CG1-CB 3.77Å; V300-P312 HydrophobicContact CG1-CG 3.85Å; V300-L333 HydrophobicContact CG1-CD1 4.29Å; V300-W351 HydrophobicContact CG2-CZ2 4.23Å
301	T	98.9	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-41.5	176.8	-57.4	0	0	0	0	111.8	L233 A234 I238 S297 F298 W303 E304 M305	L233-T301 PolarHBondContact O-OG1 2.93Å; A234-T301 VanDerWaalsContact CA-OG1 3.32Å; A234-T301 WeakPolarHBondContact CA-OG1 3.46Å; I238-T301 HydrophobicContact CG1-CG2 4.28Å; S297-T301 WeakPolarHBondContact O-CB 3.4Å; S297-T301 PolarHBondContact O-N 2.75Å; S297-T301 PolarHBondContact O-OG1 3.34Å; F298-T301 WeakPolarHBondContact O-CB 3.48Å; F298-T301 PolarHBondContact O-N 2.75Å; F298-T301 VanDerWaalsContact O-N 3.09Å; T301-W303 VanDerWaalsContact C-N 3.31Å; T301-W303 PolarHBondContact O-N 2.82Å; T301-E304 WeakPolarHBondContact O-CB 3.48Å; T301-E304 PolarHBondContact O-N 3.48Å; T301-M305 HydrophobicContact CG2-CE 4.03Å; T301-M305 WeakPolarHBondContact O-CG 3.46Å; T301-M305 PolarHBondContact O-N 3.45Å
302	L	98.9	Very high	98	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-41.4	172.5	-64.6	-179.1	0	0	0	110.8	A213 F298 G299 E304 M305 F306 L346 M347	A213-L302 HydrophobicContact CB-CD2 3.39Å; F298-L302 HydrophobicContact CD1-CD1 4.09Å; F298-L302 HydrophobicContact CD1-CG 4.37Å; F298-L302 HydrophobicContact CD2-CG 4.49Å; F298-L302 HydrophobicContact CE1-CD1 3.56Å; F298-L302 HydrophobicContact CE1-CD2 4.34Å; F298-L302 HydrophobicContact CE1-CG 4.02Å; F298-L302 HydrophobicContact CE2-CD2 3.91Å; F298-L302 HydrophobicContact CE2-CG 4.16Å; F298-L302 HydrophobicContact CZ-CD1 3.83Å; F298-L302 HydrophobicContact CZ-CD2 3.74Å; F298-L302 HydrophobicContact CZ-CG 3.91Å; F298-L302 WeakPolarHBondContact O-CG 3.47Å; F298-L302 PolarHBondContact O-N 3.04Å; G299-L302 PolarHBondContact O-N 3.41Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.35Å; L302-M305 HydrophobicContact CD2-SD 3.99Å; L302-M305 WeakPolarHBondContact O-CB 3.38Å; L302-M305 PolarHBondContact O-N 3.43Å; L302-M305 VanDerWaalsContact O-N 3.15Å; L302-F306 WeakPolarHBondContact O-CD2 3.48Å; L302-F306 PolarHBondContact O-N 3.09Å; L302-L346 HydrophobicContact CD1-CD2 4.26Å; L302-M347 HydrophobicContact CB-CE 3.62Å; L302-M347 HydrophobicContact CB-CG 4.11Å; L302-M347 HydrophobicContact CB-SD 4.48Å; L302-M347 HydrophobicContact CD1-CG 4.28Å
303	W	98.8	Very high	98	Very high	19 Å²	19	15.8 Å²	15.8	7%	0.072	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-41.8	176.1	-174	96	0	0	0	111.9	G299 V300 T301 M305 F306 T307 F310 P312 L333 D334 P336 M347 W351	G299-W303 PolarHBondContact O-N 2.89Å; V300-W303 WeakPolarHBondContact O-CB 3.36Å; V300-W303 PolarHBondContact O-N 2.73Å; V300-W303 VanDerWaalsContact O-N 3.14Å; T301-W303 VanDerWaalsContact C-N 3.31Å; T301-W303 PolarHBondContact O-N 2.82Å; W303-M305 VanDerWaalsContact C-N 3.3Å; W303-M305 PolarHBondContact O-N 2.85Å; W303-F306 PolarHBondContact O-N 3.37Å; W303-T307 HydrophobicContact CD2-CG2 3.7Å; W303-T307 VanDerWaalsContact CE2-CG2 3.49Å; W303-T307 HydrophobicContact CE3-CG2 3.9Å; W303-T307 HydrophobicContact CG-CG2 4.42Å; W303-T307 HydrophobicContact CH2-CG2 3.86Å; W303-T307 HydrophobicContact CZ2-CG2 3.61Å; W303-T307 HydrophobicContact CZ3-CG2 3.96Å; W303-T307 WeakPolarHBondContact O-CB 3.41Å; W303-T307 WeakPolarHBondContact O-CG2 3.31Å; W303-T307 PolarHBondContact O-N 2.82Å; W303-T307 PolarHBondContact O-OG1 3.44Å; W303-F310 HydrophobicContact CH2-CB 4.2Å; W303-F310 AromaticContact CH2-CD1 3.66Å; W303-F310 HydrophobicContact CH2-CD1 3.66Å; W303-F310 HydrophobicContact CH2-CG 4.38Å; W303-F310 HydrophobicContact CZ2-CD1 4.43Å; W303-F310 HydrophobicContact CZ3-CB 4.22Å; W303-F310 HydrophobicContact CZ3-CD1 4.44Å; W303-F310 WeakPolarHBondContact CZ3-O 3.26Å; W303-P312 HydrophobicContact CE3-CB 4.24Å; W303-P312 HydrophobicContact CZ3-CB 4.04Å; W303-L333 HydrophobicContact CB-CD1 4.23Å; W303-L333 HydrophobicContact CD2-CB 4.33Å; W303-L333 HydrophobicContact CD2-CD1 3.8Å; W303-L333 HydrophobicContact CD2-CG 4.49Å; W303-L333 HydrophobicContact CE3-CD1 4.16Å; W303-L333 HydrophobicContact CG-CB 4.17Å; W303-L333 HydrophobicContact CG-CD1 3.83Å; W303-L333 HydrophobicContact CH2-CD2 4.45Å; W303-L333 HydrophobicContact CZ2-CB 4.5Å; W303-L333 HydrophobicContact CZ2-CD2 4.15Å; W303-D334 PolarHBondContact NE1-O 3.42Å; W303-P336 HydrophobicContact CG-CG 4.25Å; W303-M347 HydrophobicContact CB-SD 4.16Å; W303-W351 HydrophobicContact CB-CH2 4.1Å; W303-W351 HydrophobicContact CB-CZ2 4.18Å; W303-W351 HydrophobicContact CG-CH2 4.35Å
304	E	98.7	Very high	97.9	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-58.8	-41.1	172.6	-70.2	-179.1	102.1	0	0	111.7	A235 W278 V300 T301 L302 T307 Y308 G309	A235-E304 HydrophobicContact CB-CB 3.92Å; A235-E304 HydrophobicContact CB-CG 4.45Å; A235-E304 PolarHBondContact N-OE2 2.85Å; W278-E304 WeakPolarHBondContact CZ2-OE1 3.44Å; W278-E304 VanDerWaalsContact NE1-CD 3.26Å; W278-E304 PolarHBondContact NE1-OE2 3.42Å; V300-E304 PolarHBondContact O-N 3.31Å; T301-E304 WeakPolarHBondContact O-CB 3.48Å; T301-E304 PolarHBondContact O-N 3.48Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.35Å; E304-T307 WeakPolarHBondContact CA-OG1 3.26Å; E304-T307 PolarHBondContact O-OG1 3.47Å; E304-Y308 PolarHBondContact O-N 2.86Å; E304-G309 PolarHBondContact O-N 3.31Å
305	M	98.7	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-54.1	176.6	-67.9	171.3	179.1	0	0	111.3	L191 L209 V216 T301 L302 W303 T307 Y308	L191-M305 HydrophobicContact CD2-CE 3.62Å; L191-M305 HydrophobicContact CD2-CG 4.02Å; L209-M305 VanDerWaalsContact CD1-O 3.29Å; L209-M305 WeakPolarHBondContact CD1-O 3.45Å; L209-M305 HydrophobicContact CD2-CB 4.3Å; V216-M305 HydrophobicContact CG2-CE 4.02Å; T301-M305 HydrophobicContact CG2-CE 4.03Å; T301-M305 WeakPolarHBondContact O-CG 3.46Å; T301-M305 PolarHBondContact O-N 3.45Å; L302-M305 HydrophobicContact CD2-SD 3.99Å; L302-M305 WeakPolarHBondContact O-CB 3.38Å; L302-M305 PolarHBondContact O-N 3.43Å; L302-M305 VanDerWaalsContact O-N 3.15Å; W303-M305 VanDerWaalsContact C-N 3.3Å; W303-M305 PolarHBondContact O-N 2.85Å; M305-T307 VanDerWaalsContact C-N 3.33Å; M305-T307 PolarHBondContact O-N 3.09Å; M305-Y308 PolarHBondContact O-N 3.29Å
306	F	98.2	Very high	97.6	Very high	2 Å²	2	25 Å²	25	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-79	-12.6	-173.9	-66.1	-71	0	0	0	114.6	V206 L209 L302 W303 P336 C339 P340 Y343 M347	V206-F306 HydrophobicContact CG1-CE1 4.1Å; L209-F306 HydrophobicContact CB-CD1 4.44Å; L209-F306 HydrophobicContact CB-CE1 3.94Å; L209-F306 HydrophobicContact CB-CZ 4.34Å; L209-F306 HydrophobicContact CD1-CD1 4.05Å; L209-F306 HydrophobicContact CD1-CE1 4.35Å; L302-F306 WeakPolarHBondContact O-CD2 3.48Å; L302-F306 PolarHBondContact O-N 3.09Å; W303-F306 PolarHBondContact O-N 3.37Å; F306-P336 HydrophobicContact CB-CB 4.01Å; F306-P336 HydrophobicContact CB-CG 4.05Å; F306-C339 HydrophobicContact CB-CB 3.77Å; F306-C339 HydrophobicContact CD1-CB 4.44Å; F306-C339 HydrophobicContact CD2-CB 4.47Å; F306-C339 HydrophobicContact CG-CB 3.99Å; F306-P340 HydrophobicContact CE1-CG 4.45Å; F306-Y343 AromaticContact CE2-CD1 3.57Å; F306-Y343 HydrophobicContact CE2-CD1 3.57Å; F306-Y343 HydrophobicContact CE2-CE1 4.3Å; F306-Y343 HydrophobicContact CE2-CG 4.03Å; F306-Y343 AromaticContact CZ-CD1 3.69Å; F306-Y343 HydrophobicContact CZ-CD1 3.69Å; F306-Y343 HydrophobicContact CZ-CE1 4.12Å; F306-Y343 AromaticContact CZ-CG 3.97Å; F306-Y343 HydrophobicContact CZ-CG 3.97Å; F306-M347 HydrophobicContact CD2-CE 3.5Å; F306-M347 VanDerWaalsContact CD2-CE 3.5Å; F306-M347 HydrophobicContact CE2-CE 4.03Å
307	T	97.6	Very high	97.3	Very high	35 Å²	35	28.5 Å²	28.5	22%	0.215	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.2	165.9	56.3	0	0	0	0	113.4	W303 E304 M305 G309 F310 P336	W303-T307 HydrophobicContact CD2-CG2 3.7Å; W303-T307 VanDerWaalsContact CE2-CG2 3.49Å; W303-T307 HydrophobicContact CE3-CG2 3.9Å; W303-T307 HydrophobicContact CG-CG2 4.42Å; W303-T307 HydrophobicContact CH2-CG2 3.86Å; W303-T307 HydrophobicContact CZ2-CG2 3.61Å; W303-T307 HydrophobicContact CZ3-CG2 3.96Å; W303-T307 WeakPolarHBondContact O-CB 3.41Å; W303-T307 WeakPolarHBondContact O-CG2 3.31Å; W303-T307 PolarHBondContact O-N 2.82Å; W303-T307 PolarHBondContact O-OG1 3.44Å; E304-T307 WeakPolarHBondContact CA-OG1 3.26Å; E304-T307 PolarHBondContact O-OG1 3.47Å; M305-T307 VanDerWaalsContact C-N 3.33Å; M305-T307 PolarHBondContact O-N 3.09Å; T307-G309 VanDerWaalsContact C-N 3.34Å; T307-G309 PolarHBondContact O-N 2.65Å; T307-F310 HydrophobicContact CG2-CB 4.35Å; T307-F310 PolarHBondContact OG1-N 3.12Å; T307-P336 HydrophobicContact CG2-CB 3.71Å; T307-P336 HydrophobicContact CG2-CG 3.6Å
308	Y	96.8	Very high	96.9	Very high	28 Å²	28	29.9 Å²	29.9	11%	0.11	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	45.5	-176.5	-66.2	-101.4	0	0	0	112.7	L195 R201 L204 L209 E304 M305 L338	L195-Y308 HydrophobicContact CD2-CD1 4.36Å; R201-Y308 VanDerWaalsContact CZ-CZ 3.41Å; R201-Y308 PolarHBondContact NH1-OH 3.32Å; L204-Y308 HydrophobicContact CB-CE1 4.41Å; L204-Y308 VanDerWaalsContact O-CE1 3.32Å; L204-Y308 WeakPolarHBondContact O-CE1 3.37Å; L204-Y308 PolarHBondContact O-OH 3.1Å; L209-Y308 HydrophobicContact CD1-CE1 4.25Å; L209-Y308 HydrophobicContact CD1-CE2 4.15Å; E304-Y308 PolarHBondContact O-N 2.86Å; M305-Y308 PolarHBondContact O-N 3.29Å; Y308-L338 HydrophobicContact CD2-CD1 4.21Å; Y308-L338 HydrophobicContact CE2-CB 4.2Å; Y308-L338 HydrophobicContact CE2-CD1 3.5Å; Y308-L338 VanDerWaalsContact CE2-CD1 3.5Å; Y308-L338 HydrophobicContact CE2-CG 4.42Å
309	G	96.5	Very high	96.6	Very high	4 Å²	4	35.3 Å²	35.3	4%	0.041	21%	0.212	C	C	.	.	S	Bend	trans	85.2	21.6	170.9	0	0	0	0	0	114.4	R196 E304 T307	R196-G309 PolarHBondContact NE-O 3.12Å; R196-G309 PolarHBondContact NH2-O 3.49Å; E304-G309 PolarHBondContact O-N 3.31Å; T307-G309 VanDerWaalsContact C-N 3.34Å; T307-G309 PolarHBondContact O-N 2.65Å
310	F	96.9	Very high	96.4	Very high	126 Å²	126	39.4 Å²	39.4	55%	0.553	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-64.6	150.1	172.4	-160.9	-131.3	0	0	0	110.5	W303 T307 P312 A314	W303-F310 HydrophobicContact CH2-CB 4.2Å; W303-F310 AromaticContact CH2-CD1 3.66Å; W303-F310 HydrophobicContact CH2-CD1 3.66Å; W303-F310 HydrophobicContact CH2-CG 4.38Å; W303-F310 HydrophobicContact CZ2-CD1 4.43Å; W303-F310 HydrophobicContact CZ3-CB 4.22Å; W303-F310 HydrophobicContact CZ3-CD1 4.44Å; W303-F310 WeakPolarHBondContact CZ3-O 3.26Å; T307-F310 HydrophobicContact CG2-CB 4.35Å; T307-F310 PolarHBondContact OG1-N 3.12Å; F310-P312 WeakPolarHBondContact O-CD 3.39Å; F310-A314 HydrophobicContact CE1-CB 4.35Å; F310-A314 HydrophobicContact CZ-CB 4.19Å
311	Q	96.4	Very high	96.2	Very high	83 Å²	83	39.8 Å²	39.8	39%	0.388	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-76.1	120.1	-178.1	175.8	59.6	50	0	0	109.3	W313 A314	Q311-W313 PolarHBondContact O-N 3.04Å; Q311-A314 HydrophobicContact CB-CB 4.22Å; Q311-A314 HydrophobicContact CG-CB 4.38Å; Q311-A314 PolarHBondContact O-N 3.11Å
312	P	97.9	Very high	96	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	136.1	174.2	23.9	-33.3	0	0	0	110	A277 W278 V300 W303 F310 A314 L333	A277-P312 HydrophobicContact CB-CB 4.39Å; A277-P312 HydrophobicContact CB-CG 4.04Å; W278-P312 HydrophobicContact CD2-CG 4.32Å; W278-P312 HydrophobicContact CH2-CG 4.07Å; W278-P312 HydrophobicContact CZ2-CG 3.57Å; V300-P312 HydrophobicContact CG1-CB 3.77Å; V300-P312 HydrophobicContact CG1-CG 3.85Å; W303-P312 HydrophobicContact CE3-CB 4.24Å; W303-P312 HydrophobicContact CZ3-CB 4.04Å; F310-P312 WeakPolarHBondContact O-CD 3.39Å; P312-A314 PolarHBondContact O-N 3.35Å; P312-L333 HydrophobicContact CB-CD1 3.98Å; P312-L333 HydrophobicContact CB-CD2 4.38Å
313	W	97	Very high	95.9	Very high	18 Å²	18	43.8 Å²	43.8	7%	0.068	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	35.5	-178.1	-51.1	102.6	0	0	0	114.4	Q311 G315 L316 I321 C324 I325 R331 L333	Q311-W313 PolarHBondContact O-N 3.04Å; W313-G315 PolarHBondContact O-N 3.28Å; W313-L316 HydrophobicContact CB-CB 4.49Å; W313-L316 HydrophobicContact CB-CD1 4.38Å; W313-L316 HydrophobicContact CE3-CD1 4Å; W313-L316 WeakPolarHBondContact O-CB 3.3Å; W313-L316 PolarHBondContact O-N 3.01Å; W313-L316 VanDerWaalsContact O-N 3.1Å; W313-I321 HydrophobicContact CB-CD1 3.67Å; W313-I321 HydrophobicContact CB-CG1 3.63Å; W313-I321 HydrophobicContact CD2-CG2 4.4Å; W313-I321 HydrophobicContact CG-CD1 4.17Å; W313-I321 HydrophobicContact CG-CG1 3.94Å; W313-I321 HydrophobicContact CG-CG2 4.09Å; W313-C324 HydrophobicContact CH2-CB 4.45Å; W313-C324 HydrophobicContact CZ3-CB 4.1Å; W313-I325 HydrophobicContact CH2-CG2 3.8Å; W313-I325 HydrophobicContact CZ2-CG2 3.32Å; W313-R331 HydrophobicContact CH2-CG 4.16Å; W313-R331 HydrophobicContact CZ3-CG 4.21Å; W313-L333 HydrophobicContact CD2-CD2 3.64Å; W313-L333 HydrophobicContact CD2-CG 4.33Å; W313-L333 HydrophobicContact CE3-CD2 4.1Å; W313-L333 HydrophobicContact CG-CD2 3.95Å; W313-L333 HydrophobicContact CH2-CD2 4.42Å; W313-L333 HydrophobicContact CH2-CG 4.43Å; W313-L333 HydrophobicContact CZ2-CD2 3.98Å; W313-L333 HydrophobicContact CZ2-CG 3.78Å; W313-L333 HydrophobicContact CZ3-CD2 4.48Å
314	A	95.5	Very high	95.8	Very high	52 Å²	52	43.6 Å²	43.6	43%	0.43	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	132.7	179	0	0	0	0	0	112.5	F310 Q311 P312 L316	F310-A314 HydrophobicContact CE1-CB 4.35Å; F310-A314 HydrophobicContact CZ-CB 4.19Å; Q311-A314 HydrophobicContact CB-CB 4.22Å; Q311-A314 HydrophobicContact CG-CB 4.38Å; Q311-A314 PolarHBondContact O-N 3.11Å; P312-A314 PolarHBondContact O-N 3.35Å; A314-L316 VanDerWaalsContact C-N 3.33Å
315	G	94.1	Very high	95.7	Very high	83 Å²	83	43.5 Å²	43.5	86%	0.856	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-3.9	179.5	0	0	0	0	0	115.6	W313	W313-G315 PolarHBondContact O-N 3.28Å
316	L	94.1	Very high	95.5	Very high	60 Å²	60	45.7 Å²	45.7	31%	0.314	27%	0.266	S	S	.	.			trans	-100.5	144.7	177.4	-56.9	-171.5	0	0	0	112.4	W313 A314 Q320 I321	W313-L316 HydrophobicContact CB-CB 4.49Å; W313-L316 HydrophobicContact CB-CD1 4.38Å; W313-L316 HydrophobicContact CE3-CD1 4Å; W313-L316 WeakPolarHBondContact O-CB 3.3Å; W313-L316 PolarHBondContact O-N 3.01Å; W313-L316 VanDerWaalsContact O-N 3.1Å; A314-L316 VanDerWaalsContact C-N 3.33Å; L316-Q320 HydrophobicContact CB-CB 4.07Å; L316-Q320 HydrophobicContact CD2-CB 4.44Å; L316-I321 HydrophobicContact CB-CD1 4.49Å; L316-I321 HydrophobicContact CB-CG1 3.8Å; L316-I321 HydrophobicContact CD1-CG1 4.47Å
317	T	93.3	Very high	95.3	Very high	79 Å²	79	49.7 Å²	49.7	49%	0.485	29%	0.291	S	S	.	.			trans	-76.4	163	169.6	70.5	0	0	0	0	111.3	Q319 Q320 I321	T317-Q319 PolarHBondContact O-N 2.77Å; T317-Q320 PolarHBondContact O-N 3.39Å; T317-Q320 VanDerWaalsContact O-N 3.08Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.35Å; T317-Q320 PolarHBondContact OG1-N 3.16Å; T317-Q320 PolarHBondContact OG1-OE1 2.71Å; T317-I321 WeakPolarHBondContact O-CG1 3.42Å; T317-I321 PolarHBondContact O-N 3.41Å
318	G	90.8	Very high	95.1	Very high	33 Å²	33	53.9 Å²	53.9	34%	0.34	32%	0.319	S	S	.	.	H	α-helix	trans	-54.7	-39.1	177.1	0	0	0	0	0	113.5	I276 I321 L322	I276-G318 WeakPolarHBondContact CG2-O 3.49Å; G318-I321 PolarHBondContact O-N 3.14Å; G318-L322 PolarHBondContact O-N 2.92Å; G318-L322 VanDerWaalsContact O-N 3.08Å
319	Q	92.4	Very high	94.9	Very high	115 Å²	115	60 Å²	60	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-44.2	176.1	-172.3	61.1	49.9	0	0	111.9	T317 I321 L322 D323	T317-Q319 PolarHBondContact O-N 2.77Å; Q319-I321 VanDerWaalsContact C-N 3.29Å; Q319-I321 PolarHBondContact O-N 3.23Å; Q319-L322 PolarHBondContact O-N 3.31Å; Q319-D323 PolarHBondContact NE2-OD1 2.7Å; Q319-D323 PolarHBondContact O-N 3.27Å
320	Q	94.9	Very high	94.9	Very high	86 Å²	86	62.1 Å²	62.1	40%	0.402	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-36.3	178.2	-71.8	171.2	-31.5	0	0	112.1	L316 T317 D323 C324	L316-Q320 HydrophobicContact CB-CB 4.07Å; L316-Q320 HydrophobicContact CD2-CB 4.44Å; T317-Q320 PolarHBondContact O-N 3.39Å; T317-Q320 VanDerWaalsContact O-N 3.08Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.35Å; T317-Q320 PolarHBondContact OG1-N 3.16Å; T317-Q320 PolarHBondContact OG1-OE1 2.71Å; Q320-D323 PolarHBondContact O-N 3.24Å; Q320-C324 WeakPolarHBondContact O-CB 3.39Å; Q320-C324 PolarHBondContact O-N 3.29Å; Q320-C324 PolarHBondContact O-SG 3.27Å
321	I	94.6	Very high	94.9	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-50.5	173.5	-65.4	170.5	0	0	0	109.8	I276 A277 W313 L316 T317 G318 Q319 D323 C324 I325	I276-I321 HydrophobicContact CG2-CB 4.14Å; I276-I321 HydrophobicContact CG2-CD1 4.45Å; I276-I321 HydrophobicContact CG2-CG2 4.11Å; A277-I321 HydrophobicContact CB-CD1 4.03Å; W313-I321 HydrophobicContact CB-CD1 3.67Å; W313-I321 HydrophobicContact CB-CG1 3.63Å; W313-I321 HydrophobicContact CD2-CG2 4.4Å; W313-I321 HydrophobicContact CG-CD1 4.17Å; W313-I321 HydrophobicContact CG-CG1 3.94Å; W313-I321 HydrophobicContact CG-CG2 4.09Å; L316-I321 HydrophobicContact CB-CD1 4.49Å; L316-I321 HydrophobicContact CB-CG1 3.8Å; L316-I321 HydrophobicContact CD1-CG1 4.47Å; T317-I321 WeakPolarHBondContact O-CG1 3.42Å; T317-I321 PolarHBondContact O-N 3.41Å; G318-I321 PolarHBondContact O-N 3.14Å; Q319-I321 VanDerWaalsContact C-N 3.29Å; Q319-I321 PolarHBondContact O-N 3.23Å; I321-D323 VanDerWaalsContact C-N 3.32Å; I321-D323 PolarHBondContact O-N 2.84Å; I321-C324 WeakPolarHBondContact O-CB 3.18Å; I321-C324 PolarHBondContact O-N 2.88Å; I321-I325 HydrophobicContact CG2-CD1 4.43Å; I321-I325 HydrophobicContact CG2-CG2 4.4Å; I321-I325 WeakPolarHBondContact O-CG1 3.29Å; I321-I325 PolarHBondContact O-N 3.16Å
322	L	94.6	Very high	95	Very high	21 Å²	21	59.2 Å²	59.2	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-55.9	-47.8	177.5	176.7	61.6	0	0	0	111.3	I284 V285 G318 Q319 C324 I325 N326	I284-L322 HydrophobicContact CB-CD1 4.17Å; I284-L322 HydrophobicContact CD1-CD1 4.2Å; I284-L322 HydrophobicContact CG2-CB 4.41Å; I284-L322 HydrophobicContact CG2-CD1 4.05Å; I284-L322 HydrophobicContact CG2-CD2 3.9Å; I284-L322 HydrophobicContact CG2-CG 4.34Å; V285-L322 HydrophobicContact CG2-CD1 3.73Å; V285-L322 HydrophobicContact CG2-CD2 4.13Å; G318-L322 PolarHBondContact O-N 2.92Å; G318-L322 VanDerWaalsContact O-N 3.08Å; Q319-L322 PolarHBondContact O-N 3.31Å; L322-C324 PolarHBondContact O-N 3.34Å; L322-I325 PolarHBondContact O-N 2.99Å; L322-N326 HydrophobicContact CD1-CB 4.06Å; L322-N326 WeakPolarHBondContact O-CB 3.39Å; L322-N326 PolarHBondContact O-N 3.19Å
323	D	95.2	Very high	95	Very high	63 Å²	63	59.6 Å²	59.6	34%	0.337	34%	0.339	S	S	.	.	H	α-helix	trans	-66.5	-23.8	-179.9	-54.6	-21.8	0	0	0	112.7	Q319 Q320 I321 R329	Q319-D323 PolarHBondContact NE2-OD1 2.7Å; Q319-D323 PolarHBondContact O-N 3.27Å; Q320-D323 PolarHBondContact O-N 3.24Å; I321-D323 VanDerWaalsContact C-N 3.32Å; I321-D323 PolarHBondContact O-N 2.84Å; D323-R329 WeakPolarHBondContact O-CD 3.44Å; D323-R329 WeakPolarHBondContact O-CG 3.49Å; D323-R329 PolarHBondContact O-NH1 3.27Å
324	C	96.7	Very high	95.1	Very high	16 Å²	16	63.9 Å²	63.9	11%	0.108	36%	0.363	C	S	.	.	H	α-helix	trans	-75.7	-49.8	173.8	-76	0	0	0	0	111.3	W313 Q320 I321 L322 R329 S330 R331	W313-C324 HydrophobicContact CH2-CB 4.45Å; W313-C324 HydrophobicContact CZ3-CB 4.1Å; Q320-C324 WeakPolarHBondContact O-CB 3.39Å; Q320-C324 PolarHBondContact O-N 3.29Å; Q320-C324 PolarHBondContact O-SG 3.27Å; I321-C324 WeakPolarHBondContact O-CB 3.18Å; I321-C324 PolarHBondContact O-N 2.88Å; L322-C324 PolarHBondContact O-N 3.34Å; C324-R329 WeakPolarHBondContact O-CB 3.48Å; C324-S330 PolarHBondContact O-N 3.2Å; C324-R331 HydrophobicContact CB-CB 4.31Å; C324-R331 WeakPolarHBondContact O-CB 3.41Å; C324-R331 PolarHBondContact O-N 3.35Å
325	I	97.1	Very high	95.2	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-82.2	-25.8	-170.3	67.8	177.5	0	0	0	113.4	P281 I284 W296 W313 I321 L322 R332	P281-I325 HydrophobicContact CG-CD1 4.03Å; P281-I325 HydrophobicContact CG-CG1 4.09Å; I284-I325 HydrophobicContact CD1-CD1 3.89Å; W296-I325 HydrophobicContact CH2-CB 4.02Å; W296-I325 HydrophobicContact CH2-CD1 4.39Å; W296-I325 HydrophobicContact CZ2-CB 3.93Å; W296-I325 HydrophobicContact CZ2-CD1 3.79Å; W296-I325 HydrophobicContact CZ2-CG1 4.35Å; W296-I325 HydrophobicContact CZ2-CG2 4.13Å; W313-I325 HydrophobicContact CH2-CG2 3.8Å; W313-I325 HydrophobicContact CZ2-CG2 3.32Å; I321-I325 HydrophobicContact CG2-CD1 4.43Å; I321-I325 HydrophobicContact CG2-CG2 4.4Å; I321-I325 WeakPolarHBondContact O-CG1 3.29Å; I321-I325 PolarHBondContact O-N 3.16Å; L322-I325 PolarHBondContact O-N 2.99Å; I325-R332 PolarHBondContact O-NH1 2.8Å
326	N	94.7	Very high	95.3	Very high	45 Å²	45	61.1 Å²	61.1	24%	0.241	32%	0.319	C	S	.	.	S	Bend	trans	-83.8	163.4	-177.8	-159.5	15.3	0	0	0	111.8	L322 R329 S330 H353	L322-N326 HydrophobicContact CD1-CB 4.06Å; L322-N326 WeakPolarHBondContact O-CB 3.39Å; L322-N326 PolarHBondContact O-N 3.19Å; N326-R329 PolarHBondContact O-N 3.39Å; N326-R329 VanDerWaalsContact O-N 3.08Å; N326-S330 PolarHBondContact O-N 3.02Å; N326-H353 PolarHBondContact OD1-NE2 2.72Å
