A0A087Y5T2_POEFO Loading...

DNA mismatch repair protein MLH1

AlphaFold DB , UniProt , Accession A0A087Y5T2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 729 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	48.6	Very low	79.7	Confident	246 Å²	246	145.9 Å²	145.9	100%	1.212	76%	0.764	S	S	*	*				0	151.3	0	-59.6	179.8	-142.9	0	0	108.2
2	A	53	Low	80	Confident	96 Å²	96	139.3 Å²	139.3	79%	0.793	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-69.1	145.5	168.9	0	0	0	0	0	110.2
3	G	78.1	Confident	80.3	Confident	74 Å²	74	133.5 Å²	133.5	76%	0.763	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-72.5	137.1	177.4	0	0	0	0	0	111.8	I5	G3-I5 PolarHBondContact O-N 3.1Å
4	V	87.1	Confident	80.5	Confident	139 Å²	139	126.9 Å²	126.9	84%	0.842	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-77.6	122.9	176.1	-176.6	0	0	0	0	109.5	R6	V4-R6 PolarHBondContact O-N 3.38Å
5	I	88.9	Confident	80.5	Confident	169 Å²	169	124 Å²	124	87%	0.867	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-67	130.5	177.4	-58.6	174.5	0	0	0	109.3	G3	G3-I5 PolarHBondContact O-N 3.1Å
6	R	89	Confident	80.7	Confident	210 Å²	210	121.5 Å²	121.5	79%	0.792	64%	0.635	S	S	*	*			trans	-137.5	154.5	175.4	65.6	-178.6	-177.6	-170	0.6	110.3	V4	V4-R6 PolarHBondContact O-N 3.38Å
7	R	87.9	Confident	80.5	Confident	245 Å²	245	115.2 Å²	115.2	93%	0.925	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-65.1	144.9	168.4	-66.4	-175.4	179.9	-175.8	-0.4	109.6
8	L	88.4	Confident	80.5	Confident	104 Å²	104	108.9 Å²	108.9	55%	0.545	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-83.8	158.7	169.2	-65.2	177.7	0	0	0	110	V13	L8-V13 HydrophobicContact CB-CG2 3.71Å; L8-V13 HydrophobicContact CD1-CG2 4.36Å
9	D	89	Confident	80.3	Confident	98 Å²	98	103.2 Å²	103.2	52%	0.524	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-66.8	135.8	170	-173.7	-61.3	0	0	0	110	T11 V12 V13	D9-T11 PolarHBondContact O-N 2.77Å; D9-T11 VanDerWaalsContact OD1-CB 3.3Å; D9-T11 WeakPolarHBondContact OD1-CB 3.24Å; D9-T11 WeakPolarHBondContact OD1-CG2 3.48Å; D9-T11 PolarHBondContact OD1-N 3.3Å; D9-T11 PolarHBondContact OD1-OG1 2.79Å; D9-V12 HydrophobicContact CB-CB 4.37Å; D9-V12 HydrophobicContact CB-CG2 4.06Å; D9-V12 WeakPolarHBondContact O-CA 3.49Å; D9-V12 WeakPolarHBondContact O-CB 3.43Å; D9-V12 PolarHBondContact O-N 2.86Å; D9-V13 PolarHBondContact O-N 2.94Å
10	E	84.4	Confident	80.3	Confident	158 Å²	158	103.1 Å²	103.1	74%	0.738	54%	0.539	S	S	*	.	H	α-helix	trans	-60	-32	-177.6	-64.7	-179.5	176.9	0	0	112.7	V12 V13 N14	E10-V12 VanDerWaalsContact C-N 3.3Å; E10-V12 PolarHBondContact O-N 3.38Å; E10-V13 PolarHBondContact O-N 2.77Å; E10-N14 WeakPolarHBondContact O-CB 3.43Å; E10-N14 PolarHBondContact O-N 3.4Å; E10-N14 PolarHBondContact O-ND2 2.76Å
11	T	82.1	Confident	80.3	Confident	66 Å²	66	98.9 Å²	98.9	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-33.6	174.8	67.2	0	0	0	0	111.8	D9 R15	D9-T11 PolarHBondContact O-N 2.77Å; D9-T11 VanDerWaalsContact OD1-CB 3.3Å; D9-T11 WeakPolarHBondContact OD1-CB 3.24Å; D9-T11 WeakPolarHBondContact OD1-CG2 3.48Å; D9-T11 PolarHBondContact OD1-N 3.3Å; D9-T11 PolarHBondContact OD1-OG1 2.79Å; T11-R15 WeakPolarHBondContact O-CB 3.36Å; T11-R15 WeakPolarHBondContact O-CD 3.34Å; T11-R15 WeakPolarHBondContact O-CG 3.37Å; T11-R15 PolarHBondContact O-N 3.25Å; T11-R15 VanDerWaalsContact O-N 3.15Å
12	V	82.9	Confident	82.2	Confident	66 Å²	66	87.2 Å²	87.2	40%	0.4	46%	0.46	S	S	.	.	H	α-helix	trans	-74	-44.3	175.1	177	0	0	0	0	110.2	D9 E10 N14 R15 I16	D9-V12 HydrophobicContact CB-CB 4.37Å; D9-V12 HydrophobicContact CB-CG2 4.06Å; D9-V12 WeakPolarHBondContact O-CA 3.49Å; D9-V12 WeakPolarHBondContact O-CB 3.43Å; D9-V12 PolarHBondContact O-N 2.86Å; E10-V12 VanDerWaalsContact C-N 3.3Å; E10-V12 PolarHBondContact O-N 3.38Å; V12-N14 PolarHBondContact O-N 3.47Å; V12-R15 PolarHBondContact O-N 2.8Å; V12-I16 HydrophobicContact CG1-CD1 3.82Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.23Å
13	V	84.8	Confident	83.8	Confident	65 Å²	65	86.4 Å²	86.4	39%	0.394	44%	0.44	S	S	.	.	H	α-helix	trans	-59.5	-46.9	176.3	177.5	0	0	0	0	111.2	L8 D9 E10 R15 I16 A17	L8-V13 HydrophobicContact CB-CG2 3.71Å; L8-V13 HydrophobicContact CD1-CG2 4.36Å; D9-V13 PolarHBondContact O-N 2.94Å; E10-V13 PolarHBondContact O-N 2.77Å; V13-R15 PolarHBondContact O-N 3.24Å; V13-I16 PolarHBondContact O-N 2.98Å; V13-A17 PolarHBondContact O-N 3.49Å
14	N	83.1	Confident	84.4	Confident	41 Å²	41	86.6 Å²	86.6	22%	0.219	42%	0.417	C	S	.	.	H	α-helix	trans	-64.8	-38.5	178.7	-73.2	-22.4	0	0	0	112.4	E10 V12 A18 R76 H106	E10-N14 WeakPolarHBondContact O-CB 3.43Å; E10-N14 PolarHBondContact O-N 3.4Å; E10-N14 PolarHBondContact O-ND2 2.76Å; V12-N14 PolarHBondContact O-N 3.47Å; N14-A18 WeakPolarHBondContact O-CB 3.26Å; N14-A18 PolarHBondContact O-N 3.02Å; N14-R76 WeakPolarHBondContact OD1-CD 3.47Å; N14-R76 PolarHBondContact OD1-NH1 3.06Å; N14-H106 WeakPolarHBondContact CB-NE2 3.2Å; N14-H106 PolarHBondContact ND2-NE2 3.15Å
15	R	80.8	Confident	84.6	Confident	83 Å²	83	80 Å²	80	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-72.4	-29	177.1	-73	172.4	-177.9	174.7	0.2	113.6	T11 V12 V13 G19 H106 D129	T11-R15 WeakPolarHBondContact O-CB 3.36Å; T11-R15 WeakPolarHBondContact O-CD 3.34Å; T11-R15 WeakPolarHBondContact O-CG 3.37Å; T11-R15 PolarHBondContact O-N 3.25Å; T11-R15 VanDerWaalsContact O-N 3.15Å; V12-R15 PolarHBondContact O-N 2.8Å; V13-R15 PolarHBondContact O-N 3.24Å; R15-G19 PolarHBondContact O-N 3.09Å; R15-H106 HydrophobicContact CG-CB 4.27Å; R15-D129 IonicContact CZ-OD1 2.69Å; R15-D129 VanDerWaalsContact CZ-OD1 3.27Å; R15-D129 IonicContact CZ-OD2 2.72Å; R15-D129 IonicContact NE-OD1 3.64Å; R15-D129 PolarHBondContact NE-OD1 2.84Å; R15-D129 IonicContact NH2-OD1 2.69Å; R15-D129 PolarHBondContact NH2-OD1 3.08Å; R15-D129 IonicContact NH2-OD2 2.77Å; R15-D129 PolarHBondContact NH2-OD2 2.93Å
16	I	82.3	Confident	84.8	Confident	84 Å²	84	72.3 Å²	72.3	43%	0.431	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-57.8	170.3	-70	166.4	0	0	0	109.4	V12 V13 A18 G19 E20	V12-I16 HydrophobicContact CG1-CD1 3.82Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.23Å; V13-I16 PolarHBondContact O-N 2.98Å; I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 2.9Å; I16-G19 WeakPolarHBondContact O-CA 3.41Å; I16-G19 PolarHBondContact O-N 3.21Å; I16-E20 PolarHBondContact O-N 3.43Å
17	A	78.3	Confident	84.8	Confident	15 Å²	15	63.1 Å²	63.1	12%	0.124	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-40.2	-178.2	0	0	0	0	0	112.8	V13 G19 E20 V21	V13-A17 PolarHBondContact O-N 3.49Å; A17-G19 PolarHBondContact O-N 3.47Å; A17-E20 WeakPolarHBondContact O-CB 3.46Å; A17-E20 PolarHBondContact O-N 2.92Å; A17-V21 PolarHBondContact O-N 3.37Å
18	A	81.1	Confident	85	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-31.6	173.4	0	0	0	0	0	112.8	N14 I16 I22 S103 H106 V107	N14-A18 WeakPolarHBondContact O-CB 3.26Å; N14-A18 PolarHBondContact O-N 3.02Å; I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 2.9Å; A18-I22 WeakPolarHBondContact O-CA 3.43Å; A18-I22 WeakPolarHBondContact O-CB 3.14Å; A18-I22 PolarHBondContact O-N 3.34Å; A18-S103 WeakPolarHBondContact CB-O 3.44Å; A18-H106 HydrophobicContact CB-CB 3.93Å; A18-V107 HydrophobicContact CB-CG1 4.05Å
19	G	75.6	Confident	85.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-79.8	-18.2	175.9	0	0	0	0	0	115.2	R15 I16 A17 R159	R15-G19 PolarHBondContact O-N 3.09Å; I16-G19 WeakPolarHBondContact O-CA 3.41Å; I16-G19 PolarHBondContact O-N 3.21Å; A17-G19 PolarHBondContact O-N 3.47Å; G19-R159 PolarHBondContact O-NH2 3.23Å
20	E	79.9	Confident	85.4	Confident	102 Å²	102	41.9 Å²	41.9	48%	0.477	21%	0.211	S	C	.	.	H	α-helix	trans	-77.9	-41	173.2	-66.7	165.2	175.7	0	0	110.3	I16 A17 Q23	I16-E20 PolarHBondContact O-N 3.43Å; A17-E20 WeakPolarHBondContact O-CB 3.46Å; A17-E20 PolarHBondContact O-N 2.92Å; E20-Q23 WeakPolarHBondContact O-CG 3.25Å; E20-Q23 PolarHBondContact O-NE2 2.83Å
21	V	81.7	Confident	85.7	Confident	15 Å²	15	35 Å²	35	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-72.6	-54.7	174.1	-178.2	0	0	0	0	111.2	A17 Q23 N27	A17-V21 PolarHBondContact O-N 3.37Å; V21-Q23 PolarHBondContact O-N 3.26Å; V21-N27 PolarHBondContact O-ND2 3.24Å
22	I	87.9	Confident	86.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.			trans	-102.2	83.9	-176.1	-51.4	-62	0	0	0	109.9	A18 A28 E31 I104 V107 L152 F153	A18-I22 WeakPolarHBondContact O-CA 3.43Å; A18-I22 WeakPolarHBondContact O-CB 3.14Å; A18-I22 PolarHBondContact O-N 3.34Å; I22-A28 HydrophobicContact CD1-CB 4.36Å; I22-A28 HydrophobicContact CG2-CB 4.14Å; I22-E31 HydrophobicContact CD1-CG 4.34Å; I22-I104 HydrophobicContact CD1-CD1 4.29Å; I22-I104 HydrophobicContact CD1-CG1 3.76Å; I22-I104 HydrophobicContact CG1-CG1 3.81Å; I22-V107 HydrophobicContact CG2-CG2 4.44Å; I22-L152 HydrophobicContact CG2-CD1 4.44Å; I22-F153 HydrophobicContact CG2-CE1 4.41Å; I22-F153 HydrophobicContact CG2-CZ 4.21Å; I22-F153 VanDerWaalsContact O-CE1 3.28Å; I22-F153 WeakPolarHBondContact O-CE1 3.27Å; I22-F153 VanDerWaalsContact O-CZ 3.31Å; I22-F153 WeakPolarHBondContact O-CZ 3.26Å
23	Q	86.5	Confident	86.6	Confident	80 Å²	80	28.7 Å²	28.7	37%	0.374	14%	0.14	S	C	.	.			trans	-82.9	-32.5	-179.2	-56.8	-178	4.6	0	0	113.1	E20 V21 T307	E20-Q23 WeakPolarHBondContact O-CG 3.25Å; E20-Q23 PolarHBondContact O-NE2 2.83Å; V21-Q23 PolarHBondContact O-N 3.26Å; Q23-T307 HydrophobicContact CG-CG2 4.31Å
24	R	90.3	Very high	86.9	Confident	77 Å²	77	25.6 Å²	25.6	29%	0.291	12%	0.122	S	C	.	.	S	Bend	trans	-148.3	161.1	-175	-62.2	-162.1	-174.5	-129.1	-3.7	111.5	A26 N27 L163 E169	R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 3.27Å; R24-N27 PolarHBondContact O-N 3.1Å; R24-N27 VanDerWaalsContact O-N 3.11Å; R24-L163 HydrophobicContact CB-CD2 4.28Å; R24-L163 HydrophobicContact CG-CD2 3.77Å; R24-E169 WeakPolarHBondContact CD-OE2 3.25Å; R24-E169 IonicContact CZ-OE1 2.66Å; R24-E169 IonicContact NH1-OE1 3.7Å; R24-E169 PolarHBondContact NH1-OE1 3.02Å
25	P	92.4	Very high	87.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-49.1	-42.3	172.7	-27.6	33.4	0	0	0	114.2	N27 A28 V29 G51 L53 L152 E169 I173	P25-N27 VanDerWaalsContact C-N 3.31Å; P25-N27 PolarHBondContact O-N 3.02Å; P25-A28 WeakPolarHBondContact O-CB 3.48Å; P25-A28 PolarHBondContact O-N 3.45Å; P25-A28 VanDerWaalsContact O-N 3.08Å; P25-V29 PolarHBondContact O-N 3.23Å; P25-G51 WeakPolarHBondContact CB-O 3.4Å; P25-G51 WeakPolarHBondContact CG-O 3.39Å; P25-L53 HydrophobicContact CG-CD2 3.9Å; P25-L152 HydrophobicContact CB-CD2 4.2Å; P25-L152 HydrophobicContact CG-CD2 3.85Å; P25-E169 HydrophobicContact CG-CB 4.37Å; P25-I173 HydrophobicContact CB-CD1 3.9Å; P25-I173 HydrophobicContact CB-CG1 4.43Å
26	A	92.3	Very high	87.8	Confident	8 Å²	8	21.7 Å²	21.7	7%	0.066	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-31.2	-179.2	0	0	0	0	0	113.9	R24 V29 K30 R172 I173 V176	R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 3.27Å; A26-V29 PolarHBondContact O-N 3.34Å; A26-K30 PolarHBondContact O-N 2.81Å; A26-R172 HydrophobicContact CB-CB 4Å; A26-I173 HydrophobicContact CB-CG1 4.3Å; A26-V176 HydrophobicContact CB-CG2 4.24Å
27	N	89.7	Confident	88.3	Confident	18 Å²	18	18.2 Å²	18.2	10%	0.096	9%	0.089	C	C	.	.	H	α-helix	trans	-68.1	-40.5	173.1	-73	19.4	0	0	0	111.1	V21 R24 P25 V29 K30 E31 T307 H309	V21-N27 PolarHBondContact O-ND2 3.24Å; R24-N27 PolarHBondContact O-N 3.1Å; R24-N27 VanDerWaalsContact O-N 3.11Å; P25-N27 VanDerWaalsContact C-N 3.31Å; P25-N27 PolarHBondContact O-N 3.02Å; N27-V29 VanDerWaalsContact C-N 3.31Å; N27-V29 PolarHBondContact O-N 3.39Å; N27-K30 WeakPolarHBondContact O-CB 3.41Å; N27-K30 PolarHBondContact O-N 3.34Å; N27-E31 WeakPolarHBondContact O-CG 3.42Å; N27-E31 PolarHBondContact O-N 3.09Å; N27-T307 WeakPolarHBondContact ND2-CG2 3.49Å; N27-H309 PolarHBondContact OD1-NE2 2.99Å
28	A	91.5	Very high	88.8	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-36.5	175.6	0	0	0	0	0	111.6	I22 P25 M32 L56 I104	I22-A28 HydrophobicContact CD1-CB 4.36Å; I22-A28 HydrophobicContact CG2-CB 4.14Å; P25-A28 WeakPolarHBondContact O-CB 3.48Å; P25-A28 PolarHBondContact O-N 3.45Å; P25-A28 VanDerWaalsContact O-N 3.08Å; A28-M32 HydrophobicContact CB-CE 4.17Å; A28-M32 WeakPolarHBondContact O-CB 3.43Å; A28-M32 VanDerWaalsContact O-CE 3.25Å; A28-M32 WeakPolarHBondContact O-CE 3.36Å; A28-M32 WeakPolarHBondContact O-CG 3.44Å; A28-M32 PolarHBondContact O-N 2.93Å; A28-L56 HydrophobicContact CB-CD2 4.27Å; A28-I104 HydrophobicContact CB-CD1 4.02Å; A28-I104 HydrophobicContact CB-CG1 4.28Å
29	V	93.9	Very high	89.2	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-49	170.8	174.2	0	0	0	0	111.6	P25 A26 N27 E31 M32 I33 L56 I58 I173 V176 V177	P25-V29 PolarHBondContact O-N 3.23Å; A26-V29 PolarHBondContact O-N 3.34Å; N27-V29 VanDerWaalsContact C-N 3.31Å; N27-V29 PolarHBondContact O-N 3.39Å; V29-E31 PolarHBondContact O-N 2.78Å; V29-M32 PolarHBondContact O-N 3.07Å; V29-I33 HydrophobicContact CG1-CD1 3.52Å; V29-I33 HydrophobicContact CG1-CG1 4.24Å; V29-I33 WeakPolarHBondContact O-CB 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.27Å; V29-L56 HydrophobicContact CG2-CD1 3.63Å; V29-L56 HydrophobicContact CG2-CD2 3.51Å; V29-L56 HydrophobicContact CG2-CG 4.17Å; V29-I58 HydrophobicContact CB-CD1 4.49Å; V29-I58 HydrophobicContact CG1-CD1 4.24Å; V29-I58 HydrophobicContact CG2-CD1 4.41Å; V29-I173 HydrophobicContact CG1-CG2 4.31Å; V29-I173 HydrophobicContact CG2-CB 4.49Å; V29-I173 HydrophobicContact CG2-CD1 4.27Å; V29-I173 HydrophobicContact CG2-CG1 3.91Å; V29-I173 HydrophobicContact CG2-CG2 3.93Å; V29-V176 HydrophobicContact CG1-CG1 4.37Å; V29-V177 HydrophobicContact CG1-CG2 3.86Å
30	K	91.6	Very high	90	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-53.7	-55.9	176.6	-174.7	176.2	-176.2	-73.1	0	110.9	A26 N27 M32 I33 E34 V176 Y180 K308 H309	A26-K30 PolarHBondContact O-N 2.81Å; N27-K30 WeakPolarHBondContact O-CB 3.41Å; N27-K30 PolarHBondContact O-N 3.34Å; K30-M32 VanDerWaalsContact C-N 3.34Å; K30-M32 PolarHBondContact O-N 2.91Å; K30-I33 PolarHBondContact O-N 2.88Å; K30-E34 IonicContact NZ-OE1 3.86Å; K30-E34 PolarHBondContact NZ-OE1 3.07Å; K30-E34 WeakPolarHBondContact O-CB 3.25Å; K30-E34 VanDerWaalsContact O-CG 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.37Å; K30-E34 PolarHBondContact O-N 3.44Å; K30-V176 HydrophobicContact CB-CG1 4.14Å; K30-Y180 VanDerWaalsContact CE-OH 3.3Å; K30-Y180 WeakPolarHBondContact CE-OH 3.48Å; K30-Y180 HydrophobicContact CG-CE2 4.03Å; K30-Y180 WeakPolarHBondContact CG-OH 3.29Å; K30-K308 PolarHBondContact NZ-O 3.04Å; K30-H309 VanDerWaalsContact CD-CE1 3.5Å; K30-H309 WeakPolarHBondContact CD-CE1 3.4Å
31	E	90.1	Very high	90.7	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-58.5	-41	179.7	-72.5	-58.5	126	0	0	113.3	I22 N27 V29 N35 A100 K308	I22-E31 HydrophobicContact CD1-CG 4.34Å; N27-E31 WeakPolarHBondContact O-CG 3.42Å; N27-E31 PolarHBondContact O-N 3.09Å; V29-E31 PolarHBondContact O-N 2.78Å; E31-N35 PolarHBondContact O-N 2.77Å; E31-N35 VanDerWaalsContact O-N 3.12Å; E31-N35 PolarHBondContact O-ND2 3.29Å; E31-A100 HydrophobicContact CB-CB 4.05Å; E31-A100 HydrophobicContact CG-CB 4.16Å; E31-A100 WeakPolarHBondContact OE2-CB 3.45Å; E31-K308 WeakPolarHBondContact OE1-CD 3.36Å; E31-K308 VanDerWaalsContact OE1-CE 3.29Å; E31-K308 WeakPolarHBondContact OE1-CE 3.46Å; E31-K308 IonicContact OE1-NZ 2.72Å; E31-K308 PolarHBondContact OE1-NZ 3.5Å; E31-K308 IonicContact OE2-NZ 3.29Å; E31-K308 PolarHBondContact OE2-NZ 2.89Å
32	M	92.3	Very high	91.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.6	-39.8	178.9	-76.8	-173.1	-75.1	0	0	112.3	A28 V29 K30 N35 C36 L56 I58 I104 I147 V149	A28-M32 HydrophobicContact CB-CE 4.17Å; A28-M32 WeakPolarHBondContact O-CB 3.43Å; A28-M32 VanDerWaalsContact O-CE 3.25Å; A28-M32 WeakPolarHBondContact O-CE 3.36Å; A28-M32 WeakPolarHBondContact O-CG 3.44Å; A28-M32 PolarHBondContact O-N 2.93Å; V29-M32 PolarHBondContact O-N 3.07Å; K30-M32 VanDerWaalsContact C-N 3.34Å; K30-M32 PolarHBondContact O-N 2.91Å; M32-N35 WeakPolarHBondContact O-CB 3.45Å; M32-N35 PolarHBondContact O-N 2.94Å; M32-N35 VanDerWaalsContact O-N 3.16Å; M32-C36 PolarHBondContact O-N 3.17Å; M32-C36 PolarHBondContact O-SG 2.67Å; M32-L56 HydrophobicContact CE-CD2 3.48Å; M32-L56 VanDerWaalsContact CE-CD2 3.48Å; M32-L56 HydrophobicContact CE-CG 3.98Å; M32-I58 HydrophobicContact CB-CD1 3.71Å; M32-I58 HydrophobicContact CE-CD1 3.99Å; M32-I58 HydrophobicContact CE-CG1 4.46Å; M32-I58 HydrophobicContact SD-CD1 4.4Å; M32-I104 HydrophobicContact CG-CD1 4.24Å; M32-I147 HydrophobicContact CG-CD1 4.09Å; M32-I147 HydrophobicContact SD-CB 3.92Å; M32-I147 HydrophobicContact SD-CD1 4.15Å; M32-I147 HydrophobicContact SD-CG2 3.6Å; M32-V149 HydrophobicContact CE-CG2 3.94Å; M32-V149 HydrophobicContact SD-CG2 4.01Å
33	I	93.4	Very high	91.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-43.6	174.2	-71	173.5	0	0	0	110.9	V29 K30 N35 C36 L37 I44 V46 I58 V177 Y180 F189	V29-I33 HydrophobicContact CG1-CD1 3.52Å; V29-I33 HydrophobicContact CG1-CG1 4.24Å; V29-I33 WeakPolarHBondContact O-CB 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.27Å; K30-I33 PolarHBondContact O-N 2.88Å; I33-N35 PolarHBondContact O-N 3.33Å; I33-C36 PolarHBondContact O-N 2.96Å; I33-C36 VanDerWaalsContact O-N 3.14Å; I33-L37 HydrophobicContact CG2-CD1 3.76Å; I33-L37 HydrophobicContact CG2-CG 4.24Å; I33-L37 WeakPolarHBondContact O-CB 3.42Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.28Å; I33-I44 HydrophobicContact CG1-CG2 4.43Å; I33-V46 HydrophobicContact CD1-CG2 4.44Å; I33-I58 HydrophobicContact CG1-CD1 4.29Å; I33-V177 HydrophobicContact CD1-CB 4.45Å; I33-V177 HydrophobicContact CD1-CG2 3.74Å; I33-Y180 HydrophobicContact CG2-CD1 3.9Å; I33-Y180 HydrophobicContact CG2-CE1 4.5Å; I33-Y180 HydrophobicContact CG2-CG 4.11Å; I33-F189 HydrophobicContact CG2-CE1 3.99Å
34	E	90.4	Very high	92	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-54	-42	172.5	-76	-171.1	-171	0	0	111.5	K30 L37 D38 Y94 Y180 K308	K30-E34 IonicContact NZ-OE1 3.86Å; K30-E34 PolarHBondContact NZ-OE1 3.07Å; K30-E34 WeakPolarHBondContact O-CB 3.25Å; K30-E34 VanDerWaalsContact O-CG 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.37Å; K30-E34 PolarHBondContact O-N 3.44Å; E34-L37 PolarHBondContact O-N 3.33Å; E34-D38 PolarHBondContact O-N 2.93Å; E34-Y94 HydrophobicContact CB-CD1 4.39Å; E34-Y94 HydrophobicContact CB-CG 4.33Å; E34-Y94 HydrophobicContact CG-CD1 3.82Å; E34-Y94 HydrophobicContact CG-CG 4.22Å; E34-Y180 HydrophobicContact CG-CE1 4.04Å; E34-Y180 PolarHBondContact OE1-OH 2.67Å; E34-K308 IonicContact OE2-NZ 2.78Å; E34-K308 PolarHBondContact OE2-NZ 2.94Å
35	N	90.7	Very high	92.3	Very high	41 Å²	41	24.4 Å²	24.4	22%	0.219	13%	0.127	C	C	.	.	H	α-helix	trans	-69	-39.5	175.3	-76	-63.3	0	0	0	113.7	E31 M32 I33 L37 D38 A39 K81	E31-N35 PolarHBondContact O-N 2.77Å; E31-N35 VanDerWaalsContact O-N 3.12Å; E31-N35 PolarHBondContact O-ND2 3.29Å; M32-N35 WeakPolarHBondContact O-CB 3.45Å; M32-N35 PolarHBondContact O-N 2.94Å; M32-N35 VanDerWaalsContact O-N 3.16Å; I33-N35 PolarHBondContact O-N 3.33Å; N35-L37 VanDerWaalsContact C-N 3.3Å; N35-L37 PolarHBondContact O-N 3.02Å; N35-D38 PolarHBondContact O-N 2.84Å; N35-A39 VanDerWaalsContact O-CB 3.31Å; N35-A39 WeakPolarHBondContact O-CB 3.26Å; N35-A39 PolarHBondContact O-N 2.99Å; N35-K81 PolarHBondContact OD1-NZ 3.01Å
36	C	92.9	Very high	92.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-36.7	174.1	-62.1	0	0	0	0	111.9	M32 I33 A39 K40 A41 I44 D60	M32-C36 PolarHBondContact O-N 3.17Å; M32-C36 PolarHBondContact O-SG 2.67Å; I33-C36 PolarHBondContact O-N 2.96Å; I33-C36 VanDerWaalsContact O-N 3.14Å; C36-A39 CarbonylContact O-C 3.6Å; C36-A39 PolarHBondContact O-N 3.41Å; C36-K40 PolarHBondContact O-N 3.07Å; C36-A41 HydrophobicContact CB-CB 4.3Å; C36-A41 WeakPolarHBondContact O-CB 3.27Å; C36-A41 PolarHBondContact O-N 3.01Å; C36-I44 HydrophobicContact CB-CD1 3.68Å; C36-I44 HydrophobicContact CB-CG1 4.03Å; C36-D60 HydrophobicContact CB-CB 3.93Å; C36-D60 PolarHBondContact SG-OD2 3.38Å
37	L	91	Very high	92.7	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.052	13%	0.129	C	C	.	.	H	α-helix	trans	-71.6	-42.6	177.7	-67.4	171.3	0	0	0	112	I33 E34 N35 A39 K40 I44 Y94 Y180 N184 K187 F189	I33-L37 HydrophobicContact CG2-CD1 3.76Å; I33-L37 HydrophobicContact CG2-CG 4.24Å; I33-L37 WeakPolarHBondContact O-CB 3.42Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.28Å; E34-L37 PolarHBondContact O-N 3.33Å; N35-L37 VanDerWaalsContact C-N 3.3Å; N35-L37 PolarHBondContact O-N 3.02Å; L37-A39 VanDerWaalsContact C-N 3.26Å; L37-A39 PolarHBondContact O-N 2.91Å; L37-K40 PolarHBondContact O-N 3.4Å; L37-I44 HydrophobicContact CD2-CD1 3.85Å; L37-I44 HydrophobicContact CG-CD1 4.09Å; L37-Y94 HydrophobicContact CB-CD2 4.29Å; L37-Y94 HydrophobicContact CB-CE2 3.99Å; L37-Y94 HydrophobicContact CD1-CE1 3.89Å; L37-Y180 HydrophobicContact CD1-CD1 3.79Å; L37-Y180 HydrophobicContact CD1-CE1 4.29Å; L37-N184 WeakPolarHBondContact CD2-OD1 3.5Å; L37-K187 HydrophobicContact CD2-CD 3.74Å; L37-F189 HydrophobicContact CD2-CZ 4.17Å
38	D	89.5	Confident	93	Very high	33 Å²	33	24.1 Å²	24.1	18%	0.176	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-36.6	170	-76.3	-31.6	0	0	0	111.6	E34 N35 K40 K81 T93 Y94 G95	E34-D38 PolarHBondContact O-N 2.93Å; N35-D38 PolarHBondContact O-N 2.84Å; D38-K40 PolarHBondContact O-N 3.17Å; D38-K40 VanDerWaalsContact O-N 3.15Å; D38-K81 WeakPolarHBondContact OD2-CE 3.28Å; D38-K81 IonicContact OD2-NZ 3.07Å; D38-K81 PolarHBondContact OD2-NZ 3.07Å; D38-T93 WeakPolarHBondContact OD1-CA 3.16Å; D38-T93 WeakPolarHBondContact OD1-CB 3.47Å; D38-Y94 WeakPolarHBondContact OD1-CD2 3.35Å; D38-Y94 PolarHBondContact OD1-N 2.99Å; D38-Y94 PolarHBondContact OD2-N 2.92Å; D38-G95 PolarHBondContact OD2-N 2.75Å
39	A	90.3	Very high	93.1	Very high	22 Å²	22	28 Å²	28	18%	0.182	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	11.4	173.7	0	0	0	0	0	114.2	N35 C36 L37 A41 G62 T63	N35-A39 VanDerWaalsContact O-CB 3.31Å; N35-A39 WeakPolarHBondContact O-CB 3.26Å; N35-A39 PolarHBondContact O-N 2.99Å; C36-A39 CarbonylContact O-C 3.6Å; C36-A39 PolarHBondContact O-N 3.41Å; L37-A39 VanDerWaalsContact C-N 3.26Å; L37-A39 PolarHBondContact O-N 2.91Å; A39-A41 VanDerWaalsContact C-N 3.28Å; A39-A41 PolarHBondContact O-N 3.08Å; A39-G62 CarbonylContact O-C 3.53Å; A39-G62 WeakPolarHBondContact O-CA 3.45Å; A39-T63 PolarHBondContact O-N 2.91Å
40	K	91.5	Very high	92.9	Very high	171 Å²	171	31.8 Å²	31.8	74%	0.743	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	29.9	177.2	-55.4	-176	-179	-179.7	0	114.9	C36 L37 D38	C36-K40 PolarHBondContact O-N 3.07Å; L37-K40 PolarHBondContact O-N 3.4Å; D38-K40 PolarHBondContact O-N 3.17Å; D38-K40 VanDerWaalsContact O-N 3.15Å
41	A	94.2	Very high	92.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.			trans	-62	146.3	174	0	0	0	0	0	112.3	C36 A39 I44 D60 K187	C36-A41 HydrophobicContact CB-CB 4.3Å; C36-A41 WeakPolarHBondContact O-CB 3.27Å; C36-A41 PolarHBondContact O-N 3.01Å; A39-A41 VanDerWaalsContact C-N 3.28Å; A39-A41 PolarHBondContact O-N 3.08Å; A41-I44 HydrophobicContact CB-CD1 4.28Å; A41-I44 HydrophobicContact CB-CG1 3.96Å; A41-D60 HydrophobicContact CB-CB 3.77Å; A41-K187 WeakPolarHBondContact O-CD 3.47Å
42	T	93.7	Very high	92.7	Very high	75 Å²	75	31.4 Å²	31.4	46%	0.46	16%	0.162	S	C	.	.	S	Bend	trans	-114	-15.3	173.6	59.5	0	0	0	0	113.1	N61 K187 S188	T42-N61 PolarHBondContact N-OD1 3.38Å; T42-N61 PolarHBondContact OG1-ND2 2.95Å; T42-K187 CarbonylContact O-C 3.53Å; T42-K187 WeakPolarHBondContact O-CA 3.28Å; T42-S188 PolarHBondContact O-N 3.4Å
43	N	94.9	Very high	92.6	Very high	54 Å²	54	32.1 Å²	32.1	29%	0.289	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.5	173.8	-175	-0.7	0	0	0	109.4	Q45 D60 N61 S188	N43-Q45 PolarHBondContact ND2-NE2 3.45Å; N43-D60 WeakPolarHBondContact O-CA 3.15Å; N43-N61 PolarHBondContact N-OD1 2.87Å; N43-N61 PolarHBondContact O-N 2.97Å; N43-N61 PolarHBondContact O-OD1 3.39Å; N43-S188 CarbonylContact C-O 3.55Å; N43-S188 WeakPolarHBondContact CA-O 3.24Å; N43-S188 WeakPolarHBondContact CA-OG 3.45Å; N43-S188 WeakPolarHBondContact CB-OG 3.49Å; N43-S188 VanDerWaalsContact CG-OG 3.27Å; N43-S188 PolarHBondContact OD1-O 3.09Å; N43-S188 PolarHBondContact OD1-OG 3.02Å
44	I	96.1	Very high	92.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.3	-178.6	-59.5	172.5	0	0	0	108.6	I33 C36 L37 A41 I58 Q59 D60 S188 F189 S190	I33-I44 HydrophobicContact CG1-CG2 4.43Å; C36-I44 HydrophobicContact CB-CD1 3.68Å; C36-I44 HydrophobicContact CB-CG1 4.03Å; L37-I44 HydrophobicContact CD2-CD1 3.85Å; L37-I44 HydrophobicContact CG-CD1 4.09Å; A41-I44 HydrophobicContact CB-CD1 4.28Å; A41-I44 HydrophobicContact CB-CG1 3.96Å; I44-I58 HydrophobicContact CG2-CG2 4.14Å; I44-Q59 CarbonylContact C-O 3.35Å; I44-Q59 WeakPolarHBondContact CA-O 3.15Å; I44-D60 HydrophobicContact CG1-CB 4.49Å; I44-S188 PolarHBondContact N-O 3.33Å; I44-F189 HydrophobicContact CB-CD1 4.16Å; I44-F189 HydrophobicContact CB-CE1 4.37Å; I44-F189 HydrophobicContact CD1-CD1 4.49Å; I44-F189 HydrophobicContact CD1-CE1 3.85Å; I44-F189 HydrophobicContact CD1-CZ 4.16Å; I44-F189 HydrophobicContact CG2-CD1 4.44Å; I44-F189 CarbonylContact O-C 3.4Å; I44-F189 VanDerWaalsContact O-CA 3.3Å; I44-F189 WeakPolarHBondContact O-CA 3.5Å; I44-S190 PolarHBondContact O-N 3.42Å
45	Q	95.5	Very high	92.8	Very high	65 Å²	65	38 Å²	38	30%	0.304	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122	-175.8	-53.2	-176.5	29.7	0	0	110.1	N43 I58 Q59	N43-Q45 PolarHBondContact ND2-NE2 3.45Å; Q45-I58 WeakPolarHBondContact O-CA 3.14Å; Q45-Q59 PolarHBondContact N-O 2.69Å; Q45-Q59 PolarHBondContact O-N 3.15Å