327	V	93.5	Very high	95.4	Very high	87 Å²	87	64 Å²	64	53%	0.527	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	140.1	172.7	171.7	0	0	0	0	109.1
328	P	93.6	Very high	95.5	Very high	122 Å²	122	61.2 Å²	61.2	79%	0.792	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.7	-5.3	8.3	35.8	-36.2	0	0	0	115.6
329	R	94.1	Very high	95.9	Very high	158 Å²	158	59.6 Å²	59.6	60%	0.596	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-42.4	-172.6	-62	-161.8	-168.4	127.7	-1.1	112.6	D323 C324 N326 R331	D323-R329 WeakPolarHBondContact O-CD 3.44Å; D323-R329 WeakPolarHBondContact O-CG 3.49Å; D323-R329 PolarHBondContact O-NH1 3.27Å; C324-R329 WeakPolarHBondContact O-CB 3.48Å; N326-R329 PolarHBondContact O-N 3.39Å; N326-R329 VanDerWaalsContact O-N 3.08Å; R329-R331 PolarHBondContact O-N 2.86Å
330	S	95.6	Very high	96.1	Very high	47 Å²	47	54.2 Å²	54.2	33%	0.329	28%	0.276	S	S	.	.			trans	46.7	34.9	178.6	-63.6	0	0	0	0	114.1	C324 N326 R332	C324-S330 PolarHBondContact O-N 3.2Å; N326-S330 PolarHBondContact O-N 3.02Å; S330-R332 PolarHBondContact O-NH1 3.09Å
331	R	97.3	Very high	96.3	Very high	114 Å²	114	51.1 Å²	51.1	43%	0.43	26%	0.263	S	S	.	.			trans	-69	147	177.1	-177.9	-178.7	164.1	-162.5	-1.7	109.7	W313 C324 R329	W313-R331 HydrophobicContact CH2-CG 4.16Å; W313-R331 HydrophobicContact CZ3-CG 4.21Å; C324-R331 HydrophobicContact CB-CB 4.31Å; C324-R331 WeakPolarHBondContact O-CB 3.41Å; C324-R331 PolarHBondContact O-N 3.35Å; R329-R331 PolarHBondContact O-N 2.86Å
332	R	98.2	Very high	96.4	Very high	35 Å²	35	54.8 Å²	54.8	13%	0.132	28%	0.283	C	S	.	.			trans	-121.2	165.1	174.6	-57.6	-58.3	176.7	-107.1	3.9	110.7	I325 S330 L348 W351	I325-R332 PolarHBondContact O-NH1 2.8Å; S330-R332 PolarHBondContact O-NH1 3.09Å; R332-L348 HydrophobicContact CB-CD2 4.13Å; R332-L348 HydrophobicContact CG-CD2 4.16Å; R332-W351 HydrophobicContact CB-CE3 3.91Å; R332-W351 HydrophobicContact CB-CZ3 4.29Å; R332-W351 VanDerWaalsContact CD-CB 3.47Å; R332-W351 HydrophobicContact CG-CB 4.43Å; R332-W351 HydrophobicContact CG-CE3 4.26Å; R332-W351 PolarHBondContact NE-O 3.48Å; R332-W351 PolarHBondContact NH2-O 3.24Å
333	L	98.5	Very high	96.6	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.042	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65	140.5	172.6	-69.4	166.6	0	0	0	109.1	V300 W303 P312 W313 Y344 W351	V300-L333 HydrophobicContact CG1-CD1 4.29Å; W303-L333 HydrophobicContact CB-CD1 4.23Å; W303-L333 HydrophobicContact CD2-CB 4.33Å; W303-L333 HydrophobicContact CD2-CD1 3.8Å; W303-L333 HydrophobicContact CD2-CG 4.49Å; W303-L333 HydrophobicContact CE3-CD1 4.16Å; W303-L333 HydrophobicContact CG-CB 4.17Å; W303-L333 HydrophobicContact CG-CD1 3.83Å; W303-L333 HydrophobicContact CH2-CD2 4.45Å; W303-L333 HydrophobicContact CZ2-CB 4.5Å; W303-L333 HydrophobicContact CZ2-CD2 4.15Å; P312-L333 HydrophobicContact CB-CD1 3.98Å; P312-L333 HydrophobicContact CB-CD2 4.38Å; W313-L333 HydrophobicContact CD2-CD2 3.64Å; W313-L333 HydrophobicContact CD2-CG 4.33Å; W313-L333 HydrophobicContact CE3-CD2 4.1Å; W313-L333 HydrophobicContact CG-CD2 3.95Å; W313-L333 HydrophobicContact CH2-CD2 4.42Å; W313-L333 HydrophobicContact CH2-CG 4.43Å; W313-L333 HydrophobicContact CZ2-CD2 3.98Å; W313-L333 HydrophobicContact CZ2-CG 3.78Å; W313-L333 HydrophobicContact CZ3-CD2 4.48Å; L333-Y344 PolarHBondContact O-OH 2.95Å; L333-Y344 VanDerWaalsContact O-OH 3.11Å; L333-W351 HydrophobicContact CB-CH2 3.83Å; L333-W351 HydrophobicContact CB-CZ3 4.18Å; L333-W351 HydrophobicContact CD1-CH2 4.11Å; L333-W351 HydrophobicContact CD1-CZ2 4.01Å; L333-W351 HydrophobicContact CG-CH2 4.45Å
334	D	97.7	Very high	96.8	Very high	108 Å²	108	52.7 Å²	52.7	58%	0.578	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-68.9	153.4	-178.3	-60.3	-53.8	0	0	0	111.6	W303 P336	W303-D334 PolarHBondContact NE1-O 3.42Å; D334-P336 WeakPolarHBondContact O-CD 3.45Å
335	K	97.9	Very high	96.9	Very high	68 Å²	68	55.6 Å²	55.6	30%	0.296	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-61.6	124	178.7	-176.8	176.6	173	-174.7	0	110.6	C339 S341 Y344	K335-C339 WeakPolarHBondContact CE-O 3.24Å; K335-C339 HydrophobicContact CG-CB 4.39Å; K335-C339 PolarHBondContact NZ-O 3.21Å; K335-C339 VanDerWaalsContact NZ-O 3.16Å; K335-S341 VanDerWaalsContact NZ-CA 3.32Å; K335-S341 PolarHBondContact NZ-OG 3.03Å; K335-Y344 HydrophobicContact CB-CD1 3.79Å; K335-Y344 HydrophobicContact CB-CD2 3.71Å; K335-Y344 HydrophobicContact CB-CE1 3.74Å; K335-Y344 HydrophobicContact CB-CE2 3.67Å; K335-Y344 HydrophobicContact CB-CG 3.75Å; K335-Y344 HydrophobicContact CD-CD1 3.91Å; K335-Y344 HydrophobicContact CD-CG 3.92Å; K335-Y344 HydrophobicContact CG-CD1 3.91Å; K335-Y344 HydrophobicContact CG-CD2 3.83Å; K335-Y344 HydrophobicContact CG-CE1 4.38Å; K335-Y344 HydrophobicContact CG-CE2 4.33Å; K335-Y344 HydrophobicContact CG-CG 3.58Å; K335-Y344 PolarHBondContact N-OH 2.99Å
336	P	97.6	Very high	96.9	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.058	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-65.1	145.6	172.6	-19.7	32.3	0	0	0	112	W303 F306 T307 D334 L338 C339	W303-P336 HydrophobicContact CG-CG 4.25Å; F306-P336 HydrophobicContact CB-CB 4.01Å; F306-P336 HydrophobicContact CB-CG 4.05Å; T307-P336 HydrophobicContact CG2-CB 3.71Å; T307-P336 HydrophobicContact CG2-CG 3.6Å; D334-P336 WeakPolarHBondContact O-CD 3.45Å; P336-L338 PolarHBondContact O-N 3.36Å; P336-C339 HydrophobicContact CB-CB 3.88Å; P336-C339 HydrophobicContact CG-CB 4.03Å; P336-C339 VanDerWaalsContact O-CB 3.29Å; P336-C339 WeakPolarHBondContact O-CB 3.43Å; P336-C339 PolarHBondContact O-N 2.96Å
337	D	94.7	Very high	97.1	Very high	122 Å²	122	53.4 Å²	53.4	65%	0.652	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.7	-176.2	-75.2	-37.9	0	0	0	114.3
338	L	96.4	Very high	97.4	Very high	19 Å²	19	52 Å²	52	10%	0.099	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	6.3	-177	-56.9	-173.6	0	0	0	113.1	V206 Y308 P336 L401 V417 A423	V206-L338 HydrophobicContact CG2-CB 4.23Å; V206-L338 WeakPolarHBondContact CG2-O 3.48Å; Y308-L338 HydrophobicContact CD2-CD1 4.21Å; Y308-L338 HydrophobicContact CE2-CB 4.2Å; Y308-L338 HydrophobicContact CE2-CD1 3.5Å; Y308-L338 VanDerWaalsContact CE2-CD1 3.5Å; Y308-L338 HydrophobicContact CE2-CG 4.42Å; P336-L338 PolarHBondContact O-N 3.36Å; L338-L401 HydrophobicContact CD2-CD1 4.48Å; L338-L401 WeakPolarHBondContact O-CD2 3.21Å; L338-V417 HydrophobicContact CD2-CB 4.44Å; L338-V417 HydrophobicContact CD2-CG2 3.88Å; L338-A423 HydrophobicContact CD2-CB 3.4Å
339	C	98.1	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-82.1	126.1	179.2	-173.8	0	0	0	0	110.7	F306 K335 P336 M347	F306-C339 HydrophobicContact CB-CB 3.77Å; F306-C339 HydrophobicContact CD1-CB 4.44Å; F306-C339 HydrophobicContact CD2-CB 4.47Å; F306-C339 HydrophobicContact CG-CB 3.99Å; K335-C339 WeakPolarHBondContact CE-O 3.24Å; K335-C339 HydrophobicContact CG-CB 4.39Å; K335-C339 PolarHBondContact NZ-O 3.21Å; K335-C339 VanDerWaalsContact NZ-O 3.16Å; P336-C339 HydrophobicContact CB-CB 3.88Å; P336-C339 HydrophobicContact CG-CB 4.03Å; P336-C339 VanDerWaalsContact O-CB 3.29Å; P336-C339 WeakPolarHBondContact O-CB 3.43Å; P336-C339 PolarHBondContact O-N 2.96Å; C339-M347 VanDerWaalsContact SG-CE 3.58Å
340	P	98.1	Very high	97.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.013	21%	0.214	C	C	.	.			trans	-55	140.4	166.5	-23.8	34	0	0	0	111.3	V206 F306 D342 Y343 Y344 P373 L401	V206-P340 HydrophobicContact CG1-CG 3.78Å; F306-P340 HydrophobicContact CE1-CG 4.45Å; P340-D342 VanDerWaalsContact C-N 3.26Å; P340-D342 PolarHBondContact O-N 3.44Å; P340-Y343 HydrophobicContact CB-CD2 4.12Å; P340-Y343 HydrophobicContact CG-CD2 4.26Å; P340-Y343 PolarHBondContact O-N 3.07Å; P340-Y344 PolarHBondContact O-N 3.04Å; P340-Y344 VanDerWaalsContact O-N 3.12Å; P340-P373 HydrophobicContact CB-CB 4.22Å; P340-P373 HydrophobicContact CB-CG 4.46Å; P340-P373 HydrophobicContact CG-CB 4.06Å; P340-P373 HydrophobicContact CG-CG 3.87Å; P340-L401 WeakPolarHBondContact CA-O 3.49Å; P340-L401 HydrophobicContact CG-CD2 4.02Å
341	S	97.5	Very high	98	Very high	20 Å²	20	40.8 Å²	40.8	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-38.6	-178.3	-73.2	0	0	0	0	113.2	K335 Y344 N345 L401 N402	K335-S341 VanDerWaalsContact NZ-CA 3.32Å; K335-S341 PolarHBondContact NZ-OG 3.03Å; S341-Y344 PolarHBondContact O-N 3.41Å; S341-N345 VanDerWaalsContact O-CG 3.24Å; S341-N345 PolarHBondContact O-N 3.16Å; S341-N345 PolarHBondContact O-ND2 3.34Å; S341-L401 PolarHBondContact N-O 2.87Å; S341-L401 PolarHBondContact OG-O 3.5Å; S341-N402 WeakPolarHBondContact OG-CB 3.36Å; S341-N402 VanDerWaalsContact OG-CG 3.27Å; S341-N402 PolarHBondContact OG-ND2 3.12Å
342	D	98	Very high	98.1	Very high	86 Å²	86	39.3 Å²	39.3	46%	0.46	20%	0.198	S	C	.	.	H	α-helix	trans	-70	-35.4	-178.4	-58	-48.6	0	0	0	112.4	P340 N345 L346 I371	P340-D342 VanDerWaalsContact C-N 3.26Å; P340-D342 PolarHBondContact O-N 3.44Å; D342-N345 PolarHBondContact O-N 3.12Å; D342-L346 WeakPolarHBondContact O-CB 3.35Å; D342-L346 PolarHBondContact O-N 3.15Å; D342-I371 HydrophobicContact CB-CB 3.91Å; D342-I371 HydrophobicContact CB-CD1 4.42Å; D342-I371 HydrophobicContact CB-CG2 4.38Å
343	Y	98.7	Very high	98.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-38.4	171.5	-88.3	-99.7	0	0	0	112	C210 A213 F306 P340 L346 M347 L368 I371	C210-Y343 HydrophobicContact CB-CE2 4.36Å; C210-Y343 WeakPolarHBondContact CB-OH 3.39Å; A213-Y343 HydrophobicContact CB-CE1 3.78Å; F306-Y343 AromaticContact CE2-CD1 3.57Å; F306-Y343 HydrophobicContact CE2-CD1 3.57Å; F306-Y343 HydrophobicContact CE2-CE1 4.3Å; F306-Y343 HydrophobicContact CE2-CG 4.03Å; F306-Y343 AromaticContact CZ-CD1 3.69Å; F306-Y343 HydrophobicContact CZ-CD1 3.69Å; F306-Y343 HydrophobicContact CZ-CE1 4.12Å; F306-Y343 AromaticContact CZ-CG 3.97Å; F306-Y343 HydrophobicContact CZ-CG 3.97Å; P340-Y343 HydrophobicContact CB-CD2 4.12Å; P340-Y343 HydrophobicContact CG-CD2 4.26Å; P340-Y343 PolarHBondContact O-N 3.07Å; Y343-L346 WeakPolarHBondContact O-CB 3.38Å; Y343-L346 PolarHBondContact O-N 3.24Å; Y343-M347 WeakPolarHBondContact O-CG 3.41Å; Y343-M347 PolarHBondContact O-N 3.37Å; Y343-L368 HydrophobicContact CD1-CD2 4.49Å; Y343-L368 HydrophobicContact CE1-CD2 3.71Å; Y343-I371 HydrophobicContact CD2-CD1 4.21Å; Y343-I371 HydrophobicContact CD2-CG1 4.44Å; Y343-I371 HydrophobicContact CE2-CD1 4.25Å; Y343-I371 HydrophobicContact CE2-CG1 4.1Å
344	Y	98.6	Very high	98	Very high	39 Å²	39	45.2 Å²	45.2	15%	0.153	23%	0.227	C	C	.	.	H	α-helix	trans	-68.4	-39.4	174.2	-175.8	-110.7	0	0	0	112.3	L333 K335 P340 S341 L346 M347 L348 W351	L333-Y344 PolarHBondContact O-OH 2.95Å; L333-Y344 VanDerWaalsContact O-OH 3.11Å; K335-Y344 HydrophobicContact CB-CD1 3.79Å; K335-Y344 HydrophobicContact CB-CD2 3.71Å; K335-Y344 HydrophobicContact CB-CE1 3.74Å; K335-Y344 HydrophobicContact CB-CE2 3.67Å; K335-Y344 HydrophobicContact CB-CG 3.75Å; K335-Y344 HydrophobicContact CD-CD1 3.91Å; K335-Y344 HydrophobicContact CD-CG 3.92Å; K335-Y344 HydrophobicContact CG-CD1 3.91Å; K335-Y344 HydrophobicContact CG-CD2 3.83Å; K335-Y344 HydrophobicContact CG-CE1 4.38Å; K335-Y344 HydrophobicContact CG-CE2 4.33Å; K335-Y344 HydrophobicContact CG-CG 3.58Å; K335-Y344 PolarHBondContact N-OH 2.99Å; P340-Y344 PolarHBondContact O-N 3.04Å; P340-Y344 VanDerWaalsContact O-N 3.12Å; S341-Y344 PolarHBondContact O-N 3.41Å; Y344-L346 VanDerWaalsContact C-N 3.26Å; Y344-L346 PolarHBondContact O-N 2.65Å; Y344-M347 HydrophobicContact CD2-SD 4Å; Y344-M347 WeakPolarHBondContact O-CB 3.36Å; Y344-M347 PolarHBondContact O-N 3.22Å; Y344-M347 VanDerWaalsContact O-N 3.13Å; Y344-L348 HydrophobicContact CD1-CD1 4.14Å; Y344-L348 HydrophobicContact CD1-CG 4.43Å; Y344-L348 HydrophobicContact CE1-CD1 3.78Å; Y344-L348 HydrophobicContact CE1-CD2 4.31Å; Y344-L348 HydrophobicContact CE1-CG 4.09Å; Y344-L348 WeakPolarHBondContact O-CG 3.18Å; Y344-L348 PolarHBondContact O-N 2.95Å; Y344-W351 HydrophobicContact CE2-CZ3 4.41Å
345	N	98.4	Very high	98	Very high	77 Å²	77	41.6 Å²	41.6	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-37.4	173.4	-68.2	-28.7	0	0	0	111.5	S341 D342 L348 Q349	S341-N345 VanDerWaalsContact O-CG 3.24Å; S341-N345 PolarHBondContact O-N 3.16Å; S341-N345 PolarHBondContact O-ND2 3.34Å; D342-N345 PolarHBondContact O-N 3.12Å; N345-L348 PolarHBondContact O-N 3.49Å; N345-Q349 WeakPolarHBondContact O-CG 3.41Å; N345-Q349 PolarHBondContact O-N 3.48Å; N345-Q349 PolarHBondContact O-NE2 3.43Å
346	L	98.7	Very high	98	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-44.7	171.2	170.5	60.6	0	0	0	111.6	L302 D342 Y343 Y344 L348 Q349 C350 P359 L364 L367 L368 I371	L302-L346 HydrophobicContact CD1-CD2 4.26Å; D342-L346 WeakPolarHBondContact O-CB 3.35Å; D342-L346 PolarHBondContact O-N 3.15Å; Y343-L346 WeakPolarHBondContact O-CB 3.38Å; Y343-L346 PolarHBondContact O-N 3.24Å; Y344-L346 VanDerWaalsContact C-N 3.26Å; Y344-L346 PolarHBondContact O-N 2.65Å; L346-L348 VanDerWaalsContact C-N 3.28Å; L346-L348 PolarHBondContact O-N 3Å; L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 3.24Å; L346-Q349 VanDerWaalsContact O-N 3.11Å; L346-C350 PolarHBondContact O-N 3.16Å; L346-C350 PolarHBondContact O-SG 3.07Å; L346-C350 VanDerWaalsContact O-SG 3.35Å; L346-P359 HydrophobicContact CD1-CG 4.44Å; L346-L364 HydrophobicContact CD1-CD1 4.13Å; L346-L364 HydrophobicContact CD1-CD2 3.3Å; L346-L364 HydrophobicContact CD1-CG 4.35Å; L346-L364 HydrophobicContact CD2-CD2 4.46Å; L346-L367 HydrophobicContact CD1-CD2 4.33Å; L346-L368 HydrophobicContact CD2-CD2 3.55Å; L346-L368 HydrophobicContact CD2-CG 4.46Å; L346-I371 HydrophobicContact CB-CD1 4.29Å; L346-I371 HydrophobicContact CD2-CD1 4.03Å
347	M	98.8	Very high	98.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-41.4	175.6	-66.2	167.8	-160.5	0	0	111.9	L302 W303 F306 C339 Y343 Y344 Q349 C350 W351	L302-M347 HydrophobicContact CB-CE 3.62Å; L302-M347 HydrophobicContact CB-CG 4.11Å; L302-M347 HydrophobicContact CB-SD 4.48Å; L302-M347 HydrophobicContact CD1-CG 4.28Å; W303-M347 HydrophobicContact CB-SD 4.16Å; F306-M347 HydrophobicContact CD2-CE 3.5Å; F306-M347 VanDerWaalsContact CD2-CE 3.5Å; F306-M347 HydrophobicContact CE2-CE 4.03Å; C339-M347 VanDerWaalsContact SG-CE 3.58Å; Y343-M347 WeakPolarHBondContact O-CG 3.41Å; Y343-M347 PolarHBondContact O-N 3.37Å; Y344-M347 HydrophobicContact CD2-SD 4Å; Y344-M347 WeakPolarHBondContact O-CB 3.36Å; Y344-M347 PolarHBondContact O-N 3.22Å; Y344-M347 VanDerWaalsContact O-N 3.13Å; M347-Q349 VanDerWaalsContact C-N 3.32Å; M347-Q349 PolarHBondContact O-N 3.33Å; M347-C350 WeakPolarHBondContact O-CB 3.48Å; M347-C350 PolarHBondContact O-N 2.85Å; M347-C350 VanDerWaalsContact O-N 3.16Å; M347-W351 HydrophobicContact CB-CD2 4.45Å; M347-W351 HydrophobicContact CB-CE3 4.08Å; M347-W351 HydrophobicContact CB-CH2 3.75Å; M347-W351 HydrophobicContact CB-CZ2 4.14Å; M347-W351 HydrophobicContact CB-CZ3 3.72Å; M347-W351 HydrophobicContact CG-CH2 4.26Å; M347-W351 VanDerWaalsContact O-CG 3.3Å; M347-W351 PolarHBondContact O-N 3.21Å; M347-W351 HydrophobicContact SD-CH2 4.09Å
348	L	98.8	Very high	98.3	Very high	57 Å²	57	41 Å²	41	30%	0.298	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-41.4	175.8	-67.8	175.1	0	0	0	111.9	R332 Y344 N345 L346 W351 E352	R332-L348 HydrophobicContact CB-CD2 4.13Å; R332-L348 HydrophobicContact CG-CD2 4.16Å; Y344-L348 HydrophobicContact CD1-CD1 4.14Å; Y344-L348 HydrophobicContact CD1-CG 4.43Å; Y344-L348 HydrophobicContact CE1-CD1 3.78Å; Y344-L348 HydrophobicContact CE1-CD2 4.31Å; Y344-L348 HydrophobicContact CE1-CG 4.09Å; Y344-L348 WeakPolarHBondContact O-CG 3.18Å; Y344-L348 PolarHBondContact O-N 2.95Å; N345-L348 PolarHBondContact O-N 3.49Å; L346-L348 VanDerWaalsContact C-N 3.28Å; L346-L348 PolarHBondContact O-N 3Å; L348-W351 HydrophobicContact CD2-CE3 4.39Å; L348-W351 CarbonylContact O-C 3.58Å; L348-W351 PolarHBondContact O-N 3.02Å; L348-W351 VanDerWaalsContact O-N 3.14Å; L348-E352 PolarHBondContact O-N 2.95Å
349	Q	98.7	Very high	98.4	Very high	87 Å²	87	41.3 Å²	41.3	41%	0.407	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-39.8	173.7	-66.9	170.6	53.7	0	0	112.2	N345 L346 M347 W351 E352 P359	N345-Q349 WeakPolarHBondContact O-CG 3.41Å; N345-Q349 PolarHBondContact O-N 3.48Å; N345-Q349 PolarHBondContact O-NE2 3.43Å; L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 3.24Å; L346-Q349 VanDerWaalsContact O-N 3.11Å; M347-Q349 VanDerWaalsContact C-N 3.32Å; M347-Q349 PolarHBondContact O-N 3.33Å; Q349-W351 PolarHBondContact O-N 3.26Å; Q349-E352 WeakPolarHBondContact O-CG 3.36Å; Q349-E352 PolarHBondContact O-N 3.2Å; Q349-P359 HydrophobicContact CB-CG 4.48Å; Q349-P359 WeakPolarHBondContact O-CD 3.44Å
350	C	98.8	Very high	98.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-27.8	173.9	-67.7	0	0	0	0	112.5	I295 W296 L346 M347 R358	I295-C350 HydrophobicContact CG2-CB 3.89Å; I295-C350 WeakPolarHBondContact O-CB 3.4Å; W296-C350 WeakPolarHBondContact CA-O 3.34Å; L346-C350 PolarHBondContact O-N 3.16Å; L346-C350 PolarHBondContact O-SG 3.07Å; L346-C350 VanDerWaalsContact O-SG 3.35Å; M347-C350 WeakPolarHBondContact O-CB 3.48Å; M347-C350 PolarHBondContact O-N 2.85Å; M347-C350 VanDerWaalsContact O-N 3.16Å; C350-R358 VanDerWaalsContact O-CD 3.31Å; C350-R358 WeakPolarHBondContact O-CD 3.45Å
351	W	98.7	Very high	98.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.015	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	22.2	178.7	-53.8	-40.4	0	0	0	113.8	W296 G299 V300 W303 R332 L333 Y344 M347 L348 Q349 H353	W296-W351 AromaticContact CD2-CD1 3.68Å; W296-W351 HydrophobicContact CD2-CG 4.44Å; W296-W351 AromaticContact CE2-CD1 3.84Å; W296-W351 HydrophobicContact CE3-CB 4.09Å; W296-W351 HydrophobicContact CE3-CG 4.5Å; W296-W351 AromaticContact CG-CD1 3.89Å; W296-W351 HydrophobicContact CH2-CB 4.19Å; W296-W351 HydrophobicContact CZ3-CB 3.93Å; W296-W351 WeakPolarHBondContact CZ3-O 3.45Å; W296-W351 PolarHBondContact O-NE1 3.16Å; G299-W351 VanDerWaalsContact O-CZ2 3.28Å; G299-W351 WeakPolarHBondContact O-CZ2 3.28Å; V300-W351 HydrophobicContact CG2-CZ2 4.23Å; W303-W351 HydrophobicContact CB-CH2 4.1Å; W303-W351 HydrophobicContact CB-CZ2 4.18Å; W303-W351 HydrophobicContact CG-CH2 4.35Å; R332-W351 HydrophobicContact CB-CE3 3.91Å; R332-W351 HydrophobicContact CB-CZ3 4.29Å; R332-W351 VanDerWaalsContact CD-CB 3.47Å; R332-W351 HydrophobicContact CG-CB 4.43Å; R332-W351 HydrophobicContact CG-CE3 4.26Å; R332-W351 PolarHBondContact NE-O 3.48Å; R332-W351 PolarHBondContact NH2-O 3.24Å; L333-W351 HydrophobicContact CB-CH2 3.83Å; L333-W351 HydrophobicContact CB-CZ3 4.18Å; L333-W351 HydrophobicContact CD1-CH2 4.11Å; L333-W351 HydrophobicContact CD1-CZ2 4.01Å; L333-W351 HydrophobicContact CG-CH2 4.45Å; Y344-W351 HydrophobicContact CE2-CZ3 4.41Å; M347-W351 HydrophobicContact CB-CD2 4.45Å; M347-W351 HydrophobicContact CB-CE3 4.08Å; M347-W351 HydrophobicContact CB-CH2 3.75Å; M347-W351 HydrophobicContact CB-CZ2 4.14Å; M347-W351 HydrophobicContact CB-CZ3 3.72Å; M347-W351 HydrophobicContact CG-CH2 4.26Å; M347-W351 VanDerWaalsContact O-CG 3.3Å; M347-W351 PolarHBondContact O-N 3.21Å; M347-W351 HydrophobicContact SD-CH2 4.09Å; L348-W351 HydrophobicContact CD2-CE3 4.39Å; L348-W351 CarbonylContact O-C 3.58Å; L348-W351 PolarHBondContact O-N 3.02Å; L348-W351 VanDerWaalsContact O-N 3.14Å; Q349-W351 PolarHBondContact O-N 3.26Å; W351-H353 PolarHBondContact O-N 2.92Å
352	E	98.6	Very high	98.4	Very high	83 Å²	83	49.5 Å²	49.5	39%	0.388	27%	0.267	S	S	.	.			trans	-55.9	135.3	165.8	-78.3	-60.8	150.3	0	0	109.9	L348 Q349 N357 R358	L348-E352 PolarHBondContact O-N 2.95Å; Q349-E352 WeakPolarHBondContact O-CG 3.36Å; Q349-E352 PolarHBondContact O-N 3.2Å; E352-N357 HydrophobicContact CB-CB 3.94Å; E352-N357 HydrophobicContact CG-CB 4.14Å; E352-R358 HydrophobicContact CB-CG 3.98Å; E352-R358 PolarHBondContact O-NE 3.05Å; E352-R358 PolarHBondContact O-NH2 3.28Å
353	H	98	Very high	98.4	Very high	58 Å²	58	48.7 Å²	48.7	27%	0.269	27%	0.268	S	S	.	.	S	Bend	trans	-63.3	-49.5	-174.4	-179.4	-93.5	0	0	0	110.6	N326 W351 P355 R358	N326-H353 PolarHBondContact OD1-NE2 2.72Å; W351-H353 PolarHBondContact O-N 2.92Å; H353-P355 WeakPolarHBondContact O-CD 3.42Å; H353-R358 PolarHBondContact O-NH2 2.78Å
354	E	97.7	Very high	98.4	Very high	110 Å²	110	48.8 Å²	48.8	51%	0.514	27%	0.268	S	S	.	.	S	Bend	trans	-72.4	119.9	176	-176.8	54.5	-135.5	0	0	110.7	G356 N357	E354-G356 PolarHBondContact O-N 3.48Å; E354-G356 VanDerWaalsContact O-N 3.12Å; E354-N357 PolarHBondContact O-N 3.05Å
355	P	97.8	Very high	98.4	Very high	31 Å²	31	49.8 Å²	49.8	20%	0.201	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-57.8	-29.9	-178	-26.9	35.3	0	0	0	114.3	E282 A292 H353 N357 R358	E282-P355 HydrophobicContact CG-CG 4.16Å; A292-P355 HydrophobicContact CB-CB 3.88Å; H353-P355 WeakPolarHBondContact O-CD 3.42Å; P355-N357 VanDerWaalsContact C-N 3.26Å; P355-N357 PolarHBondContact O-N 3.14Å; P355-R358 PolarHBondContact O-N 3.43Å
356	G	97.8	Very high	98.4	Very high	65 Å²	65	50.1 Å²	50.1	67%	0.67	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-68.7	-19.5	178.3	0	0	0	0	0	114.9	E354	E354-G356 PolarHBondContact O-N 3.48Å; E354-G356 VanDerWaalsContact O-N 3.12Å
357	N	98.5	Very high	98.4	Very high	110 Å²	110	52.8 Å²	52.8	59%	0.588	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-89.4	-12.8	178.9	-68.3	-14.1	0	0	0	112.9	E352 E354 P355	E352-N357 HydrophobicContact CB-CB 3.94Å; E352-N357 HydrophobicContact CG-CB 4.14Å; E354-N357 PolarHBondContact O-N 3.05Å; P355-N357 VanDerWaalsContact C-N 3.26Å; P355-N357 PolarHBondContact O-N 3.14Å
358	R	98.7	Very high	98.3	Very high	13 Å²	13	52.8 Å²	52.8	5%	0.049	30%	0.301	C	S	.	.	S	Bend	trans	-72.6	146.5	178.3	-60.4	176.9	-163.3	153.9	10.9	110	E282 A292 I295 C350 E352 H353 P355	E282-R358 IonicContact OE1-CZ 2.72Å; E282-R358 IonicContact OE1-NH1 2.87Å; E282-R358 PolarHBondContact OE1-NH1 3.47Å; E282-R358 IonicContact OE1-NH2 2.68Å; E282-R358 PolarHBondContact OE1-NH2 2.65Å; E282-R358 IonicContact OE2-CZ 2.88Å; E282-R358 IonicContact OE2-NH1 2.79Å; E282-R358 IonicContact OE2-NH2 2.77Å; E282-R358 PolarHBondContact OE2-NH2 3.41Å; A292-R358 VanDerWaalsContact O-CD 3.27Å; A292-R358 WeakPolarHBondContact O-CD 3.47Å; A292-R358 PolarHBondContact O-NH1 2.92Å; I295-R358 HydrophobicContact CG2-CB 3.96Å; C350-R358 VanDerWaalsContact O-CD 3.31Å; C350-R358 WeakPolarHBondContact O-CD 3.45Å; E352-R358 HydrophobicContact CB-CG 3.98Å; E352-R358 PolarHBondContact O-NE 3.05Å; E352-R358 PolarHBondContact O-NH2 3.28Å; H353-R358 PolarHBondContact O-NH2 2.78Å; P355-R358 PolarHBondContact O-N 3.43Å
359	P	98.5	Very high	98.3	Very high	24 Å²	24	53.2 Å²	53.2	16%	0.156	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-65.9	162	175.4	29.3	-35.7	0	0	0	111.2	I295 L346 Q349 L364	I295-P359 WeakPolarHBondContact CD1-O 3.46Å; I295-P359 VanDerWaalsContact CG1-O 3.26Å; I295-P359 WeakPolarHBondContact CG1-O 3.49Å; I295-P359 HydrophobicContact CG2-CG 4.13Å; L346-P359 HydrophobicContact CD1-CG 4.44Å; Q349-P359 HydrophobicContact CB-CG 4.48Å; Q349-P359 WeakPolarHBondContact O-CD 3.44Å; P359-L364 HydrophobicContact CB-CD1 4.46Å; P359-L364 HydrophobicContact CB-CD2 3.69Å; P359-L364 HydrophobicContact CB-CG 4.03Å; P359-L364 HydrophobicContact CG-CD1 4.09Å; P359-L364 HydrophobicContact CG-CD2 3.83Å; P359-L364 HydrophobicContact CG-CG 4.16Å
360	K	98.5	Very high	98.2	Very high	131 Å²	131	55.5 Å²	55.5	57%	0.57	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-95.4	151.4	170.5	-63.4	-177.9	-178.2	176.8	0	110.4	S362 S363 L364	K360-S362 VanDerWaalsContact C-N 3.25Å; K360-S362 PolarHBondContact O-N 3.22Å; K360-S363 WeakPolarHBondContact O-CB 3.39Å; K360-S363 PolarHBondContact O-N 3.33Å; K360-L364 WeakPolarHBondContact O-CG 3.11Å; K360-L364 PolarHBondContact O-N 2.95Å
361	F	98.7	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-40.6	178.4	-77	-70	0	0	0	111.5	M220 A221 E224 L233 D294 I295 F298 S363 L364 V365	M220-F361 HydrophobicContact CB-CD1 3.45Å; M220-F361 VanDerWaalsContact CB-CD1 3.45Å; M220-F361 HydrophobicContact CB-CD2 3.92Å; M220-F361 HydrophobicContact CB-CE1 3.36Å; M220-F361 HydrophobicContact CB-CE2 3.84Å; M220-F361 HydrophobicContact CB-CG 3.73Å; M220-F361 HydrophobicContact CB-CZ 3.57Å; M220-F361 HydrophobicContact CE-CE2 3.74Å; M220-F361 HydrophobicContact CE-CZ 3.77Å; M220-F361 HydrophobicContact CG-CD1 4.43Å; M220-F361 HydrophobicContact CG-CE1 3.88Å; M220-F361 HydrophobicContact CG-CE2 4.49Å; M220-F361 HydrophobicContact CG-CZ 3.92Å; A221-F361 HydrophobicContact CB-CB 3.85Å; E224-F361 HydrophobicContact CB-CD2 4.43Å; E224-F361 PolarHBondContact OE2-N 3.31Å; L233-F361 HydrophobicContact CD2-CZ 4.38Å; D294-F361 HydrophobicContact CB-CE2 3.9Å; D294-F361 HydrophobicContact CB-CZ 4.22Å; I295-F361 HydrophobicContact CD1-CB 4.41Å; I295-F361 HydrophobicContact CD1-CD1 3.66Å; I295-F361 HydrophobicContact CD1-CD2 3.56Å; I295-F361 HydrophobicContact CD1-CE1 3.67Å; I295-F361 HydrophobicContact CD1-CE2 3.57Å; I295-F361 HydrophobicContact CD1-CG 3.6Å; I295-F361 HydrophobicContact CD1-CZ 3.62Å; I295-F361 HydrophobicContact CG1-CD2 3.99Å; I295-F361 HydrophobicContact CG1-CE2 3.71Å; I295-F361 HydrophobicContact CG1-CZ 4.02Å; F298-F361 HydrophobicContact CB-CE1 3.81Å; F298-F361 HydrophobicContact CB-CZ 3.91Å; F298-F361 HydrophobicContact CD1-CE1 4.15Å; F298-F361 HydrophobicContact CD2-CE1 4.08Å; F298-F361 AromaticContact CG-CE1 3.75Å; F298-F361 HydrophobicContact CG-CE1 3.75Å; F298-F361 HydrophobicContact CG-CZ 4.37Å; F361-S363 VanDerWaalsContact C-N 3.26Å; F361-S363 PolarHBondContact O-N 2.9Å; F361-L364 PolarHBondContact O-N 3.13Å; F361-V365 WeakPolarHBondContact O-CG2 3.41Å; F361-V365 PolarHBondContact O-N 3.19Å
362	S	97.7	Very high	98	Very high	64 Å²	64	60.8 Å²	60.8	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-52.5	-38.7	172.5	43.7	0	0	0	0	114.3	E224 K360	E224-S362 PolarHBondContact OE2-N 2.9Å; E224-S362 PolarHBondContact OE2-OG 2.87Å; K360-S362 VanDerWaalsContact C-N 3.25Å; K360-S362 PolarHBondContact O-N 3.22Å
363	S	98.3	Very high	97.9	Very high	69 Å²	69	57.4 Å²	57.4	48%	0.483	33%	0.329	S	S	.	.	H	α-helix	trans	-75	-38	174.8	-54.3	0	0	0	0	112.1	K360 F361 V365 S366 L367	K360-S363 WeakPolarHBondContact O-CB 3.39Å; K360-S363 PolarHBondContact O-N 3.33Å; F361-S363 VanDerWaalsContact C-N 3.26Å; F361-S363 PolarHBondContact O-N 2.9Å; S363-V365 VanDerWaalsContact C-N 3.35Å; S363-V365 PolarHBondContact O-N 3.13Å; S363-S366 PolarHBondContact O-N 3.15Å; S363-L367 PolarHBondContact O-N 3.13Å; S363-L367 VanDerWaalsContact O-N 3.14Å
364	L	98.6	Very high	97.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-33.2	-179.6	-65.8	-170.6	0	0	0	113.3	C217 I295 F298 L346 P359 K360 F361 S366 L367 L368	C217-L364 WeakPolarHBondContact SG-CB 3.28Å; I295-L364 HydrophobicContact CD1-CD1 3.95Å; F298-L364 HydrophobicContact CD1-CD1 4.04Å; F298-L364 HydrophobicContact CE1-CD1 3.82Å; L346-L364 HydrophobicContact CD1-CD1 4.13Å; L346-L364 HydrophobicContact CD1-CD2 3.3Å; L346-L364 HydrophobicContact CD1-CG 4.35Å; L346-L364 HydrophobicContact CD2-CD2 4.46Å; P359-L364 HydrophobicContact CB-CD1 4.46Å; P359-L364 HydrophobicContact CB-CD2 3.69Å; P359-L364 HydrophobicContact CB-CG 4.03Å; P359-L364 HydrophobicContact CG-CD1 4.09Å; P359-L364 HydrophobicContact CG-CD2 3.83Å; P359-L364 HydrophobicContact CG-CG 4.16Å; K360-L364 WeakPolarHBondContact O-CG 3.11Å; K360-L364 PolarHBondContact O-N 2.95Å; F361-L364 PolarHBondContact O-N 3.13Å; L364-S366 PolarHBondContact O-N 3.38Å; L364-L367 HydrophobicContact CD2-CD2 3.95Å; L364-L367 PolarHBondContact O-N 2.91Å; L364-L367 VanDerWaalsContact O-N 3.12Å; L364-L368 VanDerWaalsContact O-CG 3.32Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 3.36Å
365	V	98.5	Very high	97.7	Very high	60 Å²	60	54.8 Å²	54.8	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-34.6	173.8	170.5	0	0	0	0	111.7	A221 F361 S363 P369	A221-V365 HydrophobicContact CB-CG2 3.69Å; F361-V365 WeakPolarHBondContact O-CG2 3.41Å; F361-V365 PolarHBondContact O-N 3.19Å; S363-V365 VanDerWaalsContact C-N 3.35Å; S363-V365 PolarHBondContact O-N 3.13Å; V365-P369 WeakPolarHBondContact O-CD 3.49Å
366	S	97.7	Very high	97.7	Very high	83 Å²	83	53.4 Å²	53.4	58%	0.58	31%	0.307	S	S	*	.	H	α-helix	trans	-80.9	-34.5	175.8	-55.2	0	0	0	0	112.4	S363 L364	S363-S366 PolarHBondContact O-N 3.15Å; L364-S366 PolarHBondContact O-N 3.38Å
367	L	98.3	Very high	97.7	Very high	57 Å²	57	54.5 Å²	54.5	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-75.3	-39	-176.2	179.6	64.8	0	0	0	113.8	L346 S363 L364 D370 I371	L346-L367 HydrophobicContact CD1-CD2 4.33Å; S363-L367 PolarHBondContact O-N 3.13Å; S363-L367 VanDerWaalsContact O-N 3.14Å; L364-L367 HydrophobicContact CD2-CD2 3.95Å; L364-L367 PolarHBondContact O-N 2.91Å; L364-L367 VanDerWaalsContact O-N 3.12Å; L367-D370 WeakPolarHBondContact O-CB 3.31Å; L367-D370 PolarHBondContact O-N 3.19Å; L367-I371 HydrophobicContact CD1-CG2 3.72Å; L367-I371 HydrophobicContact CG-CG2 4.11Å; L367-I371 PolarHBondContact O-N 3.44Å; L367-I371 VanDerWaalsContact O-N 3.12Å
368	L	98.4	Very high	97.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-42.4	-171.8	-75.4	168.5	0	0	0	113.9	E214 C217 F298 Y343 L346 L364 D370 I371 R372	E214-L368 HydrophobicContact CG-CB 3.74Å; E214-L368 HydrophobicContact CG-CD1 4.38Å; C217-L368 HydrophobicContact CB-CD1 3.42Å; C217-L368 VanDerWaalsContact CB-CD1 3.42Å; F298-L368 HydrophobicContact CZ-CD1 4.36Å; Y343-L368 HydrophobicContact CD1-CD2 4.49Å; Y343-L368 HydrophobicContact CE1-CD2 3.71Å; L346-L368 HydrophobicContact CD2-CD2 3.55Å; L346-L368 HydrophobicContact CD2-CG 4.46Å; L364-L368 VanDerWaalsContact O-CG 3.32Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 3.36Å; L368-D370 VanDerWaalsContact C-N 3.29Å; L368-D370 PolarHBondContact O-N 2.99Å; L368-I371 HydrophobicContact CD2-CD1 4.32Å; L368-I371 PolarHBondContact O-N 2.89Å; L368-R372 PolarHBondContact O-N 3.43Å
369	P	97.2	Very high	97.4	Very high	66 Å²	66	52.4 Å²	52.4	43%	0.429	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-36.2	173	-25.7	36.2	0	0	0	113.3	V365 R372	V365-P369 WeakPolarHBondContact O-CD 3.49Å; P369-R372 WeakPolarHBondContact O-CB 3.5Å; P369-R372 PolarHBondContact O-N 3.11Å
370	D	96.7	Very high	97.2	Very high	134 Å²	134	60 Å²	60	72%	0.717	31%	0.309	S	S	*	.	H	α-helix	trans	-71.9	-32.7	-177.5	-68.2	-18.7	0	0	0	112.5	L367 L368 R372	L367-D370 WeakPolarHBondContact O-CB 3.31Å; L367-D370 PolarHBondContact O-N 3.19Å; L368-D370 VanDerWaalsContact C-N 3.29Å; L368-D370 PolarHBondContact O-N 2.99Å; D370-R372 VanDerWaalsContact C-N 3.33Å
371	I	97	Very high	97	Very high	28 Å²	28	57.1 Å²	57.1	14%	0.144	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	12.7	179.8	68	166.4	0	0	0	113.5	D342 Y343 L346 L367 L368	D342-I371 HydrophobicContact CB-CB 3.91Å; D342-I371 HydrophobicContact CB-CD1 4.42Å; D342-I371 HydrophobicContact CB-CG2 4.38Å; Y343-I371 HydrophobicContact CD2-CD1 4.21Å; Y343-I371 HydrophobicContact CD2-CG1 4.44Å; Y343-I371 HydrophobicContact CE2-CD1 4.25Å; Y343-I371 HydrophobicContact CE2-CG1 4.1Å; L346-I371 HydrophobicContact CB-CD1 4.29Å; L346-I371 HydrophobicContact CD2-CD1 4.03Å; L367-I371 HydrophobicContact CD1-CG2 3.72Å; L367-I371 HydrophobicContact CG-CG2 4.11Å; L367-I371 PolarHBondContact O-N 3.44Å; L367-I371 VanDerWaalsContact O-N 3.12Å; L368-I371 HydrophobicContact CD2-CD1 4.32Å; L368-I371 PolarHBondContact O-N 2.89Å
372	R	96.4	Very high	96.7	Very high	88 Å²	88	58.3 Å²	58.3	33%	0.332	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-61	132.1	178.7	-171.8	177.2	-176.2	91.1	-8.3	110.3	D211 E214 L368 P369 D370 E374	D211-R372 IonicContact OD1-CZ 2.66Å; D211-R372 IonicContact OD1-NH1 2.78Å; D211-R372 PolarHBondContact OD1-NH1 3.35Å; D211-R372 IonicContact OD1-NH2 3.43Å; D211-R372 PolarHBondContact OD1-NH2 2.99Å; E214-R372 IonicContact OE1-NH1 3.65Å; E214-R372 PolarHBondContact OE1-NH1 3.42Å; L368-R372 PolarHBondContact O-N 3.43Å; P369-R372 WeakPolarHBondContact O-CB 3.5Å; P369-R372 PolarHBondContact O-N 3.11Å; D370-R372 VanDerWaalsContact C-N 3.33Å; R372-E374 PolarHBondContact O-N 3.4Å
373	P	96.6	Very high	96.5	Very high	12 Å²	12	62 Å²	62	8%	0.078	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-63.5	136.2	-179	25.9	-35	0	0	0	111.3	P340 T399 V400	P340-P373 HydrophobicContact CB-CB 4.22Å; P340-P373 HydrophobicContact CB-CG 4.46Å; P340-P373 HydrophobicContact CG-CB 4.06Å; P340-P373 HydrophobicContact CG-CG 3.87Å; P373-T399 HydrophobicContact CB-CG2 3.82Å; P373-T399 HydrophobicContact CG-CG2 3.81Å; P373-V400 VanDerWaalsContact CB-O 3.26Å; P373-V400 WeakPolarHBondContact CB-O 3.16Å
374	E	95.5	Very high	96.1	Very high	56 Å²	56	62.3 Å²	62.3	26%	0.262	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.3	141.5	174.1	-176.9	175.7	-178.1	0	0	110.6	R372 V376 V400 K403 S433	R372-E374 PolarHBondContact O-N 3.4Å; E374-V376 HydrophobicContact CG-CG1 4.09Å; E374-V400 HydrophobicContact CB-CB 4.39Å; E374-V400 HydrophobicContact CB-CG2 4.22Å; E374-V400 WeakPolarHBondContact O-CG2 3.26Å; E374-V400 PolarHBondContact O-N 2.98Å; E374-K403 VanDerWaalsContact OE2-CE 3.27Å; E374-K403 WeakPolarHBondContact OE2-CE 3.48Å; E374-K403 IonicContact OE2-NZ 3.56Å; E374-K403 PolarHBondContact OE2-NZ 3.14Å; E374-S433 VanDerWaalsContact OE1-CB 3.29Å; E374-S433 WeakPolarHBondContact OE1-CB 3.47Å; E374-S433 PolarHBondContact OE1-OG 2.78Å
375	Q	97.1	Very high	95.7	Very high	56 Å²	56	65.5 Å²	65.5	26%	0.262	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.2	166.7	-63.5	-164.7	-61.8	0	0	109.4	V207 V397 I398 T399 L434	V207-Q375 HydrophobicContact CG2-CG 4.1Å; V207-Q375 VanDerWaalsContact CG2-NE2 3.3Å; Q375-V397 HydrophobicContact CB-CG1 4.04Å; Q375-V397 HydrophobicContact CG-CG1 4.44Å; Q375-I398 WeakPolarHBondContact CA-O 3.36Å; Q375-T399 PolarHBondContact NE2-OG1 3.11Å; Q375-L434 HydrophobicContact CB-CB 4.29Å; Q375-L434 WeakPolarHBondContact O-CA 3.36Å; Q375-L434 VanDerWaalsContact O-CB 3.24Å; Q375-L434 WeakPolarHBondContact O-CB 3.33Å; Q375-L434 PolarHBondContact O-N 3.38Å
376	V	97.1	Very high	95.3	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.7	177.3	-56.4	0	0	0	0	109.5	E374 V397 I398 V400 F426 T431 I432	E374-V376 HydrophobicContact CG-CG1 4.09Å; V376-V397 CarbonylContact O-C 3.54Å; V376-V397 WeakPolarHBondContact O-CA 3.22Å; V376-I398 HydrophobicContact CG2-CB 3.85Å; V376-I398 HydrophobicContact CG2-CG2 4.46Å; V376-I398 PolarHBondContact N-O 2.91Å; V376-I398 PolarHBondContact O-N 3.48Å; V376-V400 HydrophobicContact CG1-CG2 3.92Å; V376-V400 HydrophobicContact CG2-CG2 4.26Å; V376-F426 HydrophobicContact CG2-CE2 4.04Å; V376-F426 HydrophobicContact CG2-CZ 4.2Å; V376-T431 HydrophobicContact CG2-CG2 3.83Å; V376-I432 CarbonylContact C-O 3.57Å; V376-I432 VanDerWaalsContact CA-O 3.24Å; V376-I432 WeakPolarHBondContact CA-O 3.35Å; V376-I432 WeakPolarHBondContact CB-O 3.43Å
377	R	97.1	Very high	95	Very high	89 Å²	89	69.6 Å²	69.6	34%	0.336	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.7	173.6	177.9	-176.8	-58.3	-95.5	-2.5	109.7	V379 D395 T431 I432 L434	R377-V379 PolarHBondContact O-N 2.8Å; R377-D395 PolarHBondContact NH1-O 3.23Å; R377-T431 CarbonylContact O-C 3.54Å; R377-T431 VanDerWaalsContact O-CA 3.24Å; R377-T431 WeakPolarHBondContact O-CA 3.48Å; R377-I432 HydrophobicContact CB-CG1 4.1Å; R377-I432 PolarHBondContact N-O 3.46Å; R377-I432 PolarHBondContact O-N 2.85Å; R377-L434 HydrophobicContact CB-CD1 3.54Å
378	A	96.6	Very high	94.6	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.7	173.7	0	0	0	0	0	111.1	Y392 D395 M396 I398	A378-Y392 HydrophobicContact CB-CD2 3.43Å; A378-Y392 VanDerWaalsContact CB-CD2 3.43Å; A378-Y392 HydrophobicContact CB-CE2 3.62Å; A378-D395 WeakPolarHBondContact O-CA 3.4Å; A378-D395 PolarHBondContact O-N 3.49Å; A378-M396 PolarHBondContact N-O 3.39Å; A378-I398 HydrophobicContact CB-CD1 4.49Å
379	V	95.8	Very high	94.5	Very high	79 Å²	79	70.7 Å²	70.7	48%	0.479	38%	0.378	S	S	.	.	S	Bend	trans	-87.7	-25.8	174.4	-175.4	0	0	0	0	110.9	R377 T430 I432	R377-V379 PolarHBondContact O-N 2.8Å; V379-T430 PolarHBondContact N-O 2.79Å; V379-I432 HydrophobicContact CG2-CB 4.3Å; V379-I432 HydrophobicContact CG2-CD1 4.44Å; V379-I432 HydrophobicContact CG2-CG1 3.97Å; V379-I432 HydrophobicContact CG2-CG2 3.66Å
380	R	92.8	Very high	94.4	Very high	182 Å²	182	67.5 Å²	67.5	69%	0.687	36%	0.358	S	S	*	.	S	Bend	trans	-132.2	154.9	-178.5	-57.8	-178.4	-176	179.6	2	109.6	Y392	R380-Y392 VanDerWaalsContact O-CE2 3.25Å; R380-Y392 WeakPolarHBondContact O-CE2 3.32Å
381	S	95.1	Very high	94.4	Very high	72 Å²	72	62.3 Å²	62.3	50%	0.503	33%	0.329	S	S	.	.			trans	-78.6	147.5	171.4	-55.6	0	0	0	0	110.9	Y392 K393 A394	S381-Y392 CarbonylContact C-O 3.52Å; S381-Y392 VanDerWaalsContact CA-O 3.28Å; S381-Y392 WeakPolarHBondContact CA-O 3.34Å; S381-K393 WeakPolarHBondContact OG-CA 3.49Å; S381-A394 PolarHBondContact OG-N 2.94Å
382	C	92.7	Very high	94.3	Very high	24 Å²	24	61.2 Å²	61.2	16%	0.162	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-124.3	111.6	170.8	-178.9	0	0	0	0	108	Q391 Y392	C382-Q391 WeakPolarHBondContact O-CA 3.37Å; C382-Q391 PolarHBondContact O-OE1 3.29Å; C382-Y392 HydrophobicContact CB-CD1 4.12Å; C382-Y392 HydrophobicContact CB-CD2 4.36Å; C382-Y392 HydrophobicContact CB-CE1 3.59Å; C382-Y392 HydrophobicContact CB-CE2 3.89Å; C382-Y392 HydrophobicContact CB-CG 4.46Å; C382-Y392 VanDerWaalsContact CB-CZ 3.44Å; C382-Y392 PolarHBondContact N-O 2.84Å; C382-Y392 PolarHBondContact O-N 3.46Å
383	E	92.1	Very high	94.3	Very high	142 Å²	142	63.3 Å²	63.3	66%	0.664	34%	0.335	S	S	*	.			trans	-136.5	46.6	-178.2	-66.6	-173.9	177.7	0	0	109.9	G385	E383-G385 VanDerWaalsContact C-N 3.32Å
384	D	91.7	Very high	94.2	Very high	76 Å²	76	64.5 Å²	64.5	41%	0.406	35%	0.346	S	S	.	.			trans	-81.8	-7.8	-174.4	62.2	14.2	0	0	0	114.3	Q386 H389 Q391	D384-Q386 PolarHBondContact O-N 2.93Å; D384-Q386 PolarHBondContact OD1-N 3.23Å; D384-H389 IonicContact OD1-ND1 2.79Å; D384-H389 IonicContact OD2-CE1 2.69Å; D384-H389 IonicContact OD2-CG 3.78Å; D384-H389 IonicContact OD2-ND1 3.7Å; D384-H389 PolarHBondContact OD2-ND1 3.46Å; D384-Q391 VanDerWaalsContact N-OE1 3.1Å; D384-Q391 PolarHBondContact OD1-NE2 2.86Å
385	G	89.2	Confident	94.2	Very high	69 Å²	69	67 Å²	67	71%	0.711	36%	0.361	S	S	*	.			trans	73.9	3.7	178.7	0	0	0	0	0	115	E383	E383-G385 VanDerWaalsContact C-N 3.32Å
386	Q	91	Very high	94.2	Very high	106 Å²	106	67.4 Å²	67.4	50%	0.495	36%	0.364	S	S	.	.			trans	-68.7	138.5	174.3	-63.7	-64.2	-18.9	0	0	110.2	D384 H389 Q391	D384-Q386 PolarHBondContact O-N 2.93Å; D384-Q386 PolarHBondContact OD1-N 3.23Å; Q386-H389 HydrophobicContact CB-CB 3.86Å; Q386-Q391 PolarHBondContact O-NE2 3.37Å
387	S	89.6	Confident	94.1	Very high	122 Å²	122	68.9 Å²	68.9	85%	0.853	37%	0.373	S	S	*	.	S	Bend	trans	-76.4	-30.9	-170	57.4	0	0	0	0	113.4
388	D	91.9	Very high	94.2	Very high	58 Å²	58	64.7 Å²	64.7	31%	0.31	36%	0.357	S	S	.	.	S	Bend	trans	-86.4	-18.4	176.4	61.9	-23.8	0	0	0	112.8	Y408 G424 L425	D388-Y408 PolarHBondContact OD2-OH 2.94Å; D388-G424 CarbonylContact O-C 3.6Å; D388-G424 WeakPolarHBondContact O-CA 3.27Å; D388-L425 HydrophobicContact CB-CD1 4.19Å; D388-L425 PolarHBondContact O-N 2.88Å
389	H	94.2	Very high	94.2	Very high	23 Å²	23	64.8 Å²	64.8	11%	0.106	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-78.1	139.4	176.6	-68.2	-166.4	0	0	0	112.3	D384 Q386 Q391 Y413 L425	D384-H389 IonicContact OD1-ND1 2.79Å; D384-H389 IonicContact OD2-CE1 2.69Å; D384-H389 IonicContact OD2-CG 3.78Å; D384-H389 IonicContact OD2-ND1 3.7Å; D384-H389 PolarHBondContact OD2-ND1 3.46Å; Q386-H389 HydrophobicContact CB-CB 3.86Å; H389-Q391 PolarHBondContact O-N 2.91Å; H389-Q391 PolarHBondContact O-NE2 3.46Å; H389-Y413 AromaticContact CE1-CE1 3.86Å; H389-Y413 AromaticContact NE2-CE1 3.77Å; H389-Y413 AromaticContact NE2-CZ 3.9Å; H389-L425 CarbonylContact C-O 3.57Å; H389-L425 WeakPolarHBondContact CA-O 3.49Å
390	L	95.8	Very high	94.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-74.1	117.7	171.5	-174	61	0	0	0	108.6	Y392 I398 L418 R422 L425 F426	L390-Y392 HydrophobicContact CB-CD1 4.19Å; L390-Y392 HydrophobicContact CB-CE1 4.47Å; L390-Y392 HydrophobicContact CD2-CD1 4.23Å; L390-Y392 HydrophobicContact CG-CD1 3.94Å; L390-Y392 WeakPolarHBondContact O-CD1 3.44Å; L390-Y392 WeakPolarHBondContact O-CE1 3.29Å; L390-I398 HydrophobicContact CD2-CD1 4.24Å; L390-I398 HydrophobicContact CD2-CG1 4.19Å; L390-I398 HydrophobicContact CD2-CG2 3.91Å; L390-L418 HydrophobicContact CD1-CD1 4.09Å; L390-L418 HydrophobicContact CD1-CG 4.07Å; L390-L418 HydrophobicContact CD2-CD2 4.44Å; L390-L418 HydrophobicContact CD2-CG 4.17Å; L390-L418 HydrophobicContact CG-CD1 4.47Å; L390-L418 HydrophobicContact CG-CG 4.36Å; L390-R422 HydrophobicContact CD1-CB 4.28Å; L390-R422 HydrophobicContact CD1-CG 3.94Å; L390-R422 VanDerWaalsContact CD1-O 3.28Å; L390-R422 WeakPolarHBondContact CD1-O 3.43Å; L390-L425 PolarHBondContact N-O 3.27Å; L390-F426 HydrophobicContact CB-CB 4.45Å
391	Q	96.3	Very high	94.5	Very high	25 Å²	25	53 Å²	53	12%	0.117	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-88.7	123	175.5	-49.1	-62.5	-36.3	0	0	108.9	C382 D384 Q386 H389	C382-Q391 WeakPolarHBondContact O-CA 3.37Å; C382-Q391 PolarHBondContact O-OE1 3.29Å; D384-Q391 VanDerWaalsContact N-OE1 3.1Å; D384-Q391 PolarHBondContact OD1-NE2 2.86Å; Q386-Q391 PolarHBondContact O-NE2 3.37Å; H389-Q391 PolarHBondContact O-N 2.91Å; H389-Q391 PolarHBondContact O-NE2 3.46Å