46	V	96.6	Very high	93	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.2	-180	-172.7	0	0	0	0	108.8	I33 V48 L56 Q57 I58 I173 V177 S190 V191 K192	I33-V46 HydrophobicContact CD1-CG2 4.44Å; V46-V48 HydrophobicContact CG1-CG2 3.87Å; V46-L56 HydrophobicContact CG1-CD1 3.99Å; V46-Q57 CarbonylContact C-O 3.51Å; V46-Q57 WeakPolarHBondContact CA-O 3.43Å; V46-I58 HydrophobicContact CB-CG1 4.46Å; V46-I58 HydrophobicContact CG1-CD1 4.41Å; V46-I58 HydrophobicContact CG1-CG1 4.1Å; V46-I58 HydrophobicContact CG2-CD1 4.2Å; V46-I58 HydrophobicContact CG2-CG1 4.1Å; V46-I173 HydrophobicContact CG1-CG2 4.3Å; V46-V177 HydrophobicContact CG2-CG2 3.99Å; V46-S190 PolarHBondContact N-O 3.42Å; V46-V191 HydrophobicContact CB-CG1 4.42Å; V46-V191 HydrophobicContact CB-CG2 4.4Å; V46-V191 WeakPolarHBondContact O-CA 3.31Å; V46-K192 PolarHBondContact O-N 2.86Å
47	T	96	Very high	93.2	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.098	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.6	174.7	-61.3	0	0	0	0	109.6	Q57 K192 Q194	T47-Q57 PolarHBondContact N-O 3.27Å; T47-Q57 PolarHBondContact O-N 3.28Å; T47-K192 WeakPolarHBondContact CA-O 3.49Å; T47-K192 HydrophobicContact CG2-CG 4.33Å; T47-K192 WeakPolarHBondContact OG1-CE 3.37Å; T47-Q194 HydrophobicContact CG2-CB 3.92Å; T47-Q194 HydrophobicContact CG2-CG 4.39Å
48	V	96	Very high	93.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.6	-168.3	-166.7	0	0	0	0	110.9	V46 L55 L56 Y170 I173 V191 K192 K193 Q194	V46-V48 HydrophobicContact CG1-CG2 3.87Å; V48-L55 CarbonylContact C-O 3.54Å; V48-L56 HydrophobicContact CG2-CD1 4.1Å; V48-Y170 HydrophobicContact CB-CD2 3.86Å; V48-Y170 HydrophobicContact CB-CE2 3.77Å; V48-Y170 HydrophobicContact CG1-CD2 3.9Å; V48-Y170 HydrophobicContact CG1-CE2 4.33Å; V48-Y170 HydrophobicContact CG2-CD2 4.15Å; V48-Y170 HydrophobicContact CG2-CE2 3.84Å; V48-I173 HydrophobicContact CG1-CD1 3.78Å; V48-I173 HydrophobicContact CG2-CD1 4.31Å; V48-I173 HydrophobicContact CG2-CG2 3.99Å; V48-V191 HydrophobicContact CG2-CG1 4.44Å; V48-K192 PolarHBondContact N-O 3.49Å; V48-K193 CarbonylContact O-C 3.51Å; V48-K193 VanDerWaalsContact O-CA 3.28Å; V48-K193 WeakPolarHBondContact O-CA 3.28Å; V48-Q194 PolarHBondContact O-N 3.01Å
49	K	94.6	Very high	93.7	Very high	83 Å²	83	39 Å²	39	36%	0.361	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.4	168.1	-169.6	156.6	179	159.5	0	110.4	G51 G52 K54 L55 Q194	K49-G51 PolarHBondContact O-N 2.96Å; K49-G52 PolarHBondContact O-N 3.46Å; K49-K54 HydrophobicContact CG-CB 4.49Å; K49-K54 PolarHBondContact O-N 2.68Å; K49-L55 HydrophobicContact CB-CB 3.64Å; K49-L55 PolarHBondContact N-O 2.95Å; K49-L55 PolarHBondContact O-N 2.65Å; K49-Q194 HydrophobicContact CB-CB 4.2Å; K49-Q194 HydrophobicContact CD-CB 4.15Å
50	D	90.7	Very high	94	Very high	78 Å²	78	38.6 Å²	38.6	42%	0.417	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	53.8	56.7	173.6	-161.9	28	0	0	0	111.5	G52 L53 K54 P166	D50-G52 PolarHBondContact O-N 3.14Å; D50-L53 VanDerWaalsContact O-CB 3.25Å; D50-L53 WeakPolarHBondContact O-CB 3.3Å; D50-L53 WeakPolarHBondContact O-CG 3.27Å; D50-L53 PolarHBondContact O-N 2.89Å; D50-K54 HydrophobicContact CB-CB 3.74Å; D50-P166 WeakPolarHBondContact OD1-CB 3.42Å; D50-P166 VanDerWaalsContact OD1-CG 3.23Å; D50-P166 WeakPolarHBondContact OD1-CG 3.2Å
51	G	87.3	Confident	94.2	Very high	4 Å²	4	33.5 Å²	33.5	4%	0.041	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	64.8	6	-177.1	0	0	0	0	0	116.1	P25 K49 L53 P166 I173	P25-G51 WeakPolarHBondContact CB-O 3.4Å; P25-G51 WeakPolarHBondContact CG-O 3.39Å; K49-G51 PolarHBondContact O-N 2.96Å; G51-L53 VanDerWaalsContact C-N 3.35Å; G51-P166 WeakPolarHBondContact CA-O 3.34Å; G51-P166 PolarHBondContact N-O 2.99Å; G51-I173 WeakPolarHBondContact O-CD1 3.41Å
52	G	89	Confident	94.2	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	87.9	4	-170	0	0	0	0	0	113.4	K49 D50	K49-G52 PolarHBondContact O-N 3.46Å; D50-G52 PolarHBondContact O-N 3.14Å
53	L	89.7	Confident	94.2	Very high	15 Å²	15	34 Å²	34	8%	0.079	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-40.8	175.4	-54.1	178.1	0	0	0	111.2	P25 D50 G51 D151 L152 L163	P25-L53 HydrophobicContact CG-CD2 3.9Å; D50-L53 VanDerWaalsContact O-CB 3.25Å; D50-L53 WeakPolarHBondContact O-CB 3.3Å; D50-L53 WeakPolarHBondContact O-CG 3.27Å; D50-L53 PolarHBondContact O-N 2.89Å; G51-L53 VanDerWaalsContact C-N 3.35Å; L53-D151 CarbonylContact O-C 3.45Å; L53-D151 WeakPolarHBondContact O-CA 3.48Å; L53-L152 PolarHBondContact O-N 3.21Å; L53-L163 HydrophobicContact CD2-CD1 3.53Å
54	K	92.9	Very high	94.1	Very high	114 Å²	114	32.1 Å²	32.1	50%	0.496	17%	0.166	S	C	.	.	S	Bend	trans	-90.3	-43.6	-178.7	-172.7	159.4	-171.4	159.1	0	112.9	K49 D50 D151	K49-K54 HydrophobicContact CG-CB 4.49Å; K49-K54 PolarHBondContact O-N 2.68Å; D50-K54 HydrophobicContact CB-CB 3.74Å; K54-D151 PolarHBondContact O-N 3.42Å
55	L	95.1	Very high	94	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.058	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.8	177	-163	71	0	0	0	110.9	V48 K49 L148 V149 E150	V48-L55 CarbonylContact C-O 3.54Å; K49-L55 HydrophobicContact CB-CB 3.64Å; K49-L55 PolarHBondContact N-O 2.95Å; K49-L55 PolarHBondContact O-N 2.65Å; L55-L148 HydrophobicContact CD1-CD1 3.67Å; L55-L148 HydrophobicContact CD1-CG 4.04Å; L55-L148 HydrophobicContact CD2-CD1 4.43Å; L55-L148 HydrophobicContact CG-CD1 4.16Å; L55-V149 WeakPolarHBondContact CA-O 3.26Å; L55-E150 HydrophobicContact CD1-CG 3.39Å
56	L	96.1	Very high	93.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	113.4	163.7	175.3	61.9	0	0	0	108.7	A28 V29 M32 V46 V48 V149	A28-L56 HydrophobicContact CB-CD2 4.27Å; V29-L56 HydrophobicContact CG2-CD1 3.63Å; V29-L56 HydrophobicContact CG2-CD2 3.51Å; V29-L56 HydrophobicContact CG2-CG 4.17Å; M32-L56 HydrophobicContact CE-CD2 3.48Å; M32-L56 VanDerWaalsContact CE-CD2 3.48Å; M32-L56 HydrophobicContact CE-CG 3.98Å; V46-L56 HydrophobicContact CG1-CD1 3.99Å; V48-L56 HydrophobicContact CG2-CD1 4.1Å; L56-V149 HydrophobicContact CB-CB 4.32Å; L56-V149 PolarHBondContact N-O 3.2Å; L56-V149 PolarHBondContact O-N 3.34Å
57	Q	95.9	Very high	93.7	Very high	36 Å²	36	42.3 Å²	42.3	17%	0.168	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.5	176	-176.2	179.2	-43.4	0	0	109.5	V46 T47 Q146 I147 L148	V46-Q57 CarbonylContact C-O 3.51Å; V46-Q57 WeakPolarHBondContact CA-O 3.43Å; T47-Q57 PolarHBondContact N-O 3.27Å; T47-Q57 PolarHBondContact O-N 3.28Å; Q57-Q146 VanDerWaalsContact CD-NE2 3.33Å; Q57-Q146 HydrophobicContact CG-CG 3.96Å; Q57-I147 WeakPolarHBondContact CA-O 3.32Å; Q57-L148 HydrophobicContact CB-CD1 3.65Å; Q57-L148 HydrophobicContact CG-CD1 3.84Å
58	I	96.6	Very high	93.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.9	168.9	-63.3	-172.7	0	0	0	108.5	V29 M32 I33 I44 Q45 V46 Q146 I147	V29-I58 HydrophobicContact CB-CD1 4.49Å; V29-I58 HydrophobicContact CG1-CD1 4.24Å; V29-I58 HydrophobicContact CG2-CD1 4.41Å; M32-I58 HydrophobicContact CB-CD1 3.71Å; M32-I58 HydrophobicContact CE-CD1 3.99Å; M32-I58 HydrophobicContact CE-CG1 4.46Å; M32-I58 HydrophobicContact SD-CD1 4.4Å; I33-I58 HydrophobicContact CG1-CD1 4.29Å; I44-I58 HydrophobicContact CG2-CG2 4.14Å; Q45-I58 WeakPolarHBondContact O-CA 3.14Å; V46-I58 HydrophobicContact CB-CG1 4.46Å; V46-I58 HydrophobicContact CG1-CD1 4.41Å; V46-I58 HydrophobicContact CG1-CG1 4.1Å; V46-I58 HydrophobicContact CG2-CD1 4.2Å; V46-I58 HydrophobicContact CG2-CG1 4.1Å; I58-Q146 CarbonylContact O-C 3.53Å; I58-Q146 VanDerWaalsContact O-CA 3.29Å; I58-Q146 WeakPolarHBondContact O-CA 3.29Å; I58-I147 PolarHBondContact N-O 2.96Å; I58-I147 PolarHBondContact O-N 3.34Å
59	Q	96.1	Very high	93.2	Very high	67 Å²	67	50.1 Å²	50.1	31%	0.313	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.8	179.4	-178.1	175.9	6.8	0	0	110.1	I44 Q45 T145 Q146	I44-Q59 CarbonylContact C-O 3.35Å; I44-Q59 WeakPolarHBondContact CA-O 3.15Å; Q45-Q59 PolarHBondContact N-O 2.69Å; Q45-Q59 PolarHBondContact O-N 3.15Å; Q59-T145 CarbonylContact C-O 3.6Å; Q59-T145 WeakPolarHBondContact CA-O 3.27Å; Q59-Q146 HydrophobicContact CB-CB 4.36Å; Q59-Q146 HydrophobicContact CB-CG 4.26Å; Q59-Q146 HydrophobicContact CG-CB 4.27Å
60	D	96.4	Very high	93	Very high	14 Å²	14	46.2 Å²	46.2	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	171.9	176.9	72.3	58.3	0	0	0	112.6	C36 A41 N43 I44 G62 G144 T145	C36-D60 HydrophobicContact CB-CB 3.93Å; C36-D60 PolarHBondContact SG-OD2 3.38Å; A41-D60 HydrophobicContact CB-CB 3.77Å; N43-D60 WeakPolarHBondContact O-CA 3.15Å; I44-D60 HydrophobicContact CG1-CB 4.49Å; D60-G62 PolarHBondContact OD1-N 3.08Å; D60-G144 WeakPolarHBondContact OD1-CA 3.37Å; D60-T145 PolarHBondContact N-O 2.56Å; D60-T145 PolarHBondContact OD1-N 2.65Å
61	N	95.4	Very high	92.9	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	24%	0.235	S	C	.	.			trans	-116.8	28.7	170.8	70.1	-22.3	0	0	0	112.6	T42 N43	T42-N61 PolarHBondContact N-OD1 3.38Å; T42-N61 PolarHBondContact OG1-ND2 2.95Å; N43-N61 PolarHBondContact N-OD1 2.87Å; N43-N61 PolarHBondContact O-N 2.97Å; N43-N61 PolarHBondContact O-OD1 3.39Å
62	G	94.1	Very high	93.1	Very high	5 Å²	5	51.9 Å²	51.9	5%	0.052	25%	0.251	C	S	.	.	S	Bend	trans	-73.7	-161.8	-177.1	0	0	0	0	0	113.8	A39 D60 G64 Q143 G144	A39-G62 CarbonylContact O-C 3.53Å; A39-G62 WeakPolarHBondContact O-CA 3.45Å; D60-G62 PolarHBondContact OD1-N 3.08Å; G62-G64 PolarHBondContact O-N 3.38Å; G62-Q143 PolarHBondContact O-NE2 3.13Å; G62-G144 WeakPolarHBondContact O-CA 3.5Å
63	T	94	Very high	93.2	Very high	81 Å²	81	53 Å²	53	50%	0.497	26%	0.258	S	S	.	.	S	Bend	trans	-64.1	-20.2	-178.4	54.9	0	0	0	0	114.9	A39 T116 Q143	A39-T63 PolarHBondContact O-N 2.91Å; T63-T116 WeakPolarHBondContact O-CA 3.15Å; T63-Q143 PolarHBondContact O-NE2 3.26Å
64	G	93.1	Very high	93.1	Very high	13 Å²	13	52.3 Å²	52.3	13%	0.134	26%	0.255	C	S	.	.			trans	75.2	177.2	-168.5	0	0	0	0	0	112.8	G62 T114	G62-G64 PolarHBondContact O-N 3.38Å; G64-T114 WeakPolarHBondContact CA-OG1 3.13Å
65	I	93.9	Very high	92.9	Very high	38 Å²	38	50.9 Å²	50.9	20%	0.195	25%	0.25	C	C	.	.			trans	-114.9	141.1	176.9	-59.4	155.2	0	0	0	107.4	D69 V73 I112 T114 T116 T145	I65-D69 HydrophobicContact CG2-CB 3.88Å; I65-V73 HydrophobicContact CD1-CG2 4.25Å; I65-V73 HydrophobicContact CG2-CG2 4.39Å; I65-I112 HydrophobicContact CD1-CG2 4.17Å; I65-T114 HydrophobicContact CB-CG2 3.96Å; I65-T114 PolarHBondContact N-OG1 3.24Å; I65-T114 WeakPolarHBondContact O-CG2 3.22Å; I65-T116 WeakPolarHBondContact O-CG2 3.32Å; I65-T145 HydrophobicContact CD1-CG2 4.01Å
66	R	93	Very high	92.4	Very high	148 Å²	148	53.2 Å²	53.2	56%	0.558	26%	0.258	S	S	*	.			trans	-73.3	160.6	-179.1	-51.4	176.9	170	173.2	-2.9	110.8	E68 D69 M70 T116	R66-E68 VanDerWaalsContact CB-CD 3.46Å; R66-E68 HydrophobicContact CB-CG 3.98Å; R66-E68 WeakPolarHBondContact CD-OE1 3.5Å; R66-E68 PolarHBondContact O-N 3.42Å; R66-D69 HydrophobicContact CB-CB 4.49Å; R66-D69 VanDerWaalsContact CB-OD2 3.23Å; R66-D69 WeakPolarHBondContact CB-OD2 3.43Å; R66-D69 WeakPolarHBondContact CG-OD2 3.44Å; R66-D69 PolarHBondContact N-OD2 2.98Å; R66-D69 PolarHBondContact O-N 3.11Å; R66-M70 VanDerWaalsContact O-CG 3.29Å; R66-M70 WeakPolarHBondContact O-CG 3.46Å; R66-M70 PolarHBondContact O-N 3.08Å; R66-T116 HydrophobicContact CG-CG2 4.21Å
67	K	91.1	Very high	91.7	Very high	96 Å²	96	59.9 Å²	59.9	42%	0.417	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-41.9	-175.5	-175.4	-164.3	177.7	178.2	0	111.3	M70 Y123	K67-M70 VanDerWaalsContact O-CB 3.3Å; K67-M70 WeakPolarHBondContact O-CB 3.49Å; K67-M70 WeakPolarHBondContact O-CG 3.38Å; K67-M70 PolarHBondContact O-N 3.19Å; K67-Y123 HydrophobicContact CB-CD2 4.25Å; K67-Y123 HydrophobicContact CB-CE2 4.32Å; K67-Y123 HydrophobicContact CD-CD1 4.29Å; K67-Y123 HydrophobicContact CD-CD2 4.34Å; K67-Y123 HydrophobicContact CD-CE1 3.8Å; K67-Y123 HydrophobicContact CD-CE2 3.86Å; K67-Y123 VanDerWaalsContact CE-CE1 3.43Å; K67-Y123 HydrophobicContact CG-CD1 4.2Å; K67-Y123 HydrophobicContact CG-CD2 4.05Å; K67-Y123 HydrophobicContact CG-CE1 4.22Å; K67-Y123 HydrophobicContact CG-CE2 4.07Å; K67-Y123 HydrophobicContact CG-CG 4.11Å; K67-Y123 PolarHBondContact NZ-OH 3.24Å
68	E	90.9	Very high	91.1	Very high	120 Å²	120	60.4 Å²	60.4	56%	0.561	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-61.2	-41.3	176.1	52.6	-88.3	-146	0	0	112	R66 M70 E71	R66-E68 VanDerWaalsContact CB-CD 3.46Å; R66-E68 HydrophobicContact CB-CG 3.98Å; R66-E68 WeakPolarHBondContact CD-OE1 3.5Å; R66-E68 PolarHBondContact O-N 3.42Å; E68-M70 PolarHBondContact O-N 3.22Å; E68-E71 PolarHBondContact O-N 3.42Å
69	D	91.8	Very high	90.6	Very high	61 Å²	61	63 Å²	63	33%	0.326	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-67.9	-18.6	178.6	-53	-29.1	0	0	0	112.5	I65 R66 E71 I72 V73	I65-D69 HydrophobicContact CG2-CB 3.88Å; R66-D69 HydrophobicContact CB-CB 4.49Å; R66-D69 VanDerWaalsContact CB-OD2 3.23Å; R66-D69 WeakPolarHBondContact CB-OD2 3.43Å; R66-D69 WeakPolarHBondContact CG-OD2 3.44Å; R66-D69 PolarHBondContact N-OD2 2.98Å; R66-D69 PolarHBondContact O-N 3.11Å; D69-E71 PolarHBondContact O-N 3.39Å; D69-E71 VanDerWaalsContact O-N 3.15Å; D69-I72 WeakPolarHBondContact O-CG1 3.46Å; D69-I72 PolarHBondContact O-N 3.27Å; D69-I72 VanDerWaalsContact O-N 3.15Å; D69-V73 WeakPolarHBondContact O-CB 3.45Å; D69-V73 PolarHBondContact O-N 3.43Å
70	M	89.2	Confident	89.9	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-65.3	-14.4	-179	-56.4	-170.9	85.3	0	0	114	R66 K67 E68 T114 A125 Y127 P136	R66-M70 VanDerWaalsContact O-CG 3.29Å; R66-M70 WeakPolarHBondContact O-CG 3.46Å; R66-M70 PolarHBondContact O-N 3.08Å; K67-M70 VanDerWaalsContact O-CB 3.3Å; K67-M70 WeakPolarHBondContact O-CB 3.49Å; K67-M70 WeakPolarHBondContact O-CG 3.38Å; K67-M70 PolarHBondContact O-N 3.19Å; E68-M70 PolarHBondContact O-N 3.22Å; M70-T114 HydrophobicContact CE-CG2 3.82Å; M70-T114 HydrophobicContact SD-CG2 4.17Å; M70-A125 HydrophobicContact CE-CB 3.53Å; M70-Y127 WeakPolarHBondContact O-CE1 3.43Å; M70-Y127 PolarHBondContact O-OH 3.03Å; M70-Y127 VanDerWaalsContact O-OH 3.04Å; M70-P136 HydrophobicContact CB-CG 4.05Å; M70-P136 HydrophobicContact SD-CB 3.85Å; M70-P136 HydrophobicContact SD-CG 4.15Å
71	E	89.9	Confident	89.1	Confident	125 Å²	125	67 Å²	67	58%	0.584	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-77	-32.6	175.1	-62.3	-171.8	175.3	0	0	111.6	E68 D69 L132	E68-E71 PolarHBondContact O-N 3.42Å; D69-E71 PolarHBondContact O-N 3.39Å; D69-E71 VanDerWaalsContact O-N 3.15Å; E71-L132 HydrophobicContact CG-CD2 4.2Å
72	I	90.3	Very high	88.2	Confident	76 Å²	76	65.5 Å²	65.5	39%	0.39	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-11	-171.3	58.3	171.2	0	0	0	114.8	D69 C74 E75 T78	D69-I72 WeakPolarHBondContact O-CG1 3.46Å; D69-I72 PolarHBondContact O-N 3.27Å; D69-I72 VanDerWaalsContact O-N 3.15Å; I72-C74 PolarHBondContact O-N 3.27Å; I72-C74 VanDerWaalsContact O-N 3.08Å; I72-E75 WeakPolarHBondContact O-CB 3.47Å; I72-E75 PolarHBondContact O-N 2.89Å; I72-T78 HydrophobicContact CB-CG2 4.13Å; I72-T78 HydrophobicContact CD1-CG2 3.89Å; I72-T78 HydrophobicContact CG1-CG2 3.91Å; I72-T78 WeakPolarHBondContact O-CB 3.28Å; I72-T78 WeakPolarHBondContact O-CG2 3.41Å; I72-T78 PolarHBondContact O-OG1 3.17Å; I72-T78 VanDerWaalsContact O-OG1 3.05Å
73	V	90.7	Very high	87.1	Confident	27 Å²	27	74.3 Å²	74.3	16%	0.164	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.4	-173.3	67.6	0	0	0	0	115.5	I65 D69 L101 I112 Y127	I65-V73 HydrophobicContact CD1-CG2 4.25Å; I65-V73 HydrophobicContact CG2-CG2 4.39Å; D69-V73 WeakPolarHBondContact O-CB 3.45Å; D69-V73 PolarHBondContact O-N 3.43Å; V73-L101 HydrophobicContact CG2-CD1 3.91Å; V73-I112 HydrophobicContact CG1-CD1 4.08Å; V73-Y127 HydrophobicContact CG1-CE1 4.05Å; V73-Y127 VanDerWaalsContact CG1-OH 3.25Å; V73-Y127 WeakPolarHBondContact CG1-OH 3.08Å
74	C	89.4	Confident	86.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	6.8	176.3	-70.6	0	0	0	0	113.2	I72 A102 Y127 G130	I72-C74 PolarHBondContact O-N 3.27Å; I72-C74 VanDerWaalsContact O-N 3.08Å; C74-A102 WeakPolarHBondContact O-CA 3.34Å; C74-A102 WeakPolarHBondContact O-CB 3.42Å; C74-Y127 HydrophobicContact CB-CD1 3.63Å; C74-Y127 HydrophobicContact CB-CE1 4.07Å; C74-Y127 HydrophobicContact CB-CG 3.99Å; C74-Y127 VanDerWaalsContact SG-CG 3.55Å; C74-G130 CarbonylContact C-O 3.59Å; C74-G130 WeakPolarHBondContact CB-O 3.2Å; C74-G130 WeakPolarHBondContact O-CA 3.48Å
75	E	88.1	Confident	85	Confident	84 Å²	84	81.5 Å²	81.5	39%	0.393	40%	0.397	S	S	.	.	S	Bend	trans	-83.4	155.2	172.3	-59	-164.5	135.9	0	0	111.1	I72	I72-E75 WeakPolarHBondContact O-CB 3.47Å; I72-E75 PolarHBondContact O-N 2.89Å
76	R	83.9	Confident	83.8	Confident	60 Å²	60	87.2 Å²	87.2	23%	0.226	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	141.9	-178.7	-64.7	-172.6	76.1	169.5	4	110.3	N14 T78 E99 A102	N14-R76 WeakPolarHBondContact OD1-CD 3.47Å; N14-R76 PolarHBondContact OD1-NH1 3.06Å; R76-T78 PolarHBondContact O-N 3.13Å; R76-E99 IonicContact CZ-OE1 2.82Å; R76-E99 IonicContact NE-OE1 3.93Å; R76-E99 IonicContact NH2-OE1 2.66Å; R76-E99 PolarHBondContact NH2-OE1 3.33Å; R76-A102 HydrophobicContact CG-CB 3.78Å
77	F	82.6	Confident	82.6	Confident	140 Å²	140	82.8 Å²	82.8	61%	0.614	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	3.2	179.8	-41	-60.9	0	0	0	115.1	T79 G98 E99	F77-T79 PolarHBondContact O-N 3.37Å; F77-G98 PolarHBondContact N-O 3.12Å; F77-E99 HydrophobicContact CD1-CG 4.29Å; F77-E99 HydrophobicContact CE1-CG 4.21Å
78	T	83.4	Confident	81.5	Confident	48 Å²	48	81.3 Å²	81.3	29%	0.294	41%	0.407	S	S	.	.			trans	-71.5	118.2	168.2	-55.6	0	0	0	0	110	I72 R76 G98	I72-T78 HydrophobicContact CB-CG2 4.13Å; I72-T78 HydrophobicContact CD1-CG2 3.89Å; I72-T78 HydrophobicContact CG1-CG2 3.91Å; I72-T78 WeakPolarHBondContact O-CB 3.28Å; I72-T78 WeakPolarHBondContact O-CG2 3.41Å; I72-T78 PolarHBondContact O-OG1 3.17Å; I72-T78 VanDerWaalsContact O-OG1 3.05Å; R76-T78 PolarHBondContact O-N 3.13Å; T78-G98 WeakPolarHBondContact O-CA 3.38Å
79	T	84.6	Confident	80	Confident	54 Å²	54	79.4 Å²	79.4	33%	0.331	41%	0.407	S	S	.	.			trans	-146.9	145.7	179.3	-171.1	0	0	0	0	111.3	F77 K81 F96	F77-T79 PolarHBondContact O-N 3.37Å; T79-K81 PolarHBondContact OG1-N 3.2Å; T79-F96 WeakPolarHBondContact CB-O 3.28Å; T79-F96 PolarHBondContact OG1-O 3.31Å
80	S	81.8	Confident	78.7	Confident	116 Å²	116	79.6 Å²	79.6	81%	0.811	42%	0.417	S	S	*	.	S	Bend	trans	-100.7	6.1	172.2	54.6	0	0	0	0	112.9
81	K	80.3	Confident	77.6	Confident	50 Å²	50	80.7 Å²	80.7	22%	0.217	42%	0.422	C	S	.	.	S	Bend	trans	-114.5	-12.4	-162.5	-55.3	177.3	-171.1	175.1	0	114.6	N35 D38 T79 T93 G95	N35-K81 PolarHBondContact OD1-NZ 3.01Å; D38-K81 WeakPolarHBondContact OD2-CE 3.28Å; D38-K81 IonicContact OD2-NZ 3.07Å; D38-K81 PolarHBondContact OD2-NZ 3.07Å; T79-K81 PolarHBondContact OG1-N 3.2Å; K81-T93 HydrophobicContact CB-CG2 4.34Å; K81-T93 HydrophobicContact CD-CG2 4.46Å; K81-T93 HydrophobicContact CG-CG2 4.48Å; K81-G95 WeakPolarHBondContact CD-O 3.37Å
82	L	75.4	Confident	76.3	Confident	33 Å²	33	79.3 Å²	79.3	17%	0.173	43%	0.433	C	S	.	.			trans	-135.7	150	169.8	-60.8	179.2	0	0	0	108.5	D87 I91 F96	L82-D87 HydrophobicContact CD2-CB 3.57Å; L82-I91 HydrophobicContact CD2-CG1 4.26Å; L82-F96 HydrophobicContact CD1-CB 3.85Å; L82-F96 HydrophobicContact CD1-CD2 4Å; L82-F96 HydrophobicContact CD1-CG 4.4Å; L82-F96 HydrophobicContact CD2-CB 4.48Å; L82-F96 HydrophobicContact CG-CB 4.06Å
83	Q	72.6	Confident	75.1	Confident	189 Å²	189	77.6 Å²	77.6	88%	0.883	43%	0.426	S	S	*	.	S	Bend	trans	-127.1	-29.2	171.3	-63	-173.5	2.7	0	0	112.1	D87	Q83-D87 PolarHBondContact N-OD2 3.13Å
84	T	73.7	Confident	74	Confident	70 Å²	70	77.5 Å²	77.5	43%	0.429	42%	0.423	S	S	.	.	S	Bend	trans	-121	168.8	179.6	83.9	0	0	0	0	111.9	E86 D87	T84-E86 VanDerWaalsContact C-N 3.33Å; T84-E86 PolarHBondContact OG1-N 3.12Å; T84-E86 VanDerWaalsContact OG1-N 3.12Å; T84-D87 PolarHBondContact N-OD2 3.12Å; T84-D87 PolarHBondContact OG1-N 3.03Å; T84-D87 VanDerWaalsContact OG1-N 3.12Å; T84-D87 PolarHBondContact OG1-OD1 2.96Å
85	F	67.6	Low	73	Confident	175 Å²	175	77.8 Å²	77.8	77%	0.768	43%	0.426	S	S	*	.	S	Bend	trans	-74.7	-25	169.8	-176.5	-97.6	0	0	0	112.4	L88	F85-L88 HydrophobicContact CD2-CD1 4.21Å; F85-L88 HydrophobicContact CE2-CD1 4.17Å; F85-L88 WeakPolarHBondContact O-CB 3.21Å; F85-L88 PolarHBondContact O-N 3.13Å
86	E	69.3	Low	72.1	Confident	158 Å²	158	74.2 Å²	74.2	74%	0.738	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-71.8	-33.8	-179.6	-65.4	172.2	-169.8	0	0	111.1	T84 L88 S89	T84-E86 VanDerWaalsContact C-N 3.33Å; T84-E86 PolarHBondContact OG1-N 3.12Å; T84-E86 VanDerWaalsContact OG1-N 3.12Å; E86-L88 PolarHBondContact O-N 3.41Å; E86-S89 WeakPolarHBondContact O-CB 3.34Å; E86-S89 PolarHBondContact O-N 3.21Å; E86-S89 PolarHBondContact O-OG 3.1Å
87	D	68.2	Low	71.3	Confident	55 Å²	55	75.3 Å²	75.3	29%	0.294	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-52.5	-28.1	171.6	-55.3	-8.6	0	0	0	112.7	L82 Q83 T84 S89 A90 I91	L82-D87 HydrophobicContact CD2-CB 3.57Å; Q83-D87 PolarHBondContact N-OD2 3.13Å; T84-D87 PolarHBondContact N-OD2 3.12Å; T84-D87 PolarHBondContact OG1-N 3.03Å; T84-D87 VanDerWaalsContact OG1-N 3.12Å; T84-D87 PolarHBondContact OG1-OD1 2.96Å; D87-S89 PolarHBondContact O-N 3.06Å; D87-A90 CarbonylContact O-C 3.58Å; D87-A90 PolarHBondContact O-N 2.75Å; D87-I91 PolarHBondContact O-N 3.3Å
88	L	66.9	Low	71	Confident	65 Å²	65	69.5 Å²	69.5	34%	0.34	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-65.5	-22.3	-178.7	-148.1	159.4	0	0	0	111.8	F85 E86 I91	F85-L88 HydrophobicContact CD2-CD1 4.21Å; F85-L88 HydrophobicContact CE2-CD1 4.17Å; F85-L88 WeakPolarHBondContact O-CB 3.21Å; F85-L88 PolarHBondContact O-N 3.13Å; E86-L88 PolarHBondContact O-N 3.41Å; L88-I91 HydrophobicContact CD2-CD1 4.15Å; L88-I91 HydrophobicContact CG-CD1 4.16Å; L88-I91 VanDerWaalsContact O-CD1 3.26Å; L88-I91 WeakPolarHBondContact O-CD1 3.42Å; L88-I91 WeakPolarHBondContact O-CG1 3.36Å
89	S	60.6	Low	71	Confident	81 Å²	81	68.5 Å²	68.5	57%	0.566	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-81.6	-13.2	171.8	70.1	0	0	0	0	114.3	E86 D87	E86-S89 WeakPolarHBondContact O-CB 3.34Å; E86-S89 PolarHBondContact O-N 3.21Å; E86-S89 PolarHBondContact O-OG 3.1Å; D87-S89 PolarHBondContact O-N 3.06Å
90	A	63.4	Low	71	Confident	65 Å²	65	66.5 Å²	66.5	54%	0.537	37%	0.374	S	S	.	.	S	Bend	trans	-122.5	21.8	-170	0	0	0	0	0	113.2	D87 A92	D87-A90 CarbonylContact O-C 3.58Å; D87-A90 PolarHBondContact O-N 2.75Å; A90-A92 PolarHBondContact O-N 3.28Å
91	I	65.8	Low	71.4	Confident	23 Å²	23	62.1 Å²	62.1	12%	0.118	34%	0.341	C	S	.	.			trans	-61.4	106.7	-171.5	-59.1	168	0	0	0	111.6	L82 D87 L88 T93 F96 V302	L82-I91 HydrophobicContact CD2-CG1 4.26Å; D87-I91 PolarHBondContact O-N 3.3Å; L88-I91 HydrophobicContact CD2-CD1 4.15Å; L88-I91 HydrophobicContact CG-CD1 4.16Å; L88-I91 VanDerWaalsContact O-CD1 3.26Å; L88-I91 WeakPolarHBondContact O-CD1 3.42Å; L88-I91 WeakPolarHBondContact O-CG1 3.36Å; I91-T93 WeakPolarHBondContact CG2-O 3.31Å; I91-F96 HydrophobicContact CD1-CB 4.38Å; I91-F96 HydrophobicContact CD1-CD1 3.88Å; I91-F96 HydrophobicContact CD1-CD2 3.92Å; I91-F96 HydrophobicContact CD1-CE1 4.02Å; I91-F96 HydrophobicContact CD1-CE2 4.05Å; I91-F96 HydrophobicContact CD1-CG 3.83Å; I91-F96 HydrophobicContact CD1-CZ 4.1Å; I91-F96 HydrophobicContact CG2-CB 4.41Å; I91-F96 HydrophobicContact CG2-CD1 4.19Å; I91-V302 HydrophobicContact CD1-CG2 4.13Å
92	A	63.5	Low	71.8	Confident	97 Å²	97	59.8 Å²	59.8	80%	0.802	33%	0.331	S	S	*	.			trans	-98.4	0.2	172	0	0	0	0	0	113.8	A90	A90-A92 PolarHBondContact O-N 3.28Å
93	T	65.8	Low	72.5	Confident	40 Å²	40	58.3 Å²	58.3	25%	0.245	32%	0.324	C	S	.	.	S	Bend	trans	-101.8	155.6	-179.7	55.4	0	0	0	0	112.2	D38 K81 I91 G95 R262	D38-T93 WeakPolarHBondContact OD1-CA 3.16Å; D38-T93 WeakPolarHBondContact OD1-CB 3.47Å; K81-T93 HydrophobicContact CB-CG2 4.34Å; K81-T93 HydrophobicContact CD-CG2 4.46Å; K81-T93 HydrophobicContact CG-CG2 4.48Å; I91-T93 WeakPolarHBondContact CG2-O 3.31Å; T93-G95 WeakPolarHBondContact CB-O 3.32Å; T93-G95 PolarHBondContact OG1-O 2.71Å; T93-R262 PolarHBondContact O-NH2 3.18Å
94	Y	67.8	Low	73.4	Confident	24 Å²	24	49.4 Å²	49.4	9%	0.094	28%	0.282	C	S	.	.	S	Bend	trans	-75	-41.8	179.1	-66.3	-112.4	0	0	0	111.4	E34 L37 D38 Y180 H261 R262	E34-Y94 HydrophobicContact CB-CD1 4.39Å; E34-Y94 HydrophobicContact CB-CG 4.33Å; E34-Y94 HydrophobicContact CG-CD1 3.82Å; E34-Y94 HydrophobicContact CG-CG 4.22Å; L37-Y94 HydrophobicContact CB-CD2 4.29Å; L37-Y94 HydrophobicContact CB-CE2 3.99Å; L37-Y94 HydrophobicContact CD1-CE1 3.89Å; D38-Y94 WeakPolarHBondContact OD1-CD2 3.35Å; D38-Y94 PolarHBondContact OD1-N 2.99Å; D38-Y94 PolarHBondContact OD2-N 2.92Å; Y94-Y180 HydrophobicContact CD1-CE1 4.25Å; Y94-Y180 HydrophobicContact CE1-CE1 4.03Å; Y94-H261 HydrophobicContact CE1-CB 4.05Å; Y94-H261 WeakPolarHBondContact CE1-O 3.49Å; Y94-H261 HydrophobicContact CE2-CB 4.35Å; Y94-R262 PolarHBondContact O-NH1 3.08Å; Y94-R262 PolarHBondContact O-NH2 3.48Å
95	G	67.6	Low	74.4	Confident	6 Å²	6	46 Å²	46	6%	0.062	26%	0.262	C	S	.	.			trans	-99.9	150.7	169	0	0	0	0	0	112.9	D38 K81 T93	D38-G95 PolarHBondContact OD2-N 2.75Å; K81-G95 WeakPolarHBondContact CD-O 3.37Å; T93-G95 WeakPolarHBondContact CB-O 3.32Å; T93-G95 PolarHBondContact OG1-O 2.71Å
96	F	68.4	Low	75.5	Confident	10 Å²	10	38.3 Å²	38.3	4%	0.044	23%	0.228	C	C	.	.			trans	-143.6	-45.9	171.9	63.7	-89	0	0	0	114.7	T79 L82 I91 G98 V302	T79-F96 WeakPolarHBondContact CB-O 3.28Å; T79-F96 PolarHBondContact OG1-O 3.31Å; L82-F96 HydrophobicContact CD1-CB 3.85Å; L82-F96 HydrophobicContact CD1-CD2 4Å; L82-F96 HydrophobicContact CD1-CG 4.4Å; L82-F96 HydrophobicContact CD2-CB 4.48Å; L82-F96 HydrophobicContact CG-CB 4.06Å; I91-F96 HydrophobicContact CD1-CB 4.38Å; I91-F96 HydrophobicContact CD1-CD1 3.88Å; I91-F96 HydrophobicContact CD1-CD2 3.92Å; I91-F96 HydrophobicContact CD1-CE1 4.02Å; I91-F96 HydrophobicContact CD1-CE2 4.05Å; I91-F96 HydrophobicContact CD1-CG 3.83Å; I91-F96 HydrophobicContact CD1-CZ 4.1Å; I91-F96 HydrophobicContact CG2-CB 4.41Å; I91-F96 HydrophobicContact CG2-CD1 4.19Å; F96-G98 VanDerWaalsContact C-N 3.29Å; F96-G98 PolarHBondContact O-N 2.78Å; F96-G98 VanDerWaalsContact O-N 3.08Å; F96-V302 HydrophobicContact CE1-CG2 3.96Å; F96-V302 HydrophobicContact CZ-CG2 4.19Å