392	Y	96	Very high	94.5	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.02	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-149.3	155	-175.6	55.2	-92.2	0	0	0	112	A378 R380 S381 C382 L390 I398 F426 T430	A378-Y392 HydrophobicContact CB-CD2 3.43Å; A378-Y392 VanDerWaalsContact CB-CD2 3.43Å; A378-Y392 HydrophobicContact CB-CE2 3.62Å; R380-Y392 VanDerWaalsContact O-CE2 3.25Å; R380-Y392 WeakPolarHBondContact O-CE2 3.32Å; S381-Y392 CarbonylContact C-O 3.52Å; S381-Y392 VanDerWaalsContact CA-O 3.28Å; S381-Y392 WeakPolarHBondContact CA-O 3.34Å; C382-Y392 HydrophobicContact CB-CD1 4.12Å; C382-Y392 HydrophobicContact CB-CD2 4.36Å; C382-Y392 HydrophobicContact CB-CE1 3.59Å; C382-Y392 HydrophobicContact CB-CE2 3.89Å; C382-Y392 HydrophobicContact CB-CG 4.46Å; C382-Y392 VanDerWaalsContact CB-CZ 3.44Å; C382-Y392 PolarHBondContact N-O 2.84Å; C382-Y392 PolarHBondContact O-N 3.46Å; L390-Y392 HydrophobicContact CB-CD1 4.19Å; L390-Y392 HydrophobicContact CB-CE1 4.47Å; L390-Y392 HydrophobicContact CD2-CD1 4.23Å; L390-Y392 HydrophobicContact CG-CD1 3.94Å; L390-Y392 WeakPolarHBondContact O-CD1 3.44Å; L390-Y392 WeakPolarHBondContact O-CE1 3.29Å; Y392-I398 HydrophobicContact CD1-CD1 3.91Å; Y392-I398 HydrophobicContact CD2-CD1 4.2Å; Y392-I398 HydrophobicContact CE1-CD1 4.07Å; Y392-I398 HydrophobicContact CE2-CD1 4.31Å; Y392-I398 HydrophobicContact CG-CD1 4.01Å; Y392-F426 HydrophobicContact CE1-CB 3.72Å; Y392-T430 PolarHBondContact OH-OG1 3.35Å
393	K	96.1	Very high	94.6	Very high	131 Å²	131	54.6 Å²	54.6	57%	0.57	30%	0.303	S	S	*	.			trans	-92.9	158.3	172.8	-62.6	-175	177.8	-174.5	0	110.4	S381 M396	S381-K393 WeakPolarHBondContact OG-CA 3.49Å; K393-M396 HydrophobicContact CB-CG 4.14Å; K393-M396 HydrophobicContact CB-SD 4.01Å; K393-M396 HydrophobicContact CG-SD 4.48Å; K393-M396 PolarHBondContact N-SD 3.38Å; K393-M396 WeakPolarHBondContact O-CB 3.41Å; K393-M396 VanDerWaalsContact O-CG 3.32Å; K393-M396 WeakPolarHBondContact O-CG 3.42Å; K393-M396 PolarHBondContact O-N 3.01Å
394	A	95.6	Very high	94.6	Very high	38 Å²	38	57 Å²	57	31%	0.314	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	149.8	165.9	0	0	0	0	0	111.1	S381 M396	S381-A394 PolarHBondContact OG-N 2.94Å; A394-M396 PolarHBondContact O-N 3.22Å; A394-M396 VanDerWaalsContact O-N 3.13Å
395	D	94.9	Very high	94.5	Very high	109 Å²	109	53.4 Å²	53.4	58%	0.583	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-3	-175.5	-63.3	-53.1	0	0	0	117.1	R377 A378	R377-D395 PolarHBondContact NH1-O 3.23Å; A378-D395 WeakPolarHBondContact O-CA 3.4Å; A378-D395 PolarHBondContact O-N 3.49Å
396	M	96	Very high	94.3	Very high	63 Å²	63	61.1 Å²	61.1	31%	0.31	29%	0.294	S	S	.	.			trans	-67.8	141.4	172.5	-66.1	-169.6	80	0	0	111.3	A378 K393 A394 L418	A378-M396 PolarHBondContact N-O 3.39Å; K393-M396 HydrophobicContact CB-CG 4.14Å; K393-M396 HydrophobicContact CB-SD 4.01Å; K393-M396 HydrophobicContact CG-SD 4.48Å; K393-M396 PolarHBondContact N-SD 3.38Å; K393-M396 WeakPolarHBondContact O-CB 3.41Å; K393-M396 VanDerWaalsContact O-CG 3.32Å; K393-M396 WeakPolarHBondContact O-CG 3.42Å; K393-M396 PolarHBondContact O-N 3.01Å; A394-M396 PolarHBondContact O-N 3.22Å; A394-M396 VanDerWaalsContact O-N 3.13Å; M396-L418 HydrophobicContact CB-CD2 4.14Å; M396-L418 HydrophobicContact CE-CD1 3.84Å; M396-L418 HydrophobicContact CE-CD2 4Å; M396-L418 HydrophobicContact CE-CG 4.37Å; M396-L418 HydrophobicContact SD-CD1 4.39Å; M396-L418 HydrophobicContact SD-CD2 4.46Å
397	V	96.4	Very high	93.9	Very high	34 Å²	34	62.4 Å²	62.4	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.2	174.4	179.7	0	0	0	0	109.5	Q375 V376 L434	Q375-V397 HydrophobicContact CB-CG1 4.04Å; Q375-V397 HydrophobicContact CG-CG1 4.44Å; V376-V397 CarbonylContact O-C 3.54Å; V376-V397 WeakPolarHBondContact O-CA 3.22Å; V397-L434 HydrophobicContact CG2-CD2 4.36Å
398	I	97.7	Very high	93.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.5	176.2	-57.9	165.6	0	0	0	107.5	Q375 V376 A378 L390 Y392 L418 F426 T431	Q375-I398 WeakPolarHBondContact CA-O 3.36Å; V376-I398 HydrophobicContact CG2-CB 3.85Å; V376-I398 HydrophobicContact CG2-CG2 4.46Å; V376-I398 PolarHBondContact N-O 2.91Å; V376-I398 PolarHBondContact O-N 3.48Å; A378-I398 HydrophobicContact CB-CD1 4.49Å; L390-I398 HydrophobicContact CD2-CD1 4.24Å; L390-I398 HydrophobicContact CD2-CG1 4.19Å; L390-I398 HydrophobicContact CD2-CG2 3.91Å; Y392-I398 HydrophobicContact CD1-CD1 3.91Å; Y392-I398 HydrophobicContact CD2-CD1 4.2Å; Y392-I398 HydrophobicContact CE1-CD1 4.07Å; Y392-I398 HydrophobicContact CE2-CD1 4.31Å; Y392-I398 HydrophobicContact CG-CD1 4.01Å; I398-L418 HydrophobicContact CG1-CD2 3.69Å; I398-F426 HydrophobicContact CD1-CD2 4.22Å; I398-F426 HydrophobicContact CD1-CG 4.34Å; I398-F426 HydrophobicContact CG2-CD1 4.13Å; I398-F426 HydrophobicContact CG2-CE1 3.84Å; I398-F426 HydrophobicContact CG2-CZ 4.09Å; I398-T431 HydrophobicContact CD1-CG2 4.1Å
399	T	97.7	Very high	93.1	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.1	170.5	-56.3	0	0	0	0	108.6	V206 V207 P373 Q375 L401 G416 V417	V206-T399 HydrophobicContact CB-CG2 4.44Å; V206-T399 HydrophobicContact CG1-CG2 4.14Å; V207-T399 HydrophobicContact CG2-CG2 3.77Å; P373-T399 HydrophobicContact CB-CG2 3.82Å; P373-T399 HydrophobicContact CG-CG2 3.81Å; Q375-T399 PolarHBondContact NE2-OG1 3.11Å; T399-L401 PolarHBondContact O-N 3.45Å; T399-G416 CarbonylContact O-C 3.59Å; T399-G416 VanDerWaalsContact O-CA 3.22Å; T399-G416 WeakPolarHBondContact O-CA 3.4Å; T399-V417 PolarHBondContact N-O 3.42Å; T399-V417 PolarHBondContact O-N 3.4Å
400	V	97.4	Very high	92.7	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119.7	-176.1	-173.8	0	0	0	0	109.8	P373 E374 V376 K403 W414 F426	P373-V400 VanDerWaalsContact CB-O 3.26Å; P373-V400 WeakPolarHBondContact CB-O 3.16Å; E374-V400 HydrophobicContact CB-CB 4.39Å; E374-V400 HydrophobicContact CB-CG2 4.22Å; E374-V400 WeakPolarHBondContact O-CG2 3.26Å; E374-V400 PolarHBondContact O-N 2.98Å; V376-V400 HydrophobicContact CG1-CG2 3.92Å; V376-V400 HydrophobicContact CG2-CG2 4.26Å; V400-K403 HydrophobicContact CG1-CG 3.82Å; V400-W414 HydrophobicContact CG1-CD2 4.47Å; V400-W414 HydrophobicContact CG1-CE3 3.78Å; V400-W414 HydrophobicContact CG1-CZ3 4.39Å; V400-W414 HydrophobicContact CG2-CE3 4.08Å; V400-W414 HydrophobicContact CG2-CZ3 4.29Å; V400-F426 HydrophobicContact CG2-CZ 4.08Å
401	L	97.5	Very high	92.1	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-36.8	-179.9	-61.5	-177.9	0	0	0	112.7	V206 L338 P340 S341 T399 K415 V417 A423	V206-L401 HydrophobicContact CG1-CD2 4.04Å; V206-L401 HydrophobicContact CG2-CD2 4.5Å; L338-L401 HydrophobicContact CD2-CD1 4.48Å; L338-L401 WeakPolarHBondContact O-CD2 3.21Å; P340-L401 WeakPolarHBondContact CA-O 3.49Å; P340-L401 HydrophobicContact CG-CD2 4.02Å; S341-L401 PolarHBondContact N-O 2.87Å; S341-L401 PolarHBondContact OG-O 3.5Å; T399-L401 PolarHBondContact O-N 3.45Å; L401-K415 WeakPolarHBondContact CA-O 3.41Å; L401-K415 WeakPolarHBondContact CB-O 3.24Å; L401-K415 PolarHBondContact N-O 3.42Å; L401-V417 HydrophobicContact CD1-CB 3.97Å; L401-V417 HydrophobicContact CD1-CG1 4.04Å; L401-V417 HydrophobicContact CD2-CG1 3.83Å; L401-V417 HydrophobicContact CG-CB 4.33Å; L401-V417 HydrophobicContact CG-CG1 3.95Å; L401-A423 HydrophobicContact CD1-CB 4.5Å
402	N	95.7	Very high	91.8	Very high	38 Å²	38	71.8 Å²	71.8	20%	0.203	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	122.6	178.2	-170.8	-3.5	0	0	0	110.9	S341 R404 P405 W414 K415	S341-N402 WeakPolarHBondContact OG-CB 3.36Å; S341-N402 VanDerWaalsContact OG-CG 3.27Å; S341-N402 PolarHBondContact OG-ND2 3.12Å; N402-R404 VanDerWaalsContact C-N 3.31Å; N402-R404 PolarHBondContact ND2-O 3.47Å; N402-R404 VanDerWaalsContact OD1-C 3.26Å; N402-R404 PolarHBondContact OD1-N 2.92Å; N402-R404 PolarHBondContact OD1-O 3.28Å; N402-P405 WeakPolarHBondContact ND2-CA 3.41Å; N402-W414 CarbonylContact O-C 3.55Å; N402-W414 WeakPolarHBondContact O-CA 3.45Å; N402-K415 HydrophobicContact CB-CB 4.21Å; N402-K415 PolarHBondContact N-O 2.94Å; N402-K415 VanDerWaalsContact N-O 3.11Å; N402-K415 PolarHBondContact O-N 3.35Å
403	K	93.7	Very high	91.7	Very high	93 Å²	93	73.7 Å²	73.7	40%	0.404	35%	0.348	S	S	.	.	S	Bend	trans	-79.4	-11.6	176.6	-62.7	-176.2	175.6	-176.3	0	113.7	E374 V400 W414	E374-K403 VanDerWaalsContact OE2-CE 3.27Å; E374-K403 WeakPolarHBondContact OE2-CE 3.48Å; E374-K403 IonicContact OE2-NZ 3.56Å; E374-K403 PolarHBondContact OE2-NZ 3.14Å; V400-K403 HydrophobicContact CG1-CG 3.82Å; K403-W414 HydrophobicContact CB-CD2 4.15Å; K403-W414 HydrophobicContact CB-CG 4.35Å; K403-W414 HydrophobicContact CB-CZ2 4.39Å; K403-W414 HydrophobicContact CD-CH2 3.98Å; K403-W414 HydrophobicContact CD-CZ2 4.02Å; K403-W414 HydrophobicContact CD-CZ3 4.25Å; K403-W414 HydrophobicContact CG-CD2 3.89Å; K403-W414 HydrophobicContact CG-CE3 4.02Å; K403-W414 HydrophobicContact CG-CG 4.47Å; K403-W414 HydrophobicContact CG-CH2 4.26Å; K403-W414 HydrophobicContact CG-CZ2 4.12Å; K403-W414 HydrophobicContact CG-CZ3 4.21Å; K403-W414 PolarHBondContact O-NE1 2.96Å
404	R	91.9	Very high	91.6	Very high	192 Å²	192	69.8 Å²	69.8	73%	0.725	33%	0.329	S	S	*	.	S	Bend	trans	-142.1	74.1	177.9	-64.8	-175.5	-175.9	143.4	0.4	109.7	N402	N402-R404 VanDerWaalsContact C-N 3.31Å; N402-R404 PolarHBondContact ND2-O 3.47Å; N402-R404 VanDerWaalsContact OD1-C 3.26Å; N402-R404 PolarHBondContact OD1-N 2.92Å; N402-R404 PolarHBondContact OD1-O 3.28Å
405	P	89.4	Confident	91.7	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.006	33%	0.325	C	S	.	.			trans	-57.1	146.5	173.1	25.2	-31.3	0	0	0	110.6	N402 E407 Y408 Y413 L425	N402-P405 WeakPolarHBondContact ND2-CA 3.41Å; P405-E407 WeakPolarHBondContact CB-OE2 3.49Å; P405-E407 PolarHBondContact O-N 3.48Å; P405-Y408 CarbonylContact O-C 3.21Å; P405-Y408 PolarHBondContact O-N 3.19Å; P405-Y408 VanDerWaalsContact O-O 3.14Å; P405-Y413 WeakPolarHBondContact CD-O 3.32Å; P405-Y413 WeakPolarHBondContact CG-O 3.5Å; P405-L425 HydrophobicContact CB-CD2 4.13Å; P405-L425 HydrophobicContact CG-CD2 3.79Å
406	R	85.6	Confident	91.8	Very high	230 Å²	230	65.3 Å²	65.3	87%	0.868	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.8	-176.2	-73.6	-176.5	176.8	175.6	-1.1	111.7	Y408	R406-Y408 VanDerWaalsContact C-N 3.3Å
407	E	83.5	Confident	91.9	Very high	133 Å²	133	62.5 Å²	62.5	62%	0.621	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-30.8	178.4	-56.6	79	-173.9	0	0	111.5	P405	P405-E407 WeakPolarHBondContact CB-OE2 3.49Å; P405-E407 PolarHBondContact O-N 3.48Å
408	Y	84.8	Confident	91.9	Very high	75 Å²	75	61.2 Å²	61.2	29%	0.294	28%	0.276	S	S	.	.			trans	-134.8	78.6	179.5	-62.7	-89.1	0	0	0	110.2	D388 P405 R406 D410 Y413 L425	D388-Y408 PolarHBondContact OD2-OH 2.94Å; P405-Y408 CarbonylContact O-C 3.21Å; P405-Y408 PolarHBondContact O-N 3.19Å; P405-Y408 VanDerWaalsContact O-O 3.14Å; R406-Y408 VanDerWaalsContact C-N 3.3Å; Y408-D410 PolarHBondContact O-N 2.91Å; Y408-Y413 AromaticContact CD1-CD2 3.87Å; Y408-Y413 HydrophobicContact CD1-CD2 3.87Å; Y408-Y413 HydrophobicContact CD1-CE2 4.33Å; Y408-Y413 HydrophobicContact CE1-CD2 4.33Å; Y408-Y413 HydrophobicContact CE1-CE2 4.43Å; Y408-Y413 HydrophobicContact CG-CD2 4.06Å; Y408-L425 HydrophobicContact CD2-CD1 3.42Å; Y408-L425 VanDerWaalsContact CD2-CD1 3.42Å; Y408-L425 HydrophobicContact CD2-CD2 4.34Å; Y408-L425 HydrophobicContact CE2-CD1 3.12Å
409	P	80.1	Confident	91.6	Very high	102 Å²	102	64.8 Å²	64.8	66%	0.662	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.6	-172.1	31.2	-36.1	0	0	0	114.1	G411	P409-G411 PolarHBondContact O-N 3.46Å
410	D	84.2	Confident	91.3	Very high	114 Å²	114	68.8 Å²	68.8	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.2	176	60.4	3.8	0	0	0	113	Y408 Y412	Y408-D410 PolarHBondContact O-N 2.91Å; D410-Y412 VanDerWaalsContact C-N 3.26Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.35Å; D410-Y412 PolarHBondContact OD1-N 3.46Å
411	G	82.9	Confident	91	Very high	21 Å²	21	69.2 Å²	69.2	22%	0.216	33%	0.325	C	S	.	.	S	Bend	trans	79.4	8.7	-177.4	0	0	0	0	0	113.6	P409	P409-G411 PolarHBondContact O-N 3.46Å
412	Y	90	Very high	90.8	Very high	114 Å²	114	75.3 Å²	75.3	45%	0.447	35%	0.348	S	S	.	.	S	Bend	trans	-72.1	-34.8	178.5	-165.3	-107.2	0	0	0	111.3	D410 L427 P428	D410-Y412 VanDerWaalsContact C-N 3.26Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.35Å; D410-Y412 PolarHBondContact OD1-N 3.46Å; Y412-L427 HydrophobicContact CD1-CD2 3.51Å; Y412-L427 HydrophobicContact CE1-CD2 3.26Å; Y412-L427 HydrophobicContact CG-CD2 4.36Å; Y412-P428 WeakPolarHBondContact O-CD 3.29Å
413	Y	93.9	Very high	90.8	Very high	45 Å²	45	75.2 Å²	75.2	18%	0.176	35%	0.353	C	S	.	.			trans	-108	137.3	173.9	-68.8	-80.5	0	0	0	111.8	H389 P405 Y408 L425 L427	H389-Y413 AromaticContact CE1-CE1 3.86Å; H389-Y413 AromaticContact NE2-CE1 3.77Å; H389-Y413 AromaticContact NE2-CZ 3.9Å; P405-Y413 WeakPolarHBondContact CD-O 3.32Å; P405-Y413 WeakPolarHBondContact CG-O 3.5Å; Y408-Y413 AromaticContact CD1-CD2 3.87Å; Y408-Y413 HydrophobicContact CD1-CD2 3.87Å; Y408-Y413 HydrophobicContact CD1-CE2 4.33Å; Y408-Y413 HydrophobicContact CE1-CD2 4.33Å; Y408-Y413 HydrophobicContact CE1-CE2 4.43Å; Y408-Y413 HydrophobicContact CG-CD2 4.06Å; Y413-L425 HydrophobicContact CD1-CB 4.22Å; Y413-L427 HydrophobicContact CD1-CD2 3.75Å; Y413-L427 HydrophobicContact CD1-CG 4.24Å; Y413-L427 HydrophobicContact CE1-CD2 3.43Å; Y413-L427 VanDerWaalsContact CE1-CD2 3.43Å; Y413-L427 HydrophobicContact CE1-CG 3.85Å; Y413-L427 HydrophobicContact CG-CD2 4.42Å
414	W	95.8	Very high	90.9	Very high	48 Å²	48	71.2 Å²	71.2	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.9	167.2	-68.2	8.3	0	0	0	109.3	V400 N402 K403 L425 F426 P428	V400-W414 HydrophobicContact CG1-CD2 4.47Å; V400-W414 HydrophobicContact CG1-CE3 3.78Å; V400-W414 HydrophobicContact CG1-CZ3 4.39Å; V400-W414 HydrophobicContact CG2-CE3 4.08Å; V400-W414 HydrophobicContact CG2-CZ3 4.29Å; N402-W414 CarbonylContact O-C 3.55Å; N402-W414 WeakPolarHBondContact O-CA 3.45Å; K403-W414 HydrophobicContact CB-CD2 4.15Å; K403-W414 HydrophobicContact CB-CG 4.35Å; K403-W414 HydrophobicContact CB-CZ2 4.39Å; K403-W414 HydrophobicContact CD-CH2 3.98Å; K403-W414 HydrophobicContact CD-CZ2 4.02Å; K403-W414 HydrophobicContact CD-CZ3 4.25Å; K403-W414 HydrophobicContact CG-CD2 3.89Å; K403-W414 HydrophobicContact CG-CE3 4.02Å; K403-W414 HydrophobicContact CG-CG 4.47Å; K403-W414 HydrophobicContact CG-CH2 4.26Å; K403-W414 HydrophobicContact CG-CZ2 4.12Å; K403-W414 HydrophobicContact CG-CZ3 4.21Å; K403-W414 PolarHBondContact O-NE1 2.96Å; W414-L425 CarbonylContact O-C 3.49Å; W414-L425 VanDerWaalsContact O-CA 3.29Å; W414-L425 WeakPolarHBondContact O-CA 3.45Å; W414-F426 HydrophobicContact CB-CD1 4.24Å; W414-F426 HydrophobicContact CB-CE1 3.64Å; W414-F426 HydrophobicContact CB-CE2 4.34Å; W414-F426 HydrophobicContact CB-CZ 3.71Å; W414-F426 HydrophobicContact CE3-CE2 4.4Å; W414-F426 AromaticContact CE3-CZ 3.96Å; W414-F426 HydrophobicContact CE3-CZ 3.96Å; W414-F426 PolarHBondContact N-O 2.98Å; W414-F426 VanDerWaalsContact O-CD1 3.24Å; W414-F426 WeakPolarHBondContact O-CD1 3.39Å; W414-F426 PolarHBondContact O-N 3.43Å; W414-P428 HydrophobicContact CD2-CB 3.7Å; W414-P428 HydrophobicContact CD2-CG 4.11Å; W414-P428 HydrophobicContact CE3-CB 3.95Å; W414-P428 HydrophobicContact CG-CB 4.21Å; W414-P428 HydrophobicContact CG-CG 4.21Å; W414-P428 HydrophobicContact CH2-CB 4.07Å; W414-P428 HydrophobicContact CZ2-CB 3.82Å; W414-P428 HydrophobicContact CZ2-CG 4.28Å; W414-P428 HydrophobicContact CZ3-CB 4.13Å
415	K	96.8	Very high	91.1	Very high	53 Å²	53	62.7 Å²	62.7	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.4	170	-168.9	173.3	-176.6	175.5	0	109	L401 N402 G424 L425	L401-K415 WeakPolarHBondContact CA-O 3.41Å; L401-K415 WeakPolarHBondContact CB-O 3.24Å; L401-K415 PolarHBondContact N-O 3.42Å; N402-K415 HydrophobicContact CB-CB 4.21Å; N402-K415 PolarHBondContact N-O 2.94Å; N402-K415 VanDerWaalsContact N-O 3.11Å; N402-K415 PolarHBondContact O-N 3.35Å; K415-G424 WeakPolarHBondContact CA-O 3.26Å; K415-L425 HydrophobicContact CB-CD2 4.26Å
416	G	97.2	Very high	91.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	171.8	-179.3	0	0	0	0	0	112.7	T399 A423 G424	T399-G416 CarbonylContact O-C 3.59Å; T399-G416 VanDerWaalsContact O-CA 3.22Å; T399-G416 WeakPolarHBondContact O-CA 3.4Å; G416-A423 WeakPolarHBondContact O-CA 3.46Å; G416-A423 WeakPolarHBondContact O-CB 3.42Å; G416-G424 PolarHBondContact N-O 3.29Å; G416-G424 PolarHBondContact O-N 3.35Å
417	V	97.3	Very high	91.8	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.3	178.3	64	0	0	0	0	111.1	V206 L338 T399 L401 R422 A423	V206-V417 HydrophobicContact CB-CG1 4.25Å; V206-V417 HydrophobicContact CG2-CG1 3.81Å; L338-V417 HydrophobicContact CD2-CB 4.44Å; L338-V417 HydrophobicContact CD2-CG2 3.88Å; T399-V417 PolarHBondContact N-O 3.42Å; T399-V417 PolarHBondContact O-N 3.4Å; L401-V417 HydrophobicContact CD1-CB 3.97Å; L401-V417 HydrophobicContact CD1-CG1 4.04Å; L401-V417 HydrophobicContact CD2-CG1 3.83Å; L401-V417 HydrophobicContact CG-CB 4.33Å; L401-V417 HydrophobicContact CG-CG1 3.95Å; V417-R422 WeakPolarHBondContact CA-O 3.29Å; V417-R422 WeakPolarHBondContact CG2-O 3.29Å; V417-A423 HydrophobicContact CB-CB 4.02Å; V417-A423 HydrophobicContact CG2-CB 4.06Å
418	L	96.2	Very high	92.3	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	161.4	172.1	-63.3	172.6	0	0	0	110.8	L390 M396 I398 T420 G421 R422	L390-L418 HydrophobicContact CD1-CD1 4.09Å; L390-L418 HydrophobicContact CD1-CG 4.07Å; L390-L418 HydrophobicContact CD2-CD2 4.44Å; L390-L418 HydrophobicContact CD2-CG 4.17Å; L390-L418 HydrophobicContact CG-CD1 4.47Å; L390-L418 HydrophobicContact CG-CG 4.36Å; M396-L418 HydrophobicContact CB-CD2 4.14Å; M396-L418 HydrophobicContact CE-CD1 3.84Å; M396-L418 HydrophobicContact CE-CD2 4Å; M396-L418 HydrophobicContact CE-CG 4.37Å; M396-L418 HydrophobicContact SD-CD1 4.39Å; M396-L418 HydrophobicContact SD-CD2 4.46Å; I398-L418 HydrophobicContact CG1-CD2 3.69Å; L418-T420 WeakPolarHBondContact CB-OG1 3.43Å; L418-T420 PolarHBondContact O-N 3.28Å; L418-G421 PolarHBondContact O-N 3.47Å; L418-R422 PolarHBondContact N-O 2.93Å
419	N	92.4	Very high	92.6	Very high	75 Å²	75	52.6 Å²	52.6	40%	0.401	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.1	173.8	-69	-7.7	0	0	0	113.4	T205 G421	T205-N419 HydrophobicContact CG2-CB 3.96Å; N419-G421 PolarHBondContact O-N 3.02Å
420	T	90.5	Very high	93.2	Very high	86 Å²	86	49 Å²	49	53%	0.528	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.4	172.5	59.4	0	0	0	0	113.4	L418 R422	L418-T420 WeakPolarHBondContact CB-OG1 3.43Å; L418-T420 PolarHBondContact O-N 3.28Å; T420-R422 VanDerWaalsContact C-N 3.32Å
421	G	91.6	Very high	93.7	Very high	15 Å²	15	44.4 Å²	44.4	16%	0.155	23%	0.227	C	C	.	.	S	Bend	trans	85.8	-3.7	-175.7	0	0	0	0	0	114.5	L418 N419 A423	L418-G421 PolarHBondContact O-N 3.47Å; N419-G421 PolarHBondContact O-N 3.02Å; G421-A423 PolarHBondContact O-N 3.31Å
422	R	93.8	Very high	94.2	Very high	134 Å²	134	47.9 Å²	47.9	51%	0.506	24%	0.24	S	C	.	.			trans	-69.7	124.2	172.5	-168.7	-179.9	-173.6	158.4	3.2	109.3	L390 V417 L418 T420	L390-R422 HydrophobicContact CD1-CB 4.28Å; L390-R422 HydrophobicContact CD1-CG 3.94Å; L390-R422 VanDerWaalsContact CD1-O 3.28Å; L390-R422 WeakPolarHBondContact CD1-O 3.43Å; V417-R422 WeakPolarHBondContact CA-O 3.29Å; V417-R422 WeakPolarHBondContact CG2-O 3.29Å; L418-R422 PolarHBondContact N-O 2.93Å; T420-R422 VanDerWaalsContact C-N 3.32Å
423	A	95.7	Very high	94.2	Very high	37 Å²	37	45.1 Å²	45.1	31%	0.306	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.8	176.5	0	0	0	0	0	111	L338 L401 G416 V417 G421	L338-A423 HydrophobicContact CD2-CB 3.4Å; L401-A423 HydrophobicContact CD1-CB 4.5Å; G416-A423 WeakPolarHBondContact O-CA 3.46Å; G416-A423 WeakPolarHBondContact O-CB 3.42Å; V417-A423 HydrophobicContact CB-CB 4.02Å; V417-A423 HydrophobicContact CG2-CB 4.06Å; G421-A423 PolarHBondContact O-N 3.31Å
424	G	95.9	Very high	93.9	Very high	8 Å²	8	45.6 Å²	45.6	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-176.1	-178.7	0	0	0	0	0	111.5	D388 K415 G416	D388-G424 CarbonylContact O-C 3.6Å; D388-G424 WeakPolarHBondContact O-CA 3.27Å; K415-G424 WeakPolarHBondContact CA-O 3.26Å; G416-G424 PolarHBondContact N-O 3.29Å; G416-G424 PolarHBondContact O-N 3.35Å
425	L	95.6	Very high	92.9	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.4	177.9	-61.8	169.3	0	0	0	111	D388 H389 L390 P405 Y408 Y413 W414 K415	D388-L425 HydrophobicContact CB-CD1 4.19Å; D388-L425 PolarHBondContact O-N 2.88Å; H389-L425 CarbonylContact C-O 3.57Å; H389-L425 WeakPolarHBondContact CA-O 3.49Å; L390-L425 PolarHBondContact N-O 3.27Å; P405-L425 HydrophobicContact CB-CD2 4.13Å; P405-L425 HydrophobicContact CG-CD2 3.79Å; Y408-L425 HydrophobicContact CD2-CD1 3.42Å; Y408-L425 VanDerWaalsContact CD2-CD1 3.42Å; Y408-L425 HydrophobicContact CD2-CD2 4.34Å; Y408-L425 HydrophobicContact CE2-CD1 3.12Å; Y413-L425 HydrophobicContact CD1-CB 4.22Å; W414-L425 CarbonylContact O-C 3.49Å; W414-L425 VanDerWaalsContact O-CA 3.29Å; W414-L425 WeakPolarHBondContact O-CA 3.45Å; K415-L425 HydrophobicContact CB-CD2 4.26Å
426	F	95.7	Very high	90.7	Very high	3 Å²	3	55 Å²	55	1%	0.013	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.7	175.1	73.4	-79.6	0	0	0	110.2	V376 L390 Y392 I398 V400 W414 T431	V376-F426 HydrophobicContact CG2-CE2 4.04Å; V376-F426 HydrophobicContact CG2-CZ 4.2Å; L390-F426 HydrophobicContact CB-CB 4.45Å; Y392-F426 HydrophobicContact CE1-CB 3.72Å; I398-F426 HydrophobicContact CD1-CD2 4.22Å; I398-F426 HydrophobicContact CD1-CG 4.34Å; I398-F426 HydrophobicContact CG2-CD1 4.13Å; I398-F426 HydrophobicContact CG2-CE1 3.84Å; I398-F426 HydrophobicContact CG2-CZ 4.09Å; V400-F426 HydrophobicContact CG2-CZ 4.08Å; W414-F426 HydrophobicContact CB-CD1 4.24Å; W414-F426 HydrophobicContact CB-CE1 3.64Å; W414-F426 HydrophobicContact CB-CE2 4.34Å; W414-F426 HydrophobicContact CB-CZ 3.71Å; W414-F426 HydrophobicContact CE3-CE2 4.4Å; W414-F426 AromaticContact CE3-CZ 3.96Å; W414-F426 HydrophobicContact CE3-CZ 3.96Å; W414-F426 PolarHBondContact N-O 2.98Å; W414-F426 VanDerWaalsContact O-CD1 3.24Å; W414-F426 WeakPolarHBondContact O-CD1 3.39Å; W414-F426 PolarHBondContact O-N 3.43Å; F426-T431 HydrophobicContact CD2-CG2 3.73Å; F426-T431 HydrophobicContact CE2-CG2 3.72Å
427	L	94.2	Very high	87.8	Confident	43 Å²	43	59.8 Å²	59.8	23%	0.225	33%	0.331	C	S	.	.			trans	-80.6	123.1	176.1	-65.4	170.4	0	0	0	109.2	Y412 Y413 E429 T430	Y412-L427 HydrophobicContact CD1-CD2 3.51Å; Y412-L427 HydrophobicContact CE1-CD2 3.26Å; Y412-L427 HydrophobicContact CG-CD2 4.36Å; Y413-L427 HydrophobicContact CD1-CD2 3.75Å; Y413-L427 HydrophobicContact CD1-CG 4.24Å; Y413-L427 HydrophobicContact CE1-CD2 3.43Å; Y413-L427 VanDerWaalsContact CE1-CD2 3.43Å; Y413-L427 HydrophobicContact CE1-CG 3.85Å; Y413-L427 HydrophobicContact CG-CD2 4.42Å; L427-E429 PolarHBondContact O-N 2.88Å; L427-T430 HydrophobicContact CB-CG2 4.01Å; L427-T430 HydrophobicContact CD1-CG2 4.43Å; L427-T430 PolarHBondContact O-N 2.83Å; L427-T430 VanDerWaalsContact O-N 3.15Å; L427-T430 PolarHBondContact O-OG1 2.95Å
428	P	93.2	Very high	84.6	Confident	28 Å²	28	68.3 Å²	68.3	18%	0.182	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-59.4	-29.9	177.2	22.6	-30.9	0	0	0	112.6	Y412 W414 T430 T431	Y412-P428 WeakPolarHBondContact O-CD 3.29Å; W414-P428 HydrophobicContact CD2-CB 3.7Å; W414-P428 HydrophobicContact CD2-CG 4.11Å; W414-P428 HydrophobicContact CE3-CB 3.95Å; W414-P428 HydrophobicContact CG-CB 4.21Å; W414-P428 HydrophobicContact CG-CG 4.21Å; W414-P428 HydrophobicContact CH2-CB 4.07Å; W414-P428 HydrophobicContact CZ2-CB 3.82Å; W414-P428 HydrophobicContact CZ2-CG 4.28Å; W414-P428 HydrophobicContact CZ3-CB 4.13Å; P428-T430 PolarHBondContact O-N 2.9Å; P428-T431 PolarHBondContact O-N 3.3Å; P428-T431 PolarHBondContact O-OG1 3.2Å
429	E	92	Very high	81.4	Confident	154 Å²	154	73.6 Å²	73.6	72%	0.72	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-63.4	-21.3	178.4	-60.7	178.5	-174.8	0	0	114.3	L427 T431	L427-E429 PolarHBondContact O-N 2.88Å; E429-T431 PolarHBondContact O-N 3.36Å
430	T	91.7	Very high	78.4	Confident	26 Å²	26	75.7 Å²	75.7	16%	0.16	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-86	3.8	175.9	64.5	0	0	0	0	112.3	V379 Y392 L427 P428	V379-T430 PolarHBondContact N-O 2.79Å; Y392-T430 PolarHBondContact OH-OG1 3.35Å; L427-T430 HydrophobicContact CB-CG2 4.01Å; L427-T430 HydrophobicContact CD1-CG2 4.43Å; L427-T430 PolarHBondContact O-N 2.83Å; L427-T430 VanDerWaalsContact O-N 3.15Å; L427-T430 PolarHBondContact O-OG1 2.95Å; P428-T430 PolarHBondContact O-N 2.9Å
431	T	94.7	Very high	75.5	Confident	18 Å²	18	76.6 Å²	76.6	11%	0.11	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.9	-174.6	71.3	0	0	0	0	112.4	V376 R377 I398 F426 P428 E429	V376-T431 HydrophobicContact CG2-CG2 3.83Å; R377-T431 CarbonylContact O-C 3.54Å; R377-T431 VanDerWaalsContact O-CA 3.24Å; R377-T431 WeakPolarHBondContact O-CA 3.48Å; I398-T431 HydrophobicContact CD1-CG2 4.1Å; F426-T431 HydrophobicContact CD2-CG2 3.73Å; F426-T431 HydrophobicContact CE2-CG2 3.72Å; P428-T431 PolarHBondContact O-N 3.3Å; P428-T431 PolarHBondContact O-OG1 3.2Å; E429-T431 PolarHBondContact O-N 3.36Å
432	I	94.2	Very high	72.4	Confident	94 Å²	94	81.7 Å²	81.7	48%	0.482	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.4	170.1	53.1	170.3	0	0	0	109.7	V376 R377 V379 L434	V376-I432 CarbonylContact C-O 3.57Å; V376-I432 VanDerWaalsContact CA-O 3.24Å; V376-I432 WeakPolarHBondContact CA-O 3.35Å; V376-I432 WeakPolarHBondContact CB-O 3.43Å; R377-I432 HydrophobicContact CB-CG1 4.1Å; R377-I432 PolarHBondContact N-O 3.46Å; R377-I432 PolarHBondContact O-N 2.85Å; V379-I432 HydrophobicContact CG2-CB 4.3Å; V379-I432 HydrophobicContact CG2-CD1 4.44Å; V379-I432 HydrophobicContact CG2-CG1 3.97Å; V379-I432 HydrophobicContact CG2-CG2 3.66Å; I432-L434 PolarHBondContact O-N 2.88Å
433	S	90.1	Very high	69.3	Low	55 Å²	55	82.1 Å²	82.1	39%	0.385	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	129.2	177.3	-168.1	0	0	0	0	110.6	E374 L435	E374-S433 VanDerWaalsContact OE1-CB 3.29Å; E374-S433 WeakPolarHBondContact OE1-CB 3.47Å; E374-S433 PolarHBondContact OE1-OG 2.78Å; S433-L435 PolarHBondContact O-N 3.29Å; S433-L435 VanDerWaalsContact O-N 3.07Å
434	L	87	Confident	66	Low	56 Å²	56	87.5 Å²	87.5	29%	0.293	50%	0.502	S	S	.	.			trans	-80.8	72.6	162.7	-119.9	72.6	0	0	0	106.7	Q375 R377 V397 I432 N436	Q375-L434 HydrophobicContact CB-CB 4.29Å; Q375-L434 WeakPolarHBondContact O-CA 3.36Å; Q375-L434 VanDerWaalsContact O-CB 3.24Å; Q375-L434 WeakPolarHBondContact O-CB 3.33Å; Q375-L434 PolarHBondContact O-N 3.38Å; R377-L434 HydrophobicContact CB-CD1 3.54Å; V397-L434 HydrophobicContact CG2-CD2 4.36Å; I432-L434 PolarHBondContact O-N 2.88Å; L434-N436 PolarHBondContact O-N 3.4Å
435	L	75	Confident	62.6	Low	135 Å²	135	90.8 Å²	90.8	71%	0.707	54%	0.537	S	S	*	.			trans	-54.4	132.8	160.5	-80.5	158.7	0	0	0	106.3	S433 S437	S433-L435 PolarHBondContact O-N 3.29Å; S433-L435 VanDerWaalsContact O-N 3.07Å; L435-S437 PolarHBondContact O-N 2.88Å; L435-S437 PolarHBondContact O-OG 3Å
436	N	50.5	Low	59.4	Low	163 Å²	163	94 Å²	94	87%	0.872	57%	0.565	S	S	*	*			trans	-54.7	73.6	177.9	-69.7	-24.3	0	0	0	110.6	L434 E438	L434-N436 PolarHBondContact O-N 3.4Å; N436-E438 VanDerWaalsContact C-N 3.33Å; N436-E438 PolarHBondContact O-N 3.06Å; N436-E438 VanDerWaalsContact O-N 3.12Å
437	S	35.7	Very low	56.2	Low	100 Å²	100	101.6 Å²	101.6	70%	0.699	60%	0.603	S	S	*	*			trans	-71.4	102.4	160.9	-57.1	0	0	0	0	102.3	L435 C439	L435-S437 PolarHBondContact O-N 2.88Å; L435-S437 PolarHBondContact O-OG 3Å; S437-C439 PolarHBondContact O-N 3.25Å
438	E	30.9	Very low	52.9	Low	184 Å²	184	106.9 Å²	106.9	86%	0.86	63%	0.63	S	S	*	*			trans	-39.2	113.5	163.3	-65.9	179	157.7	0	0	107	N436 P440	N436-E438 VanDerWaalsContact C-N 3.33Å; N436-E438 PolarHBondContact O-N 3.06Å; N436-E438 VanDerWaalsContact O-N 3.12Å; E438-P440 VanDerWaalsContact O-CD 3.24Å; E438-P440 WeakPolarHBondContact O-CD 3.48Å
439	C	28	Very low	49.7	Very low	119 Å²	119	111.1 Å²	111.1	80%	0.804	66%	0.66	S	S	*	*			trans	-51.8	116.3	-179.2	-72.9	0	0	0	0	107.4	S437 S441	S437-C439 PolarHBondContact O-N 3.25Å; C439-S441 PolarHBondContact O-N 3.09Å
440	P	30.3	Very low	47.1	Very low	119 Å²	119	109.8 Å²	109.8	77%	0.773	67%	0.665	S	S	*	*			trans	-65.5	111.2	176.6	23.8	-27.1	0	0	0	106	E438 S442	E438-P440 VanDerWaalsContact O-CD 3.24Å; E438-P440 WeakPolarHBondContact O-CD 3.48Å; P440-S442 PolarHBondContact O-N 3.32Å
441	S	29.9	Very low	44.1	Very low	104 Å²	104	113.7 Å²	113.7	73%	0.727	69%	0.694	S	S	*	*			trans	-53.6	112.1	163.1	35	0	0	0	0	107	C439 I443	C439-S441 PolarHBondContact O-N 3.09Å; S441-I443 PolarHBondContact O-N 3.27Å
442	S	26.7	Very low	40.8	Very low	123 Å²	123	118 Å²	118	86%	0.86	73%	0.725	S	S	*	*	S	Bend	trans	8.3	79.2	162.2	-57	0	0	0	0	116.1	P440	P440-S442 PolarHBondContact O-N 3.32Å
443	I	27.5	Very low	37.6	Very low	142 Å²	142	118.6 Å²	118.6	73%	0.728	74%	0.737	S	S	*	*			trans	-131.5	97.9	154.9	-58.9	178.4	0	0	0	105.6	S441	S441-I443 PolarHBondContact O-N 3.27Å
444	N	27.4	Very low	34.7	Very low	150 Å²	150	121.9 Å²	121.9	80%	0.802	76%	0.76	S	S	*	*			trans	-179.6	72.6	134.9	-84.2	-18.5	0	0	0	109.4
445	G	24.2	Very low	31.9	Very low	78 Å²	78	124.4 Å²	124.4	80%	0.804	78%	0.782	S	S	*	*			trans	-89.6	127	134.3	0	0	0	0	0	107.6
446	A	28.2	Very low	30	Very low	79 Å²	79	124 Å²	124	65%	0.653	79%	0.791	S	S	*	*			trans	114.7	139.5	167.2	0	0	0	0	0	116.3
447	M	28.7	Very low	28.9	Very low	164 Å²	164	120.7 Å²	120.7	81%	0.808	78%	0.78	S	S	*	*			trans	82.5	81.9	-178.4	-51.5	-72.5	116.9	0	0	113.9
448	L	24.6	Very low	28.6	Very low	154 Å²	154	122.8 Å²	122.8	81%	0.806	78%	0.784	S	S	*	*				43.1	109.5	82.8	-64.4	165.6	0	0	0	111.5
449	S	26.3	Very low	28.6	Very low	116 Å²	116	122.1 Å²	122.1	81%	0.811	78%	0.784	S	S	*	*				178.1	164.6	82.5	-57.7	0	0	0	0	110.9
450	P	38.3	Very low	28.6	Very low	127 Å²	127	124.4 Å²	124.4	83%	0.825	79%	0.788	S	S	*	*			trans	-111.9	159.9	-149.5	39.7	-30.3	0	0	0	115.5
451	S	27.1	Very low	28.5	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	79%	0.792	S	S	*	*			trans	-153.1	116.1	154.1	56.5	0	0	0	0	111.4
452	S	25.8	Very low	28.4	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	80%	0.799	S	S	*	*			trans	29.9	130.2	139.2	57.1	0	0	0	0	118
453	S	26.7	Very low	28.5	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	80%	0.801	S	S	*	*			cis	173.8	134.6	29.1	40	0	0	0	0	107
454	S	30.8	Very low	28.5	Very low	124 Å²	124	133 Å²	133	87%	0.867	81%	0.805	S	S	*	*				167.4	129.1	129.9	44.3	0	0	0	0	110.4
455	S	27.1	Very low	28.4	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	81%	0.811	S	S	*	*			trans	-54.3	136.5	-178.8	-63.8	0	0	0	0	113.9
456	S	35.7	Very low	28.5	Very low	127 Å²	127	135.1 Å²	135.1	89%	0.888	81%	0.81	S	S	*	*			trans	-153	89.4	131.4	-78.1	0	0	0	0	106.9
457	S	27.7	Very low	28.7	Very low	92 Å²	92	140.6 Å²	140.6	64%	0.643	82%	0.82	S	S	*	*			trans	-60.1	155.6	164.6	36.9	0	0	0	0	110.8
458	D	29.7	Very low	28.6	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	82%	0.82	S	S	*	*			trans	84	88.3	165.8	-48.9	-37.4	0	0	0	116.1
459	I	30.1	Very low	28.5	Very low	170 Å²	170	141.3 Å²	141.3	87%	0.872	82%	0.818	S	S	*	*	S	Bend		175	72.9	121.8	-75.3	146.3	0	0	0	106.8
460	L	28.2	Very low	28.4	Very low	167 Å²	167	142.3 Å²	142.3	87%	0.874	82%	0.821	S	S	*	*	S	Bend	trans	-149	10	168.6	-110.8	161.5	0	0	0	114.8
461	N	26.8	Very low	27.5	Very low	161 Å²	161	143.6 Å²	143.6	86%	0.861	81%	0.814	S	S	*	*	S	Bend	trans	-117.8	35.4	-177.1	-93.8	-19.2	0	0	0	114.9
462	K	27.9	Very low	27.3	Very low	203 Å²	203	144 Å²	144	88%	0.883	82%	0.816	S	S	*	*	S	Bend	trans	-142.3	19.6	178	-123.9	176.7	-174.5	177.7	0	119.6
463	V	30.6	Very low	27.5	Very low	150 Å²	150	144.6 Å²	144.6	91%	0.909	82%	0.816	S	S	*	*	S	Bend	trans	-135.1	43.1	164.7	-160.7	0	0	0	0	111.6
464	L	25.6	Very low	27.4	Very low	153 Å²	153	149.5 Å²	149.5	80%	0.801	82%	0.824	S	S	*	*			trans	-110.4	95	157	-77.2	170.9	0	0	0	106.5
465	L	25.6	Very low	27.4	Very low	178 Å²	178	148.1 Å²	148.1	93%	0.932	82%	0.815	S	S	*	*			trans	154.6	88.3	157.1	-85.3	155.2	0	0	0	109.7
466	A	27.1	Very low	27.4	Very low	95 Å²	95	150.8 Å²	150.8	79%	0.785	82%	0.821	S	S	*	*			trans	-170.8	128.7	143.1	0	0	0	0	0	110.6
467	K	32.4	Very low	27.2	Very low	195 Å²	195	151.4 Å²	151.4	85%	0.848	81%	0.814	S	S	*	*			trans	90.4	69.6	163.3	-56.8	-179.8	-179.5	179.8	0	117.8
468	T	26.7	Very low	27.4	Very low	134 Å²	134	158.1 Å²	158.1	82%	0.822	83%	0.825	S	S	*	*				15.3	114.9	122.9	52.1	0	0	0	0	119.3
469	R	21.6	Very low	27.6	Very low	199 Å²	199	156.9 Å²	156.9	75%	0.751	83%	0.825	S	S	*	*			trans	6.1	146.2	139.5	-76.1	176.1	165.6	179.3	-5.2	119.2	K471	R469-K471 VanDerWaalsContact NH1-CE 3.28Å
470	P	24.2	Very low	28	Very low	137 Å²	137	158 Å²	158	89%	0.89	83%	0.827	S	S	*	*				-108.1	143.1	118.3	22.8	-8.8	0	0	0	111.7
471	K	20.3	Very low	28.4	Very low	154 Å²	154	157.2 Å²	157.2	67%	0.67	82%	0.822	S	S	*	*			trans	-94.7	145.8	177.5	-81.2	176.7	171.6	173.8	0	110.6	R469	R469-K471 VanDerWaalsContact NH1-CE 3.28Å
472	C	23.4	Very low	28.7	Very low	117 Å²	117	154.9 Å²	154.9	79%	0.791	82%	0.818	S	S	*	*			trans	74.5	153.3	149.7	-70.3	0	0	0	0	118.5
473	P	29.5	Very low	29.3	Very low	120 Å²	120	149.3 Å²	149.3	78%	0.779	81%	0.81	S	S	*	*			cis	-129.2	162.6	21.4	37	-18.6	0	0	0	116.8	S475	P473-S475 PolarHBondContact O-N 3.26Å
474	K	24.5	Very low	29.7	Very low	208 Å²	208	146.9 Å²	146.9	90%	0.904	80%	0.797	S	S	*	*			trans	-65.8	110	173.2	-60.8	170.5	178.6	175.3	0	109.3
475	S	29.9	Very low	30.3	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	80%	0.795	S	S	*	*			trans	-100.8	126.2	161.9	65.3	0	0	0	0	109.3	P473 N477	P473-S475 PolarHBondContact O-N 3.26Å; S475-N477 VanDerWaalsContact C-N 3.27Å; S475-N477 PolarHBondContact O-N 3.3Å
476	N	27.6	Very low	30.9	Very low	167 Å²	167	141 Å²	141	89%	0.893	78%	0.784	S	S	*	*			trans	-66.3	84	168.1	-84	-17.4	0	0	0	108.9
477	N	32	Very low	31.9	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	79%	0.788	S	S	*	*			trans	-109.3	89.3	165.1	-84.7	-0.9	0	0	0	109	S475	S475-N477 VanDerWaalsContact C-N 3.27Å; S475-N477 PolarHBondContact O-N 3.3Å
478	R	31.4	Very low	32.4	Very low	232 Å²	232	142.1 Å²	142.1	88%	0.875	79%	0.785	S	S	*	*			trans	-46.6	125.8	159	-162.5	179.2	-167.6	-177	2.5	107.6	E480	R478-E480 PolarHBondContact O-N 3.29Å
479	P	34.3	Very low	33.2	Very low	120 Å²	120	147.3 Å²	147.3	78%	0.779	79%	0.79	S	S	*	*			trans	-64.9	110.6	179.6	23.3	-30.3	0	0	0	109	I481	P479-I481 PolarHBondContact O-N 3.41Å
480	E	37.5	Very low	34.5	Very low	194 Å²	194	142.9 Å²	142.9	91%	0.907	78%	0.778	S	S	*	*			trans	-79.3	9.3	-176	-122.3	178.4	-166.4	0	0	113.7	R478	R478-E480 PolarHBondContact O-N 3.29Å
481	I	37.6	Very low	36.1	Very low	149 Å²	149	139.8 Å²	139.8	76%	0.764	76%	0.756	S	S	*	*	S	Bend	trans	-123.8	108.9	-179.8	-54.1	179.2	0	0	0	107.6	P479 A483	P479-I481 PolarHBondContact O-N 3.41Å; I481-A483 PolarHBondContact O-N 3.35Å
482	S	32.7	Very low	38.4	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-48.7	130.8	176.2	43	0	0	0	0	111.1
483	A	41.5	Very low	40.1	Very low	87 Å²	87	133.6 Å²	133.6	72%	0.719	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-56	148.9	173	0	0	0	0	0	111.1	I481 S485	I481-A483 PolarHBondContact O-N 3.35Å; A483-S485 PolarHBondContact O-N 3.22Å; A483-S485 VanDerWaalsContact O-N 3.15Å
484	P	39.1	Very low	41.8	Very low	98 Å²	98	130.3 Å²	130.3	64%	0.636	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-62	118.6	-170.6	-19.5	31.1	0	0	0	112
485	S	38.4	Very low	43.2	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-80.8	117.3	168.8	-179.1	0	0	0	0	109	A483	A483-S485 PolarHBondContact O-N 3.22Å; A483-S485 VanDerWaalsContact O-N 3.15Å
486	S	37.1	Very low	44.2	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	67%	0.673	S	S	*	*	S	Bend	trans	51.2	107.1	161	59.9	0	0	0	0	117.9
487	D	48	Very low	45.8	Very low	161 Å²	161	118.5 Å²	118.5	86%	0.861	66%	0.655	S	S	*	*	S	Bend	trans	73.9	25.2	146.2	-145.2	17.9	0	0	0	120.1
488	L	42.3	Very low	47.1	Very low	152 Å²	152	112.4 Å²	112.4	80%	0.796	63%	0.626	S	S	*	*			trans	-116.2	116.2	158	-66.1	171.5	0	0	0	108.1	H490	L488-H490 PolarHBondContact O-N 2.98Å
489	R	44.1	Very low	48.6	Very low	242 Å²	242	105.4 Å²	105.4	91%	0.913	61%	0.609	S	S	*	*			trans	-68.2	76.5	175.1	-76.9	-167.3	-99.3	-142.4	-2.9	109.9	T491	R489-T491 PolarHBondContact O-N 3.37Å
490	H	48.8	Very low	50.2	Low	107 Å²	107	104.4 Å²	104.4	50%	0.495	59%	0.59	S	S	.	*			trans	-85	89.4	171.7	-170.9	67.5	0	0	0	108.2	L488 H493	L488-H490 PolarHBondContact O-N 2.98Å; H490-H493 AromaticContact CE1-CE1 3.04Å; H490-H493 PolarHBondContact CE1-CE1 3.17Å; H490-H493 AromaticContact CE1-ND1 3.12Å; H490-H493 PolarHBondContact CE1-ND1 2.82Å; H490-H493 AromaticContact NE2-CE1 3.05Å; H490-H493 PolarHBondContact NE2-CE1 2.91Å; H490-H493 AromaticContact NE2-ND1 2.79Å; H490-H493 PolarHBondContact NE2-ND1 2.88Å
491	T	58.6	Low	51.3	Low	72 Å²	72	103.2 Å²	103.2	44%	0.442	58%	0.582	S	S	.	*			trans	-82.4	-21.6	-166.6	51.7	0	0	0	0	114.1	R489 G502 D503	R489-T491 PolarHBondContact O-N 3.37Å; T491-G502 CarbonylContact O-C 3.54Å; T491-G502 VanDerWaalsContact O-C 3.27Å; T491-G502 WeakPolarHBondContact O-CA 3.34Å; T491-D503 CarbonylContact O-C 3.36Å; T491-D503 WeakPolarHBondContact O-CA 3.42Å; T491-D503 PolarHBondContact O-N 2.89Å
492	G	68.4	Low	52.8	Low	24 Å²	24	97.9 Å²	97.9	25%	0.247	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-177.3	173.3	172	0	0	0	0	0	115.9	F501	G492-F501 CarbonylContact C-O 3.47Å; G492-F501 WeakPolarHBondContact CA-O 3.34Å
493	H	58	Low	54.3	Low	116 Å²	116	97.2 Å²	97.2	54%	0.537	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.5	141.7	176.4	-101.1	65.7	0	0	0	109.7	H490 Y500 F501	H490-H493 AromaticContact CE1-CE1 3.04Å; H490-H493 PolarHBondContact CE1-CE1 3.17Å; H490-H493 AromaticContact CE1-ND1 3.12Å; H490-H493 PolarHBondContact CE1-ND1 2.82Å; H490-H493 AromaticContact NE2-CE1 3.05Å; H490-H493 PolarHBondContact NE2-CE1 2.91Å; H490-H493 AromaticContact NE2-ND1 2.79Å; H490-H493 PolarHBondContact NE2-ND1 2.88Å; H493-Y500 CarbonylContact O-C 3.58Å; H493-Y500 WeakPolarHBondContact O-CA 3.48Å; H493-Y500 WeakPolarHBondContact O-CB 3.38Å; H493-F501 PolarHBondContact N-O 2.66Å; H493-F501 PolarHBondContact O-N 2.98Å
494	V	65.9	Low	55.2	Low	51 Å²	51	93.7 Å²	93.7	31%	0.309	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.6	168.2	-173.1	0	0	0	0	107.3	T499 L515	V494-T499 CarbonylContact C-O 3.36Å; V494-T499 WeakPolarHBondContact CA-O 3.47Å; V494-L515 HydrophobicContact CG2-CD2 4.45Å
495	G	54.9	Low	56.1	Low	29 Å²	29	92.5 Å²	92.5	30%	0.299	52%	0.52	S	S	.	.			trans	-71.5	163.8	174.9	0	0	0	0	0	112.2	D497 G498 T499	G495-D497 PolarHBondContact O-N 3.49Å; G495-G498 PolarHBondContact O-N 3.06Å; G495-T499 PolarHBondContact N-O 2.82Å
496	S	49.2	Very low	57.3	Low	94 Å²	94	93.9 Å²	93.9	66%	0.657	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.5	177.4	51.3	0	0	0	0	113.8	G498 V520	S496-G498 VanDerWaalsContact C-N 3.3Å; S496-V520 WeakPolarHBondContact O-CG2 3.33Å
497	D	61.4	Low	58	Low	99 Å²	99	91.2 Å²	91.2	53%	0.529	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.2	173	65.3	-15.2	0	0	0	113	G495 T499	G495-D497 PolarHBondContact O-N 3.49Å; D497-T499 PolarHBondContact O-N 3.23Å; D497-T499 WeakPolarHBondContact OD1-CB 3.45Å; D497-T499 PolarHBondContact OD1-N 3.41Å; D497-T499 PolarHBondContact OD1-OG1 3.41Å; D497-T499 WeakPolarHBondContact OD2-CG2 3.49Å; D497-T499 PolarHBondContact OD2-OG1 3.15Å; D497-T499 VanDerWaalsContact OD2-OG1 3.06Å
498	G	59.6	Low	58	Low	12 Å²	12	89.8 Å²	89.8	12%	0.124	48%	0.482	C	S	.	.	S	Bend	trans	78.3	-2.3	-175.8	0	0	0	0	0	114.2	G495 S496 P516	G495-G498 PolarHBondContact O-N 3.06Å; S496-G498 VanDerWaalsContact C-N 3.3Å; G498-P516 WeakPolarHBondContact O-CB 3.22Å
499	T	63.5	Low	58.7	Low	85 Å²	85	87.5 Å²	87.5	52%	0.521	48%	0.48	S	S	.	.			trans	-68.5	148.1	170.6	64.6	0	0	0	0	109.6	V494 G495 D497	V494-T499 CarbonylContact C-O 3.36Å; V494-T499 WeakPolarHBondContact CA-O 3.47Å; G495-T499 PolarHBondContact N-O 2.82Å; D497-T499 PolarHBondContact O-N 3.23Å; D497-T499 WeakPolarHBondContact OD1-CB 3.45Å; D497-T499 PolarHBondContact OD1-N 3.41Å; D497-T499 PolarHBondContact OD1-OG1 3.41Å; D497-T499 WeakPolarHBondContact OD2-CG2 3.49Å; D497-T499 PolarHBondContact OD2-OG1 3.15Å; D497-T499 VanDerWaalsContact OD2-OG1 3.06Å
500	Y	68	Low	59.1	Low	100 Å²	100	78 Å²	78	39%	0.392	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.4	-179.4	64.6	-96.5	0	0	0	111.9	H493 V504 R512	H493-Y500 CarbonylContact O-C 3.58Å; H493-Y500 WeakPolarHBondContact O-CA 3.48Å; H493-Y500 WeakPolarHBondContact O-CB 3.38Å; Y500-V504 HydrophobicContact CD2-CG2 3.14Å; Y500-V504 HydrophobicContact CE2-CG2 3.29Å; Y500-V504 HydrophobicContact CG-CG2 3.84Å; Y500-R512 PolarHBondContact OH-NE 3.03Å; Y500-R512 PolarHBondContact OH-NH2 3.21Å
501	F	59.5	Low	59.3	Low	168 Å²	168	78.2 Å²	78.2	74%	0.737	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.6	176.5	174.9	-96.2	0	0	0	109.8	G492 H493	G492-F501 CarbonylContact C-O 3.47Å; G492-F501 WeakPolarHBondContact CA-O 3.34Å; H493-F501 PolarHBondContact N-O 2.66Å; H493-F501 PolarHBondContact O-N 2.98Å
502	G	68.9	Low	59	Low	38 Å²	38	80.8 Å²	80.8	39%	0.392	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	104.3	177.6	-175.9	0	0	0	0	0	114.1	T491 V504	T491-G502 CarbonylContact O-C 3.54Å; T491-G502 VanDerWaalsContact O-C 3.27Å; T491-G502 WeakPolarHBondContact O-CA 3.34Å; G502-V504 PolarHBondContact O-N 2.84Å; G502-V504 VanDerWaalsContact O-N 3.13Å
503	D	64.2	Low	58.7	Low	97 Å²	97	85.4 Å²	85.4	52%	0.519	48%	0.475	S	S	.	.			trans	-74	93.8	176.3	-173	8.2	0	0	0	111.5	T491 A505 F506	T491-D503 CarbonylContact O-C 3.36Å; T491-D503 WeakPolarHBondContact O-CA 3.42Å; T491-D503 PolarHBondContact O-N 2.89Å; D503-A505 WeakPolarHBondContact OD1-CB 3.32Å; D503-A505 PolarHBondContact OD1-N 2.68Å; D503-F506 VanDerWaalsContact O-CD1 3.26Å; D503-F506 WeakPolarHBondContact O-CD1 3.05Å; D503-F506 WeakPolarHBondContact O-CE1 3.38Å