97	R	69.1	Low	76.5	Confident	82 Å²	82	30.8 Å²	30.8	31%	0.309	19%	0.192	S	C	.	.	S	Bend	trans	-61.2	-16.1	-171.8	-59.9	-171.9	-177.4	168.9	1.2	118	E99 N303	R97-E99 HydrophobicContact CB-CG 4.01Å; R97-E99 VanDerWaalsContact CD-OE2 3.3Å; R97-E99 WeakPolarHBondContact CD-OE2 3.43Å; R97-E99 PolarHBondContact O-N 3.13Å; R97-N303 PolarHBondContact NE-OD1 3.1Å; R97-N303 PolarHBondContact NH2-O 3.23Å; R97-N303 PolarHBondContact NH2-OD1 2.88Å
98	G	75.1	Confident	77.6	Confident	19 Å²	19	28.1 Å²	28.1	20%	0.196	18%	0.178	C	C	.	.	S	Bend	trans	68.7	27.9	-176.2	0	0	0	0	0	115.1	F77 T78 F96	F77-G98 PolarHBondContact N-O 3.12Å; T78-G98 WeakPolarHBondContact O-CA 3.38Å; F96-G98 VanDerWaalsContact C-N 3.29Å; F96-G98 PolarHBondContact O-N 2.78Å; F96-G98 VanDerWaalsContact O-N 3.08Å
99	E	82.8	Confident	78.9	Confident	27 Å²	27	27.5 Å²	27.5	13%	0.126	17%	0.174	C	C	.	.			trans	-111.6	-17.2	-173.7	-63	-169.3	101.4	0	0	114.9	R76 F77 R97 S103	R76-E99 IonicContact CZ-OE1 2.82Å; R76-E99 IonicContact NE-OE1 3.93Å; R76-E99 IonicContact NH2-OE1 2.66Å; R76-E99 PolarHBondContact NH2-OE1 3.33Å; F77-E99 HydrophobicContact CD1-CG 4.29Å; F77-E99 HydrophobicContact CE1-CG 4.21Å; R97-E99 HydrophobicContact CB-CG 4.01Å; R97-E99 VanDerWaalsContact CD-OE2 3.3Å; R97-E99 WeakPolarHBondContact CD-OE2 3.43Å; R97-E99 PolarHBondContact O-N 3.13Å; E99-S103 VanDerWaalsContact O-CB 3.23Å; E99-S103 WeakPolarHBondContact O-CB 3.46Å; E99-S103 PolarHBondContact O-N 3.09Å; E99-S103 PolarHBondContact O-OG 3.44Å
100	A	85.5	Confident	80.6	Confident	12 Å²	12	23.7 Å²	23.7	10%	0.099	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-55.7	-166.4	0	0	0	0	0	113.5	E31 A102 S103 I104	E31-A100 HydrophobicContact CB-CB 4.05Å; E31-A100 HydrophobicContact CG-CB 4.16Å; E31-A100 WeakPolarHBondContact OE2-CB 3.45Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A100-A102 PolarHBondContact O-N 2.8Å; A100-S103 PolarHBondContact O-N 2.89Å; A100-I104 WeakPolarHBondContact O-CG1 3.27Å; A100-I104 PolarHBondContact O-N 2.83Å
101	L	90	Very high	82.2	Confident	23 Å²	23	21.6 Å²	21.6	12%	0.12	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-38	179.9	-62.2	179.5	0	0	0	111.8	V73 S103 I104 S105 I112 I147	V73-L101 HydrophobicContact CG2-CD1 3.91Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.92Å; L101-I104 PolarHBondContact O-N 3.41Å; L101-S105 WeakPolarHBondContact O-CB 3.39Å; L101-S105 PolarHBondContact O-N 3.45Å; L101-I112 HydrophobicContact CD1-CD1 4.42Å; L101-I147 HydrophobicContact CD2-CD1 4Å
102	A	89.8	Confident	83.6	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-44.6	172.7	0	0	0	0	0	112.1	C74 R76 A100 S105 H106	C74-A102 WeakPolarHBondContact O-CA 3.34Å; C74-A102 WeakPolarHBondContact O-CB 3.42Å; R76-A102 HydrophobicContact CG-CB 3.78Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A100-A102 PolarHBondContact O-N 2.8Å; A102-S105 PolarHBondContact O-N 3.04Å; A102-H106 PolarHBondContact O-N 3.35Å; A102-H106 PolarHBondContact O-ND1 2.99Å
103	S	89.8	Confident	85.2	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-62.7	-49.8	177.1	-61.2	0	0	0	0	111.2	A18 E99 A100 L101 S105 H106	A18-S103 WeakPolarHBondContact CB-O 3.44Å; E99-S103 VanDerWaalsContact O-CB 3.23Å; E99-S103 WeakPolarHBondContact O-CB 3.46Å; E99-S103 PolarHBondContact O-N 3.09Å; E99-S103 PolarHBondContact O-OG 3.44Å; A100-S103 PolarHBondContact O-N 2.89Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.92Å; S103-S105 VanDerWaalsContact C-N 3.28Å; S103-S105 PolarHBondContact O-N 3.32Å; S103-H106 PolarHBondContact O-N 3.07Å; S103-H106 VanDerWaalsContact O-N 3.09Å
104	I	91.8	Very high	86.6	Confident	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-58.3	-42.5	177	-62.2	166.5	0	0	0	110.3	I22 A28 M32 A100 L101 H106 V107 A108 V110 V149	I22-I104 HydrophobicContact CD1-CD1 4.29Å; I22-I104 HydrophobicContact CD1-CG1 3.76Å; I22-I104 HydrophobicContact CG1-CG1 3.81Å; A28-I104 HydrophobicContact CB-CD1 4.02Å; A28-I104 HydrophobicContact CB-CG1 4.28Å; M32-I104 HydrophobicContact CG-CD1 4.24Å; A100-I104 WeakPolarHBondContact O-CG1 3.27Å; A100-I104 PolarHBondContact O-N 2.83Å; L101-I104 PolarHBondContact O-N 3.41Å; I104-H106 PolarHBondContact O-N 3.27Å; I104-V107 PolarHBondContact O-N 3.36Å; I104-V107 VanDerWaalsContact O-N 3.09Å; I104-A108 HydrophobicContact CG2-CB 4.38Å; I104-A108 PolarHBondContact O-N 3.17Å; I104-V110 HydrophobicContact CB-CG2 4.44Å; I104-V110 HydrophobicContact CG2-CG2 3.72Å; I104-V149 HydrophobicContact CG2-CB 4.49Å; I104-V149 HydrophobicContact CG2-CG1 3.68Å; I104-V149 HydrophobicContact CG2-CG2 3.91Å
105	S	92.9	Very high	87.9	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.8	-18	178.8	-174.2	0	0	0	0	114.8	L101 A102 S103 Y127 S128 D129 G130	L101-S105 WeakPolarHBondContact O-CB 3.39Å; L101-S105 PolarHBondContact O-N 3.45Å; A102-S105 PolarHBondContact O-N 3.04Å; S103-S105 VanDerWaalsContact C-N 3.28Å; S103-S105 PolarHBondContact O-N 3.32Å; S105-Y127 WeakPolarHBondContact OG-CB 3.4Å; S105-S128 PolarHBondContact OG-N 3.3Å; S105-D129 PolarHBondContact O-N 3.09Å; S105-G130 PolarHBondContact OG-N 2.66Å
106	H	90.6	Very high	89.2	Confident	12 Å²	12	17 Å²	17	6%	0.056	9%	0.087	C	C	.	.	H	α-helix	trans	-86	-12.9	173	-79.3	83.6	0	0	0	113.5	N14 R15 A18 A102 S103 I104 D129 N155	N14-H106 WeakPolarHBondContact CB-NE2 3.2Å; N14-H106 PolarHBondContact ND2-NE2 3.15Å; R15-H106 HydrophobicContact CG-CB 4.27Å; A18-H106 HydrophobicContact CB-CB 3.93Å; A102-H106 PolarHBondContact O-N 3.35Å; A102-H106 PolarHBondContact O-ND1 2.99Å; S103-H106 PolarHBondContact O-N 3.07Å; S103-H106 VanDerWaalsContact O-N 3.09Å; I104-H106 PolarHBondContact O-N 3.27Å; H106-D129 IonicContact CD2-OD1 3.15Å; H106-D129 PolarHBondContact CE1-O 3.07Å; H106-D129 PolarHBondContact NE2-O 3.49Å; H106-N155 PolarHBondContact O-ND2 3.22Å
107	V	90.5	Very high	90.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-122.5	-3.8	-179.4	-62.1	0	0	0	0	114.3	A18 I22 I104 L152 F153	A18-V107 HydrophobicContact CB-CG1 4.05Å; I22-V107 HydrophobicContact CG2-CG2 4.44Å; I104-V107 PolarHBondContact O-N 3.36Å; I104-V107 VanDerWaalsContact O-N 3.09Å; V107-L152 HydrophobicContact CG2-CD1 3.87Å; V107-F153 HydrophobicContact CB-CD1 3.91Å; V107-F153 HydrophobicContact CB-CE1 4.18Å; V107-F153 HydrophobicContact CG1-CD1 4.3Å; V107-F153 HydrophobicContact CG1-CE1 4.47Å; V107-F153 HydrophobicContact CG2-CD1 4.24Å; V107-F153 HydrophobicContact CG2-CE1 4.06Å; V107-F153 WeakPolarHBondContact O-CA 3.18Å; V107-F153 PolarHBondContact O-N 2.8Å
108	A	92.8	Very high	91.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-149.2	164.2	179.7	0	0	0	0	0	111.6	I104 V149 L152	I104-A108 HydrophobicContact CG2-CB 4.38Å; I104-A108 PolarHBondContact O-N 3.17Å; A108-V149 HydrophobicContact CB-CG1 3.42Å; A108-V149 VanDerWaalsContact CB-CG1 3.42Å; A108-L152 HydrophobicContact CB-CD1 3.89Å
109	H	94.2	Very high	91.9	Very high	51 Å²	51	24.1 Å²	24.1	24%	0.236	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.5	166.4	-59.5	116.6	0	0	0	109.2	V149 E150 Y154	H109-V149 WeakPolarHBondContact O-CA 3.39Å; H109-E150 HydrophobicContact CB-CB 4.12Å; H109-E150 PolarHBondContact N-O 3.45Å; H109-E150 PolarHBondContact O-N 3.21Å; H109-Y154 AromaticContact NE2-CE2 3.9Å; H109-Y154 AromaticContact NE2-CZ 3.76Å
110	V	95.6	Very high	92.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.4	-177.5	178.1	0	0	0	0	109.9	I104 I112 S126 Y127 I147 L148	I104-V110 HydrophobicContact CB-CG2 4.44Å; I104-V110 HydrophobicContact CG2-CG2 3.72Å; V110-I112 HydrophobicContact CG1-CG1 4.09Å; V110-S126 CarbonylContact O-C 3.52Å; V110-S126 VanDerWaalsContact O-CA 3.31Å; V110-S126 WeakPolarHBondContact O-CA 3.39Å; V110-Y127 HydrophobicContact CB-CD2 4.5Å; V110-Y127 HydrophobicContact CG1-CD2 4.24Å; V110-Y127 PolarHBondContact O-N 3.11Å; V110-I147 HydrophobicContact CG1-CG2 4.32Å; V110-L148 CarbonylContact C-O 3.58Å; V110-L148 WeakPolarHBondContact CA-O 3.46Å
111	T	96	Very high	92.6	Very high	21 Å²	21	34.5 Å²	34.5	13%	0.129	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.8	170.3	-67.7	0	0	0	0	109.6	R124 A125 S126 L148	T111-R124 HydrophobicContact CG2-CG 3.7Å; T111-A125 CarbonylContact C-O 3.59Å; T111-A125 VanDerWaalsContact CA-O 3.3Å; T111-A125 WeakPolarHBondContact CA-O 3.24Å; T111-S126 WeakPolarHBondContact OG1-CB 3.21Å; T111-S126 PolarHBondContact OG1-OG 3.38Å; T111-L148 PolarHBondContact N-O 3.16Å; T111-L148 WeakPolarHBondContact O-CB 3.34Å; T111-L148 PolarHBondContact O-N 3.42Å
112	I	96.3	Very high	92.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.3	177.4	-56.9	177	0	0	0	108.2	I65 V73 L101 V110 T114 R124 A125 Y127 T145 I147	I65-I112 HydrophobicContact CD1-CG2 4.17Å; V73-I112 HydrophobicContact CG1-CD1 4.08Å; L101-I112 HydrophobicContact CD1-CD1 4.42Å; V110-I112 HydrophobicContact CG1-CG1 4.09Å; I112-T114 HydrophobicContact CG2-CG2 4.48Å; I112-R124 VanDerWaalsContact O-CA 3.32Å; I112-R124 WeakPolarHBondContact O-CA 3.2Å; I112-A125 PolarHBondContact N-O 3.14Å; I112-A125 PolarHBondContact O-N 3.08Å; I112-Y127 HydrophobicContact CB-CE2 4.01Å; I112-Y127 HydrophobicContact CD1-CD2 4.44Å; I112-Y127 HydrophobicContact CD1-CE2 3.71Å; I112-Y127 HydrophobicContact CG1-CD2 4.38Å; I112-Y127 HydrophobicContact CG1-CE2 3.74Å; I112-T145 HydrophobicContact CG2-CG2 3.79Å; I112-I147 HydrophobicContact CG1-CG2 4.5Å
113	T	96.3	Very high	93.1	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.5	165.9	-57	0	0	0	0	108.2	A122 Y123 R124 C139 T145 Q146	T113-A122 HydrophobicContact CG2-CB 4.45Å; T113-Y123 CarbonylContact C-O 3.59Å; T113-Y123 VanDerWaalsContact CA-O 3.31Å; T113-Y123 WeakPolarHBondContact CA-O 3.24Å; T113-R124 PolarHBondContact OG1-NE 3.05Å; T113-C139 VanDerWaalsContact CG2-SG 3.6Å; T113-T145 CarbonylContact O-C 3.08Å; T113-Q146 PolarHBondContact N-O 2.99Å; T113-Q146 PolarHBondContact O-N 3.2Å
114	T	96.3	Very high	93.4	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.2	-172.6	-167.1	0	0	0	0	112.6	G64 I65 M70 I112 A122 Y123 G144 T145	G64-T114 WeakPolarHBondContact CA-OG1 3.13Å; I65-T114 HydrophobicContact CB-CG2 3.96Å; I65-T114 PolarHBondContact N-OG1 3.24Å; I65-T114 WeakPolarHBondContact O-CG2 3.22Å; M70-T114 HydrophobicContact CE-CG2 3.82Å; M70-T114 HydrophobicContact SD-CG2 4.17Å; I112-T114 HydrophobicContact CG2-CG2 4.48Å; T114-A122 CarbonylContact O-C 3.51Å; T114-A122 VanDerWaalsContact O-CA 3.28Å; T114-A122 WeakPolarHBondContact O-CA 3.41Å; T114-A122 WeakPolarHBondContact O-CB 3.39Å; T114-Y123 PolarHBondContact N-O 3.4Å; T114-Y123 PolarHBondContact O-N 3.35Å; T114-G144 WeakPolarHBondContact CA-O 3.27Å; T114-G144 PolarHBondContact OG1-O 2.59Å; T114-T145 PolarHBondContact OG1-OG1 2.65Å
115	K	95.1	Very high	93.5	Very high	52 Å²	52	41.2 Å²	41.2	23%	0.226	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	130.1	176.4	-172.4	-175.6	176.8	-171.2	0	110.7	A119 A122 G141 N142 Q143 G144	K115-A119 WeakPolarHBondContact CE-O 3.41Å; K115-A119 HydrophobicContact CG-CB 4.3Å; K115-A122 HydrophobicContact CB-CB 3.98Å; K115-G141 WeakPolarHBondContact CD-O 3.25Å; K115-N142 WeakPolarHBondContact CB-O 3.42Å; K115-Q143 PolarHBondContact O-NE2 3.24Å; K115-Q143 VanDerWaalsContact O-NE2 3.09Å; K115-Q143 PolarHBondContact O-OE1 3.24Å; K115-G144 PolarHBondContact N-O 3.33Å; K115-G144 PolarHBondContact O-N 2.99Å
116	T	94.3	Very high	93.6	Very high	24 Å²	24	43.4 Å²	43.4	15%	0.147	23%	0.23	C	C	.	.			trans	-91.7	160.3	167	59.5	0	0	0	0	111.4	T63 I65 R66 D118 A119 Q143	T63-T116 WeakPolarHBondContact O-CA 3.15Å; I65-T116 WeakPolarHBondContact O-CG2 3.32Å; R66-T116 HydrophobicContact CG-CG2 4.21Å; T116-D118 PolarHBondContact O-N 3.4Å; T116-A119 WeakPolarHBondContact O-CB 3.21Å; T116-A119 PolarHBondContact O-N 2.81Å; T116-A119 WeakPolarHBondContact OG1-CB 3.3Å; T116-Q143 PolarHBondContact O-OE1 3.38Å
117	A	91.1	Very high	93.8	Very high	84 Å²	84	42.9 Å²	42.9	69%	0.694	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.3	-174.7	0	0	0	0	0	112.6	A119 Q143	A117-A119 VanDerWaalsContact C-N 3.31Å; A117-A119 PolarHBondContact O-N 2.76Å; A117-Q143 VanDerWaalsContact CA-OE1 3.27Å
118	D	89.9	Confident	93.7	Very high	153 Å²	153	44.3 Å²	44.3	82%	0.818	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-14	179.9	-40.5	-77.5	0	0	0	113.2	T116	T116-D118 PolarHBondContact O-N 3.4Å
119	A	89.3	Confident	93.5	Very high	24 Å²	24	46.3 Å²	46.3	20%	0.198	25%	0.248	C	C	.	.			trans	-83.3	127.8	-175.6	0	0	0	0	0	112.4	K115 T116 A117 C121	K115-A119 WeakPolarHBondContact CE-O 3.41Å; K115-A119 HydrophobicContact CG-CB 4.3Å; T116-A119 WeakPolarHBondContact O-CB 3.21Å; T116-A119 PolarHBondContact O-N 2.81Å; T116-A119 WeakPolarHBondContact OG1-CB 3.3Å; A117-A119 VanDerWaalsContact C-N 3.31Å; A117-A119 PolarHBondContact O-N 2.76Å; A119-C121 VanDerWaalsContact C-N 3.26Å; A119-C121 PolarHBondContact O-N 3.01Å
120	K	89.4	Confident	93	Very high	212 Å²	212	44.1 Å²	44.1	92%	0.922	24%	0.239	S	C	*	.	S	Bend	trans	-61.7	-30	178.9	-65	-178	178.9	179.4	0	113.7
121	C	92.3	Very high	92.7	Very high	45 Å²	45	51 Å²	51	30%	0.304	27%	0.269	S	S	.	.	S	Bend	trans	-145.1	165.5	-179.9	56.3	0	0	0	0	110.9	A119	A119-C121 VanDerWaalsContact C-N 3.26Å; A119-C121 PolarHBondContact O-N 3.01Å
122	A	94.9	Very high	92.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	154.3	171.9	0	0	0	0	0	110.7	T113 T114 K115 P138 C139	T113-A122 HydrophobicContact CG2-CB 4.45Å; T114-A122 CarbonylContact O-C 3.51Å; T114-A122 VanDerWaalsContact O-CA 3.28Å; T114-A122 WeakPolarHBondContact O-CA 3.41Å; T114-A122 WeakPolarHBondContact O-CB 3.39Å; K115-A122 HydrophobicContact CB-CB 3.98Å; A122-P138 CarbonylContact O-C 3.59Å; A122-P138 WeakPolarHBondContact O-CA 3.39Å; A122-C139 PolarHBondContact N-O 2.94Å; A122-C139 PolarHBondContact O-N 3.03Å
123	Y	95.2	Very high	92.1	Very high	51 Å²	51	58.3 Å²	58.3	20%	0.2	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.6	173.8	-73	-87.9	0	0	0	111	K67 T113 T114 P136 K137 P138	K67-Y123 HydrophobicContact CB-CD2 4.25Å; K67-Y123 HydrophobicContact CB-CE2 4.32Å; K67-Y123 HydrophobicContact CD-CD1 4.29Å; K67-Y123 HydrophobicContact CD-CD2 4.34Å; K67-Y123 HydrophobicContact CD-CE1 3.8Å; K67-Y123 HydrophobicContact CD-CE2 3.86Å; K67-Y123 VanDerWaalsContact CE-CE1 3.43Å; K67-Y123 HydrophobicContact CG-CD1 4.2Å; K67-Y123 HydrophobicContact CG-CD2 4.05Å; K67-Y123 HydrophobicContact CG-CE1 4.22Å; K67-Y123 HydrophobicContact CG-CE2 4.07Å; K67-Y123 HydrophobicContact CG-CG 4.11Å; K67-Y123 PolarHBondContact NZ-OH 3.24Å; T113-Y123 CarbonylContact C-O 3.59Å; T113-Y123 VanDerWaalsContact CA-O 3.31Å; T113-Y123 WeakPolarHBondContact CA-O 3.24Å; T114-Y123 PolarHBondContact N-O 3.4Å; T114-Y123 PolarHBondContact O-N 3.35Å; Y123-P136 HydrophobicContact CD1-CB 4.18Å; Y123-K137 CarbonylContact C-O 3.59Å; Y123-K137 WeakPolarHBondContact CA-O 3.37Å; Y123-P138 HydrophobicContact CE1-CB 4.26Å
124	R	96.1	Very high	91.7	Very high	115 Å²	115	59.3 Å²	59.3	43%	0.434	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.4	176	-177.3	174.7	-63.7	161.7	5	111.2	T111 I112 T113 P136 K137	T111-R124 HydrophobicContact CG2-CG 3.7Å; I112-R124 VanDerWaalsContact O-CA 3.32Å; I112-R124 WeakPolarHBondContact O-CA 3.2Å; T113-R124 PolarHBondContact OG1-NE 3.05Å; R124-P136 WeakPolarHBondContact O-CA 3.4Å; R124-K137 PolarHBondContact N-O 2.84Å; R124-K137 PolarHBondContact O-N 3.38Å
125	A	95.3	Very high	91.4	Very high	3 Å²	3	64.1 Å²	64.1	3%	0.025	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150	177.3	0	0	0	0	0	110.1	M70 T111 I112 Y127 L132	M70-A125 HydrophobicContact CE-CB 3.53Å; T111-A125 CarbonylContact C-O 3.59Å; T111-A125 VanDerWaalsContact CA-O 3.3Å; T111-A125 WeakPolarHBondContact CA-O 3.24Å; I112-A125 PolarHBondContact N-O 3.14Å; I112-A125 PolarHBondContact O-N 3.08Å; A125-Y127 HydrophobicContact CB-CE1 4.47Å; A125-Y127 HydrophobicContact CB-CE2 3.76Å; A125-Y127 VanDerWaalsContact CB-OH 3.31Å; A125-Y127 WeakPolarHBondContact CB-OH 3.47Å; A125-L132 HydrophobicContact CB-CD1 3.62Å
126	S	95.1	Very high	91.3	Very high	45 Å²	45	62.5 Å²	62.5	32%	0.315	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.1	178.4	-59.6	0	0	0	0	110.4	V110 T111 K133	V110-S126 CarbonylContact O-C 3.52Å; V110-S126 VanDerWaalsContact O-CA 3.31Å; V110-S126 WeakPolarHBondContact O-CA 3.39Å; T111-S126 WeakPolarHBondContact OG1-CB 3.21Å; T111-S126 PolarHBondContact OG1-OG 3.38Å; S126-K133 WeakPolarHBondContact O-CB 3.31Å; S126-K133 PolarHBondContact O-N 2.86Å
127	Y	93.9	Very high	91.3	Very high	2 Å²	2	68.7 Å²	68.7	1%	0.008	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157	-166.2	-49.7	-96.8	0	0	0	112.2	M70 V73 C74 S105 V110 I112 A125 K131 L132	M70-Y127 WeakPolarHBondContact O-CE1 3.43Å; M70-Y127 PolarHBondContact O-OH 3.03Å; M70-Y127 VanDerWaalsContact O-OH 3.04Å; V73-Y127 HydrophobicContact CG1-CE1 4.05Å; V73-Y127 VanDerWaalsContact CG1-OH 3.25Å; V73-Y127 WeakPolarHBondContact CG1-OH 3.08Å; C74-Y127 HydrophobicContact CB-CD1 3.63Å; C74-Y127 HydrophobicContact CB-CE1 4.07Å; C74-Y127 HydrophobicContact CB-CG 3.99Å; C74-Y127 VanDerWaalsContact SG-CG 3.55Å; S105-Y127 WeakPolarHBondContact OG-CB 3.4Å; V110-Y127 HydrophobicContact CB-CD2 4.5Å; V110-Y127 HydrophobicContact CG1-CD2 4.24Å; V110-Y127 PolarHBondContact O-N 3.11Å; I112-Y127 HydrophobicContact CB-CE2 4.01Å; I112-Y127 HydrophobicContact CD1-CD2 4.44Å; I112-Y127 HydrophobicContact CD1-CE2 3.71Å; I112-Y127 HydrophobicContact CG1-CD2 4.38Å; I112-Y127 HydrophobicContact CG1-CE2 3.74Å; A125-Y127 HydrophobicContact CB-CE1 4.47Å; A125-Y127 HydrophobicContact CB-CE2 3.76Å; A125-Y127 VanDerWaalsContact CB-OH 3.31Å; A125-Y127 WeakPolarHBondContact CB-OH 3.47Å; Y127-K131 CarbonylContact C-O 3.6Å; Y127-K131 VanDerWaalsContact CA-O 3.24Å; Y127-K131 WeakPolarHBondContact CA-O 3.5Å; Y127-L132 HydrophobicContact CD1-CB 4.25Å; Y127-L132 HydrophobicContact CD1-CD1 4.17Å; Y127-L132 HydrophobicContact CE1-CB 4.29Å; Y127-L132 HydrophobicContact CE1-CD1 3.81Å
128	S	89.3	Confident	91.4	Very high	29 Å²	29	69.1 Å²	69.1	20%	0.203	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	137.6	169.5	49.9	0	0	0	0	110.5	S105 G130 K131 K133	S105-S128 PolarHBondContact OG-N 3.3Å; S128-G130 PolarHBondContact O-N 3.18Å; S128-K131 PolarHBondContact N-O 3.26Å; S128-K131 PolarHBondContact O-N 2.93Å; S128-K133 WeakPolarHBondContact OG-CE 3.45Å
129	D	87.1	Confident	91.6	Very high	43 Å²	43	63.3 Å²	63.3	23%	0.23	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	43.7	-174.6	-62.2	-68.9	0	0	0	111.3	R15 S105 H106 K131	R15-D129 IonicContact CZ-OD1 2.69Å; R15-D129 VanDerWaalsContact CZ-OD1 3.27Å; R15-D129 IonicContact CZ-OD2 2.72Å; R15-D129 IonicContact NE-OD1 3.64Å; R15-D129 PolarHBondContact NE-OD1 2.84Å; R15-D129 IonicContact NH2-OD1 2.69Å; R15-D129 PolarHBondContact NH2-OD1 3.08Å; R15-D129 IonicContact NH2-OD2 2.77Å; R15-D129 PolarHBondContact NH2-OD2 2.93Å; S105-D129 PolarHBondContact O-N 3.09Å; H106-D129 IonicContact CD2-OD1 3.15Å; H106-D129 PolarHBondContact CE1-O 3.07Å; H106-D129 PolarHBondContact NE2-O 3.49Å; D129-K131 PolarHBondContact O-N 2.93Å; D129-K131 VanDerWaalsContact O-N 3.13Å
130	G	84.2	Confident	91.7	Very high	4 Å²	4	66.7 Å²	66.7	4%	0.041	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-21.2	-177.1	0	0	0	0	0	115.9	C74 S105 S128	C74-G130 CarbonylContact C-O 3.59Å; C74-G130 WeakPolarHBondContact CB-O 3.2Å; C74-G130 WeakPolarHBondContact O-CA 3.48Å; S105-G130 PolarHBondContact OG-N 2.66Å; S128-G130 PolarHBondContact O-N 3.18Å
131	K	88.6	Confident	91.7	Very high	147 Å²	147	58.1 Å²	58.1	64%	0.639	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	145.5	-170.2	-64.6	-176.6	-179.7	-178.6	0	113.5	Y127 S128 D129	Y127-K131 CarbonylContact C-O 3.6Å; Y127-K131 VanDerWaalsContact CA-O 3.24Å; Y127-K131 WeakPolarHBondContact CA-O 3.5Å; S128-K131 PolarHBondContact N-O 3.26Å; S128-K131 PolarHBondContact O-N 2.93Å; D129-K131 PolarHBondContact O-N 2.93Å; D129-K131 VanDerWaalsContact O-N 3.13Å
132	L	92.1	Very high	91.6	Very high	47 Å²	47	62.7 Å²	62.7	25%	0.246	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.3	177	-179.1	64.6	0	0	0	111.6	E71 A125 Y127 G134 P136	E71-L132 HydrophobicContact CG-CD2 4.2Å; A125-L132 HydrophobicContact CB-CD1 3.62Å; Y127-L132 HydrophobicContact CD1-CB 4.25Å; Y127-L132 HydrophobicContact CD1-CD1 4.17Å; Y127-L132 HydrophobicContact CE1-CB 4.29Å; Y127-L132 HydrophobicContact CE1-CD1 3.81Å; L132-G134 VanDerWaalsContact C-N 3.28Å; L132-G134 VanDerWaalsContact CD1-O 3.31Å; L132-G134 WeakPolarHBondContact CD1-O 3.32Å; L132-G134 VanDerWaalsContact CG-O 3.24Å; L132-G134 WeakPolarHBondContact CG-O 3.41Å; L132-G134 PolarHBondContact O-N 3.43Å; L132-P136 HydrophobicContact CD2-CG 4.45Å
133	K	89.3	Confident	91.6	Very high	127 Å²	127	65.8 Å²	65.8	55%	0.552	37%	0.367	S	S	*	.	S	Bend	trans	-76.8	-5.4	-179.7	-72.1	-169.2	177.5	-179.4	0	115	S126 S128	S126-K133 WeakPolarHBondContact O-CB 3.31Å; S126-K133 PolarHBondContact O-N 2.86Å; S128-K133 WeakPolarHBondContact OG-CE 3.45Å
134	G	87.9	Confident	91.6	Very high	32 Å²	32	63.5 Å²	63.5	33%	0.33	36%	0.359	S	S	.	.	S	Bend	trans	162.3	165.1	-179.5	0	0	0	0	0	112.4	L132	L132-G134 VanDerWaalsContact C-N 3.28Å; L132-G134 VanDerWaalsContact CD1-O 3.31Å; L132-G134 WeakPolarHBondContact CD1-O 3.32Å; L132-G134 VanDerWaalsContact CG-O 3.24Å; L132-G134 WeakPolarHBondContact CG-O 3.41Å; L132-G134 PolarHBondContact O-N 3.43Å
135	P	89.4	Confident	91.6	Very high	107 Å²	107	58.5 Å²	58.5	70%	0.695	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-59.9	143.2	-169.3	23.6	-34.7	0	0	0	112.9	K137	P135-K137 PolarHBondContact O-N 3.41Å
136	P	92.9	Very high	91.7	Very high	18 Å²	18	60.5 Å²	60.5	12%	0.117	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-60.1	122.4	-176.9	-24.1	34.7	0	0	0	112.3	M70 Y123 R124 L132	M70-P136 HydrophobicContact CB-CG 4.05Å; M70-P136 HydrophobicContact SD-CB 3.85Å; M70-P136 HydrophobicContact SD-CG 4.15Å; Y123-P136 HydrophobicContact CD1-CB 4.18Å; R124-P136 WeakPolarHBondContact O-CA 3.4Å; L132-P136 HydrophobicContact CD2-CG 4.45Å
137	K	93.9	Very high	91.7	Very high	154 Å²	154	58.9 Å²	58.9	67%	0.67	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	134	-175.5	-63.9	-179	-178.6	176.8	0	110.5	Y123 R124 P135	Y123-K137 CarbonylContact C-O 3.59Å; Y123-K137 WeakPolarHBondContact CA-O 3.37Å; R124-K137 PolarHBondContact N-O 2.84Å; R124-K137 PolarHBondContact O-N 3.38Å; P135-K137 PolarHBondContact O-N 3.41Å
138	P	94.1	Very high	91.8	Very high	92 Å²	92	60.1 Å²	60.1	60%	0.597	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.5	174.4	29.6	-34.8	0	0	0	110.4	A122 Y123	A122-P138 CarbonylContact O-C 3.59Å; A122-P138 WeakPolarHBondContact O-CA 3.39Å; Y123-P138 HydrophobicContact CE1-CB 4.26Å
139	C	93.8	Very high	92.2	Very high	31 Å²	31	58.9 Å²	58.9	21%	0.209	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	172	179.8	64.6	0	0	0	0	112	T113 A122	T113-C139 VanDerWaalsContact CG2-SG 3.6Å; A122-C139 PolarHBondContact N-O 2.94Å; A122-C139 PolarHBondContact O-N 3.03Å
140	A	91.7	Very high	92.5	Very high	95 Å²	95	60.4 Å²	60.4	79%	0.785	34%	0.341	S	S	*	.			trans	-72.5	139.4	168.8	0	0	0	0	0	110.5
141	G	87.8	Confident	92.9	Very high	33 Å²	33	63 Å²	63	34%	0.34	35%	0.354	S	S	.	.			trans	-179.8	147.8	177	0	0	0	0	0	111.6	K115	K115-G141 WeakPolarHBondContact CD-O 3.25Å
142	N	91.9	Very high	93	Very high	141 Å²	141	56.2 Å²	56.2	75%	0.754	32%	0.324	S	S	*	.			trans	-84.9	175.6	172.7	-69.2	-18.9	0	0	0	110.5	K115	K115-N142 WeakPolarHBondContact CB-O 3.42Å
143	Q	93.8	Very high	93	Very high	66 Å²	66	54 Å²	54	31%	0.308	31%	0.312	S	S	.	.	S	Bend	trans	-56.5	137	172.9	179.6	53.3	38.2	0	0	111.5	G62 T63 K115 T116 A117	G62-Q143 PolarHBondContact O-NE2 3.13Å; T63-Q143 PolarHBondContact O-NE2 3.26Å; K115-Q143 PolarHBondContact O-NE2 3.24Å; K115-Q143 VanDerWaalsContact O-NE2 3.09Å; K115-Q143 PolarHBondContact O-OE1 3.24Å; T116-Q143 PolarHBondContact O-OE1 3.38Å; A117-Q143 VanDerWaalsContact CA-OE1 3.27Å
144	G	95.1	Very high	93	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114	-164	-179.3	0	0	0	0	0	113.5	D60 G62 T114 K115	D60-G144 WeakPolarHBondContact OD1-CA 3.37Å; G62-G144 WeakPolarHBondContact O-CA 3.5Å; T114-G144 WeakPolarHBondContact CA-O 3.27Å; T114-G144 PolarHBondContact OG1-O 2.59Å; K115-G144 PolarHBondContact N-O 3.33Å; K115-G144 PolarHBondContact O-N 2.99Å
145	T	96.6	Very high	92.9	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.7	-178.5	-54.7	0	0	0	0	111.7	Q59 D60 I65 I112 T113 T114 I147	Q59-T145 CarbonylContact C-O 3.6Å; Q59-T145 WeakPolarHBondContact CA-O 3.27Å; D60-T145 PolarHBondContact N-O 2.56Å; D60-T145 PolarHBondContact OD1-N 2.65Å; I65-T145 HydrophobicContact CD1-CG2 4.01Å; I112-T145 HydrophobicContact CG2-CG2 3.79Å; T113-T145 CarbonylContact O-C 3.08Å; T114-T145 PolarHBondContact OG1-OG1 2.65Å; T145-I147 HydrophobicContact CG2-CG1 3.9Å
146	Q	96.6	Very high	92.7	Very high	46 Å²	46	48.8 Å²	48.8	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.5	164.7	-179.1	-173	-40.6	0	0	108.7	Q57 I58 Q59 T113	Q57-Q146 VanDerWaalsContact CD-NE2 3.33Å; Q57-Q146 HydrophobicContact CG-CG 3.96Å; I58-Q146 CarbonylContact O-C 3.53Å; I58-Q146 VanDerWaalsContact O-CA 3.29Å; I58-Q146 WeakPolarHBondContact O-CA 3.29Å; Q59-Q146 HydrophobicContact CB-CB 4.36Å; Q59-Q146 HydrophobicContact CB-CG 4.26Å; Q59-Q146 HydrophobicContact CG-CB 4.27Å; T113-Q146 PolarHBondContact N-O 2.99Å; T113-Q146 PolarHBondContact O-N 3.2Å