504	V	61.3	Low	58.8	Low	13 Å²	13	86.9 Å²	86.9	8%	0.079	48%	0.48	C	S	.	.			trans	-97.7	10.9	166.1	-90.6	0	0	0	0	112.3	Y500 G502 F506 L507	Y500-V504 HydrophobicContact CD2-CG2 3.14Å; Y500-V504 HydrophobicContact CE2-CG2 3.29Å; Y500-V504 HydrophobicContact CG-CG2 3.84Å; G502-V504 PolarHBondContact O-N 2.84Å; G502-V504 VanDerWaalsContact O-N 3.13Å; V504-F506 HydrophobicContact CG1-CE1 4.43Å; V504-F506 PolarHBondContact O-N 2.97Å; V504-F506 VanDerWaalsContact O-N 3.16Å; V504-L507 HydrophobicContact CB-CD1 4.06Å; V504-L507 HydrophobicContact CG1-CD1 3.83Å; V504-L507 WeakPolarHBondContact O-CB 3.33Å; V504-L507 PolarHBondContact O-N 3.38Å
505	A	57.6	Low	58.3	Low	74 Å²	74	87.4 Å²	87.4	61%	0.612	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.9	-178.5	0	0	0	0	0	113	D503 L507	D503-A505 WeakPolarHBondContact OD1-CB 3.32Å; D503-A505 PolarHBondContact OD1-N 2.68Å; A505-L507 PolarHBondContact O-N 2.79Å
506	F	63.8	Low	58.3	Low	137 Å²	137	87.1 Å²	87.1	60%	0.601	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.5	172.8	72.5	-92	0	0	0	113.6	D503 V504 N508	D503-F506 VanDerWaalsContact O-CD1 3.26Å; D503-F506 WeakPolarHBondContact O-CD1 3.05Å; D503-F506 WeakPolarHBondContact O-CE1 3.38Å; V504-F506 HydrophobicContact CG1-CE1 4.43Å; V504-F506 PolarHBondContact O-N 2.97Å; V504-F506 VanDerWaalsContact O-N 3.16Å; F506-N508 PolarHBondContact O-N 3.29Å
507	L	52.5	Low	59	Low	44 Å²	44	87.9 Å²	87.9	23%	0.23	47%	0.47	C	S	.	.	S	Bend	trans	-77.2	108.9	172.2	-62.3	172.9	0	0	0	107.8	V504 A505 S509 L515	V504-L507 HydrophobicContact CB-CD1 4.06Å; V504-L507 HydrophobicContact CG1-CD1 3.83Å; V504-L507 WeakPolarHBondContact O-CB 3.33Å; V504-L507 PolarHBondContact O-N 3.38Å; A505-L507 PolarHBondContact O-N 2.79Å; L507-S509 PolarHBondContact O-N 2.89Å; L507-L515 HydrophobicContact CD1-CD2 3.93Å
508	N	47.4	Very low	59.3	Low	131 Å²	131	87.1 Å²	87.1	70%	0.701	47%	0.465	S	S	*	.			trans	-39.2	139.4	176	-99.4	-17.1	0	0	0	111.3	F506 G510 Y511	F506-N508 PolarHBondContact O-N 3.29Å; N508-G510 PolarHBondContact O-N 3.47Å; N508-Y511 HydrophobicContact CB-CD2 4.37Å; N508-Y511 PolarHBondContact O-N 3.26Å
509	S	56.9	Low	59.3	Low	105 Å²	105	88.1 Å²	88.1	73%	0.734	47%	0.472	S	S	*	.	H	α-helix	trans	-44.1	-36	-170.2	53.5	0	0	0	0	115.1	L507 Y511 R512	L507-S509 PolarHBondContact O-N 2.89Å; S509-Y511 VanDerWaalsContact C-N 3.33Å; S509-Y511 PolarHBondContact O-N 3.26Å; S509-R512 PolarHBondContact O-N 2.8Å
510	G	53.6	Low	59.3	Low	42 Å²	42	86.3 Å²	86.3	43%	0.433	46%	0.461	S	S	.	.	H	α-helix	trans	-68.2	-21.1	177.2	0	0	0	0	0	116.2	N508 K514	N508-G510 PolarHBondContact O-N 3.47Å; G510-K514 WeakPolarHBondContact O-CD 3.37Å; G510-K514 WeakPolarHBondContact O-CG 3.42Å
511	Y	52.5	Low	59.3	Low	112 Å²	112	87.9 Å²	87.9	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-90.8	-23.3	175.9	-74.6	-80.9	0	0	0	112.4	E202 N508 S509 D513 K514 L515	E202-Y511 PolarHBondContact OE2-OH 3.12Å; E202-Y511 VanDerWaalsContact OE2-OH 3.04Å; N508-Y511 HydrophobicContact CB-CD2 4.37Å; N508-Y511 PolarHBondContact O-N 3.26Å; S509-Y511 VanDerWaalsContact C-N 3.33Å; S509-Y511 PolarHBondContact O-N 3.26Å; Y511-D513 VanDerWaalsContact C-N 3.26Å; Y511-D513 PolarHBondContact O-N 3.11Å; Y511-K514 PolarHBondContact O-N 2.9Å; Y511-L515 VanDerWaalsContact O-CB 3.26Å; Y511-L515 WeakPolarHBondContact O-CB 3.46Å; Y511-L515 PolarHBondContact O-N 3.23Å
512	R	53	Low	59.3	Low	126 Å²	126	84.7 Å²	84.7	48%	0.475	46%	0.462	S	S	.	.	H	α-helix	trans	-59.9	-37.1	-179.1	-161.6	179.1	-174.2	-167.6	1.4	112.6	Y500 S509 P516	Y500-R512 PolarHBondContact OH-NE 3.03Å; Y500-R512 PolarHBondContact OH-NH2 3.21Å; S509-R512 PolarHBondContact O-N 2.8Å; R512-P516 WeakPolarHBondContact O-CD 3.14Å; R512-P516 WeakPolarHBondContact O-CG 3.34Å
513	D	61.2	Low	58.9	Low	121 Å²	121	84.4 Å²	84.4	65%	0.647	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-23.2	178.7	-58.2	-30.8	0	0	0	112.7	Y511 N517	Y511-D513 VanDerWaalsContact C-N 3.26Å; Y511-D513 PolarHBondContact O-N 3.11Å; D513-N517 PolarHBondContact O-ND2 2.97Å
514	K	60.7	Low	59	Low	147 Å²	147	83 Å²	83	64%	0.639	45%	0.448	S	S	*	.	H	α-helix	trans	-90.7	-37.3	-175.9	-68.5	-176.6	-175.8	-178.8	0	113.5	G510 Y511 N517 L518	G510-K514 WeakPolarHBondContact O-CD 3.37Å; G510-K514 WeakPolarHBondContact O-CG 3.42Å; Y511-K514 PolarHBondContact O-N 2.9Å; K514-N517 PolarHBondContact O-N 3.21Å; K514-L518 WeakPolarHBondContact O-CB 3.47Å; K514-L518 PolarHBondContact O-N 3.39Å
515	L	55.5	Low	59.4	Low	62 Å²	62	88.2 Å²	88.2	33%	0.325	47%	0.47	S	S	.	.	H	α-helix	trans	-66	-42.6	-173.8	-153.3	89.5	0	0	0	112.9	V494 L507 Y511 N517 L518 A519	V494-L515 HydrophobicContact CG2-CD2 4.45Å; L507-L515 HydrophobicContact CD1-CD2 3.93Å; Y511-L515 VanDerWaalsContact O-CB 3.26Å; Y511-L515 WeakPolarHBondContact O-CB 3.46Å; Y511-L515 PolarHBondContact O-N 3.23Å; L515-N517 VanDerWaalsContact C-N 3.33Å; L515-N517 PolarHBondContact O-N 3.08Å; L515-L518 PolarHBondContact O-N 3.47Å; L515-A519 WeakPolarHBondContact O-CB 3.22Å; L515-A519 PolarHBondContact O-N 2.92Å
516	P	54.4	Low	59.9	Low	22 Å²	22	87.1 Å²	87.1	14%	0.143	46%	0.461	C	S	.	.	H	α-helix	trans	-58.5	-44.6	171.9	-28	38.9	0	0	0	112.4	G498 R512 A519 V520	G498-P516 WeakPolarHBondContact O-CB 3.22Å; R512-P516 WeakPolarHBondContact O-CD 3.14Å; R512-P516 WeakPolarHBondContact O-CG 3.34Å; P516-A519 PolarHBondContact O-N 3.05Å; P516-V520 VanDerWaalsContact O-CG2 3.32Å; P516-V520 WeakPolarHBondContact O-CG2 3.49Å; P516-V520 PolarHBondContact O-N 3.39Å
517	N	64.6	Low	60.1	Low	111 Å²	111	85.6 Å²	85.6	59%	0.594	46%	0.457	S	S	*	.	H	α-helix	trans	-66.6	-39.1	179.4	-72.8	-40.3	0	0	0	112	D513 K514 L515 V520 E521	D513-N517 PolarHBondContact O-ND2 2.97Å; K514-N517 PolarHBondContact O-N 3.21Å; L515-N517 VanDerWaalsContact C-N 3.33Å; L515-N517 PolarHBondContact O-N 3.08Å; N517-V520 PolarHBondContact O-N 3.22Å; N517-E521 WeakPolarHBondContact O-CB 3.49Å; N517-E521 PolarHBondContact O-N 2.99Å
518	L	66.8	Low	61	Low	83 Å²	83	91.9 Å²	91.9	44%	0.435	48%	0.478	S	S	.	.	H	α-helix	trans	-65.9	-39.9	174.9	-176.6	65.3	0	0	0	111.6	K514 L515 E521 L522	K514-L518 WeakPolarHBondContact O-CB 3.47Å; K514-L518 PolarHBondContact O-N 3.39Å; L515-L518 PolarHBondContact O-N 3.47Å; L518-E521 PolarHBondContact O-N 2.79Å; L518-L522 HydrophobicContact CD1-CD1 4.36Å; L518-L522 HydrophobicContact CD1-CG 4.3Å; L518-L522 HydrophobicContact CG-CD1 4.04Å; L518-L522 HydrophobicContact CG-CG 4.39Å; L518-L522 WeakPolarHBondContact O-CB 3.24Å; L518-L522 VanDerWaalsContact O-CG 3.22Å; L518-L522 WeakPolarHBondContact O-CG 3.39Å; L518-L522 PolarHBondContact O-N 2.94Å
519	A	60.4	Low	62.4	Low	32 Å²	32	91 Å²	91	26%	0.264	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.2	0	0	0	0	0	111.4	L515 P516 A523	L515-A519 WeakPolarHBondContact O-CB 3.22Å; L515-A519 PolarHBondContact O-N 2.92Å; P516-A519 PolarHBondContact O-N 3.05Å; A519-A523 WeakPolarHBondContact O-CB 3.47Å; A519-A523 PolarHBondContact O-N 3.08Å
520	V	63.4	Low	62.8	Low	47 Å²	47	92.2 Å²	92.2	29%	0.285	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-45.7	173.8	174.2	0	0	0	0	110.8	S496 P516 N517 L522 A523 D524	S496-V520 WeakPolarHBondContact O-CG2 3.33Å; P516-V520 VanDerWaalsContact O-CG2 3.32Å; P516-V520 WeakPolarHBondContact O-CG2 3.49Å; P516-V520 PolarHBondContact O-N 3.39Å; N517-V520 PolarHBondContact O-N 3.22Å; V520-L522 PolarHBondContact O-N 3.17Å; V520-A523 PolarHBondContact O-N 2.85Å; V520-D524 WeakPolarHBondContact O-CB 3.49Å; V520-D524 PolarHBondContact O-N 3.26Å
521	E	66.7	Low	63.3	Low	133 Å²	133	94.8 Å²	94.8	62%	0.621	47%	0.467	S	S	*	.	H	α-helix	trans	-63.1	-42	179.7	-172	-179.7	-180	0	0	112.4	N517 L518 D524 K525	N517-E521 WeakPolarHBondContact O-CB 3.49Å; N517-E521 PolarHBondContact O-N 2.99Å; L518-E521 PolarHBondContact O-N 2.79Å; E521-D524 PolarHBondContact O-N 3.06Å; E521-K525 WeakPolarHBondContact O-CB 2.92Å; E521-K525 PolarHBondContact O-N 2.87Å
522	L	60.6	Low	64.4	Low	102 Å²	102	95.3 Å²	95.3	53%	0.534	47%	0.474	S	S	.	.	H	α-helix	trans	-67.2	-39.2	176.2	-71.1	173.2	0	0	0	111.9	L518 V520 K525 A526	L518-L522 HydrophobicContact CD1-CD1 4.36Å; L518-L522 HydrophobicContact CD1-CG 4.3Å; L518-L522 HydrophobicContact CG-CD1 4.04Å; L518-L522 HydrophobicContact CG-CG 4.39Å; L518-L522 WeakPolarHBondContact O-CB 3.24Å; L518-L522 VanDerWaalsContact O-CG 3.22Å; L518-L522 WeakPolarHBondContact O-CG 3.39Å; L518-L522 PolarHBondContact O-N 2.94Å; V520-L522 PolarHBondContact O-N 3.17Å; L522-K525 PolarHBondContact O-N 2.98Å; L522-A526 WeakPolarHBondContact O-CB 3.46Å; L522-A526 PolarHBondContact O-N 2.94Å
523	A	59.2	Low	65	Low	31 Å²	31	91.7 Å²	91.7	26%	0.256	47%	0.47	S	S	.	.	H	α-helix	trans	-65.8	-44	175.5	0	0	0	0	0	111.7	A519 V520 K525 A526 M527	A519-A523 WeakPolarHBondContact O-CB 3.47Å; A519-A523 PolarHBondContact O-N 3.08Å; V520-A523 PolarHBondContact O-N 2.85Å; A523-K525 VanDerWaalsContact C-N 3.34Å; A523-K525 PolarHBondContact O-N 3.08Å; A523-A526 PolarHBondContact O-N 3.32Å; A523-M527 PolarHBondContact O-N 3.39Å
524	D	67.6	Low	65.1	Low	69 Å²	69	90.7 Å²	90.7	37%	0.369	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-41.4	175.1	-93.6	1	0	0	0	111.7	V520 E521 M527 R528	V520-D524 WeakPolarHBondContact O-CB 3.49Å; V520-D524 PolarHBondContact O-N 3.26Å; E521-D524 PolarHBondContact O-N 3.06Å; D524-M527 PolarHBondContact O-N 3.25Å; D524-R528 WeakPolarHBondContact O-CB 3.34Å; D524-R528 VanDerWaalsContact O-CG 3.29Å; D524-R528 WeakPolarHBondContact O-CG 3.46Å; D524-R528 PolarHBondContact O-N 3.12Å
525	K	70.3	Confident	65.6	Low	121 Å²	121	92.4 Å²	92.4	53%	0.526	47%	0.467	S	S	.	.	H	α-helix	trans	-63	-47.4	175.6	-175.8	179.8	173.6	-174.7	0	111.5	E521 L522 A523 M527 R528 E529	E521-K525 WeakPolarHBondContact O-CB 2.92Å; E521-K525 PolarHBondContact O-N 2.87Å; L522-K525 PolarHBondContact O-N 2.98Å; A523-K525 VanDerWaalsContact C-N 3.34Å; A523-K525 PolarHBondContact O-N 3.08Å; K525-M527 VanDerWaalsContact C-N 3.34Å; K525-M527 PolarHBondContact O-N 2.79Å; K525-R528 PolarHBondContact O-N 3.3Å; K525-E529 WeakPolarHBondContact CE-OE1 3.46Å; K525-E529 WeakPolarHBondContact O-CG 3.45Å; K525-E529 PolarHBondContact O-N 2.92Å
526	A	66.4	Low	66.1	Low	52 Å²	52	94.7 Å²	94.7	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-42.4	177.6	0	0	0	0	0	111.8	L522 A523 R528 E529 Q530	L522-A526 WeakPolarHBondContact O-CB 3.46Å; L522-A526 PolarHBondContact O-N 2.94Å; A523-A526 PolarHBondContact O-N 3.32Å; A526-R528 PolarHBondContact O-N 2.78Å; A526-E529 PolarHBondContact O-N 2.92Å; A526-Q530 WeakPolarHBondContact O-CB 3.38Å; A526-Q530 PolarHBondContact O-N 3.38Å
527	M	68.7	Low	66.3	Low	104 Å²	104	100.4 Å²	100.4	51%	0.512	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-38.6	174.7	-81.7	-160.1	-70.6	0	0	112.6	A523 D524 K525 N531	A523-M527 PolarHBondContact O-N 3.39Å; D524-M527 PolarHBondContact O-N 3.25Å; K525-M527 VanDerWaalsContact C-N 3.34Å; K525-M527 PolarHBondContact O-N 2.79Å; M527-N531 VanDerWaalsContact O-CB 3.31Å; M527-N531 WeakPolarHBondContact O-CB 3.25Å; M527-N531 VanDerWaalsContact O-CG 3.31Å; M527-N531 PolarHBondContact O-N 3.04Å; M527-N531 PolarHBondContact O-ND2 3.07Å
528	R	71.1	Confident	66	Low	177 Å²	177	98.5 Å²	98.5	67%	0.668	51%	0.508	S	S	*	.	H	α-helix	trans	-65.4	-46.6	175.9	-75.2	176.4	-170.5	178.9	7	111.8	D524 K525 A526 Q530 N531 E532	D524-R528 WeakPolarHBondContact O-CB 3.34Å; D524-R528 VanDerWaalsContact O-CG 3.29Å; D524-R528 WeakPolarHBondContact O-CG 3.46Å; D524-R528 PolarHBondContact O-N 3.12Å; K525-R528 PolarHBondContact O-N 3.3Å; A526-R528 PolarHBondContact O-N 2.78Å; R528-Q530 VanDerWaalsContact C-N 3.3Å; R528-Q530 PolarHBondContact O-N 3.45Å; R528-N531 PolarHBondContact O-N 3.31Å; R528-E532 WeakPolarHBondContact O-CB 3.03Å; R528-E532 PolarHBondContact O-N 2.89Å
529	E	76.2	Confident	65.5	Low	113 Å²	113	101.3 Å²	101.3	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-60.3	-41.2	177.1	-72.5	175.9	-178.5	0	0	111.3	K525 A526 E532 A533	K525-E529 WeakPolarHBondContact CE-OE1 3.46Å; K525-E529 WeakPolarHBondContact O-CG 3.45Å; K525-E529 PolarHBondContact O-N 2.92Å; A526-E529 PolarHBondContact O-N 2.92Å; E529-E532 PolarHBondContact O-N 3.01Å; E529-A533 WeakPolarHBondContact O-CB 3.32Å; E529-A533 PolarHBondContact O-N 2.83Å
530	Q	67	Low	64.6	Low	130 Å²	130	103.2 Å²	103.2	61%	0.607	55%	0.546	S	S	*	.	H	α-helix	trans	-68.6	-42.1	177.2	-165.6	176.3	-0.2	0	0	112.4	A526 R528 E532 A533 L534	A526-Q530 WeakPolarHBondContact O-CB 3.38Å; A526-Q530 PolarHBondContact O-N 3.38Å; R528-Q530 VanDerWaalsContact C-N 3.3Å; R528-Q530 PolarHBondContact O-N 3.45Å; Q530-E532 VanDerWaalsContact C-N 3.33Å; Q530-A533 PolarHBondContact O-N 2.92Å; Q530-L534 WeakPolarHBondContact O-CB 3.19Å; Q530-L534 WeakPolarHBondContact O-CG 3.46Å; Q530-L534 PolarHBondContact O-N 2.83Å
531	N	63.7	Low	63.1	Low	95 Å²	95	103.8 Å²	103.8	51%	0.508	56%	0.562	S	S	.	*	H	α-helix	trans	-66.1	-35.4	175.6	-80	-31.5	0	0	0	112.3	M527 R528 L534 R535	M527-N531 VanDerWaalsContact O-CB 3.31Å; M527-N531 WeakPolarHBondContact O-CB 3.25Å; M527-N531 VanDerWaalsContact O-CG 3.31Å; M527-N531 PolarHBondContact O-N 3.04Å; M527-N531 PolarHBondContact O-ND2 3.07Å; R528-N531 PolarHBondContact O-N 3.31Å; N531-L534 PolarHBondContact O-N 2.86Å; N531-R535 WeakPolarHBondContact O-CB 3.47Å; N531-R535 WeakPolarHBondContact O-CG 3.17Å; N531-R535 PolarHBondContact O-N 3.05Å
532	E	74.4	Confident	61.4	Low	124 Å²	124	102.7 Å²	102.7	58%	0.579	57%	0.568	S	S	*	*	H	α-helix	trans	-70.2	-41.2	175.4	-169.1	165.4	-167.9	0	0	111.4	R528 E529 Q530 L534 R535 N536	R528-E532 WeakPolarHBondContact O-CB 3.03Å; R528-E532 PolarHBondContact O-N 2.89Å; E529-E532 PolarHBondContact O-N 3.01Å; Q530-E532 VanDerWaalsContact C-N 3.33Å; E532-L534 VanDerWaalsContact C-N 3.34Å; E532-L534 PolarHBondContact O-N 2.91Å; E532-R535 PolarHBondContact O-N 3.47Å; E532-N536 WeakPolarHBondContact O-CB 3.41Å; E532-N536 VanDerWaalsContact O-CG 3.27Å; E532-N536 PolarHBondContact O-N 3.41Å; E532-N536 PolarHBondContact O-ND2 3.48Å
533	A	66.2	Low	60	Low	49 Å²	49	103.6 Å²	103.6	41%	0.405	58%	0.583	S	S	.	*	H	α-helix	trans	-58.9	-43.9	171	0	0	0	0	0	111.9	E529 Q530 N536 L537	E529-A533 WeakPolarHBondContact O-CB 3.32Å; E529-A533 PolarHBondContact O-N 2.83Å; Q530-A533 PolarHBondContact O-N 2.92Å; A533-N536 PolarHBondContact O-N 3.49Å; A533-L537 PolarHBondContact O-N 2.82Å
534	L	64.1	Low	58.5	Low	100 Å²	100	107.1 Å²	107.1	52%	0.524	61%	0.606	S	S	.	*	H	α-helix	trans	-64.4	-39.8	175.9	-75.9	167.5	0	0	0	112.5	Q530 N531 E532 L537 A538	Q530-L534 WeakPolarHBondContact O-CB 3.19Å; Q530-L534 WeakPolarHBondContact O-CG 3.46Å; Q530-L534 PolarHBondContact O-N 2.83Å; N531-L534 PolarHBondContact O-N 2.86Å; E532-L534 VanDerWaalsContact C-N 3.34Å; E532-L534 PolarHBondContact O-N 2.91Å; L534-L537 WeakPolarHBondContact O-CB 3.28Å; L534-L537 PolarHBondContact O-N 2.86Å; L534-A538 WeakPolarHBondContact O-CB 3.24Å; L534-A538 PolarHBondContact O-N 2.93Å
535	R	70.3	Confident	56.5	Low	184 Å²	184	108.8 Å²	108.8	69%	0.694	62%	0.623	S	S	*	*	H	α-helix	trans	-65.6	-40.4	175	-79	178.9	177.3	-168.3	-0.4	112.5	N531 E532 L537 A538 N539	N531-R535 WeakPolarHBondContact O-CB 3.47Å; N531-R535 WeakPolarHBondContact O-CG 3.17Å; N531-R535 PolarHBondContact O-N 3.05Å; E532-R535 PolarHBondContact O-N 3.47Å; R535-L537 VanDerWaalsContact C-N 3.3Å; R535-L537 PolarHBondContact O-N 3.23Å; R535-A538 PolarHBondContact O-N 2.91Å; R535-N539 WeakPolarHBondContact O-CB 3.29Å; R535-N539 PolarHBondContact O-N 2.8Å
536	N	65.7	Low	54.3	Low	110 Å²	110	112.5 Å²	112.5	59%	0.588	64%	0.643	S	S	*	*	H	α-helix	trans	-65.5	-35.9	176.2	-71	-26.9	0	0	0	111.6	E532 A533 G540	E532-N536 WeakPolarHBondContact O-CB 3.41Å; E532-N536 VanDerWaalsContact O-CG 3.27Å; E532-N536 PolarHBondContact O-N 3.41Å; E532-N536 PolarHBondContact O-ND2 3.48Å; A533-N536 PolarHBondContact O-N 3.49Å; N536-G540 PolarHBondContact O-N 3.29Å
537	L	60.1	Low	52.4	Low	142 Å²	142	113.9 Å²	113.9	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-66.2	-41.2	170.6	-101.9	132.2	0	0	0	112.4	A533 L534 R535	A533-L537 PolarHBondContact O-N 2.82Å; L534-L537 WeakPolarHBondContact O-CB 3.28Å; L534-L537 PolarHBondContact O-N 2.86Å; R535-L537 VanDerWaalsContact C-N 3.3Å; R535-L537 PolarHBondContact O-N 3.23Å
538	A	58.1	Low	50.2	Low	71 Å²	71	115.6 Å²	115.6	59%	0.587	68%	0.678	S	S	*	*	H	α-helix	trans	-71.1	-37	-178.8	0	0	0	0	0	113.4	L534 R535 G540	L534-A538 WeakPolarHBondContact O-CB 3.24Å; L534-A538 PolarHBondContact O-N 2.93Å; R535-A538 PolarHBondContact O-N 2.91Å; A538-G540 VanDerWaalsContact C-N 3.33Å
539	N	55	Low	47.9	Very low	141 Å²	141	114.3 Å²	114.3	75%	0.754	68%	0.682	S	S	*	*	H	α-helix	trans	-81.3	-10.7	179.8	-73.5	-12.2	0	0	0	113.6	R535 G541	R535-N539 WeakPolarHBondContact O-CB 3.29Å; R535-N539 PolarHBondContact O-N 2.8Å; N539-G541 PolarHBondContact O-N 3.11Å
540	G	41.6	Very low	45.4	Very low	72 Å²	72	113.9 Å²	113.9	74%	0.742	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	4.4	176.7	0	0	0	0	0	114.8	N536 A538	N536-G540 PolarHBondContact O-N 3.29Å; A538-G540 VanDerWaalsContact C-N 3.33Å
541	G	33	Very low	43.5	Very low	60 Å²	60	117.5 Å²	117.5	62%	0.619	71%	0.705	S	S	*	*	S	Bend	trans	-137.3	51.8	-165	0	0	0	0	0	115.8	N539	N539-G541 PolarHBondContact O-N 3.11Å
542	S	30.6	Very low	41.7	Very low	109 Å²	109	116.7 Å²	116.7	76%	0.762	72%	0.72	S	S	*	*			trans	-172.1	117.4	155.9	55.4	0	0	0	0	113
543	S	31.3	Very low	39.6	Very low	121 Å²	121	117.7 Å²	117.7	85%	0.846	73%	0.734	S	S	*	*			trans	138.1	112.1	139.8	75.5	0	0	0	0	112.5
544	S	26.7	Very low	37.8	Very low	106 Å²	106	120.1 Å²	120.1	74%	0.741	75%	0.748	S	S	*	*			trans	-59.1	162.9	170.4	44.9	0	0	0	0	114.9
545	S	26	Very low	36.4	Very low	103 Å²	103	118.5 Å²	118.5	72%	0.72	75%	0.745	S	S	*	*			trans	77.6	122.2	150.5	32.2	0	0	0	0	120
546	E	25	Very low	34.8	Very low	200 Å²	200	115.6 Å²	115.6	94%	0.935	75%	0.75	S	S	*	*			trans	78.7	129	152.1	-63.7	-176.6	167.4	0	0	120
547	G	25.3	Very low	33.2	Very low	80 Å²	80	116.6 Å²	116.6	83%	0.825	76%	0.755	S	S	*	*			trans	129.7	108.7	153.5	0	0	0	0	0	115.6
548	V	23	Very low	32.3	Very low	141 Å²	141	112.8 Å²	112.8	86%	0.855	74%	0.74	S	S	*	*			trans	-66.3	157.5	179.3	-173.4	0	0	0	0	112.7
549	I	23.3	Very low	31.3	Very low	150 Å²	150	111.6 Å²	111.6	77%	0.769	74%	0.735	S	S	*	*			trans	112.4	118	155	-53	179.3	0	0	0	115.9
550	S	23.3	Very low	30.3	Very low	104 Å²	104	112.8 Å²	112.8	73%	0.727	73%	0.733	S	S	*	*			trans	-41.4	128.2	170.1	60	0	0	0	0	115.8
551	K	26.3	Very low	30.2	Very low	205 Å²	205	116 Å²	116	89%	0.891	73%	0.727	S	S	*	*			trans	-138.7	131.2	139.9	-78.2	-168.4	178.1	172.7	0	109.3
552	G	27.1	Very low	30.7	Very low	79 Å²	79	119.9 Å²	119.9	81%	0.814	73%	0.727	S	S	*	*			trans	-59.5	137.8	-167	0	0	0	0	0	114.3	S554	G552-S554 PolarHBondContact O-N 3.06Å; G552-S554 VanDerWaalsContact O-N 3.15Å
553	V	29.8	Very low	31	Very low	145 Å²	145	120 Å²	120	88%	0.879	72%	0.718	S	S	*	*			trans	-69.1	103.6	163.5	180	0	0	0	0	106.9	S555	V553-S555 PolarHBondContact O-N 3.16Å
554	S	28.6	Very low	31.4	Very low	99 Å²	99	122 Å²	122	69%	0.692	71%	0.708	S	S	*	*			trans	-59	123.7	171.1	56.3	0	0	0	0	109.2	G552	G552-S554 PolarHBondContact O-N 3.06Å; G552-S554 VanDerWaalsContact O-N 3.15Å
555	S	33.6	Very low	32.3	Very low	66 Å²	66	121.7 Å²	121.7	46%	0.462	70%	0.695	S	S	.	*			trans	-63.2	165.2	-176.1	80.1	0	0	0	0	113.1	V553 L557 S558	V553-S555 PolarHBondContact O-N 3.16Å; S555-L557 PolarHBondContact O-N 3.41Å; S555-S558 PolarHBondContact O-N 3.35Å
556	P	36.9	Very low	33.1	Very low	123 Å²	123	120.1 Å²	120.1	80%	0.799	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	2.4	-173.8	-20.8	32.7	0	0	0	116.3	S558 G559	P556-S558 PolarHBondContact O-N 3.19Å; P556-G559 PolarHBondContact O-N 3.28Å
557	L	33.6	Very low	33.6	Very low	131 Å²	131	115.7 Å²	115.7	69%	0.686	67%	0.666	S	S	*	*	H	α-helix	trans	-66.3	-21.8	175.6	-78.5	157.6	0	0	0	113.2	S555 G559 K561	S555-L557 PolarHBondContact O-N 3.41Å; L557-G559 PolarHBondContact O-N 3.29Å; L557-K561 PolarHBondContact O-N 3.17Å
558	S	41.1	Very low	34.1	Very low	63 Å²	63	116.8 Å²	116.8	44%	0.441	65%	0.653	S	S	.	*	H	α-helix	trans	-65.5	-35.3	178	-175.1	0	0	0	0	113.1	S555 P556 K561 K562	S555-S558 PolarHBondContact O-N 3.35Å; P556-S558 PolarHBondContact O-N 3.19Å; S558-K561 PolarHBondContact O-N 2.89Å; S558-K562 PolarHBondContact O-N 2.8Å; S558-K562 VanDerWaalsContact O-N 3.1Å
559	G	36.8	Very low	34.7	Very low	46 Å²	46	120.3 Å²	120.3	47%	0.474	65%	0.651	S	S	.	*	H	α-helix	trans	-66.2	-42.5	179.9	0	0	0	0	0	113	P556 L557 K561 K562 L563	P556-G559 PolarHBondContact O-N 3.28Å; L557-G559 PolarHBondContact O-N 3.29Å; G559-K561 VanDerWaalsContact C-N 3.35Å; G559-K561 PolarHBondContact O-N 2.82Å; G559-K562 PolarHBondContact O-N 3.39Å; G559-L563 WeakPolarHBondContact O-CB 3.39Å; G559-L563 PolarHBondContact O-N 3.1Å; G559-L563 VanDerWaalsContact O-N 3.12Å