147	I	96.3	Very high	92.3	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.051	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.9	172.8	-51.3	174.6	0	0	0	107.7	M32 Q57 I58 L101 V110 I112 T145 V149	M32-I147 HydrophobicContact CG-CD1 4.09Å; M32-I147 HydrophobicContact SD-CB 3.92Å; M32-I147 HydrophobicContact SD-CD1 4.15Å; M32-I147 HydrophobicContact SD-CG2 3.6Å; Q57-I147 WeakPolarHBondContact CA-O 3.32Å; I58-I147 PolarHBondContact N-O 2.96Å; I58-I147 PolarHBondContact O-N 3.34Å; L101-I147 HydrophobicContact CD2-CD1 4Å; V110-I147 HydrophobicContact CG1-CG2 4.32Å; I112-I147 HydrophobicContact CG1-CG2 4.5Å; T145-I147 HydrophobicContact CG2-CG1 3.9Å; I147-V149 HydrophobicContact CG2-CG2 4.17Å
148	L	96.3	Very high	91.9	Very high	29 Å²	29	49.6 Å²	49.6	15%	0.152	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.4	175.2	-165.3	69.9	0	0	0	108.7	L55 Q57 V110 T111 E150	L55-L148 HydrophobicContact CD1-CD1 3.67Å; L55-L148 HydrophobicContact CD1-CG 4.04Å; L55-L148 HydrophobicContact CD2-CD1 4.43Å; L55-L148 HydrophobicContact CG-CD1 4.16Å; Q57-L148 HydrophobicContact CB-CD1 3.65Å; Q57-L148 HydrophobicContact CG-CD1 3.84Å; V110-L148 CarbonylContact C-O 3.58Å; V110-L148 WeakPolarHBondContact CA-O 3.46Å; T111-L148 PolarHBondContact N-O 3.16Å; T111-L148 WeakPolarHBondContact O-CB 3.34Å; T111-L148 PolarHBondContact O-N 3.42Å; L148-E150 HydrophobicContact CD2-CG 4.38Å; L148-E150 HydrophobicContact CG-CG 4.3Å
149	V	96.2	Very high	91.3	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.7	178.7	-173.1	0	0	0	0	108.1	M32 L55 L56 I104 A108 H109 I147 L152	M32-V149 HydrophobicContact CE-CG2 3.94Å; M32-V149 HydrophobicContact SD-CG2 4.01Å; L55-V149 WeakPolarHBondContact CA-O 3.26Å; L56-V149 HydrophobicContact CB-CB 4.32Å; L56-V149 PolarHBondContact N-O 3.2Å; L56-V149 PolarHBondContact O-N 3.34Å; I104-V149 HydrophobicContact CG2-CB 4.49Å; I104-V149 HydrophobicContact CG2-CG1 3.68Å; I104-V149 HydrophobicContact CG2-CG2 3.91Å; A108-V149 HydrophobicContact CB-CG1 3.42Å; A108-V149 VanDerWaalsContact CB-CG1 3.42Å; H109-V149 WeakPolarHBondContact O-CA 3.39Å; I147-V149 HydrophobicContact CG2-CG2 4.17Å; V149-L152 HydrophobicContact CG1-CD1 4.5Å
150	E	94.8	Very high	90.8	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.35	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.3	-173.7	-74.8	173.6	123.5	0	0	110.9	L55 H109 L148	L55-E150 HydrophobicContact CD1-CG 3.39Å; H109-E150 HydrophobicContact CB-CB 4.12Å; H109-E150 PolarHBondContact N-O 3.45Å; H109-E150 PolarHBondContact O-N 3.21Å; L148-E150 HydrophobicContact CD2-CG 4.38Å; L148-E150 HydrophobicContact CG-CG 4.3Å
151	D	92.1	Very high	90.3	Very high	59 Å²	59	56.4 Å²	56.4	32%	0.316	29%	0.288	S	S	.	.	S	Bend	trans	48.9	64.4	-178.8	-61	-58.3	0	0	0	114.5	L53 K54 F153 Y154	L53-D151 CarbonylContact O-C 3.45Å; L53-D151 WeakPolarHBondContact O-CA 3.48Å; K54-D151 PolarHBondContact O-N 3.42Å; D151-F153 PolarHBondContact O-N 3.39Å; D151-Y154 WeakPolarHBondContact O-CB 3.42Å; D151-Y154 PolarHBondContact O-N 3.17Å; D151-Y154 VanDerWaalsContact O-N 3.13Å
152	L	91.3	Very high	90.2	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	130	178	-170.8	67.6	0	0	0	111.3	I22 P25 L53 V107 A108 V149 Y154	I22-L152 HydrophobicContact CG2-CD1 4.44Å; P25-L152 HydrophobicContact CB-CD2 4.2Å; P25-L152 HydrophobicContact CG-CD2 3.85Å; L53-L152 PolarHBondContact O-N 3.21Å; V107-L152 HydrophobicContact CG2-CD1 3.87Å; A108-L152 HydrophobicContact CB-CD1 3.89Å; V149-L152 HydrophobicContact CG1-CD1 4.5Å; L152-Y154 VanDerWaalsContact C-N 3.32Å; L152-Y154 PolarHBondContact O-N 2.89Å
153	F	90.6	Very high	89.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	27.7	-173.4	-46	-60.3	0	0	0	114.9	I22 V107 D151 N155 V156 R159 R160 L163	I22-F153 HydrophobicContact CG2-CE1 4.41Å; I22-F153 HydrophobicContact CG2-CZ 4.21Å; I22-F153 VanDerWaalsContact O-CE1 3.28Å; I22-F153 WeakPolarHBondContact O-CE1 3.27Å; I22-F153 VanDerWaalsContact O-CZ 3.31Å; I22-F153 WeakPolarHBondContact O-CZ 3.26Å; V107-F153 HydrophobicContact CB-CD1 3.91Å; V107-F153 HydrophobicContact CB-CE1 4.18Å; V107-F153 HydrophobicContact CG1-CD1 4.3Å; V107-F153 HydrophobicContact CG1-CE1 4.47Å; V107-F153 HydrophobicContact CG2-CD1 4.24Å; V107-F153 HydrophobicContact CG2-CE1 4.06Å; V107-F153 WeakPolarHBondContact O-CA 3.18Å; V107-F153 PolarHBondContact O-N 2.8Å; D151-F153 PolarHBondContact O-N 3.39Å; F153-N155 PolarHBondContact O-N 3.06Å; F153-N155 VanDerWaalsContact O-N 3.13Å; F153-V156 HydrophobicContact CB-CB 4.5Å; F153-V156 CarbonylContact O-C 3.55Å; F153-V156 PolarHBondContact O-N 3.37Å; F153-R159 HydrophobicContact CD1-CG 4.2Å; F153-R159 HydrophobicContact CD2-CG 4.18Å; F153-R159 HydrophobicContact CE1-CG 4.27Å; F153-R159 HydrophobicContact CE2-CG 4.23Å; F153-R159 HydrophobicContact CG-CG 4.16Å; F153-R159 HydrophobicContact CZ-CG 4.28Å; F153-R160 HydrophobicContact CB-CB 4.13Å; F153-L163 HydrophobicContact CD2-CD1 3.6Å; F153-L163 HydrophobicContact CE2-CD1 3.68Å
154	Y	89.2	Confident	88.7	Confident	84 Å²	84	56 Å²	56	33%	0.329	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-33.6	174.6	78.9	-77.6	0	0	0	113.6	H109 D151 L152	H109-Y154 AromaticContact NE2-CE2 3.9Å; H109-Y154 AromaticContact NE2-CZ 3.76Å; D151-Y154 WeakPolarHBondContact O-CB 3.42Å; D151-Y154 PolarHBondContact O-N 3.17Å; D151-Y154 VanDerWaalsContact O-N 3.13Å; L152-Y154 VanDerWaalsContact C-N 3.32Å; L152-Y154 PolarHBondContact O-N 2.89Å
155	N	86.9	Confident	88.4	Confident	46 Å²	46	58.4 Å²	58.4	25%	0.246	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	0.3	-178.8	61.3	0.3	0	0	0	114.3	H106 F153	H106-N155 PolarHBondContact O-ND2 3.22Å; F153-N155 PolarHBondContact O-N 3.06Å; F153-N155 VanDerWaalsContact O-N 3.13Å
156	V	85.9	Confident	88.1	Confident	27 Å²	27	60.4 Å²	60.4	16%	0.164	31%	0.314	C	S	.	.			trans	-128.7	75.6	177.5	-170.1	0	0	0	0	110	F153 T158 R159 R160	F153-V156 HydrophobicContact CB-CB 4.5Å; F153-V156 CarbonylContact O-C 3.55Å; F153-V156 PolarHBondContact O-N 3.37Å; V156-T158 VanDerWaalsContact C-N 3.25Å; V156-T158 PolarHBondContact O-N 3.32Å; V156-R159 HydrophobicContact CB-CB 4.35Å; V156-R159 HydrophobicContact CG1-CB 3.73Å; V156-R159 PolarHBondContact O-N 3.07Å; V156-R159 VanDerWaalsContact O-N 3.16Å; V156-R160 PolarHBondContact O-N 2.84Å
157	S	82.6	Confident	87.8	Confident	82 Å²	82	61.2 Å²	61.2	57%	0.573	33%	0.329	S	S	*	.	H	α-helix	trans	-58.9	-31.2	-174.4	60.7	0	0	0	0	114.2	K161	S157-K161 WeakPolarHBondContact O-CB 3.41Å; S157-K161 WeakPolarHBondContact O-CG 3.45Å; S157-K161 PolarHBondContact O-N 3.26Å
158	T	85.4	Confident	87.6	Confident	107 Å²	107	64 Å²	64	66%	0.656	34%	0.343	S	S	*	.	H	α-helix	trans	-65.2	-49.2	174.7	48.4	0	0	0	0	111.9	V156 K161 A162	V156-T158 VanDerWaalsContact C-N 3.25Å; V156-T158 PolarHBondContact O-N 3.32Å; T158-K161 PolarHBondContact O-N 2.92Å; T158-A162 WeakPolarHBondContact O-CB 3.32Å; T158-A162 PolarHBondContact O-N 3.33Å
159	R	81.9	Confident	87.4	Confident	70 Å²	70	62.6 Å²	62.6	26%	0.264	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-40.6	175.4	-175.1	173.2	-79	113	-4.6	111.1	G19 F153 V156 K161 A162 L163	G19-R159 PolarHBondContact O-NH2 3.23Å; F153-R159 HydrophobicContact CD1-CG 4.2Å; F153-R159 HydrophobicContact CD2-CG 4.18Å; F153-R159 HydrophobicContact CE1-CG 4.27Å; F153-R159 HydrophobicContact CE2-CG 4.23Å; F153-R159 HydrophobicContact CG-CG 4.16Å; F153-R159 HydrophobicContact CZ-CG 4.28Å; V156-R159 HydrophobicContact CB-CB 4.35Å; V156-R159 HydrophobicContact CG1-CB 3.73Å; V156-R159 PolarHBondContact O-N 3.07Å; V156-R159 VanDerWaalsContact O-N 3.16Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.14Å; R159-A162 PolarHBondContact O-N 3.29Å; R159-A162 VanDerWaalsContact O-N 3.1Å; R159-L163 WeakPolarHBondContact O-CG 3.39Å; R159-L163 PolarHBondContact O-N 2.98Å
160	R	83.3	Confident	87.3	Confident	106 Å²	106	63.5 Å²	63.5	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-36.4	175.4	-169.4	173.9	176.9	165.9	5	112.9	F153 V156	F153-R160 HydrophobicContact CB-CB 4.13Å; V156-R160 PolarHBondContact O-N 2.84Å
161	K	82.9	Confident	87.2	Confident	186 Å²	186	63.5 Å²	63.5	81%	0.809	35%	0.348	S	S	*	.	H	α-helix	trans	-76.9	-20.6	174.2	-75.3	-177.1	177.2	-170.2	0	114.4	S157 T158 R159	S157-K161 WeakPolarHBondContact O-CB 3.41Å; S157-K161 WeakPolarHBondContact O-CG 3.45Å; S157-K161 PolarHBondContact O-N 3.26Å; T158-K161 PolarHBondContact O-N 2.92Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.14Å
162	A	83.8	Confident	87.2	Confident	76 Å²	76	66.1 Å²	66.1	63%	0.628	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.2	-178.7	0	0	0	0	0	114	T158 R159	T158-A162 WeakPolarHBondContact O-CB 3.32Å; T158-A162 PolarHBondContact O-N 3.33Å; R159-A162 PolarHBondContact O-N 3.29Å; R159-A162 VanDerWaalsContact O-N 3.1Å
163	L	81.3	Confident	87.3	Confident	24 Å²	24	66 Å²	66	13%	0.126	35%	0.352	C	S	.	.	S	Bend	trans	-79.8	151.5	174	-66.7	162.9	0	0	0	110.1	R24 L53 F153 R159	R24-L163 HydrophobicContact CB-CD2 4.28Å; R24-L163 HydrophobicContact CG-CD2 3.77Å; L53-L163 HydrophobicContact CD2-CD1 3.53Å; F153-L163 HydrophobicContact CD2-CD1 3.6Å; F153-L163 HydrophobicContact CE2-CD1 3.68Å; R159-L163 WeakPolarHBondContact O-CG 3.39Å; R159-L163 PolarHBondContact O-N 2.98Å
164	K	74.3	Confident	87.5	Confident	131 Å²	131	67.2 Å²	67.2	57%	0.57	36%	0.36	S	S	*	.			trans	-77.8	-166.6	-179.9	-75.8	-157.1	168.7	-159.3	0	111.1	D168	K164-D168 HydrophobicContact CB-CB 3.81Å; K164-D168 WeakPolarHBondContact CB-OD2 3.45Å
165	S	88.3	Confident	87.7	Confident	53 Å²	53	65.8 Å²	65.8	37%	0.371	36%	0.358	S	S	.	.			trans	-57.8	150.7	177.9	77.4	0	0	0	0	111.1	A167 D168 E169	S165-A167 PolarHBondContact O-N 3.11Å; S165-A167 VanDerWaalsContact O-N 3.08Å; S165-A167 PolarHBondContact OG-N 3.46Å; S165-D168 VanDerWaalsContact CB-OD2 3.32Å; S165-D168 WeakPolarHBondContact CB-OD2 3.31Å; S165-D168 PolarHBondContact N-OD2 2.7Å; S165-D168 VanDerWaalsContact N-OD2 3.16Å; S165-D168 WeakPolarHBondContact O-CB 3.41Å; S165-D168 PolarHBondContact O-N 3.29Å; S165-D168 VanDerWaalsContact OG-CG 3.27Å; S165-D168 PolarHBondContact OG-N 2.92Å; S165-D168 VanDerWaalsContact OG-N 3.1Å; S165-D168 PolarHBondContact OG-OD2 3.1Å; S165-E169 PolarHBondContact O-N 3.12Å
166	P	90.5	Very high	88	Confident	51 Å²	51	64.3 Å²	64.3	33%	0.331	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-24.1	173	-28.4	36.9	0	0	0	113.9	D50 G51 Y170	D50-P166 WeakPolarHBondContact OD1-CB 3.42Å; D50-P166 VanDerWaalsContact OD1-CG 3.23Å; D50-P166 WeakPolarHBondContact OD1-CG 3.2Å; G51-P166 WeakPolarHBondContact CA-O 3.34Å; G51-P166 PolarHBondContact N-O 2.99Å; P166-Y170 WeakPolarHBondContact O-CB 3.39Å; P166-Y170 PolarHBondContact O-N 2.94Å; P166-Y170 VanDerWaalsContact O-N 3.14Å
167	A	90	Very high	88.4	Confident	64 Å²	64	63 Å²	63	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-73.7	-41.3	174.1	0	0	0	0	0	112.4	S165 E169 Y170 S171	S165-A167 PolarHBondContact O-N 3.11Å; S165-A167 VanDerWaalsContact O-N 3.08Å; S165-A167 PolarHBondContact OG-N 3.46Å; A167-E169 PolarHBondContact O-N 3.42Å; A167-Y170 PolarHBondContact O-N 3.21Å; A167-S171 PolarHBondContact O-N 3.05Å; A167-S171 PolarHBondContact O-OG 3.35Å; A167-S171 VanDerWaalsContact O-OG 3.09Å
168	D	91.4	Very high	89	Confident	67 Å²	67	59.4 Å²	59.4	36%	0.358	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-45.9	175.8	-68.5	-69.8	0	0	0	111.8	K164 S165 S171 R172	K164-D168 HydrophobicContact CB-CB 3.81Å; K164-D168 WeakPolarHBondContact CB-OD2 3.45Å; S165-D168 VanDerWaalsContact CB-OD2 3.32Å; S165-D168 WeakPolarHBondContact CB-OD2 3.31Å; S165-D168 PolarHBondContact N-OD2 2.7Å; S165-D168 VanDerWaalsContact N-OD2 3.16Å; S165-D168 WeakPolarHBondContact O-CB 3.41Å; S165-D168 PolarHBondContact O-N 3.29Å; S165-D168 VanDerWaalsContact OG-CG 3.27Å; S165-D168 PolarHBondContact OG-N 2.92Å; S165-D168 VanDerWaalsContact OG-N 3.1Å; S165-D168 PolarHBondContact OG-OD2 3.1Å; D168-S171 PolarHBondContact O-N 3.26Å; D168-R172 WeakPolarHBondContact O-CG 3.28Å; D168-R172 PolarHBondContact O-N 3.16Å; D168-R172 VanDerWaalsContact O-N 3.07Å
169	E	92	Very high	89.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.1	-32.4	179.7	-62.4	-58.6	145.2	0	0	111.8	R24 P25 S165 A167 R172 I173	R24-E169 WeakPolarHBondContact CD-OE2 3.25Å; R24-E169 IonicContact CZ-OE1 2.66Å; R24-E169 IonicContact NH1-OE1 3.7Å; R24-E169 PolarHBondContact NH1-OE1 3.02Å; P25-E169 HydrophobicContact CG-CB 4.37Å; S165-E169 PolarHBondContact O-N 3.12Å; A167-E169 PolarHBondContact O-N 3.42Å; E169-R172 PolarHBondContact O-N 3.44Å; E169-I173 WeakPolarHBondContact O-CG1 3.45Å; E169-I173 PolarHBondContact O-N 3.43Å
170	Y	94.1	Very high	90	Very high	23 Å²	23	52.5 Å²	52.5	9%	0.09	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-47.3	170.3	-174.8	-107.6	0	0	0	112.1	V48 P166 A167 R172 I173 V174 V191 K193 D200	V48-Y170 HydrophobicContact CB-CD2 3.86Å; V48-Y170 HydrophobicContact CB-CE2 3.77Å; V48-Y170 HydrophobicContact CG1-CD2 3.9Å; V48-Y170 HydrophobicContact CG1-CE2 4.33Å; V48-Y170 HydrophobicContact CG2-CD2 4.15Å; V48-Y170 HydrophobicContact CG2-CE2 3.84Å; P166-Y170 WeakPolarHBondContact O-CB 3.39Å; P166-Y170 PolarHBondContact O-N 2.94Å; P166-Y170 VanDerWaalsContact O-N 3.14Å; A167-Y170 PolarHBondContact O-N 3.21Å; Y170-R172 PolarHBondContact O-N 3.05Å; Y170-I173 WeakPolarHBondContact O-CA 3.08Å; Y170-I173 WeakPolarHBondContact O-CB 3.09Å; Y170-I173 PolarHBondContact O-N 3.36Å; Y170-V174 HydrophobicContact CD1-CG2 4Å; Y170-V174 HydrophobicContact CE1-CG2 3.55Å; Y170-V174 HydrophobicContact CE2-CG2 4.23Å; Y170-V174 WeakPolarHBondContact O-CG2 3.31Å; Y170-V174 PolarHBondContact O-N 3.36Å; Y170-V191 HydrophobicContact CE2-CG1 4.17Å; Y170-K193 HydrophobicContact CD2-CG 4.46Å; Y170-K193 HydrophobicContact CE1-CD 4.15Å; Y170-K193 HydrophobicContact CE1-CG 3.92Å; Y170-K193 HydrophobicContact CE2-CG 3.83Å; Y170-D200 WeakPolarHBondContact CE1-OD2 3.46Å; Y170-D200 VanDerWaalsContact CZ-OD2 3.25Å; Y170-D200 PolarHBondContact OH-OD2 3.07Å
171	S	92.9	Very high	90.5	Very high	75 Å²	75	47.4 Å²	47.4	52%	0.524	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-36.5	176.6	-63.4	0	0	0	0	112.3	A167 D168 V174 D175	A167-S171 PolarHBondContact O-N 3.05Å; A167-S171 PolarHBondContact O-OG 3.35Å; A167-S171 VanDerWaalsContact O-OG 3.09Å; D168-S171 PolarHBondContact O-N 3.26Å; S171-V174 PolarHBondContact O-N 3.49Å; S171-D175 WeakPolarHBondContact O-CB 3.48Å; S171-D175 PolarHBondContact O-N 3.48Å
172	R	92.6	Very high	91	Very high	113 Å²	113	38.6 Å²	38.6	43%	0.426	22%	0.222	S	C	.	.	H	α-helix	trans	-66.2	-37.3	172.8	-71.4	167.8	179.8	-85	-8.4	113.1	A26 D168 E169 Y170 V176	A26-R172 HydrophobicContact CB-CB 4Å; D168-R172 WeakPolarHBondContact O-CG 3.28Å; D168-R172 PolarHBondContact O-N 3.16Å; D168-R172 VanDerWaalsContact O-N 3.07Å; E169-R172 PolarHBondContact O-N 3.44Å; Y170-R172 PolarHBondContact O-N 3.05Å; R172-V176 WeakPolarHBondContact O-CG2 3.49Å; R172-V176 PolarHBondContact O-N 3.35Å
173	I	94.3	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-45.8	173.2	-69.8	166.4	0	0	0	110.3	P25 A26 V29 V46 V48 G51 E169 Y170 D175 V176 V177 V191	P25-I173 HydrophobicContact CB-CD1 3.9Å; P25-I173 HydrophobicContact CB-CG1 4.43Å; A26-I173 HydrophobicContact CB-CG1 4.3Å; V29-I173 HydrophobicContact CG1-CG2 4.31Å; V29-I173 HydrophobicContact CG2-CB 4.49Å; V29-I173 HydrophobicContact CG2-CD1 4.27Å; V29-I173 HydrophobicContact CG2-CG1 3.91Å; V29-I173 HydrophobicContact CG2-CG2 3.93Å; V46-I173 HydrophobicContact CG1-CG2 4.3Å; V48-I173 HydrophobicContact CG1-CD1 3.78Å; V48-I173 HydrophobicContact CG2-CD1 4.31Å; V48-I173 HydrophobicContact CG2-CG2 3.99Å; G51-I173 WeakPolarHBondContact O-CD1 3.41Å; E169-I173 WeakPolarHBondContact O-CG1 3.45Å; E169-I173 PolarHBondContact O-N 3.43Å; Y170-I173 WeakPolarHBondContact O-CA 3.08Å; Y170-I173 WeakPolarHBondContact O-CB 3.09Å; Y170-I173 PolarHBondContact O-N 3.36Å; I173-D175 PolarHBondContact O-N 3.32Å; I173-V176 PolarHBondContact O-N 3.25Å; I173-V177 HydrophobicContact CG2-CG2 4.36Å; I173-V177 VanDerWaalsContact O-CG2 3.26Å; I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 2.89Å; I173-V191 HydrophobicContact CG2-CG1 4.43Å
174	V	94.4	Very high	91.9	Very high	27 Å²	27	35.4 Å²	35.4	16%	0.164	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-45.4	178.3	174.3	0	0	0	0	111	Y170 S171 V177 S178 V191 V201	Y170-V174 HydrophobicContact CD1-CG2 4Å; Y170-V174 HydrophobicContact CE1-CG2 3.55Å; Y170-V174 HydrophobicContact CE2-CG2 4.23Å; Y170-V174 WeakPolarHBondContact O-CG2 3.31Å; Y170-V174 PolarHBondContact O-N 3.36Å; S171-V174 PolarHBondContact O-N 3.49Å; V174-V177 PolarHBondContact O-N 3.37Å; V174-S178 WeakPolarHBondContact O-CB 3.42Å; V174-S178 PolarHBondContact O-N 3.48Å; V174-S178 PolarHBondContact O-OG 2.91Å; V174-V191 HydrophobicContact CG2-CG1 4.04Å; V174-V201 HydrophobicContact CG1-CG2 3.64Å
175	D	92.9	Very high	92.6	Very high	53 Å²	53	31.8 Å²	31.8	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-58.5	-52.5	175	176.5	24	0	0	0	111.9	S171 I173 V177 S178 R179	S171-D175 WeakPolarHBondContact O-CB 3.48Å; S171-D175 PolarHBondContact O-N 3.48Å; I173-D175 PolarHBondContact O-N 3.32Å; D175-V177 PolarHBondContact O-N 2.84Å; D175-S178 WeakPolarHBondContact O-CB 3.29Å; D175-S178 PolarHBondContact O-N 2.97Å; D175-S178 VanDerWaalsContact O-N 3.13Å; D175-R179 WeakPolarHBondContact O-CG 3.49Å; D175-R179 PolarHBondContact O-N 3Å; D175-R179 IonicContact OD1-CZ 3.68Å; D175-R179 IonicContact OD1-NE 4Å; D175-R179 PolarHBondContact OD1-NE 2.84Å; D175-R179 IonicContact OD1-NH2 3.31Å; D175-R179 IonicContact OD2-CZ 3.48Å; D175-R179 IonicContact OD2-NE 3.3Å; D175-R179 IonicContact OD2-NH2 3.8Å; D175-R179 PolarHBondContact OD2-NH2 3.5Å
176	V	93.5	Very high	92.5	Very high	16 Å²	16	31.2 Å²	31.2	10%	0.097	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-49.2	177.3	168.4	0	0	0	0	111.7	A26 V29 K30 R172 I173 S178 R179 Y180	A26-V176 HydrophobicContact CB-CG2 4.24Å; V29-V176 HydrophobicContact CG1-CG1 4.37Å; K30-V176 HydrophobicContact CB-CG1 4.14Å; R172-V176 WeakPolarHBondContact O-CG2 3.49Å; R172-V176 PolarHBondContact O-N 3.35Å; I173-V176 PolarHBondContact O-N 3.25Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.21Å; V176-R179 PolarHBondContact O-N 2.91Å; V176-Y180 HydrophobicContact CG1-CD2 4.22Å; V176-Y180 HydrophobicContact CG1-CE2 4.3Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.19Å
177	V	94.9	Very high	92.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-40.5	179.7	-178.7	0	0	0	0	111	V29 I33 V46 I173 V174 D175 Y180 A181 F189 V191	V29-V177 HydrophobicContact CG1-CG2 3.86Å; I33-V177 HydrophobicContact CD1-CB 4.45Å; I33-V177 HydrophobicContact CD1-CG2 3.74Å; V46-V177 HydrophobicContact CG2-CG2 3.99Å; I173-V177 HydrophobicContact CG2-CG2 4.36Å; I173-V177 VanDerWaalsContact O-CG2 3.26Å; I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 2.89Å; V174-V177 PolarHBondContact O-N 3.37Å; D175-V177 PolarHBondContact O-N 2.84Å; V177-Y180 PolarHBondContact O-N 3.25Å; V177-A181 VanDerWaalsContact O-CB 3.27Å; V177-A181 WeakPolarHBondContact O-CB 3.02Å; V177-A181 PolarHBondContact O-N 2.94Å; V177-F189 HydrophobicContact CG1-CB 4.08Å; V177-F189 HydrophobicContact CG1-CD1 4.02Å; V177-F189 HydrophobicContact CG1-CG 4.45Å; V177-V191 HydrophobicContact CB-CG2 3.51Å; V177-V191 HydrophobicContact CG1-CG2 3.39Å; V177-V191 HydrophobicContact CG2-CG2 3.64Å
178	S	93.8	Very high	92.7	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-46.1	178.1	-65.7	0	0	0	0	112.6	V174 D175 V176 A181 I182	V174-S178 WeakPolarHBondContact O-CB 3.42Å; V174-S178 PolarHBondContact O-N 3.48Å; V174-S178 PolarHBondContact O-OG 2.91Å; D175-S178 WeakPolarHBondContact O-CB 3.29Å; D175-S178 PolarHBondContact O-N 2.97Å; D175-S178 VanDerWaalsContact O-N 3.13Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.21Å; S178-A181 PolarHBondContact O-N 3.48Å; S178-I182 WeakPolarHBondContact O-CG1 3.44Å; S178-I182 PolarHBondContact O-N 3.31Å
179	R	94.3	Very high	92.9	Very high	32 Å²	32	25.4 Å²	25.4	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-47.5	176.2	-64.9	-174.8	-157.3	-177.6	9.8	111.4	D175 V176 A181 I182 H183 V256 F258 L263 E265	D175-R179 WeakPolarHBondContact O-CG 3.49Å; D175-R179 PolarHBondContact O-N 3Å; D175-R179 IonicContact OD1-CZ 3.68Å; D175-R179 IonicContact OD1-NE 4Å; D175-R179 PolarHBondContact OD1-NE 2.84Å; D175-R179 IonicContact OD1-NH2 3.31Å; D175-R179 IonicContact OD2-CZ 3.48Å; D175-R179 IonicContact OD2-NE 3.3Å; D175-R179 IonicContact OD2-NH2 3.8Å; D175-R179 PolarHBondContact OD2-NH2 3.5Å; V176-R179 PolarHBondContact O-N 2.91Å; R179-A181 VanDerWaalsContact C-N 3.34Å; R179-A181 PolarHBondContact O-N 3.18Å; R179-I182 PolarHBondContact O-N 3.13Å; R179-H183 PolarHBondContact O-N 3.23Å; R179-V256 HydrophobicContact CB-CG1 3.9Å; R179-V256 HydrophobicContact CG-CG1 3.96Å; R179-V256 HydrophobicContact CG-CG2 4.14Å; R179-F258 HydrophobicContact CB-CE2 4.31Å; R179-F258 HydrophobicContact CB-CZ 4.39Å; R179-F258 WeakPolarHBondContact O-CE2 3.44Å; R179-F258 WeakPolarHBondContact O-CZ 3.49Å; R179-L263 HydrophobicContact CB-CD1 4.15Å; R179-L263 HydrophobicContact CB-CD2 4.26Å; R179-L263 HydrophobicContact CG-CD1 4.48Å; R179-E265 IonicContact CZ-OE1 2.71Å; R179-E265 IonicContact NH1-OE1 2.68Å; R179-E265 PolarHBondContact NH1-OE1 2.98Å; R179-E265 IonicContact NH2-OE1 2.7Å; R179-E265 PolarHBondContact NH2-OE1 3.47Å
180	Y	94.1	Very high	93.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-34.7	177.5	-84.1	-99.6	0	0	0	112.9	K30 I33 E34 L37 Y94 V176 V177 H183 N184 F258 L263	K30-Y180 VanDerWaalsContact CE-OH 3.3Å; K30-Y180 WeakPolarHBondContact CE-OH 3.48Å; K30-Y180 HydrophobicContact CG-CE2 4.03Å; K30-Y180 WeakPolarHBondContact CG-OH 3.29Å; I33-Y180 HydrophobicContact CG2-CD1 3.9Å; I33-Y180 HydrophobicContact CG2-CE1 4.5Å; I33-Y180 HydrophobicContact CG2-CG 4.11Å; E34-Y180 HydrophobicContact CG-CE1 4.04Å; E34-Y180 PolarHBondContact OE1-OH 2.67Å; L37-Y180 HydrophobicContact CD1-CD1 3.79Å; L37-Y180 HydrophobicContact CD1-CE1 4.29Å; Y94-Y180 HydrophobicContact CD1-CE1 4.25Å; Y94-Y180 HydrophobicContact CE1-CE1 4.03Å; V176-Y180 HydrophobicContact CG1-CD2 4.22Å; V176-Y180 HydrophobicContact CG1-CE2 4.3Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.19Å; V177-Y180 PolarHBondContact O-N 3.25Å; Y180-H183 PolarHBondContact O-N 2.88Å; Y180-N184 WeakPolarHBondContact O-CB 3.37Å; Y180-N184 PolarHBondContact O-N 3.33Å; Y180-N184 PolarHBondContact O-ND2 3.39Å; Y180-F258 HydrophobicContact CD1-CE1 4.3Å; Y180-F258 HydrophobicContact CD2-CZ 4.34Å; Y180-F258 HydrophobicContact CE1-CE1 4.31Å; Y180-F258 HydrophobicContact CG-CE1 4.47Å; Y180-F258 HydrophobicContact CG-CZ 4.32Å; Y180-L263 HydrophobicContact CD2-CB 4.35Å; Y180-L263 HydrophobicContact CD2-CD2 4.2Å; Y180-L263 HydrophobicContact CE2-CB 3.5Å; Y180-L263 VanDerWaalsContact CE2-CB 3.5Å; Y180-L263 HydrophobicContact CE2-CD2 3.68Å; Y180-L263 HydrophobicContact CE2-CG 4.24Å
181	A	93.9	Very high	93.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.9	-34.8	178.9	0	0	0	0	0	113.2	V177 S178 R179 F189 T203 N212	V177-A181 VanDerWaalsContact O-CB 3.27Å; V177-A181 WeakPolarHBondContact O-CB 3.02Å; V177-A181 PolarHBondContact O-N 2.94Å; S178-A181 PolarHBondContact O-N 3.48Å; R179-A181 VanDerWaalsContact C-N 3.34Å; R179-A181 PolarHBondContact O-N 3.18Å; A181-F189 HydrophobicContact CB-CB 3.79Å; A181-F189 HydrophobicContact CB-CD1 4.38Å; A181-F189 HydrophobicContact CB-CD2 3.55Å; A181-F189 HydrophobicContact CB-CE2 4.19Å; A181-F189 HydrophobicContact CB-CG 3.66Å; A181-T203 HydrophobicContact CB-CG2 3.82Å; A181-N212 PolarHBondContact O-ND2 3.38Å
182	I	92.8	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-46.6	173	-72.6	163.6	0	0	0	110.8	S178 R179 V209 N212 I213 V216 F217 Y290	S178-I182 WeakPolarHBondContact O-CG1 3.44Å; S178-I182 PolarHBondContact O-N 3.31Å; R179-I182 PolarHBondContact O-N 3.13Å; I182-V209 HydrophobicContact CG2-CG1 3.96Å; I182-N212 HydrophobicContact CG1-CB 4.11Å; I182-I213 HydrophobicContact CD1-CG1 3.95Å; I182-I213 HydrophobicContact CG1-CG1 4.02Å; I182-I213 HydrophobicContact CG2-CD1 4.16Å; I182-I213 HydrophobicContact CG2-CG1 3.71Å; I182-V216 HydrophobicContact CD1-CB 4.18Å; I182-V216 HydrophobicContact CD1-CG1 4.06Å; I182-V216 HydrophobicContact CD1-CG2 4.41Å; I182-V216 HydrophobicContact CG1-CG2 4.44Å; I182-F217 HydrophobicContact CD1-CD2 3.7Å; I182-F217 HydrophobicContact CD1-CE2 3.38Å; I182-Y290 HydrophobicContact CG2-CD1 4.49Å; I182-Y290 HydrophobicContact CG2-CD2 3.79Å; I182-Y290 HydrophobicContact CG2-CE2 3.98Å; I182-Y290 HydrophobicContact CG2-CG 4.06Å
183	H	93.9	Very high	93.2	Very high	21 Å²	21	22.8 Å²	22.8	10%	0.097	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-38.3	179.7	-174.4	61.7	0	0	0	112.8	R179 Y180 S185 F258 H261 Y290 S292	R179-H183 PolarHBondContact O-N 3.23Å; Y180-H183 PolarHBondContact O-N 2.88Å; H183-S185 VanDerWaalsContact C-N 3.34Å; H183-S185 PolarHBondContact O-N 3.03Å; H183-F258 HydrophobicContact CB-CD1 4.01Å; H183-F258 HydrophobicContact CB-CD2 3.8Å; H183-F258 HydrophobicContact CB-CE1 3.85Å; H183-F258 HydrophobicContact CB-CE2 3.61Å; H183-F258 HydrophobicContact CB-CG 4Å; H183-F258 HydrophobicContact CB-CZ 3.65Å; H183-F258 AromaticContact CD2-CD1 3.53Å; H183-F258 AromaticContact CD2-CE1 3.85Å; H183-F258 AromaticContact CD2-CG 3.98Å; H183-F258 AromaticContact CG-CD1 3.6Å; H183-F258 AromaticContact CG-CD2 3.91Å; H183-F258 AromaticContact CG-CE1 3.88Å; H183-F258 AromaticContact CG-CG 3.62Å; H183-F258 AromaticContact ND1-CG 3.76Å; H183-H261 AromaticContact CE1-ND1 3.59Å; H183-H261 WeakPolarHBondContact NE2-CA 3.28Å; H183-H261 AromaticContact NE2-CG 3.63Å; H183-H261 AromaticContact NE2-ND1 2.94Å; H183-H261 PolarHBondContact NE2-ND1 2.82Å; H183-Y290 HydrophobicContact CB-CE2 4.19Å; H183-Y290 AromaticContact ND1-CZ 3.94Å; H183-Y290 PolarHBondContact ND1-OH 3.34Å; H183-S292 PolarHBondContact CE1-OG 3.02Å; H183-S292 VanDerWaalsContact CE1-OG 3.31Å
184	N	91.4	Very high	93	Very high	13 Å²	13	27 Å²	27	7%	0.07	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	57.6	178.5	-77.3	-96.8	0	0	0	112.3	L37 Y180 K187 F189	L37-N184 WeakPolarHBondContact CD2-OD1 3.5Å; Y180-N184 WeakPolarHBondContact O-CB 3.37Å; Y180-N184 PolarHBondContact O-N 3.33Å; Y180-N184 PolarHBondContact O-ND2 3.39Å; N184-K187 HydrophobicContact CB-CB 4.45Å; N184-K187 HydrophobicContact CB-CD 4.07Å; N184-K187 HydrophobicContact CB-CG 4.5Å; N184-K187 PolarHBondContact O-N 3.49Å; N184-K187 PolarHBondContact OD1-NZ 3.42Å; N184-F189 HydrophobicContact CB-CE2 3.69Å; N184-F189 HydrophobicContact CB-CZ 3.9Å
185	S	88.1	Confident	92.6	Very high	55 Å²	55	29.5 Å²	29.5	39%	0.385	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	140.9	165.7	57.9	0	0	0	0	110.9	H183	H183-S185 VanDerWaalsContact C-N 3.34Å; H183-S185 PolarHBondContact O-N 3.03Å
186	G	86.3	Confident	92.4	Very high	41 Å²	41	31 Å²	31	42%	0.423	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	9.5	-171.2	0	0	0	0	0	115.3	P205 A207	G186-P205 CarbonylContact C-O 3.47Å; G186-P205 WeakPolarHBondContact CA-O 3.31Å; G186-A207 PolarHBondContact N-O 3.44Å
187	K	92.3	Very high	91.8	Very high	48 Å²	48	37 Å²	37	21%	0.209	22%	0.221	C	C	.	.	S	Bend	trans	-132.5	139.6	171.3	-57.7	-178.8	-170.4	160.4	0	110.1	L37 A41 T42 N184 F189 T203	L37-K187 HydrophobicContact CD2-CD 3.74Å; A41-K187 WeakPolarHBondContact O-CD 3.47Å; T42-K187 CarbonylContact O-C 3.53Å; T42-K187 WeakPolarHBondContact O-CA 3.28Å; N184-K187 HydrophobicContact CB-CB 4.45Å; N184-K187 HydrophobicContact CB-CD 4.07Å; N184-K187 HydrophobicContact CB-CG 4.5Å; N184-K187 PolarHBondContact O-N 3.49Å; N184-K187 PolarHBondContact OD1-NZ 3.42Å; K187-F189 HydrophobicContact CB-CD2 4.5Å; K187-F189 HydrophobicContact CB-CE2 3.93Å; K187-T203 PolarHBondContact O-OG1 2.7Å
188	S	93.8	Very high	91.3	Very high	11 Å²	11	42.3 Å²	42.3	8%	0.077	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122	177.2	61.9	0	0	0	0	111.5	T42 N43 I44 T203	T42-S188 PolarHBondContact O-N 3.4Å; N43-S188 CarbonylContact C-O 3.55Å; N43-S188 WeakPolarHBondContact CA-O 3.24Å; N43-S188 WeakPolarHBondContact CA-OG 3.45Å; N43-S188 WeakPolarHBondContact CB-OG 3.49Å; N43-S188 VanDerWaalsContact CG-OG 3.27Å; N43-S188 PolarHBondContact OD1-O 3.09Å; N43-S188 PolarHBondContact OD1-OG 3.02Å; I44-S188 PolarHBondContact N-O 3.33Å; S188-T203 WeakPolarHBondContact CB-O 3.34Å
189	F	95.4	Very high	91	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.5	170.3	-67.5	-104.4	0	0	0	109.1	I33 L37 I44 V177 A181 N184 K187 R202 T203	I33-F189 HydrophobicContact CG2-CE1 3.99Å; L37-F189 HydrophobicContact CD2-CZ 4.17Å; I44-F189 HydrophobicContact CB-CD1 4.16Å; I44-F189 HydrophobicContact CB-CE1 4.37Å; I44-F189 HydrophobicContact CD1-CD1 4.49Å; I44-F189 HydrophobicContact CD1-CE1 3.85Å; I44-F189 HydrophobicContact CD1-CZ 4.16Å; I44-F189 HydrophobicContact CG2-CD1 4.44Å; I44-F189 CarbonylContact O-C 3.4Å; I44-F189 VanDerWaalsContact O-CA 3.3Å; I44-F189 WeakPolarHBondContact O-CA 3.5Å; V177-F189 HydrophobicContact CG1-CB 4.08Å; V177-F189 HydrophobicContact CG1-CD1 4.02Å; V177-F189 HydrophobicContact CG1-CG 4.45Å; A181-F189 HydrophobicContact CB-CB 3.79Å; A181-F189 HydrophobicContact CB-CD1 4.38Å; A181-F189 HydrophobicContact CB-CD2 3.55Å; A181-F189 HydrophobicContact CB-CE2 4.19Å; A181-F189 HydrophobicContact CB-CG 3.66Å; N184-F189 HydrophobicContact CB-CE2 3.69Å; N184-F189 HydrophobicContact CB-CZ 3.9Å; K187-F189 HydrophobicContact CB-CD2 4.5Å; K187-F189 HydrophobicContact CB-CE2 3.93Å; F189-R202 CarbonylContact O-C 3.56Å; F189-R202 VanDerWaalsContact O-CA 3.32Å; F189-R202 WeakPolarHBondContact O-CA 3.42Å; F189-T203 PolarHBondContact N-OG1 3.23Å; F189-T203 PolarHBondContact O-N 2.78Å
190	S	94.6	Very high	90.6	Very high	20 Å²	20	45.7 Å²	45.7	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.1	162.8	55	0	0	0	0	113.1	I44 V46 V201	I44-S190 PolarHBondContact O-N 3.42Å; V46-S190 PolarHBondContact N-O 3.42Å; S190-V201 CarbonylContact C-O 3.51Å; S190-V201 WeakPolarHBondContact CA-O 3.42Å
191	V	95.2	Very high	90.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.7	175.4	-166.9	0	0	0	0	109.6	V46 V48 Y170 I173 V174 V177 A199 D200 V201	V46-V191 HydrophobicContact CB-CG1 4.42Å; V46-V191 HydrophobicContact CB-CG2 4.4Å; V46-V191 WeakPolarHBondContact O-CA 3.31Å; V48-V191 HydrophobicContact CG2-CG1 4.44Å; Y170-V191 HydrophobicContact CE2-CG1 4.17Å; I173-V191 HydrophobicContact CG2-CG1 4.43Å; V174-V191 HydrophobicContact CG2-CG1 4.04Å; V177-V191 HydrophobicContact CB-CG2 3.51Å; V177-V191 HydrophobicContact CG1-CG2 3.39Å; V177-V191 HydrophobicContact CG2-CG2 3.64Å; V191-A199 CarbonylContact O-C 3.6Å; V191-A199 WeakPolarHBondContact O-CA 3.32Å; V191-A199 VanDerWaalsContact O-CB 3.3Å; V191-A199 WeakPolarHBondContact O-CB 3.31Å; V191-D200 PolarHBondContact O-N 2.88Å; V191-V201 HydrophobicContact CB-CB 4.49Å; V191-V201 HydrophobicContact CG2-CB 4.32Å; V191-V201 PolarHBondContact N-O 3.15Å
192	K	94.4	Very high	90.3	Very high	70 Å²	70	54.4 Å²	54.4	30%	0.304	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159.5	174.9	64.1	-177.9	177.4	-179	0	112.5	V46 T47 V48 A199	V46-K192 PolarHBondContact O-N 2.86Å; T47-K192 WeakPolarHBondContact CA-O 3.49Å; T47-K192 HydrophobicContact CG2-CG 4.33Å; T47-K192 WeakPolarHBondContact OG1-CE 3.37Å; V48-K192 PolarHBondContact N-O 3.49Å; K192-A199 HydrophobicContact CB-CB 4.3Å
193	K	93.6	Very high	90.2	Very high	66 Å²	66	54.5 Å²	54.5	29%	0.287	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.1	170.9	-47	178.5	-148.8	62.1	0	109.8	V48 Y170 G195 E196 D200	V48-K193 CarbonylContact O-C 3.51Å; V48-K193 VanDerWaalsContact O-CA 3.28Å; V48-K193 WeakPolarHBondContact O-CA 3.28Å; Y170-K193 HydrophobicContact CD2-CG 4.46Å; Y170-K193 HydrophobicContact CE1-CD 4.15Å; Y170-K193 HydrophobicContact CE1-CG 3.92Å; Y170-K193 HydrophobicContact CE2-CG 3.83Å; K193-G195 PolarHBondContact O-N 3.2Å; K193-E196 HydrophobicContact CB-CG 4.25Å; K193-E196 VanDerWaalsContact CB-OE2 3.29Å; K193-E196 WeakPolarHBondContact CB-OE2 3.33Å; K193-E196 WeakPolarHBondContact CD-OE1 3.38Å; K193-E196 WeakPolarHBondContact CD-OE2 3.44Å; K193-E196 VanDerWaalsContact CG-OE2 3.23Å; K193-E196 WeakPolarHBondContact CG-OE2 3.27Å; K193-E196 VanDerWaalsContact NZ-CD 3.32Å; K193-E196 IonicContact NZ-OE1 3.68Å; K193-E196 PolarHBondContact NZ-OE1 2.94Å; K193-E196 VanDerWaalsContact NZ-OE1 3.17Å; K193-E196 IonicContact NZ-OE2 3.73Å; K193-E196 PolarHBondContact NZ-OE2 3.36Å; K193-E196 PolarHBondContact O-N 2.91Å; K193-E196 VanDerWaalsContact O-N 3.11Å; K193-D200 IonicContact NZ-OD1 3.17Å; K193-D200 PolarHBondContact NZ-OD1 2.94Å; K193-D200 IonicContact NZ-OD2 2.68Å; K193-D200 PolarHBondContact NZ-OD2 3.3Å
194	Q	90.1	Very high	90	Very high	88 Å²	88	58.4 Å²	58.4	41%	0.411	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	108.5	179.9	-173.6	-167.8	62.6	0	0	110.5	T47 V48 K49	T47-Q194 HydrophobicContact CG2-CB 3.92Å; T47-Q194 HydrophobicContact CG2-CG 4.39Å; V48-Q194 PolarHBondContact O-N 3.01Å; K49-Q194 HydrophobicContact CB-CB 4.2Å; K49-Q194 HydrophobicContact CD-CB 4.15Å
195	G	84.9	Confident	89.7	Confident	79 Å²	79	61 Å²	61	81%	0.814	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.6	-17.6	-177.8	0	0	0	0	0	112.7	K193	K193-G195 PolarHBondContact O-N 3.2Å
196	E	89.8	Confident	89.5	Confident	84 Å²	84	65.9 Å²	65.9	39%	0.393	37%	0.372	S	S	.	.			trans	-90.3	137.8	175.1	-66.6	173.4	171.9	0	0	111	K193	K193-E196 HydrophobicContact CB-CG 4.25Å; K193-E196 VanDerWaalsContact CB-OE2 3.29Å; K193-E196 WeakPolarHBondContact CB-OE2 3.33Å; K193-E196 WeakPolarHBondContact CD-OE1 3.38Å; K193-E196 WeakPolarHBondContact CD-OE2 3.44Å; K193-E196 VanDerWaalsContact CG-OE2 3.23Å; K193-E196 WeakPolarHBondContact CG-OE2 3.27Å; K193-E196 VanDerWaalsContact NZ-CD 3.32Å; K193-E196 IonicContact NZ-OE1 3.68Å; K193-E196 PolarHBondContact NZ-OE1 2.94Å; K193-E196 VanDerWaalsContact NZ-OE1 3.17Å; K193-E196 IonicContact NZ-OE2 3.73Å; K193-E196 PolarHBondContact NZ-OE2 3.36Å; K193-E196 PolarHBondContact O-N 2.91Å; K193-E196 VanDerWaalsContact O-N 3.11Å
197	T	80.4	Confident	89.6	Confident	143 Å²	143	64.5 Å²	64.5	88%	0.877	36%	0.357	S	S	*	.	S	Bend	trans	-82	-32	176.4	-51	0	0	0	0	111.9
198	V	85.3	Confident	89.6	Confident	112 Å²	112	64.6 Å²	64.6	68%	0.679	36%	0.364	S	S	*	.	S	Bend	trans	-78.9	146.5	176.5	-175.2	0	0	0	0	109.3
199	A	86	Confident	89.6	Confident	28 Å²	28	65.3 Å²	65.3	23%	0.231	37%	0.368	C	S	.	.			trans	-103.1	127.7	170.7	0	0	0	0	0	108.9	V191 K192 V201 R202	V191-A199 CarbonylContact O-C 3.6Å; V191-A199 WeakPolarHBondContact O-CA 3.32Å; V191-A199 VanDerWaalsContact O-CB 3.3Å; V191-A199 WeakPolarHBondContact O-CB 3.31Å; K192-A199 HydrophobicContact CB-CB 4.3Å; A199-V201 PolarHBondContact O-N 3.29Å; A199-R202 HydrophobicContact CB-CB 4.35Å
200	D	87	Confident	89.4	Confident	80 Å²	80	66.8 Å²	66.8	43%	0.428	38%	0.377	S	S	.	.	S	Bend	trans	-65.2	-29.1	-179.9	-63.7	-52.7	0	0	0	111.4	Y170 V191 K193	Y170-D200 WeakPolarHBondContact CE1-OD2 3.46Å; Y170-D200 VanDerWaalsContact CZ-OD2 3.25Å; Y170-D200 PolarHBondContact OH-OD2 3.07Å; V191-D200 PolarHBondContact O-N 2.88Å; K193-D200 IonicContact NZ-OD1 3.17Å; K193-D200 PolarHBondContact NZ-OD1 2.94Å; K193-D200 IonicContact NZ-OD2 2.68Å; K193-D200 PolarHBondContact NZ-OD2 3.3Å
201	V	89.3	Confident	89.3	Confident	10 Å²	10	68.8 Å²	68.8	6%	0.061	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.5	170	171	0	0	0	0	109.2	V174 S190 V191 A199 V216	V174-V201 HydrophobicContact CG1-CG2 3.64Å; S190-V201 CarbonylContact C-O 3.51Å; S190-V201 WeakPolarHBondContact CA-O 3.42Å; V191-V201 HydrophobicContact CB-CB 4.49Å; V191-V201 HydrophobicContact CG2-CB 4.32Å; V191-V201 PolarHBondContact N-O 3.15Å; A199-V201 PolarHBondContact O-N 3.29Å; V201-V216 HydrophobicContact CG1-CG2 4.25Å
202	R	91.9	Very high	89.2	Confident	172 Å²	172	68.9 Å²	68.9	65%	0.649	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.1	112.7	175.9	179.8	-178	174.9	-172	-2.4	111.2	F189 A199 S215	F189-R202 CarbonylContact O-C 3.56Å; F189-R202 VanDerWaalsContact O-CA 3.32Å; F189-R202 WeakPolarHBondContact O-CA 3.42Å; A199-R202 HydrophobicContact CB-CB 4.35Å; R202-S215 PolarHBondContact O-OG 3.37Å
203	T	91.4	Very high	89.1	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.018	37%	0.372	C	S	.	.			trans	-94.9	159.5	170.7	62.9	0	0	0	0	111.9	A181 K187 S188 F189 N212	A181-T203 HydrophobicContact CB-CG2 3.82Å; K187-T203 PolarHBondContact O-OG1 2.7Å; S188-T203 WeakPolarHBondContact CB-O 3.34Å; F189-T203 PolarHBondContact N-OG1 3.23Å; F189-T203 PolarHBondContact O-N 2.78Å; T203-N212 VanDerWaalsContact CB-OD1 3.32Å; T203-N212 WeakPolarHBondContact CB-OD1 3.25Å; T203-N212 HydrophobicContact CG2-CB 4.17Å; T203-N212 VanDerWaalsContact CG2-OD1 3.29Å; T203-N212 WeakPolarHBondContact CG2-OD1 3.39Å
204	L	89.7	Confident	89	Confident	102 Å²	102	67.1 Å²	67.1	53%	0.534	38%	0.376	S	S	.	.			trans	-98.7	148.4	-179.6	-61.5	175.3	0	0	0	111.4	N206 A207	L204-N206 PolarHBondContact O-N 3.49Å; L204-A207 HydrophobicContact CB-CB 4.19Å; L204-A207 WeakPolarHBondContact O-CB 3.18Å; L204-A207 PolarHBondContact O-N 3.33Å; L204-A207 VanDerWaalsContact O-N 3.13Å
205	P	83.6	Confident	89	Confident	68 Å²	68	66.2 Å²	66.2	44%	0.442	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.6	-176.4	-25.6	33.6	0	0	0	115.8	G186	G186-P205 CarbonylContact C-O 3.47Å; G186-P205 WeakPolarHBondContact CA-O 3.31Å
206	N	85	Confident	89.2	Confident	157 Å²	157	64 Å²	64	84%	0.84	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	17.8	-179.1	-65.1	-7.7	0	0	0	112.8	L204	L204-N206 PolarHBondContact O-N 3.49Å
207	A	88.9	Confident	89.2	Confident	13 Å²	13	62.4 Å²	62.4	11%	0.107	34%	0.342	C	S	.	.			trans	-72.6	141.6	179.8	0	0	0	0	0	112.3	G186 L204 D211 N212	G186-A207 PolarHBondContact N-O 3.44Å; L204-A207 HydrophobicContact CB-CB 4.19Å; L204-A207 WeakPolarHBondContact O-CB 3.18Å; L204-A207 PolarHBondContact O-N 3.33Å; L204-A207 VanDerWaalsContact O-N 3.13Å; A207-D211 HydrophobicContact CB-CB 4.12Å; A207-N212 WeakPolarHBondContact CB-OD1 3.4Å
208	S	92.1	Very high	89.6	Confident	50 Å²	50	56.9 Å²	56.9	35%	0.35	31%	0.313	S	S	.	.			trans	-73.3	167.5	170.5	76	0	0	0	0	111.5	V210 D211 N212	S208-V210 PolarHBondContact O-N 2.67Å; S208-V210 PolarHBondContact OG-N 3.32Å; S208-D211 VanDerWaalsContact CB-OD2 3.29Å; S208-D211 WeakPolarHBondContact CB-OD2 3.44Å; S208-D211 PolarHBondContact N-OD2 2.72Å; S208-D211 PolarHBondContact O-N 3.15Å; S208-D211 PolarHBondContact OG-N 3.18Å; S208-D211 VanDerWaalsContact OG-N 3.11Å; S208-D211 PolarHBondContact OG-OD2 3.1Å; S208-N212 PolarHBondContact O-N 2.8Å
209	V	92.1	Very high	89.7	Confident	25 Å²	25	54.8 Å²	54.8	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-55.5	-41.5	172.3	-179.3	0	0	0	0	110.9	I182 N212 I213 F242 Y290	I182-V209 HydrophobicContact CG2-CG1 3.96Å; V209-N212 PolarHBondContact O-N 3.41Å; V209-I213 HydrophobicContact CG1-CD1 3.98Å; V209-I213 VanDerWaalsContact O-CG1 3.29Å; V209-I213 WeakPolarHBondContact O-CG1 3.36Å; V209-I213 PolarHBondContact O-N 3.47Å; V209-F242 HydrophobicContact CB-CD2 4.37Å; V209-F242 HydrophobicContact CB-CE2 3.94Å; V209-F242 HydrophobicContact CG1-CD2 3.77Å; V209-F242 HydrophobicContact CG1-CE2 3.83Å; V209-Y290 HydrophobicContact CG1-CD1 3.89Å; V209-Y290 HydrophobicContact CG1-CE1 3.62Å
210	V	92.7	Very high	89.7	Confident	33 Å²	33	57.3 Å²	57.3	20%	0.2	31%	0.312	C	S	.	.	H	α-helix	trans	-68.2	-37.9	179.3	178.1	0	0	0	0	111.8	S208 I213 R214 L225 F242	S208-V210 PolarHBondContact O-N 2.67Å; S208-V210 PolarHBondContact OG-N 3.32Å; V210-I213 PolarHBondContact O-N 3.01Å; V210-R214 WeakPolarHBondContact O-CB 3.49Å; V210-R214 PolarHBondContact O-N 2.84Å; V210-L225 HydrophobicContact CG1-CD1 4.32Å; V210-L225 HydrophobicContact CG2-CD1 4.4Å; V210-F242 HydrophobicContact CG2-CD1 4.14Å; V210-F242 HydrophobicContact CG2-CD2 4.42Å; V210-F242 HydrophobicContact CG2-CE1 3.69Å; V210-F242 HydrophobicContact CG2-CE2 4.03Å; V210-F242 HydrophobicContact CG2-CG 4.49Å; V210-F242 HydrophobicContact CG2-CZ 3.65Å
211	D	91.8	Very high	89.8	Confident	62 Å²	62	53.5 Å²	53.5	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-69.9	-36.1	175.9	-57.8	-53.6	0	0	0	111.6	A207 S208 R214 S215	A207-D211 HydrophobicContact CB-CB 4.12Å; S208-D211 VanDerWaalsContact CB-OD2 3.29Å; S208-D211 WeakPolarHBondContact CB-OD2 3.44Å; S208-D211 PolarHBondContact N-OD2 2.72Å; S208-D211 PolarHBondContact O-N 3.15Å; S208-D211 PolarHBondContact OG-N 3.18Å; S208-D211 VanDerWaalsContact OG-N 3.11Å; S208-D211 PolarHBondContact OG-OD2 3.1Å; D211-R214 WeakPolarHBondContact O-CB 3.37Å; D211-R214 PolarHBondContact O-N 3.07Å; D211-R214 IonicContact OD1-CZ 2.77Å; D211-R214 IonicContact OD1-NH1 3.83Å; D211-R214 PolarHBondContact OD1-NH1 3.13Å; D211-R214 IonicContact OD1-NH2 3.21Å; D211-S215 WeakPolarHBondContact O-CB 3.26Å; D211-S215 PolarHBondContact O-N 2.71Å
212	N	92.6	Very high	89.8	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.011	29%	0.292	C	S	.	.	H	α-helix	trans	-66.8	-42.3	172.8	-73.7	-10.9	0	0	0	111.3	A181 I182 T203 A207 S208 V209 R214 S215 V216	A181-N212 PolarHBondContact O-ND2 3.38Å; I182-N212 HydrophobicContact CG1-CB 4.11Å; T203-N212 VanDerWaalsContact CB-OD1 3.32Å; T203-N212 WeakPolarHBondContact CB-OD1 3.25Å; T203-N212 HydrophobicContact CG2-CB 4.17Å; T203-N212 VanDerWaalsContact CG2-OD1 3.29Å; T203-N212 WeakPolarHBondContact CG2-OD1 3.39Å; A207-N212 WeakPolarHBondContact CB-OD1 3.4Å; S208-N212 PolarHBondContact O-N 2.8Å; V209-N212 PolarHBondContact O-N 3.41Å; N212-R214 VanDerWaalsContact C-N 3.33Å; N212-R214 PolarHBondContact O-N 3.4Å; N212-S215 PolarHBondContact O-N 3.46Å; N212-V216 WeakPolarHBondContact O-CB 3.48Å; N212-V216 VanDerWaalsContact O-CG2 3.29Å; N212-V216 WeakPolarHBondContact O-CG2 3.42Å; N212-V216 PolarHBondContact O-N 3.49Å
213	I	92.8	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-44.3	171.8	-67	162.7	0	0	0	110.3	I182 V209 V210 S215 V216 F217 G218 V221 L225 F242 F288	I182-I213 HydrophobicContact CD1-CG1 3.95Å; I182-I213 HydrophobicContact CG1-CG1 4.02Å; I182-I213 HydrophobicContact CG2-CD1 4.16Å; I182-I213 HydrophobicContact CG2-CG1 3.71Å; V209-I213 HydrophobicContact CG1-CD1 3.98Å; V209-I213 VanDerWaalsContact O-CG1 3.29Å; V209-I213 WeakPolarHBondContact O-CG1 3.36Å; V209-I213 PolarHBondContact O-N 3.47Å; V210-I213 PolarHBondContact O-N 3.01Å; I213-S215 VanDerWaalsContact C-N 3.32Å; I213-S215 PolarHBondContact O-N 2.72Å; I213-V216 PolarHBondContact O-N 3.39Å; I213-F217 HydrophobicContact CG2-CD2 4.46Å; I213-F217 PolarHBondContact O-N 2.75Å; I213-G218 PolarHBondContact O-N 2.77Å; I213-V221 HydrophobicContact CG2-CB 4.42Å; I213-V221 HydrophobicContact CG2-CG1 3.69Å; I213-L225 HydrophobicContact CB-CD1 4.42Å; I213-L225 HydrophobicContact CD1-CD1 3.85Å; I213-L225 HydrophobicContact CG2-CD1 4.07Å; I213-F242 HydrophobicContact CD1-CB 4.3Å; I213-F242 HydrophobicContact CD1-CD2 4.43Å; I213-F288 HydrophobicContact CD1-CE1 4.14Å; I213-F288 HydrophobicContact CD1-CZ 4.42Å; I213-F288 HydrophobicContact CG1-CE1 4.43Å; I213-F288 HydrophobicContact CG1-CZ 4.27Å; I213-F288 HydrophobicContact CG2-CE1 4.02Å; I213-F288 HydrophobicContact CG2-CZ 4.02Å
214	R	92.2	Very high	89.4	Confident	99 Å²	99	55.1 Å²	55.1	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-39.6	175.9	-169.5	177.6	-52.6	116.1	6.8	112.8	V210 D211 N212 G218 S222	V210-R214 WeakPolarHBondContact O-CB 3.49Å; V210-R214 PolarHBondContact O-N 2.84Å; D211-R214 WeakPolarHBondContact O-CB 3.37Å; D211-R214 PolarHBondContact O-N 3.07Å; D211-R214 IonicContact OD1-CZ 2.77Å; D211-R214 IonicContact OD1-NH1 3.83Å; D211-R214 PolarHBondContact OD1-NH1 3.13Å; D211-R214 IonicContact OD1-NH2 3.21Å; N212-R214 VanDerWaalsContact C-N 3.33Å; N212-R214 PolarHBondContact O-N 3.4Å; R214-G218 CarbonylContact O-C 3.39Å; R214-G218 WeakPolarHBondContact O-CA 3.35Å; R214-G218 PolarHBondContact O-N 3.47Å; R214-G218 VanDerWaalsContact O-N 3.15Å; R214-S222 WeakPolarHBondContact CG-OG 3.35Å; R214-S222 PolarHBondContact NE-OG 2.92Å; R214-S222 VanDerWaalsContact NE-OG 3.1Å
215	S	89.4	Confident	89.6	Confident	68 Å²	68	51.7 Å²	51.7	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-77.6	-18.9	-179.2	-169.7	0	0	0	0	114	R202 D211 N212 I213	R202-S215 PolarHBondContact O-OG 3.37Å; D211-S215 WeakPolarHBondContact O-CB 3.26Å; D211-S215 PolarHBondContact O-N 2.71Å; N212-S215 PolarHBondContact O-N 3.46Å; I213-S215 VanDerWaalsContact C-N 3.32Å; I213-S215 PolarHBondContact O-N 2.72Å
216	V	89.9	Confident	89.9	Confident	32 Å²	32	49.3 Å²	49.3	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-102.8	-54.9	-177.4	166.2	0	0	0	0	111.5	I182 V201 N212 I213	I182-V216 HydrophobicContact CD1-CB 4.18Å; I182-V216 HydrophobicContact CD1-CG1 4.06Å; I182-V216 HydrophobicContact CD1-CG2 4.41Å; I182-V216 HydrophobicContact CG1-CG2 4.44Å; V201-V216 HydrophobicContact CG1-CG2 4.25Å; N212-V216 WeakPolarHBondContact O-CB 3.48Å; N212-V216 VanDerWaalsContact O-CG2 3.29Å; N212-V216 WeakPolarHBondContact O-CG2 3.42Å; N212-V216 PolarHBondContact O-N 3.49Å; I213-V216 PolarHBondContact O-N 3.39Å
217	F	89.3	Confident	90.3	Very high	52 Å²	52	48.1 Å²	48.1	23%	0.228	25%	0.254	C	S	.	.	H	α-helix	trans	-102.4	2.4	-175.3	-64	-67.4	0	0	0	113	I182 I213 V221 I254 V256 F288	I182-F217 HydrophobicContact CD1-CD2 3.7Å; I182-F217 HydrophobicContact CD1-CE2 3.38Å; I213-F217 HydrophobicContact CG2-CD2 4.46Å; I213-F217 PolarHBondContact O-N 2.75Å; F217-V221 HydrophobicContact CB-CB 4.27Å; F217-V221 HydrophobicContact CB-CG1 4.47Å; F217-V221 HydrophobicContact CB-CG2 3.98Å; F217-I254 HydrophobicContact CD1-CD1 4.05Å; F217-I254 HydrophobicContact CE1-CD1 3.75Å; F217-I254 HydrophobicContact CE1-CG2 4.12Å; F217-I254 HydrophobicContact CZ-CG2 3.94Å; F217-V256 HydrophobicContact CE2-CG2 4.36Å; F217-V256 HydrophobicContact CZ-CG2 4.47Å; F217-F288 HydrophobicContact CD1-CE2 4.45Å; F217-F288 HydrophobicContact CD2-CD2 4.36Å; F217-F288 AromaticContact CD2-CE2 3.37Å; F217-F288 HydrophobicContact CD2-CE2 3.37Å; F217-F288 AromaticContact CD2-CZ 3.77Å; F217-F288 HydrophobicContact CD2-CZ 3.77Å; F217-F288 AromaticContact CE2-CE2 3.5Å; F217-F288 HydrophobicContact CE2-CE2 3.5Å; F217-F288 AromaticContact CE2-CZ 3.98Å; F217-F288 HydrophobicContact CE2-CZ 3.98Å; F217-F288 HydrophobicContact CG-CD2 4.49Å; F217-F288 AromaticContact CG-CE2 3.88Å; F217-F288 HydrophobicContact CG-CE2 3.88Å; F217-F288 HydrophobicContact CZ-CE2 4.13Å
218	G	88.4	Confident	90.5	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	25%	0.25	S	C	.	.	H	α-helix	trans	88.8	168.6	171.4	0	0	0	0	0	115.2	I213 R214 P220 S222	I213-G218 PolarHBondContact O-N 2.77Å; R214-G218 CarbonylContact O-C 3.39Å; R214-G218 WeakPolarHBondContact O-CA 3.35Å; R214-G218 PolarHBondContact O-N 3.47Å; R214-G218 VanDerWaalsContact O-N 3.15Å; G218-P220 VanDerWaalsContact C-CD 3.48Å; G218-S222 PolarHBondContact O-N 3.3Å
219	N	87.9	Confident	90.4	Very high	69 Å²	69	47 Å²	47	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-57.1	-41	178.3	171.8	75	0	0	0	114.7	V221 S222 R223	N219-V221 PolarHBondContact O-N 2.9Å; N219-S222 PolarHBondContact O-N 3.45Å; N219-S222 VanDerWaalsContact O-N 3.15Å; N219-S222 PolarHBondContact O-OG 3.21Å; N219-R223 PolarHBondContact ND2-NE 3.45Å; N219-R223 VanDerWaalsContact ND2-NE 3.15Å; N219-R223 PolarHBondContact O-N 2.97Å; N219-R223 PolarHBondContact OD1-NE 3.36Å
220	P	86.1	Confident	90.2	Very high	80 Å²	80	46.8 Å²	46.8	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-57.3	-45.8	-179.3	-26.8	36.3	0	0	0	113.7	G218 Y248	G218-P220 VanDerWaalsContact C-CD 3.48Å; P220-Y248 HydrophobicContact CB-CE2 4.11Å
221	V	89.2	Confident	90	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-48.9	175.1	178.1	0	0	0	0	110.2	I213 F217 N219 R223 E224 L225 Y248 F288	I213-V221 HydrophobicContact CG2-CB 4.42Å; I213-V221 HydrophobicContact CG2-CG1 3.69Å; F217-V221 HydrophobicContact CB-CB 4.27Å; F217-V221 HydrophobicContact CB-CG1 4.47Å; F217-V221 HydrophobicContact CB-CG2 3.98Å; N219-V221 PolarHBondContact O-N 2.9Å; V221-R223 PolarHBondContact O-N 3.29Å; V221-R223 VanDerWaalsContact O-N 3.11Å; V221-E224 PolarHBondContact O-N 2.95Å; V221-L225 HydrophobicContact CG1-CD2 4Å; V221-L225 WeakPolarHBondContact O-CG 3.4Å; V221-Y248 HydrophobicContact CG2-CE1 4.06Å; V221-Y248 HydrophobicContact CG2-CE2 4.13Å; V221-Y248 VanDerWaalsContact CG2-OH 3.27Å; V221-Y248 WeakPolarHBondContact CG2-OH 3.3Å; V221-F288 HydrophobicContact CG1-CB 4.1Å; V221-F288 HydrophobicContact CG1-CD1 3.54Å; V221-F288 HydrophobicContact CG1-CD2 4.06Å; V221-F288 HydrophobicContact CG1-CE1 3.97Å; V221-F288 HydrophobicContact CG1-CE2 4.45Å; V221-F288 HydrophobicContact CG1-CG 3.59Å; V221-F288 HydrophobicContact CG1-CZ 4.41Å
222	S	89.8	Confident	89.7	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-16	-171	76.6	0	0	0	0	116.1	R214 G218 N219	R214-S222 WeakPolarHBondContact CG-OG 3.35Å; R214-S222 PolarHBondContact NE-OG 2.92Å; R214-S222 VanDerWaalsContact NE-OG 3.1Å; G218-S222 PolarHBondContact O-N 3.3Å; N219-S222 PolarHBondContact O-N 3.45Å; N219-S222 VanDerWaalsContact O-N 3.15Å; N219-S222 PolarHBondContact O-OG 3.21Å
223	R	86.6	Confident	89.1	Confident	165 Å²	165	60.5 Å²	60.5	62%	0.623	31%	0.312	S	S	*	.	H	α-helix	trans	-85.1	-33.6	177.4	-72.2	-178	178.7	-160.4	-3	112.6	N219 V221	N219-R223 PolarHBondContact ND2-NE 3.45Å; N219-R223 VanDerWaalsContact ND2-NE 3.15Å; N219-R223 PolarHBondContact O-N 2.97Å; N219-R223 PolarHBondContact OD1-NE 3.36Å; V221-R223 PolarHBondContact O-N 3.29Å; V221-R223 VanDerWaalsContact O-N 3.11Å
224	E	88.6	Confident	88.5	Confident	43 Å²	43	69.9 Å²	69.9	20%	0.201	35%	0.353	C	S	.	.	S	Bend	trans	-98.7	20.3	-171.1	-54.1	-52.7	127.3	0	0	112.3	V221 S244 N245 N247 Y248	V221-E224 PolarHBondContact O-N 2.95Å; E224-S244 CarbonylContact O-C 3.57Å; E224-S244 WeakPolarHBondContact O-CA 3.36Å; E224-N245 PolarHBondContact O-N 3.46Å; E224-N245 PolarHBondContact OE2-ND2 3.07Å; E224-N245 PolarHBondContact OE2-OD1 2.95Å; E224-N247 PolarHBondContact OE2-ND2 2.83Å; E224-Y248 HydrophobicContact CB-CD2 4.49Å; E224-Y248 HydrophobicContact CB-CG 4.29Å; E224-Y248 HydrophobicContact CG-CD2 4.35Å
225	L	92.1	Very high	87.8	Confident	31 Å²	31	66.8 Å²	66.8	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133	179.4	-64.2	-179.3	0	0	0	112.6	V210 I213 V221 F242 V243 F288	V210-L225 HydrophobicContact CG1-CD1 4.32Å; V210-L225 HydrophobicContact CG2-CD1 4.4Å; I213-L225 HydrophobicContact CB-CD1 4.42Å; I213-L225 HydrophobicContact CD1-CD1 3.85Å; I213-L225 HydrophobicContact CG2-CD1 4.07Å; V221-L225 HydrophobicContact CG1-CD2 4Å; V221-L225 WeakPolarHBondContact O-CG 3.4Å; L225-F242 HydrophobicContact CB-CB 4.36Å; L225-F242 HydrophobicContact CB-CD1 4.25Å; L225-F242 HydrophobicContact CD1-CB 4.08Å; L225-F242 HydrophobicContact CD1-CD1 4.46Å; L225-F242 HydrophobicContact CD1-CG 4.35Å; L225-F242 HydrophobicContact CD2-CB 4.24Å; L225-F242 HydrophobicContact CG-CB 4.45Å; L225-V243 CarbonylContact C-O 3.59Å; L225-V243 WeakPolarHBondContact CA-O 3.36Å; L225-F288 HydrophobicContact CD2-CD1 3.81Å; L225-F288 HydrophobicContact CD2-CE1 4.09Å