560	K	33.1	Very low	35.2	Very low	166 Å²	166	122.3 Å²	122.3	72%	0.722	65%	0.654	S	S	*	*	H	α-helix	trans	-65.6	-36.7	176.1	-78.6	-174.6	176.3	-179.9	0	112.3	L563 Y564	K560-L563 PolarHBondContact O-N 3.05Å; K560-Y564 WeakPolarHBondContact O-CB 3.47Å; K560-Y564 PolarHBondContact O-N 3.42Å
561	K	40.8	Very low	35.6	Very low	139 Å²	139	126.7 Å²	126.7	60%	0.604	66%	0.66	S	S	*	*	H	α-helix	trans	-67.7	-42.7	178.4	-163.9	176.8	179.9	-177.2	0	112.1	L557 S558 G559 L563 Y564 E565	L557-K561 PolarHBondContact O-N 3.17Å; S558-K561 PolarHBondContact O-N 2.89Å; G559-K561 VanDerWaalsContact C-N 3.35Å; G559-K561 PolarHBondContact O-N 2.82Å; K561-L563 VanDerWaalsContact C-N 3.32Å; K561-L563 PolarHBondContact O-N 3.18Å; K561-Y564 PolarHBondContact O-N 3.49Å; K561-E565 VanDerWaalsContact CE-OE1 3.28Å; K561-E565 WeakPolarHBondContact CE-OE1 3.17Å; K561-E565 WeakPolarHBondContact O-CB 3.39Å; K561-E565 WeakPolarHBondContact O-CG 3.33Å; K561-E565 PolarHBondContact O-N 3.02Å
562	K	43	Very low	35.6	Very low	141 Å²	141	119.8 Å²	119.8	61%	0.613	65%	0.647	S	S	*	*	H	α-helix	trans	-63.8	-35.2	174.1	-79.5	-174.4	176.3	-179	0	113.2	S558 G559 S566	S558-K562 PolarHBondContact O-N 2.8Å; S558-K562 VanDerWaalsContact O-N 3.1Å; G559-K562 PolarHBondContact O-N 3.39Å; K562-S566 VanDerWaalsContact O-CB 3.31Å; K562-S566 WeakPolarHBondContact O-CB 3.09Å; K562-S566 PolarHBondContact O-N 3.49Å; K562-S566 PolarHBondContact O-OG 3.33Å
563	L	37.3	Very low	35.7	Very low	111 Å²	111	119.4 Å²	119.4	58%	0.581	64%	0.643	S	S	*	*	H	α-helix	trans	-68.6	-42.2	176.6	-143.3	160.9	0	0	0	110.8	G559 K560 K561 L567	G559-L563 WeakPolarHBondContact O-CB 3.39Å; G559-L563 PolarHBondContact O-N 3.1Å; G559-L563 VanDerWaalsContact O-N 3.12Å; K560-L563 PolarHBondContact O-N 3.05Å; K561-L563 VanDerWaalsContact C-N 3.32Å; K561-L563 PolarHBondContact O-N 3.18Å; L563-L567 HydrophobicContact CD2-CD1 3.63Å; L563-L567 HydrophobicContact CD2-CG 4.43Å; L563-L567 WeakPolarHBondContact O-CB 3.3Å; L563-L567 WeakPolarHBondContact O-CG 3.48Å; L563-L567 PolarHBondContact O-N 3.34Å
564	Y	38.4	Very low	35.5	Very low	164 Å²	164	121.9 Å²	121.9	64%	0.643	65%	0.645	S	S	*	*	H	α-helix	trans	-66.6	-43.3	174.8	-163.3	-106.9	0	0	0	112.2	K560 K561 L567 L568	K560-Y564 WeakPolarHBondContact O-CB 3.47Å; K560-Y564 PolarHBondContact O-N 3.42Å; K561-Y564 PolarHBondContact O-N 3.49Å; Y564-L567 PolarHBondContact O-N 3.47Å; Y564-L568 HydrophobicContact CD1-CD1 3.37Å; Y564-L568 HydrophobicContact CE1-CD1 3.24Å; Y564-L568 HydrophobicContact CG-CD1 4.18Å; Y564-L568 WeakPolarHBondContact O-CB 3.35Å; Y564-L568 WeakPolarHBondContact O-CD1 3.38Å; Y564-L568 PolarHBondContact O-N 3.13Å
565	E	45.5	Very low	35.4	Very low	99 Å²	99	126.4 Å²	126.4	46%	0.463	66%	0.655	S	S	.	*	H	α-helix	trans	-67	-35.1	176.9	-75.1	175.9	-173.9	0	0	112.9	K561 L568 R569	K561-E565 VanDerWaalsContact CE-OE1 3.28Å; K561-E565 WeakPolarHBondContact CE-OE1 3.17Å; K561-E565 WeakPolarHBondContact O-CB 3.39Å; K561-E565 WeakPolarHBondContact O-CG 3.33Å; K561-E565 PolarHBondContact O-N 3.02Å; E565-L568 PolarHBondContact O-N 3.31Å; E565-R569 PolarHBondContact O-N 3.04Å
566	S	42.6	Very low	35	Very low	70 Å²	70	131.9 Å²	131.9	49%	0.49	67%	0.674	S	S	.	*	H	α-helix	trans	-70.1	-37.8	174.2	-62.4	0	0	0	0	112	K562 L568 R569 F570	K562-S566 VanDerWaalsContact O-CB 3.31Å; K562-S566 WeakPolarHBondContact O-CB 3.09Å; K562-S566 PolarHBondContact O-N 3.49Å; K562-S566 PolarHBondContact O-OG 3.33Å; S566-L568 VanDerWaalsContact C-N 3.34Å; S566-R569 PolarHBondContact O-N 2.71Å; S566-F570 PolarHBondContact O-N 3.04Å
567	L	35.5	Very low	34.4	Very low	108 Å²	108	132.8 Å²	132.8	57%	0.565	68%	0.676	S	S	*	*	H	α-helix	trans	-66.6	-34.7	172.4	-84	161.9	0	0	0	112.4	L563 Y564 F570	L563-L567 HydrophobicContact CD2-CD1 3.63Å; L563-L567 HydrophobicContact CD2-CG 4.43Å; L563-L567 WeakPolarHBondContact O-CB 3.3Å; L563-L567 WeakPolarHBondContact O-CG 3.48Å; L563-L567 PolarHBondContact O-N 3.34Å; Y564-L567 PolarHBondContact O-N 3.47Å; L567-F570 PolarHBondContact O-N 3.41Å
568	L	36	Very low	34.1	Very low	103 Å²	103	130.2 Å²	130.2	54%	0.539	68%	0.682	S	S	.	*	H	α-helix	trans	-68.4	-36.7	173.2	-96.9	137.3	0	0	0	112.4	Y564 E565 S566 F570 K571	Y564-L568 HydrophobicContact CD1-CD1 3.37Å; Y564-L568 HydrophobicContact CE1-CD1 3.24Å; Y564-L568 HydrophobicContact CG-CD1 4.18Å; Y564-L568 WeakPolarHBondContact O-CB 3.35Å; Y564-L568 WeakPolarHBondContact O-CD1 3.38Å; Y564-L568 PolarHBondContact O-N 3.13Å; E565-L568 PolarHBondContact O-N 3.31Å; S566-L568 VanDerWaalsContact C-N 3.34Å; L568-F570 VanDerWaalsContact C-N 3.34Å; L568-F570 PolarHBondContact O-N 3.1Å; L568-K571 PolarHBondContact O-N 3.44Å
569	R	35.9	Very low	33.3	Very low	215 Å²	215	136.3 Å²	136.3	81%	0.811	70%	0.703	S	S	*	*	H	α-helix	trans	-67.3	-31.9	174.8	-80.3	-178.9	133	179.1	-3.7	113.3	E565 S566 K571 G572	E565-R569 PolarHBondContact O-N 3.04Å; S566-R569 PolarHBondContact O-N 2.71Å; R569-K571 PolarHBondContact O-N 3.45Å; R569-G572 PolarHBondContact O-N 2.8Å
570	F	33.4	Very low	32.6	Very low	191 Å²	191	145.9 Å²	145.9	84%	0.838	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-11.1	176.7	-102.1	-87.3	0	0	0	114.5	S566 L567 L568	S566-F570 PolarHBondContact O-N 3.04Å; L567-F570 PolarHBondContact O-N 3.41Å; L568-F570 VanDerWaalsContact C-N 3.34Å; L568-F570 PolarHBondContact O-N 3.1Å
571	K	31.7	Very low	32.2	Very low	197 Å²	197	144 Å²	144	86%	0.857	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	2.1	173.5	-82.3	-168.1	172.4	-174.5	0	114.5	L568 R569	L568-K571 PolarHBondContact O-N 3.44Å; R569-K571 PolarHBondContact O-N 3.45Å
572	G	26.2	Very low	31.4	Very low	59 Å²	59	142.7 Å²	142.7	61%	0.608	74%	0.738	S	S	*	*			trans	-96.8	25.2	-177.6	0	0	0	0	0	115.5	R569 E574	R569-G572 PolarHBondContact O-N 2.8Å; G572-E574 PolarHBondContact O-N 3.06Å
573	G	29.4	Very low	30.4	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	75%	0.752	S	S	*	*			trans	-74	106.2	176.5	0	0	0	0	0	111.1	Q575	G573-Q575 PolarHBondContact O-N 3.15Å
574	E	25.3	Very low	30	Very low	196 Å²	196	147 Å²	147	92%	0.916	77%	0.769	S	S	*	*			trans	-51	115.4	178.2	-61.8	170.6	149	0	0	112.2	G572	G572-E574 PolarHBondContact O-N 3.06Å
575	Q	27.5	Very low	29.3	Very low	194 Å²	194	144.7 Å²	144.7	91%	0.907	78%	0.776	S	S	*	*			trans	-144.9	123.8	153.7	-140.6	170.1	22.9	0	0	109.6	G573	G573-Q575 PolarHBondContact O-N 3.15Å
576	E	25.5	Very low	28.4	Very low	181 Å²	181	151.5 Å²	151.5	85%	0.846	80%	0.798	S	S	*	*			trans	-62.3	139.1	-170	-75.2	174	130.1	0	0	114.6
577	V	24	Very low	27.6	Very low	142 Å²	142	156.3 Å²	156.3	86%	0.861	82%	0.817	S	S	*	*			trans	46.9	97.3	135.2	-166.9	0	0	0	0	117.7
578	G	26.8	Very low	27.2	Very low	77 Å²	77	156.4 Å²	156.4	79%	0.794	82%	0.824	S	S	*	*			trans	-160.8	111.3	158.4	0	0	0	0	0	109.8
579	E	25	Very low	26.9	Very low	191 Å²	191	157.3 Å²	157.3	89%	0.893	84%	0.836	S	S	*	*			trans	-19.9	134.2	-173.9	-68.1	173.7	151.7	0	0	120.7
580	R	22.1	Very low	26.6	Very low	247 Å²	247	157 Å²	157	93%	0.932	84%	0.844	S	S	*	*			trans	-69.9	134.2	170.6	-81.9	174.7	165	175	-4	112.4
581	P	24.1	Very low	26.5	Very low	127 Å²	127	150.7 Å²	150.7	83%	0.825	83%	0.833	S	S	*	*			trans	-95.8	120	146.8	-2.7	22.3	0	0	0	110.1
582	S	23.2	Very low	26.5	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	83%	0.831	S	S	*	*			trans	-77.5	112.5	172.9	50.9	0	0	0	0	111.4
583	F	23.4	Very low	26.9	Very low	204 Å²	204	153.3 Å²	153.3	90%	0.895	84%	0.841	S	S	*	*			trans	-163.7	76.5	150.8	-148.5	-99.6	0	0	0	112.5
584	C	27.5	Very low	27.1	Very low	139 Å²	139	158.5 Å²	158.5	94%	0.939	84%	0.843	S	S	*	*			trans	-169.8	60.7	156	-116.1	0	0	0	0	110.6
585	S	25.1	Very low	28.3	Very low	115 Å²	115	154.2 Å²	154.2	80%	0.804	83%	0.826	S	S	*	*			trans	-122.9	83.9	167.1	56.9	0	0	0	0	108.3
586	R	25.9	Very low	29.4	Very low	242 Å²	242	147.6 Å²	147.6	91%	0.913	80%	0.801	S	S	*	*			trans	-166.6	66.3	162.7	-106.4	172.2	-167.8	173.5	4	109.1
587	L	25.4	Very low	31.2	Very low	171 Å²	171	142.8 Å²	142.8	90%	0.895	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.8	125	145.6	-84.2	161.3	0	0	0	105.7
588	P	28.4	Very low	32.6	Very low	109 Å²	109	143.5 Å²	143.5	71%	0.708	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.8	145.3	-179.2	27.5	-31.2	0	0	0	109.8
589	P	28.6	Very low	33.9	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-68.4	151.4	-172.6	29.5	-34.1	0	0	0	111.2	G591	P589-G591 PolarHBondContact O-N 3.19Å
590	E	30.1	Very low	35.7	Very low	210 Å²	210	137.4 Å²	137.4	98%	0.981	74%	0.743	S	S	*	*			trans	-36.6	91.8	177.1	-62.2	174.1	163.7	0	0	113.2
591	G	31.7	Very low	37.9	Very low	58 Å²	58	133.3 Å²	133.3	60%	0.598	73%	0.732	S	S	*	*			trans	-121.6	111.5	164.9	0	0	0	0	0	106.9	P589 V593	P589-G591 PolarHBondContact O-N 3.19Å; G591-V593 PolarHBondContact O-N 2.87Å
592	E	31.5	Very low	39.4	Very low	175 Å²	175	130.3 Å²	130.3	82%	0.818	72%	0.718	S	S	*	*			trans	-44.8	114.9	175.1	-71.5	177.2	146.1	0	0	110.2	K594	E592-K594 VanDerWaalsContact C-N 3.28Å; E592-K594 PolarHBondContact O-N 2.84Å
593	V	34.5	Very low	41.2	Very low	135 Å²	135	131.7 Å²	131.7	82%	0.818	71%	0.707	S	S	*	*			trans	-67.8	92.1	172.7	179.3	0	0	0	0	106.9	G591 L595	G591-V593 PolarHBondContact O-N 2.87Å; V593-L595 PolarHBondContact O-N 2.81Å; V593-L595 VanDerWaalsContact O-N 3.16Å
594	K	32.6	Very low	43.1	Very low	182 Å²	182	127.3 Å²	127.3	79%	0.791	69%	0.687	S	S	*	*			trans	-65.2	112.2	169.8	-74.7	-175.9	176.9	180	0	108.1	E592	E592-K594 VanDerWaalsContact C-N 3.28Å; E592-K594 PolarHBondContact O-N 2.84Å
595	L	51.2	Low	44.7	Very low	105 Å²	105	123.4 Å²	123.4	55%	0.55	66%	0.662	S	S	.	*			trans	-54.5	144.1	167.1	-74.7	165	0	0	0	109.2	V593	V593-L595 PolarHBondContact O-N 2.81Å; V593-L595 VanDerWaalsContact O-N 3.16Å
596	S	50.5	Low	45.9	Very low	55 Å²	55	124 Å²	124	39%	0.385	65%	0.654	S	S	.	*			trans	-60.6	152.1	173.9	75.6	0	0	0	0	110.1	E598 S599 E600	S596-E598 PolarHBondContact O-N 2.92Å; S596-E598 VanDerWaalsContact O-N 3.08Å; S596-S599 WeakPolarHBondContact O-CA 3.27Å; S596-S599 WeakPolarHBondContact O-CB 3.31Å; S596-S599 PolarHBondContact O-N 3.24Å; S596-S599 PolarHBondContact OG-N 2.95Å; S596-S599 PolarHBondContact OG-OG 3.09Å; S596-E600 PolarHBondContact O-N 2.93Å
597	A	63.3	Low	47.4	Very low	81 Å²	81	115.1 Å²	115.1	67%	0.669	63%	0.626	S	S	*	*	H	α-helix	trans	-54.9	-31.3	179.9	0	0	0	0	0	112.9	K601	A597-K601 VanDerWaalsContact O-CB 3.28Å; A597-K601 WeakPolarHBondContact O-CB 3.49Å; A597-K601 PolarHBondContact O-N 2.85Å
598	E	54	Low	48.7	Very low	156 Å²	156	113.6 Å²	113.6	73%	0.729	61%	0.614	S	S	*	*	H	α-helix	trans	-70.1	-40.4	174.3	-67.5	135.9	164.9	0	0	112.3	S596 K601 A602	S596-E598 PolarHBondContact O-N 2.92Å; S596-E598 VanDerWaalsContact O-N 3.08Å; E598-K601 PolarHBondContact O-N 3.3Å; E598-A602 WeakPolarHBondContact O-CB 3.43Å; E598-A602 PolarHBondContact O-N 3.49Å
599	S	53	Low	49.5	Very low	51 Å²	51	115.5 Å²	115.5	36%	0.357	61%	0.614	S	S	.	*	H	α-helix	trans	-67.8	-39.6	176.8	-50	0	0	0	0	111.2	S596 A602 Y603	S596-S599 WeakPolarHBondContact O-CA 3.27Å; S596-S599 WeakPolarHBondContact O-CB 3.31Å; S596-S599 PolarHBondContact O-N 3.24Å; S596-S599 PolarHBondContact OG-N 2.95Å; S596-S599 PolarHBondContact OG-OG 3.09Å; S599-A602 PolarHBondContact O-N 3.47Å; S599-Y603 WeakPolarHBondContact O-CB 3.48Å; S599-Y603 PolarHBondContact O-N 2.94Å
600	E	63.7	Low	49.9	Very low	89 Å²	89	112.5 Å²	112.5	42%	0.416	61%	0.605	S	S	.	*	H	α-helix	trans	-68.5	-38.5	176.4	-155.8	-168.1	149.8	0	0	111.4	S596 Y603 K604	S596-E600 PolarHBondContact O-N 2.93Å; E600-Y603 PolarHBondContact O-N 3.24Å; E600-K604 WeakPolarHBondContact O-CB 3.49Å; E600-K604 PolarHBondContact O-N 3.26Å; E600-K604 IonicContact OE1-NZ 3.92Å; E600-K604 PolarHBondContact OE1-NZ 2.87Å
601	K	67.6	Low	50.1	Low	162 Å²	162	108.4 Å²	108.4	70%	0.704	59%	0.589	S	S	*	*	H	α-helix	trans	-65.3	-42.2	173.2	-172.5	178.5	-179.4	-178.5	0	111.9	A597 E598 K604 S605	A597-K601 VanDerWaalsContact O-CB 3.28Å; A597-K601 WeakPolarHBondContact O-CB 3.49Å; A597-K601 PolarHBondContact O-N 2.85Å; E598-K601 PolarHBondContact O-N 3.3Å; K601-K604 PolarHBondContact O-N 3.36Å; K601-S605 VanDerWaalsContact O-CB 3.27Å; K601-S605 WeakPolarHBondContact O-CB 3.28Å; K601-S605 PolarHBondContact O-N 3.15Å
602	A	57.1	Low	50.2	Low	64 Å²	64	109.5 Å²	109.5	53%	0.529	59%	0.592	S	S	.	*	H	α-helix	trans	-64.2	-42.1	175.9	0	0	0	0	0	111.6	E598 S599 M606	E598-A602 WeakPolarHBondContact O-CB 3.43Å; E598-A602 PolarHBondContact O-N 3.49Å; S599-A602 PolarHBondContact O-N 3.47Å; A602-M606 VanDerWaalsContact O-CB 3.3Å; A602-M606 WeakPolarHBondContact O-CB 3.33Å; A602-M606 PolarHBondContact O-N 3.28Å
603	Y	60	Low	50.1	Low	140 Å²	140	106.6 Å²	106.6	55%	0.549	59%	0.59	S	S	.	*	H	α-helix	trans	-66.7	-45	175.9	-172.8	-96.9	0	0	0	112.1	S599 E600 S605 M606 V607	S599-Y603 WeakPolarHBondContact O-CB 3.48Å; S599-Y603 PolarHBondContact O-N 2.94Å; E600-Y603 PolarHBondContact O-N 3.24Å; Y603-S605 PolarHBondContact O-N 3.33Å; Y603-M606 HydrophobicContact CD2-CE 3.86Å; Y603-M606 HydrophobicContact CE2-CE 4.19Å; Y603-M606 PolarHBondContact O-N 3.33Å; Y603-V607 HydrophobicContact CD1-CG2 4.05Å; Y603-V607 HydrophobicContact CE1-CG2 3.69Å; Y603-V607 HydrophobicContact CE2-CG2 4.38Å; Y603-V607 VanDerWaalsContact O-CG2 3.3Å; Y603-V607 WeakPolarHBondContact O-CG2 3.41Å; Y603-V607 PolarHBondContact O-N 3.31Å
604	K	63.2	Low	49.8	Very low	112 Å²	112	105.6 Å²	105.6	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-60.9	-43.6	175.1	-85.8	173.9	170.9	153.5	0	112.1	E600 K601 M606 V607 E608	E600-K604 WeakPolarHBondContact O-CB 3.49Å; E600-K604 PolarHBondContact O-N 3.26Å; E600-K604 IonicContact OE1-NZ 3.92Å; E600-K604 PolarHBondContact OE1-NZ 2.87Å; K601-K604 PolarHBondContact O-N 3.36Å; K604-M606 VanDerWaalsContact C-N 3.35Å; K604-M606 PolarHBondContact O-N 3.03Å; K604-V607 PolarHBondContact O-N 2.98Å; K604-E608 WeakPolarHBondContact O-CB 3.41Å; K604-E608 WeakPolarHBondContact O-CG 3.47Å; K604-E608 PolarHBondContact O-N 3.12Å
605	S	61.6	Low	49.4	Very low	58 Å²	58	102 Å²	102	41%	0.406	59%	0.585	S	S	.	*	H	α-helix	trans	-61.9	-41.4	174.8	175.7	0	0	0	0	112	K601 Y603 V607 E609	K601-S605 VanDerWaalsContact O-CB 3.27Å; K601-S605 WeakPolarHBondContact O-CB 3.28Å; K601-S605 PolarHBondContact O-N 3.15Å; Y603-S605 PolarHBondContact O-N 3.33Å; S605-V607 PolarHBondContact O-N 3.43Å; S605-E609 WeakPolarHBondContact O-CB 3.39Å; S605-E609 WeakPolarHBondContact O-CG 3.35Å; S605-E609 PolarHBondContact O-N 2.93Å
606	M	49.4	Very low	48.3	Very low	128 Å²	128	102 Å²	102	63%	0.631	60%	0.601	S	S	*	*	H	α-helix	trans	-67.4	-34.6	177.6	-170.4	175.2	64.3	0	0	112.7	A602 Y603 K604 G610	A602-M606 VanDerWaalsContact O-CB 3.3Å; A602-M606 WeakPolarHBondContact O-CB 3.33Å; A602-M606 PolarHBondContact O-N 3.28Å; Y603-M606 HydrophobicContact CD2-CE 3.86Å; Y603-M606 HydrophobicContact CE2-CE 4.19Å; Y603-M606 PolarHBondContact O-N 3.33Å; K604-M606 VanDerWaalsContact C-N 3.35Å; K604-M606 PolarHBondContact O-N 3.03Å; M606-G610 PolarHBondContact O-N 3.49Å; M606-G610 VanDerWaalsContact O-N 3.09Å
607	V	57.8	Low	47.1	Very low	55 Å²	55	104.6 Å²	104.6	33%	0.333	62%	0.619	S	S	.	*	H	α-helix	trans	-76.4	-40.9	176.7	174.7	0	0	0	0	111.3	Y603 K604 S605 G610 L611	Y603-V607 HydrophobicContact CD1-CG2 4.05Å; Y603-V607 HydrophobicContact CE1-CG2 3.69Å; Y603-V607 HydrophobicContact CE2-CG2 4.38Å; Y603-V607 VanDerWaalsContact O-CG2 3.3Å; Y603-V607 WeakPolarHBondContact O-CG2 3.41Å; Y603-V607 PolarHBondContact O-N 3.31Å; K604-V607 PolarHBondContact O-N 2.98Å; S605-V607 PolarHBondContact O-N 3.43Å; V607-G610 PolarHBondContact O-N 3.4Å; V607-L611 HydrophobicContact CG1-CD1 3.81Å; V607-L611 WeakPolarHBondContact O-CB 3.3Å; V607-L611 PolarHBondContact O-N 3.1Å; V607-L611 VanDerWaalsContact O-N 3.1Å
608	E	52.9	Low	45.2	Very low	139 Å²	139	108.4 Å²	108.4	65%	0.65	63%	0.628	S	S	*	*	H	α-helix	trans	-70	-42.2	178.6	-76.6	177.9	172.8	0	0	112.3	K604 G610 L611 A612	K604-E608 WeakPolarHBondContact O-CB 3.41Å; K604-E608 WeakPolarHBondContact O-CG 3.47Å; K604-E608 PolarHBondContact O-N 3.12Å; E608-G610 VanDerWaalsContact C-N 3.33Å; E608-L611 PolarHBondContact O-N 3.48Å; E608-A612 WeakPolarHBondContact O-CB 3.41Å; E608-A612 PolarHBondContact O-N 3.36Å
609	E	46	Very low	43.9	Very low	149 Å²	149	107 Å²	107	70%	0.696	64%	0.635	S	S	*	*	H	α-helix	trans	-71.9	-29	174.2	-68.5	-158.3	175.1	0	0	112.5	S605	S605-E609 WeakPolarHBondContact O-CB 3.39Å; S605-E609 WeakPolarHBondContact O-CG 3.35Å; S605-E609 PolarHBondContact O-N 2.93Å
610	G	35.8	Very low	42.4	Very low	59 Å²	59	108.9 Å²	108.9	61%	0.608	65%	0.654	S	S	*	*	H	α-helix	trans	-72.2	-23.8	175.4	0	0	0	0	0	114.6	M606 V607 E608	M606-G610 PolarHBondContact O-N 3.49Å; M606-G610 VanDerWaalsContact O-N 3.09Å; V607-G610 PolarHBondContact O-N 3.4Å; E608-G610 VanDerWaalsContact C-N 3.33Å
611	L	35.1	Very low	40.5	Very low	123 Å²	123	114.1 Å²	114.1	64%	0.644	68%	0.676	S	S	*	*	H	α-helix	trans	-102.1	-20.8	179.7	-88.4	141.2	0	0	0	113.8	V607 E608 C613 C614	V607-L611 HydrophobicContact CG1-CD1 3.81Å; V607-L611 WeakPolarHBondContact O-CB 3.3Å; V607-L611 PolarHBondContact O-N 3.1Å; V607-L611 VanDerWaalsContact O-N 3.1Å; E608-L611 PolarHBondContact O-N 3.48Å; L611-C613 VanDerWaalsContact C-N 3.26Å; L611-C613 PolarHBondContact O-N 3.37Å; L611-C614 PolarHBondContact O-N 3.46Å
612	A	33.3	Very low	38.3	Very low	81 Å²	81	111.4 Å²	111.4	67%	0.669	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-14.1	-179.9	0	0	0	0	0	114.6	E608	E608-A612 WeakPolarHBondContact O-CB 3.41Å; E608-A612 PolarHBondContact O-N 3.36Å
613	C	29.3	Very low	36.7	Very low	115 Å²	115	114.4 Å²	114.4	78%	0.777	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	8	179.2	-71	0	0	0	0	115	L611	L611-C613 VanDerWaalsContact C-N 3.26Å; L611-C613 PolarHBondContact O-N 3.37Å
614	C	27.4	Very low	34.8	Very low	114 Å²	114	116.1 Å²	116.1	77%	0.77	71%	0.706	S	S	*	*	S	Bend	trans	-137.9	45.6	-177.3	-75.3	0	0	0	0	113.8	L611	L611-C614 PolarHBondContact O-N 3.46Å
615	S	25.4	Very low	33.5	Very low	105 Å²	105	115.4 Å²	115.4	73%	0.734	71%	0.712	S	S	*	*			trans	-168.3	83.3	161.4	57.5	0	0	0	0	112.8
616	A	27.5	Very low	31.7	Very low	107 Å²	107	122.8 Å²	122.8	88%	0.884	74%	0.737	S	S	*	*			trans	-158.3	63.9	159.6	0	0	0	0	0	110.3
617	S	25.5	Very low	30.3	Very low	108 Å²	108	122.7 Å²	122.7	76%	0.755	74%	0.744	S	S	*	*			trans	-137	77.1	168	61.1	0	0	0	0	108.5
618	D	24	Very low	28.6	Very low	162 Å²	162	125.2 Å²	125.2	87%	0.866	76%	0.764	S	S	*	*			trans	-163.2	99.6	159.6	-100.1	-26.6	0	0	0	110.4
619	S	26.2	Very low	27.2	Very low	125 Å²	125	127.6 Å²	127.6	87%	0.874	77%	0.772	S	S	*	*			trans	-167.7	87.3	143.7	36.8	0	0	0	0	109.6
620	A	21.2	Very low	25.9	Very low	91 Å²	91	126.4 Å²	126.4	75%	0.752	77%	0.774	S	S	*	*			trans	-73.9	129.1	154.2	0	0	0	0	0	109.5
621	K	25	Very low	25.3	Very low	200 Å²	200	130.1 Å²	130.1	87%	0.87	78%	0.781	S	S	*	*			trans	176.2	110.7	146.5	-98.2	163.9	-172.8	-177.9	0	108.3
622	S	21.1	Very low	24.6	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	79%	0.788	S	S	*	*				65.9	105.5	101	166.8	0	0	0	0	113.7
623	C	23.1	Very low	24.1	Very low	127 Å²	127	135.6 Å²	135.6	86%	0.858	80%	0.8	S	S	*	*				179.5	120.6	123.6	-95	0	0	0	0	111.2
624	Q	20.4	Very low	23.6	Very low	177 Å²	177	139.1 Å²	139.1	83%	0.827	80%	0.804	S	S	*	*			trans	-74.5	-169	154.9	-71.1	-135.3	-10.9	0	0	110.4
625	P	35.8	Very low	23.4	Very low	96 Å²	96	142.6 Å²	142.6	62%	0.623	81%	0.81	S	S	*	*				-124.3	165	-63.7	34.2	-19.7	0	0	0	110.6
626	K	23	Very low	23.2	Very low	214 Å²	214	146.8 Å²	146.8	93%	0.93	82%	0.817	S	S	*	*			trans	-133.7	113.4	156.7	-78.1	-170.3	179.1	177.7	0	111.3
627	T	19.9	Very low	23.1	Very low	126 Å²	126	147.3 Å²	147.3	77%	0.773	81%	0.812	S	S	*	*			trans	-64.1	145.8	163.7	51.6	0	0	0	0	111.7
628	S	22.8	Very low	23.1	Very low	107 Å²	107	145 Å²	145	75%	0.748	81%	0.806	S	S	*	*				164.2	136.7	118.2	61.6	0	0	0	0	114.4
629	K	23.4	Very low	23.2	Very low	190 Å²	190	145.1 Å²	145.1	83%	0.826	81%	0.806	S	S	*	*			trans	77.1	110.4	154.4	-68.7	176.7	176	-174.7	0	117.3
630	V	19.5	Very low	23.3	Very low	123 Å²	123	144.7 Å²	144.7	75%	0.745	80%	0.803	S	S	*	*				71.3	100.5	58.4	-176.6	0	0	0	0	113
631	D	23.3	Very low	23.5	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	81%	0.806	S	S	*	*				-173.6	112.2	121.6	-108	-18.6	0	0	0	107.1
632	Q	19.2	Very low	23.6	Very low	169 Å²	169	145.6 Å²	145.6	79%	0.79	80%	0.799	S	S	*	*				48.9	97.5	95.7	-67.6	-166.3	18.8	0	0	114.7
633	T	23.3	Very low	24	Very low	150 Å²	150	147.3 Å²	147.3	92%	0.92	81%	0.805	S	S	*	*				-164.4	133.7	127.3	12.3	0	0	0	0	109.6
634	E	19.3	Very low	24.2	Very low	188 Å²	188	149.6 Å²	149.6	88%	0.879	81%	0.808	S	S	*	*			trans	-68.5	134.5	179.1	-58.7	173.5	145.2	0	0	110.5
635	E	22.6	Very low	24.7	Very low	188 Å²	188	151.3 Å²	151.3	88%	0.879	81%	0.807	S	S	*	*			trans	-174.2	123.8	135.5	-106.1	-177.4	-175	0	0	109.6	P637	E635-P637 WeakPolarHBondContact O-CD 3.43Å
636	E	21.2	Very low	24.6	Very low	192 Å²	192	153.7 Å²	153.7	90%	0.897	81%	0.814	S	S	*	*			trans	-66.7	122.4	173.1	-76.2	-89	142.5	0	0	111.2