226	I	91.6	Very high	87.6	Confident	17 Å²	17	65.6 Å²	65.6	9%	0.087	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.6	167.6	-55.4	166	0	0	0	108.3	V228 F242 V243 N245 K330 L331 S334	I226-V228 PolarHBondContact O-N 2.88Å; I226-F242 WeakPolarHBondContact O-CA 3.42Å; I226-V243 HydrophobicContact CB-CG2 4.2Å; I226-V243 PolarHBondContact N-O 2.89Å; I226-V243 PolarHBondContact O-N 2.85Å; I226-N245 HydrophobicContact CD1-CB 3.65Å; I226-N245 HydrophobicContact CG1-CB 3.98Å; I226-K330 HydrophobicContact CG2-CB 4.27Å; I226-K330 HydrophobicContact CG2-CD 4.07Å; I226-L331 HydrophobicContact CD1-CD2 4.1Å; I226-S334 WeakPolarHBondContact CD1-OG 3.12Å
227	E	93.2	Very high	87.5	Confident	132 Å²	132	64.2 Å²	64.2	62%	0.617	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	123.9	171.9	-171.6	175.8	-162.3	0	0	111.1	F242 K330	E227-F242 HydrophobicContact CB-CD1 4.12Å; E227-F242 HydrophobicContact CB-CE1 3.75Å; E227-F242 HydrophobicContact CG-CD1 4.49Å; E227-F242 HydrophobicContact CG-CE1 3.92Å; E227-F242 HydrophobicContact CG-CZ 4.22Å; E227-K330 WeakPolarHBondContact O-CE 3.34Å; E227-K330 PolarHBondContact O-NZ 3.01Å
228	V	91.6	Very high	87.6	Confident	1 Å²	1	63 Å²	63	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.5	175.2	-65.9	0	0	0	0	110	I226 L239 K240 G241 V243 L291 I327 K330	I226-V228 PolarHBondContact O-N 2.88Å; V228-L239 HydrophobicContact CG2-CD2 4.37Å; V228-K240 CarbonylContact O-C 3.51Å; V228-K240 WeakPolarHBondContact O-CA 3.49Å; V228-G241 PolarHBondContact N-O 3.02Å; V228-G241 PolarHBondContact O-N 3.38Å; V228-V243 HydrophobicContact CG1-CG1 4.1Å; V228-V243 HydrophobicContact CG1-CG2 3.66Å; V228-V243 HydrophobicContact CG2-CG1 3.87Å; V228-L291 HydrophobicContact CG2-CD2 3.84Å; V228-I327 HydrophobicContact CG1-CG1 4.44Å; V228-K330 HydrophobicContact CG1-CB 4.39Å; V228-K330 HydrophobicContact CG1-CG 4.22Å
229	G	90.8	Very high	87.8	Confident	38 Å²	38	61.9 Å²	61.9	39%	0.392	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	118.1	-177.8	0	0	0	0	0	109.7	L239 H326	G229-L239 WeakPolarHBondContact CA-O 3.47Å; G229-H326 PolarHBondContact O-NE2 3.03Å
230	C	88.1	Confident	88.1	Confident	21 Å²	21	63.3 Å²	63.3	14%	0.142	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156.9	174.2	72.4	0	0	0	0	110.7	T238 L239	C230-T238 CarbonylContact O-C 3.58Å; C230-T238 WeakPolarHBondContact O-CA 3.41Å; C230-L239 PolarHBondContact N-O 2.75Å; C230-L239 VanDerWaalsContact N-O 3.16Å; C230-L239 PolarHBondContact O-N 3.36Å
231	Q	88.8	Confident	88.5	Confident	155 Å²	155	59.7 Å²	59.7	72%	0.724	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	125.4	179	-176	175.9	27.1	0	0	108	T238	Q231-T238 HydrophobicContact CB-CG2 4.34Å; Q231-T238 HydrophobicContact CG-CG2 4.48Å
232	D	84.4	Confident	88.7	Confident	42 Å²	42	61.3 Å²	61.3	23%	0.225	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.8	172.8	-170.7	-11.2	0	0	0	109.8	K234 L235 A236 Y237	D232-K234 VanDerWaalsContact C-N 3.31Å; D232-K234 WeakPolarHBondContact OD1-CB 3.4Å; D232-K234 PolarHBondContact OD1-N 3.01Å; D232-L235 HydrophobicContact CB-CB 4.26Å; D232-A236 WeakPolarHBondContact O-CA 3.4Å; D232-A236 PolarHBondContact O-N 3.14Å; D232-Y237 HydrophobicContact CB-CD1 4.08Å; D232-Y237 HydrophobicContact CB-CE1 3.65Å; D232-Y237 PolarHBondContact N-O 3.32Å; D232-Y237 PolarHBondContact O-N 3.32Å
233	Q	80.7	Confident	88.9	Confident	188 Å²	188	60.8 Å²	60.8	88%	0.879	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.5	179.3	-161.8	174.4	16.9	0	0	113
234	K	80.3	Confident	89.2	Confident	197 Å²	197	53 Å²	53	86%	0.857	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-46.6	175.4	-60.4	175.6	-178.7	174.1	0	111.7	D232 A236	D232-K234 VanDerWaalsContact C-N 3.31Å; D232-K234 WeakPolarHBondContact OD1-CB 3.4Å; D232-K234 PolarHBondContact OD1-N 3.01Å; K234-A236 VanDerWaalsContact C-N 3.29Å
235	L	77.1	Confident	89.2	Confident	34 Å²	34	52 Å²	52	18%	0.178	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-4.4	177.2	-66.4	175.3	0	0	0	112.9	D232 Y237 H315 V319	D232-L235 HydrophobicContact CB-CB 4.26Å; L235-Y237 HydrophobicContact CB-CD1 3.69Å; L235-Y237 HydrophobicContact CB-CE1 3.96Å; L235-Y237 HydrophobicContact CD1-CE1 4.1Å; L235-Y237 PolarHBondContact O-N 2.79Å; L235-H315 HydrophobicContact CD2-CB 3.96Å; L235-V319 HydrophobicContact CB-CG2 4.37Å; L235-V319 HydrophobicContact CD1-CG2 4.12Å
236	A	85	Confident	88.8	Confident	44 Å²	44	51.9 Å²	51.9	36%	0.364	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	43.3	175.4	0	0	0	0	0	114.2	D232 K234 A296	D232-A236 WeakPolarHBondContact O-CA 3.4Å; D232-A236 PolarHBondContact O-N 3.14Å; K234-A236 VanDerWaalsContact C-N 3.29Å; A236-A296 HydrophobicContact CB-CB 4.47Å; A236-A296 PolarHBondContact O-N 3.07Å
237	Y	88.3	Confident	88.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.7	175.2	84.6	-81.9	0	0	0	113.4	D232 L235 L239 E294 V319 S322 V323	D232-Y237 HydrophobicContact CB-CD1 4.08Å; D232-Y237 HydrophobicContact CB-CE1 3.65Å; D232-Y237 PolarHBondContact N-O 3.32Å; D232-Y237 PolarHBondContact O-N 3.32Å; L235-Y237 HydrophobicContact CB-CD1 3.69Å; L235-Y237 HydrophobicContact CB-CE1 3.96Å; L235-Y237 HydrophobicContact CD1-CE1 4.1Å; L235-Y237 PolarHBondContact O-N 2.79Å; Y237-L239 HydrophobicContact CE2-CB 4.2Å; Y237-E294 CarbonylContact C-O 3.4Å; Y237-E294 VanDerWaalsContact CA-O 3.27Å; Y237-E294 WeakPolarHBondContact CA-O 3.45Å; Y237-V319 HydrophobicContact CD1-CG1 4.25Å; Y237-V319 HydrophobicContact CD1-CG2 4.05Å; Y237-V319 HydrophobicContact CD2-CG1 4.27Å; Y237-V319 HydrophobicContact CE1-CG1 4.17Å; Y237-V319 HydrophobicContact CE1-CG2 4.22Å; Y237-V319 HydrophobicContact CE2-CG1 4.2Å; Y237-V319 HydrophobicContact CG-CG1 4.31Å; Y237-S322 VanDerWaalsContact OH-CB 3.27Å; Y237-S322 WeakPolarHBondContact OH-CB 3.46Å; Y237-S322 PolarHBondContact OH-OG 2.86Å; Y237-V323 HydrophobicContact CE2-CG2 4.23Å
238	T	91.8	Very high	88	Confident	28 Å²	28	51.3 Å²	51.3	17%	0.172	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.8	170.3	-51.2	0	0	0	0	109.3	C230 Q231 K240 E294	C230-T238 CarbonylContact O-C 3.58Å; C230-T238 WeakPolarHBondContact O-CA 3.41Å; Q231-T238 HydrophobicContact CB-CG2 4.34Å; Q231-T238 HydrophobicContact CG-CG2 4.48Å; T238-K240 HydrophobicContact CG2-CG 4.4Å; T238-E294 PolarHBondContact N-O 3.42Å; T238-E294 PolarHBondContact O-N 2.87Å
239	L	92.8	Very high	87.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.7	169	175.9	68.4	0	0	0	109.7	V228 G229 C230 Y237 L291 L293 V323	V228-L239 HydrophobicContact CG2-CD2 4.37Å; G229-L239 WeakPolarHBondContact CA-O 3.47Å; C230-L239 PolarHBondContact N-O 2.75Å; C230-L239 VanDerWaalsContact N-O 3.16Å; C230-L239 PolarHBondContact O-N 3.36Å; Y237-L239 HydrophobicContact CE2-CB 4.2Å; L239-L291 HydrophobicContact CD1-CB 4.11Å; L239-L291 HydrophobicContact CD1-CD2 4.1Å; L239-L293 HydrophobicContact CD1-CD1 3.61Å; L239-L293 HydrophobicContact CD1-CG 4.14Å; L239-V323 HydrophobicContact CD2-CG1 4.26Å; L239-V323 HydrophobicContact CD2-CG2 4.3Å
240	K	94.2	Very high	87.4	Confident	99 Å²	99	54.3 Å²	54.3	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.3	164.7	-59.1	167.5	-161.5	154.5	0	108.3	V228 T238 S292 E294	V228-K240 CarbonylContact O-C 3.51Å; V228-K240 WeakPolarHBondContact O-CA 3.49Å; T238-K240 HydrophobicContact CG2-CG 4.4Å; K240-S292 PolarHBondContact N-O 3.15Å; K240-S292 WeakPolarHBondContact O-CA 3.27Å; K240-S292 WeakPolarHBondContact O-CB 3.38Å; K240-S292 PolarHBondContact O-N 2.83Å; K240-E294 IonicContact NZ-OE1 2.88Å; K240-E294 PolarHBondContact NZ-OE1 2.84Å; K240-E294 IonicContact NZ-OE2 2.83Å; K240-E294 PolarHBondContact NZ-OE2 2.73Å
241	G	93.4	Very high	87.2	Confident	5 Å²	5	60.9 Å²	60.9	5%	0.052	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-179.5	-176.8	0	0	0	0	0	115.1	V228 Y290	V228-G241 PolarHBondContact N-O 3.02Å; V228-G241 PolarHBondContact O-N 3.38Å; G241-Y290 CarbonylContact C-O 3.6Å; G241-Y290 WeakPolarHBondContact CA-O 3.32Å
242	F	94.6	Very high	87.1	Confident	34 Å²	34	63.2 Å²	63.2	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.4	174.8	-67.8	-82	0	0	0	109.3	V209 V210 I213 L225 I226 E227 Y290	V209-F242 HydrophobicContact CB-CD2 4.37Å; V209-F242 HydrophobicContact CB-CE2 3.94Å; V209-F242 HydrophobicContact CG1-CD2 3.77Å; V209-F242 HydrophobicContact CG1-CE2 3.83Å; V210-F242 HydrophobicContact CG2-CD1 4.14Å; V210-F242 HydrophobicContact CG2-CD2 4.42Å; V210-F242 HydrophobicContact CG2-CE1 3.69Å; V210-F242 HydrophobicContact CG2-CE2 4.03Å; V210-F242 HydrophobicContact CG2-CG 4.49Å; V210-F242 HydrophobicContact CG2-CZ 3.65Å; I213-F242 HydrophobicContact CD1-CB 4.3Å; I213-F242 HydrophobicContact CD1-CD2 4.43Å; L225-F242 HydrophobicContact CB-CB 4.36Å; L225-F242 HydrophobicContact CB-CD1 4.25Å; L225-F242 HydrophobicContact CD1-CB 4.08Å; L225-F242 HydrophobicContact CD1-CD1 4.46Å; L225-F242 HydrophobicContact CD1-CG 4.35Å; L225-F242 HydrophobicContact CD2-CB 4.24Å; L225-F242 HydrophobicContact CG-CB 4.45Å; I226-F242 WeakPolarHBondContact O-CA 3.42Å; E227-F242 HydrophobicContact CB-CD1 4.12Å; E227-F242 HydrophobicContact CB-CE1 3.75Å; E227-F242 HydrophobicContact CG-CD1 4.49Å; E227-F242 HydrophobicContact CG-CE1 3.92Å; E227-F242 HydrophobicContact CG-CZ 4.22Å; F242-Y290 HydrophobicContact CD2-CD1 4.08Å; F242-Y290 HydrophobicContact CD2-CE1 4.48Å; F242-Y290 PolarHBondContact N-O 3.4Å; F242-Y290 PolarHBondContact O-N 3.24Å
243	V	93.8	Very high	87.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.8	178.7	-56.5	0	0	0	0	109.7	L225 I226 V228 Y277 L289 L291 I327	L225-V243 CarbonylContact C-O 3.59Å; L225-V243 WeakPolarHBondContact CA-O 3.36Å; I226-V243 HydrophobicContact CB-CG2 4.2Å; I226-V243 PolarHBondContact N-O 2.89Å; I226-V243 PolarHBondContact O-N 2.85Å; V228-V243 HydrophobicContact CG1-CG1 4.1Å; V228-V243 HydrophobicContact CG1-CG2 3.66Å; V228-V243 HydrophobicContact CG2-CG1 3.87Å; V243-Y277 WeakPolarHBondContact CB-OH 3.48Å; V243-Y277 WeakPolarHBondContact CG2-OH 3.35Å; V243-L289 HydrophobicContact CB-CD2 3.81Å; V243-L289 HydrophobicContact CG1-CD2 3.68Å; V243-L291 HydrophobicContact CG1-CD2 3.88Å; V243-I327 HydrophobicContact CG1-CD1 4.47Å
244	S	92.4	Very high	87.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	145	175.8	61.6	0	0	0	0	111.7	E224 Y277 P287 F288	E224-S244 CarbonylContact O-C 3.57Å; E224-S244 WeakPolarHBondContact O-CA 3.36Å; S244-Y277 VanDerWaalsContact O-CE1 3.26Å; S244-Y277 WeakPolarHBondContact O-CE1 3.21Å; S244-Y277 PolarHBondContact O-OH 3.18Å; S244-P287 WeakPolarHBondContact OG-CA 3.36Å; S244-P287 WeakPolarHBondContact OG-CB 3.49Å; S244-F288 PolarHBondContact N-O 2.95Å; S244-F288 PolarHBondContact OG-N 3.14Å; S244-F288 PolarHBondContact OG-O 2.85Å
245	N	88.4	Confident	88.4	Confident	24 Å²	24	47.2 Å²	47.2	13%	0.128	24%	0.236	C	C	.	.			trans	-71.7	-179.7	170.2	70.8	26.6	0	0	0	111.7	E224 I226 N247 Y248	E224-N245 PolarHBondContact O-N 3.46Å; E224-N245 PolarHBondContact OE2-ND2 3.07Å; E224-N245 PolarHBondContact OE2-OD1 2.95Å; I226-N245 HydrophobicContact CD1-CB 3.65Å; I226-N245 HydrophobicContact CG1-CB 3.98Å; N245-N247 VanDerWaalsContact C-N 3.29Å; N245-N247 PolarHBondContact ND2-ND2 2.68Å; N245-N247 PolarHBondContact O-N 3.41Å; N245-N247 WeakPolarHBondContact OD1-CA 3.45Å; N245-N247 VanDerWaalsContact OD1-CB 3.25Å; N245-N247 WeakPolarHBondContact OD1-CB 3.28Å; N245-N247 PolarHBondContact OD1-N 3.46Å; N245-Y248 PolarHBondContact O-N 2.82Å; N245-Y248 PolarHBondContact OD1-N 2.84Å
246	A	84.5	Confident	89.2	Confident	27 Å²	27	45.6 Å²	45.6	22%	0.223	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.9	179.5	0	0	0	0	0	114.9	Y248	A246-Y248 VanDerWaalsContact C-N 3.34Å
247	N	81.3	Confident	89.6	Confident	102 Å²	102	43.6 Å²	43.6	55%	0.545	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.8	175	-51.7	-36.8	0	0	0	111.8	E224 N245	E224-N247 PolarHBondContact OE2-ND2 2.83Å; N245-N247 VanDerWaalsContact C-N 3.29Å; N245-N247 PolarHBondContact ND2-ND2 2.68Å; N245-N247 PolarHBondContact O-N 3.41Å; N245-N247 WeakPolarHBondContact OD1-CA 3.45Å; N245-N247 VanDerWaalsContact OD1-CB 3.25Å; N245-N247 WeakPolarHBondContact OD1-CB 3.28Å; N245-N247 PolarHBondContact OD1-N 3.46Å
248	Y	84.8	Confident	89.8	Confident	35 Å²	35	43.5 Å²	43.5	14%	0.137	21%	0.211	C	C	.	.			trans	-104.3	131.9	-174	-175.4	-88.8	0	0	0	112.2	P220 V221 E224 N245 A246 M250 F288	P220-Y248 HydrophobicContact CB-CE2 4.11Å; V221-Y248 HydrophobicContact CG2-CE1 4.06Å; V221-Y248 HydrophobicContact CG2-CE2 4.13Å; V221-Y248 VanDerWaalsContact CG2-OH 3.27Å; V221-Y248 WeakPolarHBondContact CG2-OH 3.3Å; E224-Y248 HydrophobicContact CB-CD2 4.49Å; E224-Y248 HydrophobicContact CB-CG 4.29Å; E224-Y248 HydrophobicContact CG-CD2 4.35Å; N245-Y248 PolarHBondContact O-N 2.82Å; N245-Y248 PolarHBondContact OD1-N 2.84Å; A246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-M250 HydrophobicContact CE1-CE 3.83Å; Y248-M250 HydrophobicContact CE1-CG 3.88Å; Y248-M250 WeakPolarHBondContact OH-CE 3.49Å; Y248-M250 VanDerWaalsContact OH-CG 3.22Å; Y248-M250 WeakPolarHBondContact OH-CG 3.47Å; Y248-M250 PolarHBondContact OH-SD 2.79Å; Y248-M250 VanDerWaalsContact OH-SD 3.37Å; Y248-F288 HydrophobicContact CE1-CB 4.29Å
249	S	85.3	Confident	89.7	Confident	53 Å²	53	42.4 Å²	42.4	37%	0.371	20%	0.204	S	C	.	.			trans	-147	154.8	178.2	64.5	0	0	0	0	112.6
250	M	85.3	Confident	89.5	Confident	50 Å²	50	44.1 Å²	44.1	25%	0.246	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-134.7	155.3	174.4	-79.7	-165.2	-86.5	0	0	111.9	Y248 R252 I254 H286 F288	Y248-M250 HydrophobicContact CE1-CE 3.83Å; Y248-M250 HydrophobicContact CE1-CG 3.88Å; Y248-M250 WeakPolarHBondContact OH-CE 3.49Å; Y248-M250 VanDerWaalsContact OH-CG 3.22Å; Y248-M250 WeakPolarHBondContact OH-CG 3.47Å; Y248-M250 PolarHBondContact OH-SD 2.79Å; Y248-M250 VanDerWaalsContact OH-SD 3.37Å; M250-R252 PolarHBondContact O-N 2.95Å; M250-I254 HydrophobicContact CE-CD1 3.79Å; M250-I254 HydrophobicContact CE-CG1 3.99Å; M250-I254 HydrophobicContact SD-CD1 4.28Å; M250-H286 PolarHBondContact N-O 3.36Å; M250-H286 PolarHBondContact O-N 3.26Å; M250-F288 HydrophobicContact CE-CB 4.09Å; M250-F288 HydrophobicContact CE-CD2 4.4Å
251	K	85	Confident	89.1	Confident	158 Å²	158	43.2 Å²	43.2	69%	0.687	21%	0.21	S	C	*	.	S	Bend	trans	-64.6	-1.5	172	-67.1	-164.2	173.5	-166.2	0	114	E671	K251-E671 IonicContact NZ-OE2 3.67Å; K251-E671 PolarHBondContact NZ-OE2 3.37Å
252	R	86.5	Confident	88.8	Confident	205 Å²	205	43.3 Å²	43.3	77%	0.774	21%	0.209	S	C	*	.	S	Bend	trans	-151.1	135.6	175.4	-65.4	-174.3	178.8	160.9	2.3	110.9	M250 I254	M250-R252 PolarHBondContact O-N 2.95Å; R252-I254 PolarHBondContact O-N 3.25Å
253	C	87.3	Confident	88.6	Confident	19 Å²	19	42 Å²	42	13%	0.128	20%	0.203	C	C	.	.			trans	-67.8	130	171.4	178.8	0	0	0	0	111	E274 H286	C253-E274 HydrophobicContact CB-CG 4.44Å; C253-E274 WeakPolarHBondContact CB-OE1 3.46Å; C253-H286 VanDerWaalsContact CA-CB 3.46Å; C253-H286 HydrophobicContact CB-CB 3.66Å
254	I	91.6	Very high	88.4	Confident	44 Å²	44	42.1 Å²	42.1	23%	0.226	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.4	168.5	-56.5	-169.1	0	0	0	107.8	F217 M250 R252 V256 P287 F288 L289	F217-I254 HydrophobicContact CD1-CD1 4.05Å; F217-I254 HydrophobicContact CE1-CD1 3.75Å; F217-I254 HydrophobicContact CE1-CG2 4.12Å; F217-I254 HydrophobicContact CZ-CG2 3.94Å; M250-I254 HydrophobicContact CE-CD1 3.79Å; M250-I254 HydrophobicContact CE-CG1 3.99Å; M250-I254 HydrophobicContact SD-CD1 4.28Å; R252-I254 PolarHBondContact O-N 3.25Å; I254-V256 HydrophobicContact CG2-CG2 4.04Å; I254-P287 PolarHBondContact N-O 2.91Å; I254-F288 HydrophobicContact CB-CD2 3.99Å; I254-F288 HydrophobicContact CB-CE2 4.46Å; I254-F288 HydrophobicContact CG2-CD2 4.03Å; I254-F288 HydrophobicContact CG2-CE2 3.98Å; I254-L289 PolarHBondContact O-N 3.16Å
255	L	92.7	Very high	88.2	Confident	27 Å²	27	47.3 Å²	47.3	14%	0.141	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.9	172.6	175	60.4	0	0	0	109.9	L257 K270 L289 L291	L255-L257 HydrophobicContact CD1-CB 4.24Å; L255-L257 HydrophobicContact CD2-CB 4.46Å; L255-L257 HydrophobicContact CG-CB 4.1Å; L255-K270 HydrophobicContact CD2-CB 3.78Å; L255-K270 HydrophobicContact CD2-CG 4.14Å; L255-L289 HydrophobicContact CD1-CB 3.69Å; L255-L289 HydrophobicContact CD1-CD1 4.04Å; L255-L291 HydrophobicContact CD1-CD1 4.07Å; L255-L291 HydrophobicContact CD1-CG 4.42Å
256	V	94.3	Very high	88.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	86.3	173.3	-173.5	0	0	0	0	108	R179 F217 I254 F258 L289 Y290 L291	R179-V256 HydrophobicContact CB-CG1 3.9Å; R179-V256 HydrophobicContact CG-CG1 3.96Å; R179-V256 HydrophobicContact CG-CG2 4.14Å; F217-V256 HydrophobicContact CE2-CG2 4.36Å; F217-V256 HydrophobicContact CZ-CG2 4.47Å; I254-V256 HydrophobicContact CG2-CG2 4.04Å; V256-F258 HydrophobicContact CG1-CD2 4.06Å; V256-F258 HydrophobicContact CG1-CE2 3.65Å; V256-L289 PolarHBondContact N-O 2.79Å; V256-Y290 HydrophobicContact CB-CD2 4.11Å; V256-Y290 HydrophobicContact CG1-CD2 3.85Å; V256-Y290 WeakPolarHBondContact O-CA 3.22Å; V256-L291 PolarHBondContact O-N 3.16Å
257	L	93.1	Very high	88.4	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.8	-177.7	174.4	65.5	0	0	0	111.4	L255 I259 V264 L269 L291 L293	L255-L257 HydrophobicContact CD1-CB 4.24Å; L255-L257 HydrophobicContact CD2-CB 4.46Å; L255-L257 HydrophobicContact CG-CB 4.1Å; L257-I259 HydrophobicContact CD1-CG1 4.32Å; L257-I259 HydrophobicContact CD2-CD1 4.48Å; L257-I259 HydrophobicContact CG-CG1 4.34Å; L257-V264 WeakPolarHBondContact CB-O 3.39Å; L257-V264 HydrophobicContact CD2-CB 4.47Å; L257-V264 HydrophobicContact CD2-CG1 4.46Å; L257-V264 PolarHBondContact O-N 3.32Å; L257-V264 VanDerWaalsContact O-N 3.08Å; L257-L269 HydrophobicContact CD1-CD2 3.68Å; L257-L269 HydrophobicContact CD2-CD2 3.97Å; L257-L269 HydrophobicContact CG-CD2 4.43Å; L257-L291 WeakPolarHBondContact CA-O 3.42Å; L257-L291 HydrophobicContact CD1-CB 4.22Å; L257-L293 HydrophobicContact CD1-CD1 3.73Å
258	F	92.8	Very high	88.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.4	171.5	-79.9	-94.7	0	0	0	110.7	R179 Y180 H183 V256 H261 R262 L263 Y290 L291 S292 L293	R179-F258 HydrophobicContact CB-CE2 4.31Å; R179-F258 HydrophobicContact CB-CZ 4.39Å; R179-F258 WeakPolarHBondContact O-CE2 3.44Å; R179-F258 WeakPolarHBondContact O-CZ 3.49Å; Y180-F258 HydrophobicContact CD1-CE1 4.3Å; Y180-F258 HydrophobicContact CD2-CZ 4.34Å; Y180-F258 HydrophobicContact CE1-CE1 4.31Å; Y180-F258 HydrophobicContact CG-CE1 4.47Å; Y180-F258 HydrophobicContact CG-CZ 4.32Å; H183-F258 HydrophobicContact CB-CD1 4.01Å; H183-F258 HydrophobicContact CB-CD2 3.8Å; H183-F258 HydrophobicContact CB-CE1 3.85Å; H183-F258 HydrophobicContact CB-CE2 3.61Å; H183-F258 HydrophobicContact CB-CG 4Å; H183-F258 HydrophobicContact CB-CZ 3.65Å; H183-F258 AromaticContact CD2-CD1 3.53Å; H183-F258 AromaticContact CD2-CE1 3.85Å; H183-F258 AromaticContact CD2-CG 3.98Å; H183-F258 AromaticContact CG-CD1 3.6Å; H183-F258 AromaticContact CG-CD2 3.91Å; H183-F258 AromaticContact CG-CE1 3.88Å; H183-F258 AromaticContact CG-CG 3.62Å; H183-F258 AromaticContact ND1-CG 3.76Å; V256-F258 HydrophobicContact CG1-CD2 4.06Å; V256-F258 HydrophobicContact CG1-CE2 3.65Å; F258-H261 WeakPolarHBondContact CD1-O 3.5Å; F258-R262 CarbonylContact C-O 3.51Å; F258-R262 VanDerWaalsContact CA-O 3.22Å; F258-R262 WeakPolarHBondContact CA-O 3.47Å; F258-R262 VanDerWaalsContact CD1-C 3.48Å; F258-L263 HydrophobicContact CD1-CB 4.39Å; F258-L263 HydrophobicContact CE1-CB 3.79Å; F258-L263 HydrophobicContact CE2-CD1 4Å; F258-L263 HydrophobicContact CZ-CB 3.88Å; F258-L263 HydrophobicContact CZ-CD1 4.08Å; F258-Y290 HydrophobicContact CD2-CE2 4.12Å; F258-L291 PolarHBondContact N-O 3.11Å; F258-S292 WeakPolarHBondContact O-CA 3.46Å; F258-L293 PolarHBondContact O-N 2.93Å
259	I	89.9	Confident	88.9	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.5	173.2	-54.2	-178.4	0	0	0	107.8	L257 H261 R262 V264 L293 I295 V300 F313	L257-I259 HydrophobicContact CD1-CG1 4.32Å; L257-I259 HydrophobicContact CD2-CD1 4.48Å; L257-I259 HydrophobicContact CG-CG1 4.34Å; I259-H261 PolarHBondContact O-N 3.06Å; I259-R262 PolarHBondContact N-O 2.88Å; I259-R262 WeakPolarHBondContact O-CB 3.27Å; I259-R262 PolarHBondContact O-N 3.01Å; I259-V264 HydrophobicContact CB-CG2 4.17Å; I259-V264 HydrophobicContact CD1-CB 4.3Å; I259-V264 HydrophobicContact CD1-CG1 4.11Å; I259-V264 HydrophobicContact CD1-CG2 4.34Å; I259-V264 HydrophobicContact CG1-CB 4.34Å; I259-V264 HydrophobicContact CG1-CG2 4.23Å; I259-L293 WeakPolarHBondContact CA-O 3.42Å; I259-I295 HydrophobicContact CG2-CD1 4.03Å; I259-V300 HydrophobicContact CG2-CG1 4.46Å; I259-F313 HydrophobicContact CD1-CD1 4.39Å; I259-F313 HydrophobicContact CD1-CE1 4.06Å
260	N	87.8	Confident	89.1	Confident	37 Å²	37	46.9 Å²	46.9	20%	0.198	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	49	-174.8	-67.9	-5.9	0	0	0	112.3	R262 L293 I295	N260-R262 PolarHBondContact O-N 2.81Å; N260-R262 VanDerWaalsContact O-N 3.12Å; N260-L293 PolarHBondContact N-O 2.85Å; N260-I295 PolarHBondContact ND2-O 3.04Å; N260-I295 PolarHBondContact OD1-N 3.05Å; N260-I295 PolarHBondContact OD1-O 2.83Å; N260-I295 VanDerWaalsContact OD1-O 3.1Å
261	H	87.3	Confident	89.4	Confident	80 Å²	80	51.1 Å²	51.1	37%	0.37	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	0.8	-176.3	-45.7	-63.7	0	0	0	117.1	Y94 H183 F258 I259	Y94-H261 HydrophobicContact CE1-CB 4.05Å; Y94-H261 WeakPolarHBondContact CE1-O 3.49Å; Y94-H261 HydrophobicContact CE2-CB 4.35Å; H183-H261 AromaticContact CE1-ND1 3.59Å; H183-H261 WeakPolarHBondContact NE2-CA 3.28Å; H183-H261 AromaticContact NE2-CG 3.63Å; H183-H261 AromaticContact NE2-ND1 2.94Å; H183-H261 PolarHBondContact NE2-ND1 2.82Å; F258-H261 WeakPolarHBondContact CD1-O 3.5Å; I259-H261 PolarHBondContact O-N 3.06Å
262	R	86.9	Confident	89.6	Confident	8 Å²	8	44.2 Å²	44.2	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.7	173.8	-57.5	172.7	167.4	-71.2	-8.1	110.3	T93 Y94 F258 I259 N260 V264	T93-R262 PolarHBondContact O-NH2 3.18Å; Y94-R262 PolarHBondContact O-NH1 3.08Å; Y94-R262 PolarHBondContact O-NH2 3.48Å; F258-R262 CarbonylContact C-O 3.51Å; F258-R262 VanDerWaalsContact CA-O 3.22Å; F258-R262 WeakPolarHBondContact CA-O 3.47Å; F258-R262 VanDerWaalsContact CD1-C 3.48Å; I259-R262 PolarHBondContact N-O 2.88Å; I259-R262 WeakPolarHBondContact O-CB 3.27Å; I259-R262 PolarHBondContact O-N 3.01Å; N260-R262 PolarHBondContact O-N 2.81Å; N260-R262 VanDerWaalsContact O-N 3.12Å; R262-V264 HydrophobicContact CB-CG2 4.26Å; R262-V264 PolarHBondContact O-N 3.15Å
263	L	90.6	Very high	89.8	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.2	166.6	174.5	65.5	0	0	0	109.1	R179 Y180 F258	R179-L263 HydrophobicContact CB-CD1 4.15Å; R179-L263 HydrophobicContact CB-CD2 4.26Å; R179-L263 HydrophobicContact CG-CD1 4.48Å; Y180-L263 HydrophobicContact CD2-CB 4.35Å; Y180-L263 HydrophobicContact CD2-CD2 4.2Å; Y180-L263 HydrophobicContact CE2-CB 3.5Å; Y180-L263 VanDerWaalsContact CE2-CB 3.5Å; Y180-L263 HydrophobicContact CE2-CD2 3.68Å; Y180-L263 HydrophobicContact CE2-CG 4.24Å; F258-L263 HydrophobicContact CD1-CB 4.39Å; F258-L263 HydrophobicContact CE1-CB 3.79Å; F258-L263 HydrophobicContact CE2-CD1 4Å; F258-L263 HydrophobicContact CZ-CB 3.88Å; F258-L263 HydrophobicContact CZ-CD1 4.08Å
264	V	89.4	Confident	89.9	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147	-177	178.3	0	0	0	0	109.4	L257 I259 R262 H309 V311	L257-V264 WeakPolarHBondContact CB-O 3.39Å; L257-V264 HydrophobicContact CD2-CB 4.47Å; L257-V264 HydrophobicContact CD2-CG1 4.46Å; L257-V264 PolarHBondContact O-N 3.32Å; L257-V264 VanDerWaalsContact O-N 3.08Å; I259-V264 HydrophobicContact CB-CG2 4.17Å; I259-V264 HydrophobicContact CD1-CB 4.3Å; I259-V264 HydrophobicContact CD1-CG1 4.11Å; I259-V264 HydrophobicContact CD1-CG2 4.34Å; I259-V264 HydrophobicContact CG1-CB 4.34Å; I259-V264 HydrophobicContact CG1-CG2 4.23Å; R262-V264 HydrophobicContact CB-CG2 4.26Å; R262-V264 PolarHBondContact O-N 3.15Å; V264-H309 CarbonylContact C-O 3.47Å; V264-H309 WeakPolarHBondContact CA-O 3.38Å; V264-H309 WeakPolarHBondContact CG1-O 3.32Å; V264-V311 HydrophobicContact CG1-CB 4.19Å; V264-V311 HydrophobicContact CG1-CG2 4.32Å; V264-V311 HydrophobicContact CG2-CB 4.22Å; V264-V311 HydrophobicContact CG2-CG2 3.63Å
265	E	88.2	Confident	89.8	Confident	109 Å²	109	38 Å²	38	51%	0.509	20%	0.204	S	C	.	.			trans	-111.6	110.6	171.1	-57.1	-162.8	148.2	0	0	109.1	R179 H309	R179-E265 IonicContact CZ-OE1 2.71Å; R179-E265 IonicContact NH1-OE1 2.68Å; R179-E265 PolarHBondContact NH1-OE1 2.98Å; R179-E265 IonicContact NH2-OE1 2.7Å; R179-E265 PolarHBondContact NH2-OE1 3.47Å; E265-H309 PolarHBondContact N-O 3.36Å
266	S	88.3	Confident	89.7	Confident	22 Å²	22	37.6 Å²	37.6	15%	0.154	20%	0.203	C	C	.	.			trans	-109.8	114.4	174	174.1	0	0	0	0	110.2	A268 L269 K270	S266-A268 VanDerWaalsContact C-N 3.31Å; S266-L269 PolarHBondContact OG-N 3.35Å; S266-K270 WeakPolarHBondContact O-CB 3.48Å; S266-K270 PolarHBondContact O-N 3.4Å; S266-K270 VanDerWaalsContact O-N 3.11Å
267	S	87.6	Confident	89.5	Confident	89 Å²	89	37.7 Å²	37.7	62%	0.622	20%	0.203	S	C	*	.	H	α-helix	trans	-72.2	-26.6	176.4	69.7	0	0	0	0	112.7	K271	S267-K271 VanDerWaalsContact O-CG 3.31Å; S267-K271 WeakPolarHBondContact O-CG 3.33Å; S267-K271 PolarHBondContact O-N 3.32Å; S267-K271 VanDerWaalsContact O-N 3.15Å
268	A	88.3	Confident	89.3	Confident	38 Å²	38	41.3 Å²	41.3	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-69.1	-55.3	175.3	0	0	0	0	0	110.7	S266 K270 K271 A272 M320	S266-A268 VanDerWaalsContact C-N 3.31Å; A268-K270 VanDerWaalsContact C-N 3.27Å; A268-K270 PolarHBondContact O-N 3.31Å; A268-K271 PolarHBondContact O-N 3.14Å; A268-A272 WeakPolarHBondContact O-CB 3.13Å; A268-A272 PolarHBondContact O-N 3.4Å; A268-M320 HydrophobicContact CB-CE 4.01Å; A268-M320 HydrophobicContact CB-SD 3.58Å; A268-M320 VanDerWaalsContact CB-SD 3.58Å
269	L	88.3	Confident	89	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-36.6	177.9	-176.2	66.4	0	0	0	111.8	L257 S266 A272 V273 L291 M320 V323	L257-L269 HydrophobicContact CD1-CD2 3.68Å; L257-L269 HydrophobicContact CD2-CD2 3.97Å; L257-L269 HydrophobicContact CG-CD2 4.43Å; S266-L269 PolarHBondContact OG-N 3.35Å; L269-A272 PolarHBondContact O-N 3.29Å; L269-V273 HydrophobicContact CD1-CG2 4.24Å; L269-V273 WeakPolarHBondContact O-CG2 3.41Å; L269-V273 PolarHBondContact O-N 3.41Å; L269-L291 HydrophobicContact CD2-CD1 4.16Å; L269-M320 HydrophobicContact CB-SD 4.32Å; L269-M320 HydrophobicContact CD1-CG 4.09Å; L269-V323 HydrophobicContact CD1-CB 4.48Å; L269-V323 HydrophobicContact CD1-CG1 4.09Å
270	K	90.7	Very high	88.8	Confident	74 Å²	74	47.6 Å²	47.6	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-58.7	-54.5	175.1	-168.3	-166.8	170.1	-157.4	0	111.4	L255 S266 A268 A272 V273 E274	L255-K270 HydrophobicContact CD2-CB 3.78Å; L255-K270 HydrophobicContact CD2-CG 4.14Å; S266-K270 WeakPolarHBondContact O-CB 3.48Å; S266-K270 PolarHBondContact O-N 3.4Å; S266-K270 VanDerWaalsContact O-N 3.11Å; A268-K270 VanDerWaalsContact C-N 3.27Å; A268-K270 PolarHBondContact O-N 3.31Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 2.62Å; K270-V273 PolarHBondContact O-N 2.85Å; K270-E274 WeakPolarHBondContact CE-OE1 3.49Å; K270-E274 VanDerWaalsContact CE-OE2 3.28Å; K270-E274 WeakPolarHBondContact CE-OE2 3.26Å; K270-E274 HydrophobicContact CG-CG 4.5Å; K270-E274 IonicContact NZ-OE1 3.7Å; K270-E274 PolarHBondContact NZ-OE1 3.48Å; K270-E274 IonicContact NZ-OE2 2.69Å; K270-E274 WeakPolarHBondContact O-CB 3.42Å; K270-E274 WeakPolarHBondContact O-CG 3.46Å; K270-E274 PolarHBondContact O-N 2.81Å
271	K	90.1	Very high	88.7	Confident	140 Å²	140	46.6 Å²	46.6	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-58.6	-44.6	177.1	-73.3	173.3	-178.6	179.3	0	111.3	S267 A268 V273 E274 T275	S267-K271 VanDerWaalsContact O-CG 3.31Å; S267-K271 WeakPolarHBondContact O-CG 3.33Å; S267-K271 PolarHBondContact O-N 3.32Å; S267-K271 VanDerWaalsContact O-N 3.15Å; A268-K271 PolarHBondContact O-N 3.14Å; K271-V273 VanDerWaalsContact C-N 3.32Å; K271-V273 PolarHBondContact O-N 3.46Å; K271-E274 PolarHBondContact O-N 3.21Å; K271-T275 PolarHBondContact O-N 3.48Å; K271-T275 PolarHBondContact O-OG1 2.68Å; K271-T275 VanDerWaalsContact O-OG1 3.05Å
272	A	90.3	Very high	88.4	Confident	12 Å²	12	46.9 Å²	46.9	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-44.2	-179.8	0	0	0	0	0	112.2	A268 L269 K270 V276 Q324	A268-A272 WeakPolarHBondContact O-CB 3.13Å; A268-A272 PolarHBondContact O-N 3.4Å; L269-A272 PolarHBondContact O-N 3.29Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 2.62Å; A272-V276 PolarHBondContact O-N 3.11Å; A272-Q324 HydrophobicContact CB-CG 3.86Å; A272-Q324 PolarHBondContact O-NE2 3.44Å
273	V	89.8	Confident	88	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-77.1	-38	176.6	-177.1	0	0	0	0	111.8	L269 K270 K271 T275 V276 Y277 L289 I327	L269-V273 HydrophobicContact CD1-CG2 4.24Å; L269-V273 WeakPolarHBondContact O-CG2 3.41Å; L269-V273 PolarHBondContact O-N 3.41Å; K270-V273 PolarHBondContact O-N 2.85Å; K271-V273 VanDerWaalsContact C-N 3.32Å; K271-V273 PolarHBondContact O-N 3.46Å; V273-T275 VanDerWaalsContact C-N 3.27Å; V273-T275 PolarHBondContact O-N 3.39Å; V273-V276 PolarHBondContact O-N 2.87Å; V273-V276 VanDerWaalsContact O-N 3.09Å; V273-Y277 HydrophobicContact CG1-CD2 3.62Å; V273-Y277 HydrophobicContact CG1-CE2 3.62Å; V273-Y277 WeakPolarHBondContact O-CD2 3.45Å; V273-Y277 PolarHBondContact O-N 3.49Å; V273-L289 HydrophobicContact CB-CD1 3.99Å; V273-L289 HydrophobicContact CG1-CD1 3.5Å; V273-L289 HydrophobicContact CG1-CD2 3.8Å; V273-L289 HydrophobicContact CG1-CG 4.31Å; V273-I327 HydrophobicContact CG1-CD1 4.09Å; V273-I327 HydrophobicContact CG2-CD1 3.82Å
274	E	89.9	Confident	87.5	Confident	40 Å²	40	62.7 Å²	62.7	19%	0.187	35%	0.353	C	S	.	.	H	α-helix	trans	-58.4	-36.9	173.6	-75.1	178.3	138	0	0	112.1	C253 K270 K271 Y277 A278 H286	C253-E274 HydrophobicContact CB-CG 4.44Å; C253-E274 WeakPolarHBondContact CB-OE1 3.46Å; K270-E274 WeakPolarHBondContact CE-OE1 3.49Å; K270-E274 VanDerWaalsContact CE-OE2 3.28Å; K270-E274 WeakPolarHBondContact CE-OE2 3.26Å; K270-E274 HydrophobicContact CG-CG 4.5Å; K270-E274 IonicContact NZ-OE1 3.7Å; K270-E274 PolarHBondContact NZ-OE1 3.48Å; K270-E274 IonicContact NZ-OE2 2.69Å; K270-E274 WeakPolarHBondContact O-CB 3.42Å; K270-E274 WeakPolarHBondContact O-CG 3.46Å; K270-E274 PolarHBondContact O-N 2.81Å; K271-E274 PolarHBondContact O-N 3.21Å; E274-Y277 PolarHBondContact O-N 2.93Å; E274-A278 WeakPolarHBondContact O-CB 3.38Å; E274-A278 PolarHBondContact O-N 2.86Å; E274-H286 IonicContact OE1-CE1 2.72Å; E274-H286 PolarHBondContact OE1-CE1 2.71Å; E274-H286 VanDerWaalsContact OE1-CE1 3.29Å; E274-H286 IonicContact OE1-CG 3.62Å; E274-H286 IonicContact OE1-ND1 2.8Å; E274-H286 PolarHBondContact OE1-ND1 3.04Å
275	T	90.6	Very high	87.4	Confident	98 Å²	98	63.8 Å²	63.8	60%	0.601	36%	0.36	S	S	*	.	H	α-helix	trans	-63.1	-39.3	173.2	-58.9	0	0	0	0	112.8	K271 V273	K271-T275 PolarHBondContact O-N 3.48Å; K271-T275 PolarHBondContact O-OG1 2.68Å; K271-T275 VanDerWaalsContact O-OG1 3.05Å; V273-T275 VanDerWaalsContact C-N 3.27Å; V273-T275 PolarHBondContact O-N 3.39Å
276	V	90.4	Very high	87.5	Confident	18 Å²	18	60.7 Å²	60.7	11%	0.109	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-45.4	175.3	175.7	0	0	0	0	110.5	A272 V273 A278 A279 Y280 Q324 I327 E328 L331	A272-V276 PolarHBondContact O-N 3.11Å; V273-V276 PolarHBondContact O-N 2.87Å; V273-V276 VanDerWaalsContact O-N 3.09Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 2.86Å; V276-A279 PolarHBondContact O-N 3.42Å; V276-Y280 HydrophobicContact CG1-CE2 4.24Å; V276-Y280 WeakPolarHBondContact O-CD2 3.37Å; V276-Y280 WeakPolarHBondContact O-CE2 3.44Å; V276-Q324 HydrophobicContact CG2-CB 3.91Å; V276-Q324 HydrophobicContact CG2-CG 4.04Å; V276-I327 HydrophobicContact CG1-CG2 4.46Å; V276-E328 HydrophobicContact CG1-CB 3.89Å; V276-E328 HydrophobicContact CG1-CG 4.45Å; V276-L331 HydrophobicContact CG1-CD1 4.1Å
277	Y	89.8	Confident	87.7	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-70.8	-24.2	-179.4	-84.9	-90.9	0	0	0	114.1	V243 S244 V273 E274 A279 Y280 L281 P287 L289 I327 L331	V243-Y277 WeakPolarHBondContact CB-OH 3.48Å; V243-Y277 WeakPolarHBondContact CG2-OH 3.35Å; S244-Y277 VanDerWaalsContact O-CE1 3.26Å; S244-Y277 WeakPolarHBondContact O-CE1 3.21Å; S244-Y277 PolarHBondContact O-OH 3.18Å; V273-Y277 HydrophobicContact CG1-CD2 3.62Å; V273-Y277 HydrophobicContact CG1-CE2 3.62Å; V273-Y277 WeakPolarHBondContact O-CD2 3.45Å; V273-Y277 PolarHBondContact O-N 3.49Å; E274-Y277 PolarHBondContact O-N 2.93Å; Y277-A279 PolarHBondContact O-N 3.29Å; Y277-A279 VanDerWaalsContact O-N 3.14Å; Y277-Y280 PolarHBondContact O-N 3.14Å; Y277-L281 HydrophobicContact CD1-CD1 3.77Å; Y277-L281 HydrophobicContact CD1-CG 3.95Å; Y277-L281 HydrophobicContact CG-CD1 4.31Å; Y277-L281 PolarHBondContact O-N 3.02Å; Y277-P287 HydrophobicContact CD1-CB 3.7Å; Y277-P287 HydrophobicContact CD1-CG 4.07Å; Y277-P287 HydrophobicContact CD2-CB 4.05Å; Y277-P287 HydrophobicContact CD2-CG 3.72Å; Y277-P287 HydrophobicContact CE1-CB 3.63Å; Y277-P287 HydrophobicContact CE1-CG 4.36Å; Y277-P287 HydrophobicContact CE2-CB 3.98Å; Y277-P287 HydrophobicContact CE2-CG 4.03Å; Y277-P287 HydrophobicContact CG-CB 3.89Å; Y277-P287 HydrophobicContact CG-CG 3.71Å; Y277-L289 HydrophobicContact CE2-CD2 3.82Å; Y277-I327 HydrophobicContact CE2-CG2 3.76Å; Y277-L331 HydrophobicContact CD1-CD1 4.16Å; Y277-L331 HydrophobicContact CD2-CD1 4.28Å; Y277-L331 HydrophobicContact CE1-CD1 3.85Å; Y277-L331 HydrophobicContact CE1-CD2 3.72Å; Y277-L331 HydrophobicContact CE1-CG 4.41Å; Y277-L331 HydrophobicContact CE2-CD1 3.98Å; Y277-L331 HydrophobicContact CG-CD1 4.39Å
278	A	88.4	Confident	88	Confident	78 Å²	78	55.5 Å²	55.5	65%	0.645	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.7	176.3	0	0	0	0	0	114	E274 V276	E274-A278 WeakPolarHBondContact O-CB 3.38Å; E274-A278 PolarHBondContact O-N 2.86Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 2.86Å
279	A	86.4	Confident	88.3	Confident	80 Å²	80	53.7 Å²	53.7	66%	0.661	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.9	172.3	0	0	0	0	0	113.9	V276 Y277	V276-A279 PolarHBondContact O-N 3.42Å; Y277-A279 PolarHBondContact O-N 3.29Å; Y277-A279 VanDerWaalsContact O-N 3.14Å
280	Y	84.9	Confident	88.6	Confident	57 Å²	57	53.9 Å²	53.9	22%	0.224	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-24.6	-172.6	-56.5	-74.7	0	0	0	114.3	V276 Y277 L331 L332	V276-Y280 HydrophobicContact CG1-CE2 4.24Å; V276-Y280 WeakPolarHBondContact O-CD2 3.37Å; V276-Y280 WeakPolarHBondContact O-CE2 3.44Å; Y277-Y280 PolarHBondContact O-N 3.14Å; Y280-L331 HydrophobicContact CD2-CD1 3.85Å; Y280-L331 HydrophobicContact CE2-CB 4.36Å; Y280-L331 HydrophobicContact CE2-CD1 4.02Å; Y280-L332 HydrophobicContact CE1-CD2 4.11Å; Y280-L332 WeakPolarHBondContact OH-CD2 3.45Å; Y280-L332 WeakPolarHBondContact OH-CG 3.44Å
281	L	85.8	Confident	88.8	Confident	16 Å²	16	50.3 Å²	50.3	8%	0.084	28%	0.279	C	S	.	.	S	Bend	trans	-102.6	153	-178.2	-64.3	-175	0	0	0	112.5	Y277 P287	Y277-L281 HydrophobicContact CD1-CD1 3.77Å; Y277-L281 HydrophobicContact CD1-CG 3.95Å; Y277-L281 HydrophobicContact CG-CD1 4.31Å; Y277-L281 PolarHBondContact O-N 3.02Å; L281-P287 HydrophobicContact CD1-CB 4.39Å
282	P	82.2	Confident	89	Confident	85 Å²	85	43.9 Å²	43.9	55%	0.552	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-55.5	153	170	-25.7	34.7	0	0	0	113.7	S285	P282-S285 WeakPolarHBondContact CD-OG 3.43Å; P282-S285 WeakPolarHBondContact O-CB 3.25Å; P282-S285 PolarHBondContact O-N 3.18Å; P282-S285 PolarHBondContact O-OG 2.74Å
283	K	77.7	Confident	89.1	Confident	209 Å²	209	43.4 Å²	43.4	91%	0.909	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	141.9	173.9	-65.6	-179.8	-179.5	175.8	0	111.1	S285	K283-S285 PolarHBondContact O-N 2.88Å
284	N	80.8	Confident	89.2	Confident	137 Å²	137	46.3 Å²	46.3	73%	0.733	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.6	-177.3	-157.5	15.3	0	0	0	114.5
285	S	86.1	Confident	89.1	Confident	26 Å²	26	44.9 Å²	44.9	18%	0.182	26%	0.255	C	S	.	.			trans	-134.2	147.4	176.1	85.3	0	0	0	0	111.4	P282 K283	P282-S285 WeakPolarHBondContact CD-OG 3.43Å; P282-S285 WeakPolarHBondContact O-CB 3.25Å; P282-S285 PolarHBondContact O-N 3.18Å; P282-S285 PolarHBondContact O-OG 2.74Å; K283-S285 PolarHBondContact O-N 2.88Å
286	H	90.4	Very high	88.8	Confident	45 Å²	45	41.6 Å²	41.6	21%	0.208	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-135.6	154.9	-164.1	-62.7	-103.2	0	0	0	112.9	M250 C253 E274	M250-H286 PolarHBondContact N-O 3.36Å; M250-H286 PolarHBondContact O-N 3.26Å; C253-H286 VanDerWaalsContact CA-CB 3.46Å; C253-H286 HydrophobicContact CB-CB 3.66Å; E274-H286 IonicContact OE1-CE1 2.72Å; E274-H286 PolarHBondContact OE1-CE1 2.71Å; E274-H286 VanDerWaalsContact OE1-CE1 3.29Å; E274-H286 IonicContact OE1-CG 3.62Å; E274-H286 IonicContact OE1-ND1 2.8Å; E274-H286 PolarHBondContact OE1-ND1 3.04Å
287	P	92.9	Very high	88.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	25%	0.251	C	S	.	.			trans	-80.9	165.5	178.4	34.4	-38.6	0	0	0	114.2	S244 I254 Y277 L281 L289	S244-P287 WeakPolarHBondContact OG-CA 3.36Å; S244-P287 WeakPolarHBondContact OG-CB 3.49Å; I254-P287 PolarHBondContact N-O 2.91Å; Y277-P287 HydrophobicContact CD1-CB 3.7Å; Y277-P287 HydrophobicContact CD1-CG 4.07Å; Y277-P287 HydrophobicContact CD2-CB 4.05Å; Y277-P287 HydrophobicContact CD2-CG 3.72Å; Y277-P287 HydrophobicContact CE1-CB 3.63Å; Y277-P287 HydrophobicContact CE1-CG 4.36Å; Y277-P287 HydrophobicContact CE2-CB 3.98Å; Y277-P287 HydrophobicContact CE2-CG 4.03Å; Y277-P287 HydrophobicContact CG-CB 3.89Å; Y277-P287 HydrophobicContact CG-CG 3.71Å; L281-P287 HydrophobicContact CD1-CB 4.39Å; P287-L289 HydrophobicContact CB-CD2 4.1Å; P287-L289 HydrophobicContact CB-CG 4.25Å; P287-L289 HydrophobicContact CG-CD1 4.07Å; P287-L289 HydrophobicContact CG-CD2 4.13Å; P287-L289 HydrophobicContact CG-CG 4.02Å
288	F	94.4	Very high	87.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.7	158.6	174	-89.9	0	0	0	109.8	I213 F217 V221 L225 S244 Y248 M250 I254	I213-F288 HydrophobicContact CD1-CE1 4.14Å; I213-F288 HydrophobicContact CD1-CZ 4.42Å; I213-F288 HydrophobicContact CG1-CE1 4.43Å; I213-F288 HydrophobicContact CG1-CZ 4.27Å; I213-F288 HydrophobicContact CG2-CE1 4.02Å; I213-F288 HydrophobicContact CG2-CZ 4.02Å; F217-F288 HydrophobicContact CD1-CE2 4.45Å; F217-F288 HydrophobicContact CD2-CD2 4.36Å; F217-F288 AromaticContact CD2-CE2 3.37Å; F217-F288 HydrophobicContact CD2-CE2 3.37Å; F217-F288 AromaticContact CD2-CZ 3.77Å; F217-F288 HydrophobicContact CD2-CZ 3.77Å; F217-F288 AromaticContact CE2-CE2 3.5Å; F217-F288 HydrophobicContact CE2-CE2 3.5Å; F217-F288 AromaticContact CE2-CZ 3.98Å; F217-F288 HydrophobicContact CE2-CZ 3.98Å; F217-F288 HydrophobicContact CG-CD2 4.49Å; F217-F288 AromaticContact CG-CE2 3.88Å; F217-F288 HydrophobicContact CG-CE2 3.88Å; F217-F288 HydrophobicContact CZ-CE2 4.13Å; V221-F288 HydrophobicContact CG1-CB 4.1Å; V221-F288 HydrophobicContact CG1-CD1 3.54Å; V221-F288 HydrophobicContact CG1-CD2 4.06Å; V221-F288 HydrophobicContact CG1-CE1 3.97Å; V221-F288 HydrophobicContact CG1-CE2 4.45Å; V221-F288 HydrophobicContact CG1-CG 3.59Å; V221-F288 HydrophobicContact CG1-CZ 4.41Å; L225-F288 HydrophobicContact CD2-CD1 3.81Å; L225-F288 HydrophobicContact CD2-CE1 4.09Å; S244-F288 PolarHBondContact N-O 2.95Å; S244-F288 PolarHBondContact OG-N 3.14Å; S244-F288 PolarHBondContact OG-O 2.85Å; Y248-F288 HydrophobicContact CE1-CB 4.29Å; M250-F288 HydrophobicContact CE-CB 4.09Å; M250-F288 HydrophobicContact CE-CD2 4.4Å; I254-F288 HydrophobicContact CB-CD2 3.99Å; I254-F288 HydrophobicContact CB-CE2 4.46Å; I254-F288 HydrophobicContact CG2-CD2 4.03Å; I254-F288 HydrophobicContact CG2-CE2 3.98Å
289	L	94.3	Very high	87.4	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	124.2	-175.3	-55.5	169.6	0	0	0	110.4	V243 I254 L255 V256 V273 Y277 P287	V243-L289 HydrophobicContact CB-CD2 3.81Å; V243-L289 HydrophobicContact CG1-CD2 3.68Å; I254-L289 PolarHBondContact O-N 3.16Å; L255-L289 HydrophobicContact CD1-CB 3.69Å; L255-L289 HydrophobicContact CD1-CD1 4.04Å; V256-L289 PolarHBondContact N-O 2.79Å; V273-L289 HydrophobicContact CB-CD1 3.99Å; V273-L289 HydrophobicContact CG1-CD1 3.5Å; V273-L289 HydrophobicContact CG1-CD2 3.8Å; V273-L289 HydrophobicContact CG1-CG 4.31Å; Y277-L289 HydrophobicContact CE2-CD2 3.82Å; P287-L289 HydrophobicContact CB-CD2 4.1Å; P287-L289 HydrophobicContact CB-CG 4.25Å; P287-L289 HydrophobicContact CG-CD1 4.07Å; P287-L289 HydrophobicContact CG-CD2 4.13Å; P287-L289 HydrophobicContact CG-CG 4.02Å
290	Y	95.6	Very high	87.3	Confident	12 Å²	12	46 Å²	46	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.8	163.7	164.6	-104.9	0	0	0	109	I182 H183 V209 G241 F242 V256 F258	I182-Y290 HydrophobicContact CG2-CD1 4.49Å; I182-Y290 HydrophobicContact CG2-CD2 3.79Å; I182-Y290 HydrophobicContact CG2-CE2 3.98Å; I182-Y290 HydrophobicContact CG2-CG 4.06Å; H183-Y290 HydrophobicContact CB-CE2 4.19Å; H183-Y290 AromaticContact ND1-CZ 3.94Å; H183-Y290 PolarHBondContact ND1-OH 3.34Å; V209-Y290 HydrophobicContact CG1-CD1 3.89Å; V209-Y290 HydrophobicContact CG1-CE1 3.62Å; G241-Y290 CarbonylContact C-O 3.6Å; G241-Y290 WeakPolarHBondContact CA-O 3.32Å; F242-Y290 HydrophobicContact CD2-CD1 4.08Å; F242-Y290 HydrophobicContact CD2-CE1 4.48Å; F242-Y290 PolarHBondContact N-O 3.4Å; F242-Y290 PolarHBondContact O-N 3.24Å; V256-Y290 HydrophobicContact CB-CD2 4.11Å; V256-Y290 HydrophobicContact CG1-CD2 3.85Å; V256-Y290 WeakPolarHBondContact O-CA 3.22Å; F258-Y290 HydrophobicContact CD2-CE2 4.12Å
291	L	94.6	Very high	87	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.7	-176.1	-57.3	176.5	0	0	0	109.9	V228 L239 V243 L255 V256 L257 F258 L269 L293 I327	V228-L291 HydrophobicContact CG2-CD2 3.84Å; L239-L291 HydrophobicContact CD1-CB 4.11Å; L239-L291 HydrophobicContact CD1-CD2 4.1Å; V243-L291 HydrophobicContact CG1-CD2 3.88Å; L255-L291 HydrophobicContact CD1-CD1 4.07Å; L255-L291 HydrophobicContact CD1-CG 4.42Å; V256-L291 PolarHBondContact O-N 3.16Å; L257-L291 WeakPolarHBondContact CA-O 3.42Å; L257-L291 HydrophobicContact CD1-CB 4.22Å; F258-L291 PolarHBondContact N-O 3.11Å; L269-L291 HydrophobicContact CD2-CD1 4.16Å; L291-L293 HydrophobicContact CB-CD1 4.12Å; L291-I327 HydrophobicContact CD2-CD1 4.49Å
292	S	94.7	Very high	86.5	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.6	174.1	177.9	0	0	0	0	109.2	H183 K240 F258	H183-S292 PolarHBondContact CE1-OG 3.02Å; H183-S292 VanDerWaalsContact CE1-OG 3.31Å; K240-S292 PolarHBondContact N-O 3.15Å; K240-S292 WeakPolarHBondContact O-CA 3.27Å; K240-S292 WeakPolarHBondContact O-CB 3.38Å; K240-S292 PolarHBondContact O-N 2.83Å; F258-S292 WeakPolarHBondContact O-CA 3.46Å
293	L	91.8	Very high	86.1	Confident	2 Å²	2	47 Å²	47	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.7	176.2	-74.1	71.1	0	0	0	109.3	L239 L257 F258 I259 N260 L291 I295 V319	L239-L293 HydrophobicContact CD1-CD1 3.61Å; L239-L293 HydrophobicContact CD1-CG 4.14Å; L257-L293 HydrophobicContact CD1-CD1 3.73Å; F258-L293 PolarHBondContact O-N 2.93Å; I259-L293 WeakPolarHBondContact CA-O 3.42Å; N260-L293 PolarHBondContact N-O 2.85Å; L291-L293 HydrophobicContact CB-CD1 4.12Å; L293-I295 HydrophobicContact CB-CD1 4.38Å; L293-I295 HydrophobicContact CB-CG1 4.24Å; L293-I295 HydrophobicContact CD2-CD1 4.39Å; L293-V319 HydrophobicContact CD2-CG1 4.23Å
294	E	90.6	Very high	86	Confident	61 Å²	61	39.7 Å²	39.7	29%	0.285	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	108.9	168.7	-70	161.1	-155.8	0	0	107.3	Y237 T238 K240	Y237-E294 CarbonylContact C-O 3.4Å; Y237-E294 VanDerWaalsContact CA-O 3.27Å; Y237-E294 WeakPolarHBondContact CA-O 3.45Å; T238-E294 PolarHBondContact N-O 3.42Å; T238-E294 PolarHBondContact O-N 2.87Å; K240-E294 IonicContact NZ-OE1 2.88Å; K240-E294 PolarHBondContact NZ-OE1 2.84Å; K240-E294 IonicContact NZ-OE2 2.83Å; K240-E294 PolarHBondContact NZ-OE2 2.73Å
295	I	87.9	Confident	85.7	Confident	10 Å²	10	36 Å²	36	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.7	-177.6	-50.3	175.2	0	0	0	108	I259 N260 L293 N299 V300 F313	I259-I295 HydrophobicContact CG2-CD1 4.03Å; N260-I295 PolarHBondContact ND2-O 3.04Å; N260-I295 PolarHBondContact OD1-N 3.05Å; N260-I295 PolarHBondContact OD1-O 2.83Å; N260-I295 VanDerWaalsContact OD1-O 3.1Å; L293-I295 HydrophobicContact CB-CD1 4.38Å; L293-I295 HydrophobicContact CB-CG1 4.24Å; L293-I295 HydrophobicContact CD2-CD1 4.39Å; I295-N299 HydrophobicContact CG2-CB 4.1Å; I295-V300 HydrophobicContact CB-CG2 3.67Å; I295-V300 HydrophobicContact CD1-CG2 4.32Å; I295-V300 HydrophobicContact CG2-CG2 3.57Å; I295-F313 HydrophobicContact CD1-CB 4.39Å; I295-F313 HydrophobicContact CD1-CD1 4.44Å; I295-F313 HydrophobicContact CD1-CD2 3.79Å; I295-F313 HydrophobicContact CD1-CE2 4.1Å; I295-F313 HydrophobicContact CD1-CG 3.97Å
296	A	84.4	Confident	84.9	Confident	28 Å²	28	37.2 Å²	37.2	23%	0.231	20%	0.201	C	C	.	.			trans	-51.7	124.5	175.3	0	0	0	0	0	111.4	A236 Q298 N299	A236-A296 HydrophobicContact CB-CB 4.47Å; A236-A296 PolarHBondContact O-N 3.07Å; A296-Q298 HydrophobicContact CB-CG 4.18Å; A296-Q298 PolarHBondContact O-N 3.33Å; A296-Q298 VanDerWaalsContact O-N 3.09Å; A296-N299 WeakPolarHBondContact O-CB 3.49Å; A296-N299 PolarHBondContact O-N 2.86Å
297	P	79.2	Confident	84	Confident	61 Å²	61	35.3 Å²	35.3	40%	0.396	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-54.4	-35	-172.3	-30.8	36.3	0	0	0	114.8	N299 V300	P297-N299 PolarHBondContact O-N 3.48Å; P297-N299 VanDerWaalsContact O-N 3.1Å; P297-V300 PolarHBondContact O-N 3.48Å
298	Q	79.3	Confident	83.2	Confident	161 Å²	161	36.2 Å²	36.2	75%	0.752	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-57.7	-20.4	174.7	73.7	-165.3	18.7	0	0	114.7	A296	A296-Q298 HydrophobicContact CB-CG 4.18Å; A296-Q298 PolarHBondContact O-N 3.33Å; A296-Q298 VanDerWaalsContact O-N 3.09Å
299	N	82.2	Confident	82.3	Confident	33 Å²	33	38.4 Å²	38.4	18%	0.176	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-96.7	2.3	178.1	-68.5	4.6	0	0	0	112.5	I295 A296 P297 F313 L314	I295-N299 HydrophobicContact CG2-CB 4.1Å; A296-N299 WeakPolarHBondContact O-CB 3.49Å; A296-N299 PolarHBondContact O-N 2.86Å; P297-N299 PolarHBondContact O-N 3.48Å; P297-N299 VanDerWaalsContact O-N 3.1Å; N299-F313 CarbonylContact O-C 3.6Å; N299-F313 WeakPolarHBondContact O-CA 3.44Å; N299-F313 VanDerWaalsContact O-CB 3.31Å; N299-F313 WeakPolarHBondContact O-CB 3.08Å; N299-L314 HydrophobicContact CB-CB 4.22Å; N299-L314 PolarHBondContact O-N 2.82Å
300	V	82.9	Confident	81.6	Confident	17 Å²	17	43.2 Å²	43.2	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.6	-168.7	-174.2	0	0	0	0	111.4	I259 I295 P297 V302 V311 F313	I259-V300 HydrophobicContact CG2-CG1 4.46Å; I295-V300 HydrophobicContact CB-CG2 3.67Å; I295-V300 HydrophobicContact CD1-CG2 4.32Å; I295-V300 HydrophobicContact CG2-CG2 3.57Å; P297-V300 PolarHBondContact O-N 3.48Å; V300-V302 HydrophobicContact CG1-CG1 3.93Å; V300-V302 PolarHBondContact O-N 2.94Å; V300-V311 HydrophobicContact CG1-CG1 3.31Å; V300-F313 HydrophobicContact CB-CB 4.46Å; V300-F313 HydrophobicContact CG1-CB 4.49Å; V300-F313 HydrophobicContact CG2-CB 4.09Å
301	D	79.9	Confident	80.9	Confident	85 Å²	85	43.2 Å²	43.2	46%	0.455	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	104.4	170	-171.2	-1.7	0	0	0	110.7	N303 V304 H312	D301-N303 VanDerWaalsContact C-N 3.33Å; D301-N303 WeakPolarHBondContact OD1-CA 3.32Å; D301-N303 WeakPolarHBondContact OD1-CB 3.34Å; D301-N303 PolarHBondContact OD1-N 3.2Å; D301-V304 HydrophobicContact CB-CG2 4.25Å; D301-V304 WeakPolarHBondContact O-CG2 3.46Å; D301-H312 PolarHBondContact N-O 2.87Å; D301-H312 PolarHBondContact O-N 3.1Å
302	V	74.9	Confident	80.3	Confident	22 Å²	22	48.3 Å²	48.3	13%	0.133	25%	0.254	C	S	.	.			trans	-87.9	2.8	175.3	-60.5	0	0	0	0	113.6	I91 F96 V300	I91-V302 HydrophobicContact CD1-CG2 4.13Å; F96-V302 HydrophobicContact CE1-CG2 3.96Å; F96-V302 HydrophobicContact CZ-CG2 4.19Å; V300-V302 HydrophobicContact CG1-CG1 3.93Å; V300-V302 PolarHBondContact O-N 2.94Å
303	N	73.8	Confident	79.7	Confident	73 Å²	73	49.2 Å²	49.2	39%	0.39	26%	0.257	S	S	.	.			trans	-97.2	-6.1	-171.6	-161	49.6	0	0	0	113.9	R97 D301	R97-N303 PolarHBondContact NE-OD1 3.1Å; R97-N303 PolarHBondContact NH2-O 3.23Å; R97-N303 PolarHBondContact NH2-OD1 2.88Å; D301-N303 VanDerWaalsContact C-N 3.33Å; D301-N303 WeakPolarHBondContact OD1-CA 3.32Å; D301-N303 WeakPolarHBondContact OD1-CB 3.34Å; D301-N303 PolarHBondContact OD1-N 3.2Å
304	V	76	Confident	79.1	Confident	54 Å²	54	54 Å²	54	33%	0.327	28%	0.282	S	S	.	.	S	Bend	trans	-51.5	-61	-171.6	-178.4	0	0	0	0	114	D301 H312	D301-V304 HydrophobicContact CB-CG2 4.25Å; D301-V304 WeakPolarHBondContact O-CG2 3.46Å; V304-H312 HydrophobicContact CG2-CB 4.18Å
305	H	73.9	Confident	78.8	Confident	60 Å²	60	56.3 Å²	56.3	28%	0.278	29%	0.293	S	S	.	.	S	Bend	trans	-112.6	136.9	-173.4	-167.4	-100.3	0	0	0	112.7	T307 K308 E310	H305-T307 PolarHBondContact CE1-OG1 3.37Å; H305-T307 PolarHBondContact ND1-N 3.45Å; H305-T307 PolarHBondContact ND1-OG1 3.07Å; H305-T307 PolarHBondContact O-N 3.33Å; H305-K308 PolarHBondContact O-N 2.84Å; H305-E310 HydrophobicContact CB-CB 4.17Å
306	P	70.1	Confident	78.6	Confident	51 Å²	51	57.7 Å²	57.7	33%	0.331	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.8	-177.5	-29.4	36.3	0	0	0	116.3
307	T	70.9	Confident	78.8	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.031	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.5	178.3	70.7	0	0	0	0	114.2	Q23 N27 H305 H309	Q23-T307 HydrophobicContact CG-CG2 4.31Å; N27-T307 WeakPolarHBondContact ND2-CG2 3.49Å; H305-T307 PolarHBondContact CE1-OG1 3.37Å; H305-T307 PolarHBondContact ND1-N 3.45Å; H305-T307 PolarHBondContact ND1-OG1 3.07Å; H305-T307 PolarHBondContact O-N 3.33Å; T307-H309 PolarHBondContact O-N 2.83Å; T307-H309 PolarHBondContact OG1-CD2 3.02Å
308	K	75.3	Confident	79.2	Confident	21 Å²	21	61.9 Å²	61.9	9%	0.091	32%	0.318	C	S	.	.	S	Bend	trans	53	35.6	-174.7	-39.5	155.6	-178.6	161.5	0	114.1	K30 E31 E34 H305	K30-K308 PolarHBondContact NZ-O 3.04Å; E31-K308 WeakPolarHBondContact OE1-CD 3.36Å; E31-K308 VanDerWaalsContact OE1-CE 3.29Å; E31-K308 WeakPolarHBondContact OE1-CE 3.46Å; E31-K308 IonicContact OE1-NZ 2.72Å; E31-K308 PolarHBondContact OE1-NZ 3.5Å; E31-K308 IonicContact OE2-NZ 3.29Å; E31-K308 PolarHBondContact OE2-NZ 2.89Å; E34-K308 IonicContact OE2-NZ 2.78Å; E34-K308 PolarHBondContact OE2-NZ 2.94Å; H305-K308 PolarHBondContact O-N 2.84Å
309	H	75.3	Confident	79.5	Confident	46 Å²	46	54.4 Å²	54.4	21%	0.213	28%	0.283	C	S	.	.			trans	-90.9	-20.4	174.4	-69.1	-33	0	0	0	112.4	N27 K30 V264 E265 T307	N27-H309 PolarHBondContact OD1-NE2 2.99Å; K30-H309 VanDerWaalsContact CD-CE1 3.5Å; K30-H309 WeakPolarHBondContact CD-CE1 3.4Å; V264-H309 CarbonylContact C-O 3.47Å; V264-H309 WeakPolarHBondContact CA-O 3.38Å; V264-H309 WeakPolarHBondContact CG1-O 3.32Å; E265-H309 PolarHBondContact N-O 3.36Å; T307-H309 PolarHBondContact O-N 2.83Å; T307-H309 PolarHBondContact OG1-CD2 3.02Å
310	E	80.1	Confident	79.8	Confident	101 Å²	101	53.8 Å²	53.8	47%	0.472	28%	0.28	S	S	.	.			trans	-120	146	178.4	-64	175.3	156.2	0	0	109.5	H305	H305-E310 HydrophobicContact CB-CB 4.17Å
311	V	81.4	Confident	80.1	Confident	12 Å²	12	58.8 Å²	58.8	7%	0.073	30%	0.302	C	S	.	.			trans	-147.3	133	-176.9	170.8	0	0	0	0	107.1	V264 V300	V264-V311 HydrophobicContact CG1-CB 4.19Å; V264-V311 HydrophobicContact CG1-CG2 4.32Å; V264-V311 HydrophobicContact CG2-CB 4.22Å; V264-V311 HydrophobicContact CG2-CG2 3.63Å; V300-V311 HydrophobicContact CG1-CG1 3.31Å