637	P	25.4	Very low	25.2	Very low	118 Å²	118	150 Å²	150	77%	0.766	81%	0.805	S	S	*	*			trans	-108.2	114.5	164.7	24.1	-5.4	0	0	0	110.1	E635	E635-P637 WeakPolarHBondContact O-CD 3.43Å
638	G	26.2	Very low	25.7	Very low	61 Å²	61	146.4 Å²	146.4	63%	0.629	79%	0.792	S	S	*	*			trans	-58.5	146.5	172.6	0	0	0	0	0	114	S640	G638-S640 PolarHBondContact O-N 3.47Å
639	D	26.5	Very low	26.2	Very low	163 Å²	163	144 Å²	144	87%	0.872	78%	0.779	S	S	*	*			trans	-9.4	91.1	159	-109.7	-27.6	0	0	0	115.9	L641	D639-L641 VanDerWaalsContact C-N 3.33Å; D639-L641 PolarHBondContact O-N 2.81Å
640	S	26.7	Very low	26.8	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	76%	0.758	S	S	*	*			trans	-88.8	70.3	167.7	-67.7	0	0	0	0	110	G638	G638-S640 PolarHBondContact O-N 3.47Å
641	L	26.3	Very low	27.5	Very low	153 Å²	153	135.4 Å²	135.4	80%	0.801	75%	0.747	S	S	*	*			trans	-139.8	51	170.9	-135.4	117.6	0	0	0	111.8	D639	D639-L641 VanDerWaalsContact C-N 3.33Å; D639-L641 PolarHBondContact O-N 2.81Å
642	H	27.2	Very low	27.9	Very low	157 Å²	157	134.1 Å²	134.1	73%	0.727	74%	0.74	S	S	*	*			trans	-152.1	52.3	173.8	-131.5	-72.3	0	0	0	114.8
643	T	28.6	Very low	28.5	Very low	140 Å²	140	134.9 Å²	134.9	86%	0.859	74%	0.736	S	S	*	*			trans	-135	23.9	175.5	40.8	0	0	0	0	116.1
644	L	27.5	Very low	29	Very low	175 Å²	175	133.8 Å²	133.8	92%	0.916	72%	0.723	S	S	*	*	S	Bend	trans	-128.8	41.1	177.4	-96.5	157.5	0	0	0	114.2
645	R	31.4	Very low	29.5	Very low	213 Å²	213	130.9 Å²	130.9	80%	0.804	71%	0.713	S	S	*	*	S	Bend	trans	-117.8	3.9	179.9	-109.7	-174.3	-177.1	-166.9	2.6	118.2
646	D	33.8	Very low	30	Very low	145 Å²	145	132.2 Å²	132.2	78%	0.775	71%	0.71	S	S	*	*			trans	-118.1	12.6	-169.1	-81.5	-25.1	0	0	0	119.2
647	D	35.8	Very low	30.5	Very low	137 Å²	137	127.1 Å²	127.1	73%	0.733	70%	0.696	S	S	*	*	S	Bend	trans	-92.3	-8.4	175	-73.4	-23.9	0	0	0	115.1	V651	D647-V651 WeakPolarHBondContact O-CG2 3.28Å
648	G	29.8	Very low	30.8	Very low	50 Å²	50	126.8 Å²	126.8	52%	0.515	70%	0.696	S	S	.	*	H	α-helix	trans	-71.4	-32.3	-180	0	0	0	0	0	114.5	L652	G648-L652 PolarHBondContact O-N 2.83Å
649	A	34	Very low	31.1	Very low	56 Å²	56	128.9 Å²	128.9	46%	0.463	70%	0.701	S	S	.	*	H	α-helix	trans	-81.7	-19.5	-175	0	0	0	0	0	113.7	R653	A649-R653 PolarHBondContact O-NE 3.49Å
650	A	35	Very low	31.1	Very low	48 Å²	48	132.6 Å²	132.6	40%	0.397	70%	0.703	S	S	.	*	H	α-helix	trans	-79.2	-42.3	174	0	0	0	0	0	111.2	L652 R653 L654	A650-L652 PolarHBondContact O-N 2.75Å; A650-R653 PolarHBondContact O-N 2.85Å; A650-R653 VanDerWaalsContact O-N 3.15Å; A650-L654 PolarHBondContact O-N 3.03Å
651	V	34	Very low	31.2	Very low	85 Å²	85	136.5 Å²	136.5	52%	0.515	71%	0.705	S	S	.	*	H	α-helix	trans	-63.9	-39.5	178.3	177.6	0	0	0	0	111.5	D647 R653 L654 L655	D647-V651 WeakPolarHBondContact O-CG2 3.28Å; V651-R653 VanDerWaalsContact C-N 3.32Å; V651-R653 PolarHBondContact O-N 3.49Å; V651-L654 PolarHBondContact O-N 3.2Å; V651-L655 HydrophobicContact CG1-CD1 4.14Å; V651-L655 WeakPolarHBondContact O-CG 3.42Å; V651-L655 PolarHBondContact O-N 3.36Å
652	L	32.7	Very low	31.2	Very low	112 Å²	112	134.5 Å²	134.5	59%	0.586	70%	0.701	S	S	*	*	H	α-helix	trans	-70	-25.2	175.7	-78.2	167.7	0	0	0	113.9	G648 A650 R656	G648-L652 PolarHBondContact O-N 2.83Å; A650-L652 PolarHBondContact O-N 2.75Å; L652-R656 WeakPolarHBondContact O-CG 3.42Å; L652-R656 PolarHBondContact O-N 3.45Å
653	R	32.3	Very low	31	Very low	185 Å²	185	133 Å²	133	70%	0.698	71%	0.705	S	S	*	*	H	α-helix	trans	-76.4	-36.8	172.7	-92.6	-177	-80.9	176.8	-6.6	112.1	A649 A650 V651 R656	A649-R653 PolarHBondContact O-NE 3.49Å; A650-R653 PolarHBondContact O-N 2.85Å; A650-R653 VanDerWaalsContact O-N 3.15Å; V651-R653 VanDerWaalsContact C-N 3.32Å; V651-R653 PolarHBondContact O-N 3.49Å; R653-R656 PolarHBondContact O-N 3.45Å
654	L	31.8	Very low	30.9	Very low	126 Å²	126	132.6 Å²	132.6	66%	0.66	71%	0.707	S	S	*	*	H	α-helix	trans	-67.9	-35.7	174.8	-100.8	138.9	0	0	0	112.9	A650 V651 R656 S657	A650-L654 PolarHBondContact O-N 3.03Å; V651-L654 PolarHBondContact O-N 3.2Å; L654-R656 VanDerWaalsContact C-N 3.3Å; L654-R656 PolarHBondContact O-N 2.93Å; L654-S657 PolarHBondContact O-N 2.89Å; L654-S657 PolarHBondContact O-OG 3.44Å; L654-S657 VanDerWaalsContact O-OG 3.1Å
655	L	31	Very low	30.9	Very low	127 Å²	127	131.3 Å²	131.3	67%	0.665	71%	0.706	S	S	*	*	H	α-helix	trans	-72.9	-21.9	176.9	-73.1	168.7	0	0	0	113.4	V651	V651-L655 HydrophobicContact CG1-CD1 4.14Å; V651-L655 WeakPolarHBondContact O-CG 3.42Å; V651-L655 PolarHBondContact O-N 3.36Å
656	R	32.6	Very low	30.5	Very low	217 Å²	217	125.5 Å²	125.5	82%	0.819	70%	0.703	S	S	*	*	H	α-helix	trans	-83.9	-15.1	176.6	-75.4	-176.6	-179.9	-169.2	1.7	114.1	L652 R653 L654	L652-R656 WeakPolarHBondContact O-CG 3.42Å; L652-R656 PolarHBondContact O-N 3.45Å; R653-R656 PolarHBondContact O-N 3.45Å; L654-R656 VanDerWaalsContact C-N 3.3Å; L654-R656 PolarHBondContact O-N 2.93Å
657	S	32.8	Very low	30	Very low	85 Å²	85	123.1 Å²	123.1	59%	0.594	70%	0.704	S	S	*	*	S	Bend	trans	-93.6	-1.8	-177.6	56	0	0	0	0	115.2	L654	L654-S657 PolarHBondContact O-N 2.89Å; L654-S657 PolarHBondContact O-OG 3.44Å; L654-S657 VanDerWaalsContact O-OG 3.1Å
658	S	30	Very low	29.7	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	71%	0.707	S	S	*	*			trans	-110.4	18.4	-171.5	-119	0	0	0	0	116.9
659	S	32.4	Very low	29.3	Very low	105 Å²	105	130.2 Å²	130.2	73%	0.734	73%	0.727	S	S	*	*			trans	-113.2	64.8	173	58.6	0	0	0	0	112.8	K661	S659-K661 PolarHBondContact O-N 3.44Å
660	R	27.8	Very low	29	Very low	241 Å²	241	132.1 Å²	132.1	91%	0.909	74%	0.743	S	S	*	*			trans	-73.5	99.7	163.2	-75.7	-175	177.2	-167.2	-0.5	109.1
661	K	28.8	Very low	28.6	Very low	200 Å²	200	136.6 Å²	136.6	87%	0.87	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-76.4	136.6	161.1	-89.3	-175.7	175.5	-180	0	109.6	S659	S659-K661 PolarHBondContact O-N 3.44Å
662	P	25.9	Very low	28	Very low	110 Å²	110	137.2 Å²	137.2	71%	0.714	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-74.1	161.5	179.3	31.5	-33.4	0	0	0	112.1
663	P	24	Very low	27.8	Very low	126 Å²	126	137.1 Å²	137.1	82%	0.818	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-82.4	131	-155.8	32.5	-32.8	0	0	0	112.4
664	C	25.5	Very low	27.5	Very low	131 Å²	131	133.3 Å²	133.3	89%	0.885	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-88	126.2	166	-69.5	0	0	0	0	109.2
665	V	26.7	Very low	27.3	Very low	149 Å²	149	137.1 Å²	137.1	90%	0.903	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.8	136	178.4	176.1	0	0	0	0	110.3
666	A	22.8	Very low	26.9	Very low	90 Å²	90	141.7 Å²	141.7	74%	0.744	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82	158.8	-176.2	0	0	0	0	0	113.3
667	A	24.6	Very low	26.4	Very low	95 Å²	95	136.4 Å²	136.4	79%	0.785	81%	0.805	S	S	*	*			trans	117.1	148.7	151.6	0	0	0	0	0	115.7
668	P	28.7	Very low	26.1	Very low	125 Å²	125	141.9 Å²	141.9	81%	0.812	82%	0.821	S	S	*	*			cis	-132	168.6	-30.3	30.6	-11.1	0	0	0	114.1
669	K	21.8	Very low	25.7	Very low	212 Å²	212	142.1 Å²	142.1	92%	0.922	82%	0.822	S	S	*	*			trans	-57	134.5	176.8	-63.2	167.5	175.2	175.8	0	112.6
670	A	28.5	Very low	25.5	Very low	96 Å²	96	147.9 Å²	147.9	79%	0.793	83%	0.827	S	S	*	*			trans	-141.8	103	156.7	0	0	0	0	0	110.8
671	V	25.4	Very low	25.5	Very low	142 Å²	142	145.6 Å²	145.6	86%	0.861	82%	0.824	S	S	*	*			trans	38	115.8	138.2	-170	0	0	0	0	119.2
672	A	22.2	Very low	25.3	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	83%	0.826	S	S	*	*			trans	-58.8	135.7	161.1	0	0	0	0	0	112.4
673	S	29.2	Very low	25.4	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	83%	0.831	S	S	*	*			trans	-137.8	128.1	149.3	60.7	0	0	0	0	110
674	S	25.3	Very low	25.8	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	83%	0.833	S	S	*	*			trans	-65.6	127.2	173.4	171.3	0	0	0	0	109.8
675	F	26.5	Very low	26	Very low	206 Å²	206	138.7 Å²	138.7	90%	0.904	83%	0.825	S	S	*	*			trans	-132.7	123	155.9	-107.9	-89.2	0	0	0	110.4
676	R	23.2	Very low	26.2	Very low	224 Å²	224	137.1 Å²	137.1	85%	0.845	82%	0.819	S	S	*	*			trans	-70.4	149.9	178.8	-86.1	177.3	168.5	-174.1	-3.6	111.8
677	S	22.7	Very low	26.4	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	82%	0.822	S	S	*	*			trans	4.7	127.2	147.6	62.5	0	0	0	0	118.9
678	E	26.7	Very low	26.7	Very low	200 Å²	200	141 Å²	141	94%	0.935	83%	0.825	S	S	*	*				-159.2	144.5	125	-119.9	174.1	177.4	0	0	113.4
679	C	21.5	Very low	26.7	Very low	116 Å²	116	140.3 Å²	140.3	78%	0.784	82%	0.821	S	S	*	*			trans	-73.7	146.9	176.9	-66.6	0	0	0	0	111.3
680	R	28	Very low	27	Very low	225 Å²	225	136.3 Å²	136.3	85%	0.849	82%	0.816	S	S	*	*				163.1	131.3	117.4	-90.6	173.3	177.7	-161.2	1.9	112.4
681	K	26.9	Very low	26.8	Very low	193 Å²	193	143.4 Å²	143.4	84%	0.839	82%	0.822	S	S	*	*			trans	48.4	115.1	136.3	-62.6	-174.4	176.1	-175.6	0	119.9
682	G	24.6	Very low	27.1	Very low	89 Å²	89	142 Å²	142	92%	0.918	82%	0.819	S	S	*	*				71	101.8	120.4	0	0	0	0	0	118.1
683	G	28.7	Very low	27.4	Very low	79 Å²	79	147.3 Å²	147.3	81%	0.814	82%	0.824	S	S	*	*			trans	-161.2	126.9	166.5	0	0	0	0	0	111
684	V	31.4	Very low	27.5	Very low	141 Å²	141	151.3 Å²	151.3	86%	0.855	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-60.2	149.9	-173.6	170.3	0	0	0	0	112.8
685	P	31.1	Very low	27.5	Very low	113 Å²	113	157.3 Å²	157.3	73%	0.734	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-70.9	155.6	-169.9	28.1	-37.3	0	0	0	115
686	P	29.9	Very low	27.2	Very low	117 Å²	117	158.8 Å²	158.8	76%	0.76	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-78.9	158	-176.4	33.2	-35.1	0	0	0	113.4
687	P	28.5	Very low	27.4	Very low	126 Å²	126	160 Å²	160	82%	0.818	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-84.4	151.2	-170.5	33.6	-33.9	0	0	0	114
688	V	29.5	Very low	27.4	Very low	140 Å²	140	160 Å²	160	85%	0.848	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-75.2	132.5	-180	179.8	0	0	0	0	111
689	P	28.4	Very low	27.4	Very low	110 Å²	110	155.8 Å²	155.8	71%	0.714	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.5	154.6	180	30.6	-31.9	0	0	0	113.3
690	P	28.1	Very low	27.7	Very low	128 Å²	128	158.2 Å²	158.2	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-90.4	153.3	-162.1	34.5	-33.2	0	0	0	114.7	S692	P690-S692 PolarHBondContact O-N 3.33Å
691	R	25.8	Very low	27.6	Very low	245 Å²	245	154 Å²	154	93%	0.925	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-63	121.5	173.5	-74.8	173.8	168.1	177.6	-5.2	111.9	K693	R691-K693 PolarHBondContact O-N 2.92Å
692	S	31.5	Very low	27.4	Very low	114 Å²	114	151.9 Å²	151.9	80%	0.797	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.7	116.1	165	42.6	0	0	0	0	110.4	P690	P690-S692 PolarHBondContact O-N 3.33Å
693	K	27.3	Very low	27.5	Very low	207 Å²	207	153.5 Å²	153.5	90%	0.9	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.2	117.2	160.6	-72.9	178	175.8	177.4	0	106.9	R691	R691-K693 PolarHBondContact O-N 2.92Å
694	E	31.3	Very low	27.3	Very low	194 Å²	194	155.3 Å²	155.3	91%	0.907	81%	0.814	S	S	*	*			trans	-106.2	132.7	172.4	-147.2	146.4	-149.4	0	0	110.4
695	R	25	Very low	27.2	Very low	232 Å²	232	152.2 Å²	152.2	88%	0.875	81%	0.811	S	S	*	*			trans	-106.9	138.9	-154.4	174.4	-179	171.6	-162.6	-0.9	109.1
696	R	20.3	Very low	26.9	Very low	236 Å²	236	152.2 Å²	152.2	89%	0.891	81%	0.813	S	S	*	*			trans	-33.2	132.4	165.6	-68.9	176.1	171.8	-168.5	-3.9	113.7
697	R	28.6	Very low	26.9	Very low	249 Å²	249	155.3 Å²	155.3	94%	0.94	82%	0.818	S	S	*	*			trans	-124.5	143.3	145.1	-87.1	-172.1	178.2	-175.5	-0.1	109.4
698	S	23	Very low	27	Very low	106 Å²	106	157.9 Å²	157.9	74%	0.741	82%	0.819	S	S	*	*			trans	-112.1	165.9	-171	40.9	0	0	0	0	109.6
699	V	25.8	Very low	27.1	Very low	112 Å²	112	156.1 Å²	156.1	68%	0.679	82%	0.819	S	S	*	*			trans	111.1	126.5	147	-174.1	0	0	0	0	117.5
700	E	27.8	Very low	27.3	Very low	167 Å²	167	157.3 Å²	157.3	78%	0.78	82%	0.824	S	S	*	*			trans	90.6	102.8	149.9	-83.1	154.5	-149.8	0	0	122.9
701	D	26.3	Very low	27.4	Very low	137 Å²	137	160.6 Å²	160.6	73%	0.733	83%	0.826	S	S	*	*				63.5	106.3	119.3	-62.2	-14.4	0	0	0	123.6
702	I	23.4	Very low	27.7	Very low	148 Å²	148	156.7 Å²	156.7	76%	0.759	82%	0.821	S	S	*	*				40.9	124.2	120.4	-59	179.3	0	0	0	117
703	P	26.2	Very low	27.7	Very low	122 Å²	122	156.3 Å²	156.3	79%	0.792	82%	0.816	S	S	*	*				-145.4	156.9	73.6	34.8	-13.3	0	0	0	119.8
704	S	23.8	Very low	27.8	Very low	118 Å²	118	151.9 Å²	151.9	83%	0.825	81%	0.809	S	S	*	*			trans	-48.4	127.1	167.3	48.9	0	0	0	0	114.2
705	G	28.7	Very low	27.7	Very low	76 Å²	76	148.7 Å²	148.7	78%	0.784	80%	0.804	S	S	*	*			trans	-153.9	110.3	165	0	0	0	0	0	108.7
706	S	25.5	Very low	27.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	80%	0.802	S	S	*	*			trans	-67	145.8	172.1	45.7	0	0	0	0	112
707	E	30	Very low	28.4	Very low	182 Å²	182	137.7 Å²	137.7	85%	0.85	79%	0.791	S	S	*	*			trans	127.9	125	148.9	-69.4	-174.8	159.6	0	0	115.5
708	E	30.8	Very low	28.6	Very low	181 Å²	181	132 Å²	132	85%	0.846	79%	0.786	S	S	*	*			trans	54.3	89.2	162.9	-75.8	-178	138.9	0	0	119.5	T710	E708-T710 PolarHBondContact O-N 3.32Å
709	A	32.1	Very low	29	Very low	102 Å²	102	136.8 Å²	136.8	84%	0.843	79%	0.794	S	S	*	*			trans	-56	99	157.5	0	0	0	0	0	110.7	K711	A709-K711 PolarHBondContact O-N 3.5Å
710	T	32.1	Very low	29.3	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	79%	0.793	S	S	*	*			trans	-62.2	103.5	167	-8.7	0	0	0	0	107.8	E708 I712	E708-T710 PolarHBondContact O-N 3.32Å; T710-I712 PolarHBondContact O-N 3.47Å; T710-I712 VanDerWaalsContact O-N 3.09Å
711	K	31.3	Very low	29.6	Very low	198 Å²	198	135.4 Å²	135.4	86%	0.861	80%	0.797	S	S	*	*			trans	-56.3	112.6	172.7	-78.4	176.6	176.7	174.5	0	109.2	A709 P713	A709-K711 PolarHBondContact O-N 3.5Å; K711-P713 WeakPolarHBondContact O-CD 3.44Å
712	I	30.1	Very low	30.1	Very low	162 Å²	162	135.7 Å²	135.7	83%	0.831	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.7	120.3	165.5	-60.7	171.8	0	0	0	107.1	T710	T710-I712 PolarHBondContact O-N 3.47Å; T710-I712 VanDerWaalsContact O-N 3.09Å
713	P	32.1	Very low	30.7	Very low	107 Å²	107	134 Å²	134	70%	0.695	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.4	148	-175.7	27.7	-32.5	0	0	0	111.7	K711	K711-P713 WeakPolarHBondContact O-CD 3.44Å
714	P	29.6	Very low	31.4	Very low	114 Å²	114	131.6 Å²	131.6	74%	0.74	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.3	156.8	-180	29.2	-34.1	0	0	0	112.2	V716	P714-V716 PolarHBondContact O-N 3.17Å
715	P	29.7	Very low	32.5	Very low	126 Å²	126	134.4 Å²	134.4	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-65	132.5	-173.4	24.6	-32.6	0	0	0	112.7
716	V	29.8	Very low	33.5	Very low	135 Å²	135	133 Å²	133	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-68	124.7	179.4	178.1	0	0	0	0	110.5	P714	P714-V716 PolarHBondContact O-N 3.17Å
717	P	30.7	Very low	34.7	Very low	103 Å²	103	132.1 Å²	132.1	67%	0.669	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-70.4	151.8	175.8	26.9	-32.2	0	0	0	112	K719	P717-K719 PolarHBondContact O-N 3.35Å
718	P	31.3	Very low	36.3	Very low	129 Å²	129	127.1 Å²	127.1	84%	0.838	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-63.2	132.3	-173.9	24.2	-31.9	0	0	0	111.4	G720	P718-G720 PolarHBondContact O-N 3.32Å
719	K	31.5	Very low	37.7	Very low	207 Å²	207	123 Å²	123	90%	0.9	72%	0.716	S	S	*	*			trans	-50	101.9	179.1	-69.2	178.1	176.7	179	0	110.7	P717 Q721	P717-K719 PolarHBondContact O-N 3.35Å; K719-Q721 PolarHBondContact O-N 3.4Å
720	G	33.6	Very low	39.3	Very low	63 Å²	63	121 Å²	121	65%	0.649	70%	0.699	S	S	*	*			trans	-58.2	130.8	167.3	0	0	0	0	0	109.3	P718 V722	P718-G720 PolarHBondContact O-N 3.32Å; G720-V722 PolarHBondContact O-N 2.99Å
721	Q	33.8	Very low	40.7	Very low	187 Å²	187	119 Å²	119	87%	0.874	68%	0.683	S	S	*	*			trans	-53.6	114.1	175.1	-79	175.3	-23.3	0	0	109	K719 I723	K719-Q721 PolarHBondContact O-N 3.4Å; Q721-I723 PolarHBondContact O-N 2.9Å
722	V	35.6	Very low	42.1	Very low	142 Å²	142	117.3 Å²	117.3	86%	0.861	67%	0.671	S	S	*	*			trans	-64.8	102.4	172.4	178.1	0	0	0	0	106.8	G720 S724	G720-V722 PolarHBondContact O-N 2.99Å; V722-S724 PolarHBondContact O-N 2.87Å
723	I	37.4	Very low	43.6	Very low	113 Å²	113	112.3 Å²	112.3	58%	0.579	65%	0.65	S	S	*	*			trans	-65.2	115.7	174.1	-62.5	176.7	0	0	0	106.5	Q721 N727	Q721-I723 PolarHBondContact O-N 2.9Å; I723-N727 HydrophobicContact CG2-CB 3.46Å; I723-N727 VanDerWaalsContact CG2-CB 3.46Å
724	S	40	Very low	44.9	Very low	72 Å²	72	113.8 Å²	113.8	50%	0.503	65%	0.648	S	S	.	*			trans	-62.4	148.5	-177.4	65.9	0	0	0	0	110.7	V722 G726 N727	V722-S724 PolarHBondContact O-N 2.87Å; S724-G726 PolarHBondContact O-N 2.69Å; S724-N727 PolarHBondContact O-N 2.79Å
725	K	45.9	Very low	46.3	Very low	177 Å²	177	116.1 Å²	116.1	77%	0.77	65%	0.647	S	S	*	*	H	α-helix	trans	-49.6	-32.8	-176	-158.8	174.1	-178.7	-179.7	0	113.3	N727 V728 D729	K725-N727 VanDerWaalsContact C-N 3.32Å; K725-N727 PolarHBondContact O-N 3Å; K725-V728 PolarHBondContact O-N 3.01Å; K725-D729 PolarHBondContact O-N 3.28Å
726	G	51.2	Low	47.8	Very low	47 Å²	47	117.1 Å²	117.1	49%	0.485	64%	0.641	S	S	.	*	H	α-helix	trans	-62.9	-30.1	177	0	0	0	0	0	115	S724 A730	S724-G726 PolarHBondContact O-N 2.69Å; G726-A730 PolarHBondContact O-N 2.88Å
727	N	50	Low	49.2	Very low	92 Å²	92	119.2 Å²	119.2	49%	0.492	64%	0.639	S	S	.	*	H	α-helix	trans	-76.1	-26.9	176.9	-77.6	-5.2	0	0	0	112.2	I723 S724 K725 L731	I723-N727 HydrophobicContact CG2-CB 3.46Å; I723-N727 VanDerWaalsContact CG2-CB 3.46Å; S724-N727 PolarHBondContact O-N 2.79Å; K725-N727 VanDerWaalsContact C-N 3.32Å; K725-N727 PolarHBondContact O-N 3Å; N727-L731 WeakPolarHBondContact O-CB 3.45Å; N727-L731 WeakPolarHBondContact O-CG 3.47Å; N727-L731 PolarHBondContact O-N 3.31Å
728	V	63	Low	50.3	Low	78 Å²	78	125.7 Å²	125.7	47%	0.473	66%	0.656	S	S	.	*	H	α-helix	trans	-70.1	-41.1	175.5	-179.6	0	0	0	0	110.3	K725 L731 R732	K725-V728 PolarHBondContact O-N 3.01Å; V728-L731 PolarHBondContact O-N 2.89Å; V728-R732 WeakPolarHBondContact O-CB 3.36Å; V728-R732 PolarHBondContact O-N 2.96Å
729	D	61	Low	51.2	Low	94 Å²	94	125.6 Å²	125.6	50%	0.503	65%	0.647	S	S	.	*	H	α-helix	trans	-69	-37	177.6	-64.7	-28.7	0	0	0	111.7	K725 R732 S733	K725-D729 PolarHBondContact O-N 3.28Å; D729-R732 PolarHBondContact O-N 3.31Å; D729-S733 PolarHBondContact O-N 2.79Å
730	A	64.7	Low	52.2	Low	59 Å²	59	121.3 Å²	121.3	49%	0.488	63%	0.634	S	S	.	*	H	α-helix	trans	-63.8	-41.7	173.5	0	0	0	0	0	112.5	G726 S733 Q734	G726-A730 PolarHBondContact O-N 2.88Å; A730-S733 PolarHBondContact O-N 2.87Å; A730-Q734 PolarHBondContact O-N 2.77Å; A730-Q734 VanDerWaalsContact O-N 3.1Å
731	L	62.3	Low	53.3	Low	94 Å²	94	124.5 Å²	124.5	49%	0.492	63%	0.633	S	S	.	*	H	α-helix	trans	-66.6	-40.8	175.3	-83.7	163.4	0	0	0	111.9	N727 V728 Q734 F735	N727-L731 WeakPolarHBondContact O-CB 3.45Å; N727-L731 WeakPolarHBondContact O-CG 3.47Å; N727-L731 PolarHBondContact O-N 3.31Å; V728-L731 PolarHBondContact O-N 2.89Å; L731-Q734 PolarHBondContact O-N 3.08Å; L731-F735 WeakPolarHBondContact O-CD2 3.28Å; L731-F735 PolarHBondContact O-N 3.16Å
732	R	60.8	Low	54.4	Low	162 Å²	162	120.8 Å²	120.8	61%	0.611	62%	0.619	S	S	*	*	H	α-helix	trans	-62.4	-43.3	175.9	-175.4	-179	-84.2	-116.7	1.9	111.7	V728 D729 Q734 F735 E736	V728-R732 WeakPolarHBondContact O-CB 3.36Å; V728-R732 PolarHBondContact O-N 2.96Å; D729-R732 PolarHBondContact O-N 3.31Å; R732-Q734 VanDerWaalsContact C-N 3.3Å; R732-Q734 PolarHBondContact O-N 3.23Å; R732-F735 PolarHBondContact O-N 2.86Å; R732-F735 VanDerWaalsContact O-N 3.15Å; R732-E736 PolarHBondContact O-N 2.84Å
733	S	61.8	Low	55.6	Low	57 Å²	57	119.5 Å²	119.5	40%	0.399	60%	0.604	S	S	.	*	H	α-helix	trans	-65.9	-31.2	176.5	-171.5	0	0	0	0	113	D729 A730 K737	D729-S733 PolarHBondContact O-N 2.79Å; A730-S733 PolarHBondContact O-N 2.87Å; S733-K737 PolarHBondContact O-N 3.04Å
734	Q	59.6	Low	56.8	Low	138 Å²	138	119.9 Å²	119.9	65%	0.645	61%	0.606	S	S	*	*	H	α-helix	trans	-71.3	-32	172.6	-110	-170.4	2	0	0	113	A730 L731 R732	A730-Q734 PolarHBondContact O-N 2.77Å; A730-Q734 VanDerWaalsContact O-N 3.1Å; L731-Q734 PolarHBondContact O-N 3.08Å; R732-Q734 VanDerWaalsContact C-N 3.3Å; R732-Q734 PolarHBondContact O-N 3.23Å
735	F	57.7	Low	58	Low	164 Å²	164	123.4 Å²	123.4	72%	0.719	61%	0.613	S	S	*	*	H	α-helix	trans	-76.4	-31.3	177.9	-101.2	-83.7	0	0	0	113.4	L731 R732 K737	L731-F735 WeakPolarHBondContact O-CD2 3.28Å; L731-F735 PolarHBondContact O-N 3.16Å; R732-F735 PolarHBondContact O-N 2.86Å; R732-F735 VanDerWaalsContact O-N 3.15Å; F735-K737 VanDerWaalsContact C-N 3.34Å
736	E	61.7	Low	59	Low	147 Å²	147	119.2 Å²	119.2	69%	0.687	60%	0.601	S	S	*	*	H	α-helix	trans	-79	-16.7	175.8	-73.4	174.1	-179.8	0	0	113.3	R732	R732-E736 PolarHBondContact O-N 2.84Å
737	K	59.6	Low	59.6	Low	178 Å²	178	125.3 Å²	125.3	77%	0.774	61%	0.61	S	S	*	*			trans	-89.5	-14.5	177.2	-81.2	-177.8	177.6	177.6	0	114.4	S733 F735	S733-K737 PolarHBondContact O-N 3.04Å; F735-K737 VanDerWaalsContact C-N 3.34Å
738	K	53	Low	60.5	Low	240 Å²	240	128.3 Å²	128.3	100%	1.043	62%	0.621	S	S	*	*			trans	-98.7	0	173.4	-82.2	-172.1	173.5	-175.8	0	109.3

Retrieved 738 of 738 residues in 209.6 ms (Link to these results)

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