312	H	82.3	Confident	80.6	Confident	106 Å²	106	56.5 Å²	56.5	49%	0.491	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	151.6	171.9	-72.4	-50.5	0	0	0	110.5	D301 V304 E316	D301-H312 PolarHBondContact N-O 2.87Å; D301-H312 PolarHBondContact O-N 3.1Å; V304-H312 HydrophobicContact CG2-CB 4.18Å; H312-E316 IonicContact ND1-OE2 2.95Å; H312-E316 PolarHBondContact ND1-OE2 3.09Å
313	F	81.1	Confident	81.3	Confident	24 Å²	24	55.5 Å²	55.5	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.7	178.8	54.9	-82.2	0	0	0	112.4	I259 I295 N299 V300 H315 E316 V319	I259-F313 HydrophobicContact CD1-CD1 4.39Å; I259-F313 HydrophobicContact CD1-CE1 4.06Å; I295-F313 HydrophobicContact CD1-CB 4.39Å; I295-F313 HydrophobicContact CD1-CD1 4.44Å; I295-F313 HydrophobicContact CD1-CD2 3.79Å; I295-F313 HydrophobicContact CD1-CE2 4.1Å; I295-F313 HydrophobicContact CD1-CG 3.97Å; N299-F313 CarbonylContact O-C 3.6Å; N299-F313 WeakPolarHBondContact O-CA 3.44Å; N299-F313 VanDerWaalsContact O-CB 3.31Å; N299-F313 WeakPolarHBondContact O-CB 3.08Å; V300-F313 HydrophobicContact CB-CB 4.46Å; V300-F313 HydrophobicContact CG1-CB 4.49Å; V300-F313 HydrophobicContact CG2-CB 4.09Å; F313-H315 PolarHBondContact O-N 2.87Å; F313-E316 HydrophobicContact CD2-CB 4.33Å; F313-E316 HydrophobicContact CE1-CG 3.96Å; F313-E316 HydrophobicContact CE2-CB 4.1Å; F313-E316 HydrophobicContact CE2-CG 4.15Å; F313-E316 HydrophobicContact CZ-CB 4.18Å; F313-E316 HydrophobicContact CZ-CG 3.73Å; F313-E316 PolarHBondContact O-N 3.1Å; F313-V319 HydrophobicContact CE2-CB 3.87Å; F313-V319 HydrophobicContact CE2-CG1 3.95Å; F313-V319 HydrophobicContact CE2-CG2 4.14Å
314	L	80.7	Confident	82.1	Confident	102 Å²	102	54.5 Å²	54.5	53%	0.534	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	133.7	-175.7	-163.8	71.4	0	0	0	110.4	N299	N299-L314 HydrophobicContact CB-CB 4.22Å; N299-L314 PolarHBondContact O-N 2.82Å
315	H	83.3	Confident	82.7	Confident	110 Å²	110	58.5 Å²	58.5	51%	0.509	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	36.3	-175.3	-49.4	-69.4	0	0	0	114.8	L235 F313 D317 S318 V319	L235-H315 HydrophobicContact CD2-CB 3.96Å; F313-H315 PolarHBondContact O-N 2.87Å; H315-D317 VanDerWaalsContact C-N 3.3Å; H315-D317 PolarHBondContact O-N 2.82Å; H315-S318 PolarHBondContact O-N 2.86Å; H315-V319 PolarHBondContact O-N 3.16Å
316	E	84.7	Confident	83.5	Confident	39 Å²	39	58.5 Å²	58.5	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-44.7	-49.5	178	-176.7	162.2	-177.4	0	0	112.8	H312 F313 S318 V319 M320	H312-E316 IonicContact ND1-OE2 2.95Å; H312-E316 PolarHBondContact ND1-OE2 3.09Å; F313-E316 HydrophobicContact CD2-CB 4.33Å; F313-E316 HydrophobicContact CE1-CG 3.96Å; F313-E316 HydrophobicContact CE2-CB 4.1Å; F313-E316 HydrophobicContact CE2-CG 4.15Å; F313-E316 HydrophobicContact CZ-CB 4.18Å; F313-E316 HydrophobicContact CZ-CG 3.73Å; F313-E316 PolarHBondContact O-N 3.1Å; E316-S318 PolarHBondContact O-N 2.89Å; E316-V319 PolarHBondContact O-N 3.42Å; E316-M320 HydrophobicContact CG-CE 4.06Å; E316-M320 HydrophobicContact CG-SD 4.43Å; E316-M320 WeakPolarHBondContact O-CG 3.41Å; E316-M320 PolarHBondContact O-N 2.85Å
317	D	87.4	Confident	84.5	Confident	126 Å²	126	56.1 Å²	56.1	67%	0.674	28%	0.277	S	S	*	.	H	α-helix	trans	-59.1	-45.5	178.2	-59.2	-53	0	0	0	113.8	H315 V319 M320 E321	H315-D317 VanDerWaalsContact C-N 3.3Å; H315-D317 PolarHBondContact O-N 2.82Å; D317-V319 VanDerWaalsContact C-N 3.35Å; D317-V319 PolarHBondContact O-N 2.79Å; D317-M320 PolarHBondContact O-N 2.91Å; D317-E321 PolarHBondContact O-N 2.8Å
318	S	87.6	Confident	85.5	Confident	51 Å²	51	60 Å²	60	36%	0.357	30%	0.295	S	S	.	.	H	α-helix	trans	-70	-32.5	-178.1	-52.2	0	0	0	0	112.5	H315 E316 S322	H315-S318 PolarHBondContact O-N 2.86Å; E316-S318 PolarHBondContact O-N 2.89Å; S318-S322 WeakPolarHBondContact O-CB 3.39Å; S318-S322 PolarHBondContact O-N 2.82Å; S318-S322 VanDerWaalsContact O-N 3.16Å
319	V	86.9	Confident	86.1	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-70.4	-42.3	171.8	176.2	0	0	0	0	110	L235 Y237 L293 F313 H315 E316 D317 S322 V323	L235-V319 HydrophobicContact CB-CG2 4.37Å; L235-V319 HydrophobicContact CD1-CG2 4.12Å; Y237-V319 HydrophobicContact CD1-CG1 4.25Å; Y237-V319 HydrophobicContact CD1-CG2 4.05Å; Y237-V319 HydrophobicContact CD2-CG1 4.27Å; Y237-V319 HydrophobicContact CE1-CG1 4.17Å; Y237-V319 HydrophobicContact CE1-CG2 4.22Å; Y237-V319 HydrophobicContact CE2-CG1 4.2Å; Y237-V319 HydrophobicContact CG-CG1 4.31Å; L293-V319 HydrophobicContact CD2-CG1 4.23Å; F313-V319 HydrophobicContact CE2-CB 3.87Å; F313-V319 HydrophobicContact CE2-CG1 3.95Å; F313-V319 HydrophobicContact CE2-CG2 4.14Å; H315-V319 PolarHBondContact O-N 3.16Å; E316-V319 PolarHBondContact O-N 3.42Å; D317-V319 VanDerWaalsContact C-N 3.35Å; D317-V319 PolarHBondContact O-N 2.79Å; V319-S322 PolarHBondContact O-N 3.07Å; V319-V323 HydrophobicContact CG1-CG2 4.35Å; V319-V323 WeakPolarHBondContact O-CB 3.47Å; V319-V323 VanDerWaalsContact O-CG2 3.26Å; V319-V323 WeakPolarHBondContact O-CG2 3.38Å; V319-V323 PolarHBondContact O-N 2.83Å
320	M	87.9	Confident	86.8	Confident	21 Å²	21	63.7 Å²	63.7	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-47.1	175.4	-73.1	-169.1	-62.6	0	0	112.1	A268 L269 E316 D317 S322 V323 Q324	A268-M320 HydrophobicContact CB-CE 4.01Å; A268-M320 HydrophobicContact CB-SD 3.58Å; A268-M320 VanDerWaalsContact CB-SD 3.58Å; L269-M320 HydrophobicContact CB-SD 4.32Å; L269-M320 HydrophobicContact CD1-CG 4.09Å; E316-M320 HydrophobicContact CG-CE 4.06Å; E316-M320 HydrophobicContact CG-SD 4.43Å; E316-M320 WeakPolarHBondContact O-CG 3.41Å; E316-M320 PolarHBondContact O-N 2.85Å; D317-M320 PolarHBondContact O-N 2.91Å; M320-S322 VanDerWaalsContact C-N 3.34Å; M320-S322 PolarHBondContact O-N 2.82Å; M320-V323 PolarHBondContact O-N 3.5Å; M320-Q324 WeakPolarHBondContact O-CG 3.42Å; M320-Q324 PolarHBondContact O-N 2.82Å
321	E	89.1	Confident	87.1	Confident	121 Å²	121	59.1 Å²	59.1	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-57.8	-45.9	176.6	-172.2	-168.6	167.5	0	0	111.4	D317 V323 Q324 K325	D317-E321 PolarHBondContact O-N 2.8Å; E321-V323 PolarHBondContact O-N 3.36Å; E321-Q324 PolarHBondContact O-N 2.97Å; E321-K325 WeakPolarHBondContact O-CB 3.07Å; E321-K325 PolarHBondContact O-N 2.76Å
322	S	89.3	Confident	87.2	Confident	38 Å²	38	63 Å²	63	27%	0.266	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-39.3	177.7	-174.3	0	0	0	0	112.5	Y237 S318 V319 M320 H326	Y237-S322 VanDerWaalsContact OH-CB 3.27Å; Y237-S322 WeakPolarHBondContact OH-CB 3.46Å; Y237-S322 PolarHBondContact OH-OG 2.86Å; S318-S322 WeakPolarHBondContact O-CB 3.39Å; S318-S322 PolarHBondContact O-N 2.82Å; S318-S322 VanDerWaalsContact O-N 3.16Å; V319-S322 PolarHBondContact O-N 3.07Å; M320-S322 VanDerWaalsContact C-N 3.34Å; M320-S322 PolarHBondContact O-N 2.82Å; S322-H326 WeakPolarHBondContact O-CB 3.27Å; S322-H326 PolarHBondContact O-N 2.97Å
323	V	90.1	Very high	86.6	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-44.1	175.2	172	0	0	0	0	111.4	Y237 L239 L269 V319 M320 E321 H326 I327	Y237-V323 HydrophobicContact CE2-CG2 4.23Å; L239-V323 HydrophobicContact CD2-CG1 4.26Å; L239-V323 HydrophobicContact CD2-CG2 4.3Å; L269-V323 HydrophobicContact CD1-CB 4.48Å; L269-V323 HydrophobicContact CD1-CG1 4.09Å; V319-V323 HydrophobicContact CG1-CG2 4.35Å; V319-V323 WeakPolarHBondContact O-CB 3.47Å; V319-V323 VanDerWaalsContact O-CG2 3.26Å; V319-V323 WeakPolarHBondContact O-CG2 3.38Å; V319-V323 PolarHBondContact O-N 2.83Å; M320-V323 PolarHBondContact O-N 3.5Å; E321-V323 PolarHBondContact O-N 3.36Å; V323-H326 PolarHBondContact O-N 3.01Å; V323-I327 HydrophobicContact CG1-CD1 3.82Å; V323-I327 WeakPolarHBondContact O-CG1 3.42Å; V323-I327 PolarHBondContact O-N 2.93Å
324	Q	90.6	Very high	85.8	Confident	52 Å²	52	61.1 Å²	61.1	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-55.6	-54	174.4	-76.3	177.9	-66.5	0	0	111	A272 V276 M320 E321 H326 I327 E328	A272-Q324 HydrophobicContact CB-CG 3.86Å; A272-Q324 PolarHBondContact O-NE2 3.44Å; V276-Q324 HydrophobicContact CG2-CB 3.91Å; V276-Q324 HydrophobicContact CG2-CG 4.04Å; M320-Q324 WeakPolarHBondContact O-CG 3.42Å; M320-Q324 PolarHBondContact O-N 2.82Å; E321-Q324 PolarHBondContact O-N 2.97Å; Q324-H326 VanDerWaalsContact C-N 3.28Å; Q324-H326 PolarHBondContact O-N 3.02Å; Q324-I327 PolarHBondContact O-N 2.8Å; Q324-I327 VanDerWaalsContact O-N 3.13Å; Q324-E328 WeakPolarHBondContact O-CB 3.43Å; Q324-E328 PolarHBondContact O-N 2.78Å
325	K	89.9	Confident	84.6	Confident	137 Å²	137	59.8 Å²	59.8	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-61.8	-34.4	-178	-170.8	171.7	-170.8	164.6	0	112.9	E321 S329	E321-K325 WeakPolarHBondContact O-CB 3.07Å; E321-K325 PolarHBondContact O-N 2.76Å; K325-S329 VanDerWaalsContact O-CB 3.27Å; K325-S329 WeakPolarHBondContact O-CB 3.22Å; K325-S329 PolarHBondContact O-N 2.75Å
326	H	90.6	Very high	82.7	Confident	61 Å²	61	59.7 Å²	59.7	28%	0.282	33%	0.332	S	S	.	.	H	α-helix	trans	-70.9	-40.4	174.6	-172.5	72.2	0	0	0	112.4	G229 S322 V323 Q324 K330	G229-H326 PolarHBondContact O-NE2 3.03Å; S322-H326 WeakPolarHBondContact O-CB 3.27Å; S322-H326 PolarHBondContact O-N 2.97Å; V323-H326 PolarHBondContact O-N 3.01Å; Q324-H326 VanDerWaalsContact C-N 3.28Å; Q324-H326 PolarHBondContact O-N 3.02Å; H326-K330 WeakPolarHBondContact O-CB 3.26Å; H326-K330 VanDerWaalsContact O-CG 3.26Å; H326-K330 WeakPolarHBondContact O-CG 3.38Å; H326-K330 PolarHBondContact O-N 2.87Å; H326-K330 VanDerWaalsContact O-N 3.08Å
327	I	90.9	Very high	80.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.8	-45.6	175	-70	168.8	0	0	0	110.5	V228 V243 V273 V276 Y277 L291 V323 Q324 S329 K330 L331	V228-I327 HydrophobicContact CG1-CG1 4.44Å; V243-I327 HydrophobicContact CG1-CD1 4.47Å; V273-I327 HydrophobicContact CG1-CD1 4.09Å; V273-I327 HydrophobicContact CG2-CD1 3.82Å; V276-I327 HydrophobicContact CG1-CG2 4.46Å; Y277-I327 HydrophobicContact CE2-CG2 3.76Å; L291-I327 HydrophobicContact CD2-CD1 4.49Å; V323-I327 HydrophobicContact CG1-CD1 3.82Å; V323-I327 WeakPolarHBondContact O-CG1 3.42Å; V323-I327 PolarHBondContact O-N 2.93Å; Q324-I327 PolarHBondContact O-N 2.8Å; Q324-I327 VanDerWaalsContact O-N 3.13Å; I327-S329 PolarHBondContact O-N 3.08Å; I327-K330 WeakPolarHBondContact O-CB 3.36Å; I327-K330 PolarHBondContact O-N 3.43Å; I327-K330 VanDerWaalsContact O-N 3.15Å; I327-L331 HydrophobicContact CG2-CD1 3.99Å; I327-L331 HydrophobicContact CG2-CG 4.41Å; I327-L331 WeakPolarHBondContact O-CG 3.38Å; I327-L331 PolarHBondContact O-N 3.31Å
328	E	90.6	Very high	78.2	Confident	86 Å²	86	63 Å²	63	40%	0.402	35%	0.345	S	S	.	.	H	α-helix	trans	-56.4	-51	174.8	-177.2	-174.6	-154.7	0	0	111.5	V276 Q324 K330 L331 L332	V276-E328 HydrophobicContact CG1-CB 3.89Å; V276-E328 HydrophobicContact CG1-CG 4.45Å; Q324-E328 WeakPolarHBondContact O-CB 3.43Å; Q324-E328 PolarHBondContact O-N 2.78Å; E328-K330 PolarHBondContact O-N 3.26Å; E328-L331 PolarHBondContact O-N 3.18Å; E328-L332 HydrophobicContact CG-CD1 4.13Å; E328-L332 WeakPolarHBondContact O-CG 3.12Å; E328-L332 PolarHBondContact O-N 2.84Å
329	S	89.1	Confident	75.5	Confident	76 Å²	76	65 Å²	65	53%	0.531	36%	0.356	S	S	.	.	H	α-helix	trans	-58.6	-34	176.6	178.5	0	0	0	0	112.9	K325 I327 G333	K325-S329 VanDerWaalsContact O-CB 3.27Å; K325-S329 WeakPolarHBondContact O-CB 3.22Å; K325-S329 PolarHBondContact O-N 2.75Å; I327-S329 PolarHBondContact O-N 3.08Å; S329-G333 PolarHBondContact O-N 2.79Å
330	K	88.7	Confident	72.8	Confident	69 Å²	69	73 Å²	73	30%	0.3	39%	0.386	S	S	.	.	H	α-helix	trans	-74.5	-40.9	176.5	-77.5	-85	-175.9	156.5	0	112.6	I226 E227 V228 H326 I327 E328 G333 S334	I226-K330 HydrophobicContact CG2-CB 4.27Å; I226-K330 HydrophobicContact CG2-CD 4.07Å; E227-K330 WeakPolarHBondContact O-CE 3.34Å; E227-K330 PolarHBondContact O-NZ 3.01Å; V228-K330 HydrophobicContact CG1-CB 4.39Å; V228-K330 HydrophobicContact CG1-CG 4.22Å; H326-K330 WeakPolarHBondContact O-CB 3.26Å; H326-K330 VanDerWaalsContact O-CG 3.26Å; H326-K330 WeakPolarHBondContact O-CG 3.38Å; H326-K330 PolarHBondContact O-N 2.87Å; H326-K330 VanDerWaalsContact O-N 3.08Å; I327-K330 WeakPolarHBondContact O-CB 3.36Å; I327-K330 PolarHBondContact O-N 3.43Å; I327-K330 VanDerWaalsContact O-N 3.15Å; E328-K330 PolarHBondContact O-N 3.26Å; K330-G333 PolarHBondContact O-N 3.29Å; K330-S334 PolarHBondContact O-N 3.36Å; K330-S334 PolarHBondContact O-OG 2.87Å
331	L	86.3	Confident	70.1	Confident	5 Å²	5	80.1 Å²	80.1	3%	0.026	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-46.2	174.6	-71.4	169.7	0	0	0	111.5	I226 V276 Y277 Y280 I327 E328 G333 S334 N335	I226-L331 HydrophobicContact CD1-CD2 4.1Å; V276-L331 HydrophobicContact CG1-CD1 4.1Å; Y277-L331 HydrophobicContact CD1-CD1 4.16Å; Y277-L331 HydrophobicContact CD2-CD1 4.28Å; Y277-L331 HydrophobicContact CE1-CD1 3.85Å; Y277-L331 HydrophobicContact CE1-CD2 3.72Å; Y277-L331 HydrophobicContact CE1-CG 4.41Å; Y277-L331 HydrophobicContact CE2-CD1 3.98Å; Y277-L331 HydrophobicContact CG-CD1 4.39Å; Y280-L331 HydrophobicContact CD2-CD1 3.85Å; Y280-L331 HydrophobicContact CE2-CB 4.36Å; Y280-L331 HydrophobicContact CE2-CD1 4.02Å; I327-L331 HydrophobicContact CG2-CD1 3.99Å; I327-L331 HydrophobicContact CG2-CG 4.41Å; I327-L331 WeakPolarHBondContact O-CG 3.38Å; I327-L331 PolarHBondContact O-N 3.31Å; E328-L331 PolarHBondContact O-N 3.18Å; L331-G333 VanDerWaalsContact C-N 3.34Å; L331-G333 PolarHBondContact O-N 3.4Å; L331-S334 PolarHBondContact O-N 3.07Å; L331-N335 PolarHBondContact O-N 3.49Å; L331-N335 VanDerWaalsContact O-N 3.14Å
332	L	83.3	Confident	67.2	Low	95 Å²	95	80.4 Å²	80.4	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-58.5	-45	173.4	-70.8	169.3	0	0	0	111.7	Y280 E328 S334 N335	Y280-L332 HydrophobicContact CE1-CD2 4.11Å; Y280-L332 WeakPolarHBondContact OH-CD2 3.45Å; Y280-L332 WeakPolarHBondContact OH-CG 3.44Å; E328-L332 HydrophobicContact CG-CD1 4.13Å; E328-L332 WeakPolarHBondContact O-CG 3.12Å; E328-L332 PolarHBondContact O-N 2.84Å; L332-S334 PolarHBondContact O-N 3.2Å; L332-N335 PolarHBondContact O-N 3.32Å
333	G	71.4	Confident	64.5	Low	45 Å²	45	87.4 Å²	87.4	46%	0.464	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-42.6	176.9	0	0	0	0	0	113.6	S329 K330 L331 N335 S336	S329-G333 PolarHBondContact O-N 2.79Å; K330-G333 PolarHBondContact O-N 3.29Å; L331-G333 VanDerWaalsContact C-N 3.34Å; L331-G333 PolarHBondContact O-N 3.4Å; G333-N335 VanDerWaalsContact C-N 3.34Å; G333-N335 PolarHBondContact O-N 3.05Å; G333-S336 PolarHBondContact O-OG 3.48Å
334	S	63.5	Low	61.7	Low	45 Å²	45	93.5 Å²	93.5	32%	0.315	49%	0.493	S	S	.	.	H	α-helix	trans	-74	-19.5	179.2	-69.6	0	0	0	0	114.4	I226 K330 L331 L332 S336 S337	I226-S334 WeakPolarHBondContact CD1-OG 3.12Å; K330-S334 PolarHBondContact O-N 3.36Å; K330-S334 PolarHBondContact O-OG 2.87Å; L331-S334 PolarHBondContact O-N 3.07Å; L332-S334 PolarHBondContact O-N 3.2Å; S334-S336 PolarHBondContact O-N 2.86Å; S334-S337 PolarHBondContact O-N 2.76Å
335	N	55.2	Low	58.8	Low	74 Å²	74	98.8 Å²	98.8	40%	0.396	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.9	178.5	-117.6	-5.1	0	0	0	113.8	L331 L332 G333 S337	L331-N335 PolarHBondContact O-N 3.49Å; L331-N335 VanDerWaalsContact O-N 3.14Å; L332-N335 PolarHBondContact O-N 3.32Å; G333-N335 VanDerWaalsContact C-N 3.34Å; G333-N335 PolarHBondContact O-N 3.05Å; N335-S337 PolarHBondContact O-N 2.72Å
336	S	42.7	Very low	56	Low	107 Å²	107	100 Å²	100	75%	0.748	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-10.6	176.8	63	0	0	0	0	114.8	G333 S334	G333-S336 PolarHBondContact O-OG 3.48Å; S334-S336 PolarHBondContact O-N 2.86Å
337	S	39.3	Very low	53.6	Low	74 Å²	74	102.9 Å²	102.9	52%	0.517	56%	0.558	S	S	.	*			trans	-131.9	80.2	-179.5	60.7	0	0	0	0	112.2	S334 N335 T339	S334-S337 PolarHBondContact O-N 2.76Å; N335-S337 PolarHBondContact O-N 2.72Å; S337-T339 VanDerWaalsContact C-N 3.32Å; S337-T339 PolarHBondContact O-N 3.37Å
338	R	38.3	Very low	50.9	Low	161 Å²	161	106.6 Å²	106.6	61%	0.608	60%	0.597	S	S	*	*			trans	-77.4	79.9	172.5	-59	-174.2	83	-174.1	8.1	110.5	Y340	R338-Y340 HydrophobicContact CB-CD2 4.49Å; R338-Y340 HydrophobicContact CB-CE2 4.07Å; R338-Y340 WeakPolarHBondContact O-CD2 3.22Å; R338-Y340 PolarHBondContact O-N 3.24Å
339	T	31.8	Very low	48	Very low	94 Å²	94	111 Å²	111	58%	0.577	62%	0.622	S	S	*	*			trans	-75.4	88.6	-179.8	-51.4	0	0	0	0	111.4	S337 F341	S337-T339 VanDerWaalsContact C-N 3.32Å; S337-T339 PolarHBondContact O-N 3.37Å; T339-F341 HydrophobicContact CG2-CE2 4.39Å; T339-F341 HydrophobicContact CG2-CZ 4.32Å; T339-F341 PolarHBondContact O-N 3.03Å
340	Y	30.6	Very low	45.1	Very low	170 Å²	170	112.3 Å²	112.3	67%	0.667	63%	0.632	S	S	*	*			trans	-68.5	114.8	165.5	-68.9	-89.8	0	0	0	109.4	R338 T342	R338-Y340 HydrophobicContact CB-CD2 4.49Å; R338-Y340 HydrophobicContact CB-CE2 4.07Å; R338-Y340 WeakPolarHBondContact O-CD2 3.22Å; R338-Y340 PolarHBondContact O-N 3.24Å; Y340-T342 VanDerWaalsContact C-N 3.34Å; Y340-T342 PolarHBondContact O-N 3.35Å
341	F	30.7	Very low	42.3	Very low	172 Å²	172	116.2 Å²	116.2	75%	0.754	66%	0.661	S	S	*	*			trans	-74.9	85.2	174.4	-74.8	-81.4	0	0	0	110.6	T339 Q343	T339-F341 HydrophobicContact CG2-CE2 4.39Å; T339-F341 HydrophobicContact CG2-CZ 4.32Å; T339-F341 PolarHBondContact O-N 3.03Å; F341-Q343 PolarHBondContact O-N 2.92Å
342	T	27.7	Very low	39.8	Very low	127 Å²	127	121.1 Å²	121.1	78%	0.779	70%	0.695	S	S	*	*			trans	-60.6	106.2	162.3	52	0	0	0	0	108.6	Y340 T344	Y340-T342 VanDerWaalsContact C-N 3.34Å; Y340-T342 PolarHBondContact O-N 3.35Å; T342-T344 PolarHBondContact O-N 2.9Å
343	Q	33.5	Very low	37.2	Very low	185 Å²	185	120.4 Å²	120.4	86%	0.864	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-65.2	123.8	176.9	-176	168.7	-12.3	0	0	109.2	F341 L345	F341-Q343 PolarHBondContact O-N 2.92Å; Q343-L345 PolarHBondContact O-N 2.95Å
344	T	30.4	Very low	35.1	Very low	128 Å²	128	122 Å²	122	79%	0.785	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-60	123.9	-172	-40.7	0	0	0	0	111.3	T342 L346	T342-T344 PolarHBondContact O-N 2.9Å; T344-L346 PolarHBondContact O-N 3.48Å
345	L	31.2	Very low	33.4	Very low	164 Å²	164	125.2 Å²	125.2	86%	0.859	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-55.4	132.8	173.1	-67.6	167.9	0	0	0	110.2	Q343	Q343-L345 PolarHBondContact O-N 2.95Å
346	L	30.9	Very low	32.1	Very low	163 Å²	163	129.7 Å²	129.7	85%	0.853	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-77.8	143.9	172.3	-79.2	166.9	0	0	0	110.2	T344	T344-L346 PolarHBondContact O-N 3.48Å
347	P	39.3	Very low	31.4	Very low	120 Å²	120	130 Å²	130	78%	0.779	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-65	144.8	177.5	28.1	-34.5	0	0	0	111.2
348	G	34.9	Very low	30.8	Very low	79 Å²	79	136.5 Å²	136.5	81%	0.814	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65.1	151.4	-164.1	0	0	0	0	0	116.1
349	L	28.9	Very low	30.2	Very low	177 Å²	177	135.1 Å²	135.1	93%	0.927	80%	0.8	S	S	*	*			trans	-87.2	115.7	170.5	-86.7	161.6	0	0	0	110.5
350	S	28.9	Very low	29.9	Very low	105 Å²	105	136.2 Å²	136.2	73%	0.734	81%	0.811	S	S	*	*			trans	-68.7	131.3	172.4	53.4	0	0	0	0	111.5	S352	S350-S352 PolarHBondContact O-N 2.67Å
351	V	30.4	Very low	29.7	Very low	150 Å²	150	132 Å²	132	91%	0.909	82%	0.82	S	S	*	*			trans	-71.7	123.8	171	-180	0	0	0	0	109.9
352	S	32.8	Very low	29.5	Very low	108 Å²	108	129.4 Å²	129.4	76%	0.755	82%	0.823	S	S	*	*			trans	-146.1	100.1	167	59.3	0	0	0	0	110.3	S350	S350-S352 PolarHBondContact O-N 2.67Å
353	G	28.1	Very low	29.4	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	82%	0.824	S	S	*	*			trans	-77.1	145.3	165	0	0	0	0	0	110.6
354	G	28	Very low	29.5	Very low	79 Å²	79	130 Å²	130	81%	0.814	83%	0.83	S	S	*	*			trans	-174.1	108.2	178.7	0	0	0	0	0	109.9
355	S	27.8	Very low	29.4	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	83%	0.825	S	S	*	*			trans	-78.3	141.1	179.1	54.5	0	0	0	0	111.5
356	D	28.4	Very low	29.5	Very low	167 Å²	167	125.8 Å²	125.8	89%	0.893	83%	0.825	S	S	*	*			trans	-147.1	139.4	140.9	-134.8	-23.3	0	0	0	110.6
357	V	28	Very low	29.6	Very low	113 Å²	113	126.3 Å²	126.3	69%	0.685	82%	0.823	S	S	*	*			trans	-120.2	130.2	-171.8	174	0	0	0	0	109.6
358	K	27	Very low	29.5	Very low	212 Å²	212	131 Å²	131	92%	0.922	83%	0.826	S	S	*	*			trans	-139.4	118.7	159.5	-106.3	166.2	-170	166.9	0	112.1
359	T	24.4	Very low	29.9	Very low	132 Å²	132	130.8 Å²	130.8	81%	0.81	81%	0.808	S	S	*	*			trans	-95.1	141.2	-176.4	-11.9	0	0	0	0	110.9
360	S	26.9	Very low	30.8	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	79%	0.792	S	S	*	*			trans	-160.6	127.8	162.7	60.7	0	0	0	0	113.7
361	G	26.2	Very low	31.9	Very low	82 Å²	82	127 Å²	127	85%	0.845	78%	0.779	S	S	*	*			trans	80.7	99.4	147.8	0	0	0	0	0	117.3
362	S	25.3	Very low	32.9	Very low	117 Å²	117	122.5 Å²	122.5	82%	0.818	75%	0.747	S	S	*	*			trans	-71	139.9	167	51.2	0	0	0	0	112.9
363	S	25.6	Very low	33.5	Very low	116 Å²	116	121.8 Å²	121.8	81%	0.811	73%	0.732	S	S	*	*			trans	-158.6	123.8	146.4	-76.5	0	0	0	0	109.2	S365	S363-S365 PolarHBondContact O-N 2.96Å
364	E	36.8	Very low	34.5	Very low	208 Å²	208	123.9 Å²	123.9	97%	0.972	72%	0.722	S	S	*	*			trans	-69.4	117.1	175.9	-67.8	-179.3	130	0	0	109.5
365	S	26.7	Very low	35.6	Very low	99 Å²	99	121.9 Å²	121.9	69%	0.692	69%	0.694	S	S	*	*			trans	-137.4	134.7	161.1	66.6	0	0	0	0	106.9	S363 E367	S363-S365 PolarHBondContact O-N 2.96Å; S365-E367 PolarHBondContact O-N 3.49Å
366	A	34.6	Very low	37	Very low	104 Å²	104	122.3 Å²	122.3	86%	0.86	68%	0.678	S	S	*	*			trans	-61.6	110.2	-178.5	0	0	0	0	0	109.1	R368	A366-R368 PolarHBondContact O-N 2.9Å; A366-R368 VanDerWaalsContact O-N 3.17Å
367	E	32.4	Very low	37.7	Very low	175 Å²	175	120.4 Å²	120.4	82%	0.818	67%	0.673	S	S	*	*			trans	-58.6	123.7	-178.4	-72.4	-163	126.1	0	0	109.6	S365 V369	S365-E367 PolarHBondContact O-N 3.49Å; E367-V369 PolarHBondContact O-N 2.98Å
368	R	38.3	Very low	38.4	Very low	218 Å²	218	119 Å²	119	82%	0.823	66%	0.662	S	S	*	*			trans	-69.1	90.3	166.3	-78	-177.9	170.2	177.5	-3	107.6	A366 Y370	A366-R368 PolarHBondContact O-N 2.9Å; A366-R368 VanDerWaalsContact O-N 3.17Å; R368-Y370 WeakPolarHBondContact O-CD2 3.33Å; R368-Y370 WeakPolarHBondContact O-CE2 3.34Å; R368-Y370 PolarHBondContact O-N 2.77Å
369	V	42.2	Very low	39.3	Very low	75 Å²	75	113.7 Å²	113.7	46%	0.455	65%	0.65	S	S	.	*			trans	-49.8	108.2	168.5	-178.2	0	0	0	0	107.4	E367 Q373 M374	E367-V369 PolarHBondContact O-N 2.98Å; V369-Q373 HydrophobicContact CG1-CB 3.86Å; V369-M374 HydrophobicContact CB-CE 4.46Å; V369-M374 HydrophobicContact CG1-CG 3.87Å
370	Y	48.2	Very low	40.3	Very low	147 Å²	147	118 Å²	118	58%	0.576	65%	0.651	S	S	*	*			trans	-68.6	153.6	-177.2	-69.6	-89.4	0	0	0	109.2	R368 H372 Q373 M374	R368-Y370 WeakPolarHBondContact O-CD2 3.33Å; R368-Y370 WeakPolarHBondContact O-CE2 3.34Å; R368-Y370 PolarHBondContact O-N 2.77Å; Y370-H372 PolarHBondContact O-N 2.93Å; Y370-Q373 WeakPolarHBondContact O-CA 3.45Å; Y370-Q373 WeakPolarHBondContact O-CB 3.39Å; Y370-Q373 PolarHBondContact O-N 3.16Å; Y370-M374 PolarHBondContact O-N 3.26Å
371	A	52.3	Low	41.6	Very low	56 Å²	56	114.9 Å²	114.9	46%	0.463	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-56.6	-28.6	-178.2	0	0	0	0	0	113.2	Q373 M374 Y723	A371-Q373 PolarHBondContact O-N 3.32Å; A371-M374 PolarHBondContact O-N 3.13Å; A371-Y723 HydrophobicContact CB-CE2 3.92Å
372	H	50.4	Low	42.9	Very low	54 Å²	54	116.6 Å²	116.6	25%	0.25	62%	0.616	C	S	.	*	G	3₁₀ helix	trans	-73.5	-3.6	174.2	74.6	-102	0	0	0	115	Y370 L719 Y723	Y370-H372 PolarHBondContact O-N 2.93Å; H372-L719 VanDerWaalsContact C-CD2 3.48Å; H372-L719 WeakPolarHBondContact O-CD2 3.47Å; H372-Y723 HydrophobicContact CB-CD1 3.91Å; H372-Y723 HydrophobicContact CB-CD2 3.66Å; H372-Y723 HydrophobicContact CB-CE1 4.37Å; H372-Y723 HydrophobicContact CB-CE2 4.15Å; H372-Y723 HydrophobicContact CB-CG 3.52Å
373	Q	46.4	Very low	44.9	Very low	94 Å²	94	114.3 Å²	114.3	44%	0.439	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-114.6	-9.2	178.3	-54.9	176.2	-12.6	0	0	111.8	V369 Y370 A371 V375	V369-Q373 HydrophobicContact CG1-CB 3.86Å; Y370-Q373 WeakPolarHBondContact O-CA 3.45Å; Y370-Q373 WeakPolarHBondContact O-CB 3.39Å; Y370-Q373 PolarHBondContact O-N 3.16Å; A371-Q373 PolarHBondContact O-N 3.32Å; Q373-V375 VanDerWaalsContact C-N 3.28Å; Q373-V375 PolarHBondContact O-N 3.16Å
374	M	49.6	Very low	46.3	Very low	124 Å²	124	110.7 Å²	110.7	61%	0.611	56%	0.562	S	S	*	*			trans	-74	79.7	176	-69.9	-171.8	166.2	0	0	111.3	V369 Y370 A371	V369-M374 HydrophobicContact CB-CE 4.46Å; V369-M374 HydrophobicContact CG1-CG 3.87Å; Y370-M374 PolarHBondContact O-N 3.26Å; A371-M374 PolarHBondContact O-N 3.13Å
375	V	50.8	Low	47.2	Very low	37 Å²	37	102.9 Å²	102.9	22%	0.224	53%	0.527	C	S	.	.			trans	-72.6	145	169.6	169.1	0	0	0	0	110	Q373 T377 Q520 H522 T523	Q373-V375 VanDerWaalsContact C-N 3.28Å; Q373-V375 PolarHBondContact O-N 3.16Å; V375-T377 HydrophobicContact CB-CG2 4.37Å; V375-T377 HydrophobicContact CG1-CG2 4.09Å; V375-T377 PolarHBondContact O-N 3.27Å; V375-Q520 HydrophobicContact CG1-CG 4.44Å; V375-H522 WeakPolarHBondContact CG1-O 3.44Å; V375-H522 WeakPolarHBondContact CG2-O 3.4Å; V375-T523 HydrophobicContact CG2-CG2 3.98Å
376	R	56.6	Low	48.6	Very low	121 Å²	121	100.3 Å²	100.3	46%	0.457	51%	0.512	S	S	.	.			trans	-74.3	93.7	172.6	-65.9	178.6	179.4	173.4	-2.3	109.8
377	T	42.4	Very low	49.5	Very low	127 Å²	127	101.3 Å²	101.3	78%	0.779	50%	0.497	S	S	*	.			trans	-93.8	-18.9	-175.8	47.5	0	0	0	0	114.7	V375	V375-T377 HydrophobicContact CB-CG2 4.37Å; V375-T377 HydrophobicContact CG1-CG2 4.09Å; V375-T377 PolarHBondContact O-N 3.27Å
378	D	43.5	Very low	50.1	Low	84 Å²	84	98.7 Å²	98.7	45%	0.449	49%	0.488	S	S	.	.			trans	-93.4	123	179.4	-168.5	-10	0	0	0	112	R380 S381	D378-R380 PolarHBondContact O-N 3.06Å; D378-R380 WeakPolarHBondContact OD1-CB 3.3Å; D378-R380 WeakPolarHBondContact OD1-CG 3.29Å; D378-R380 PolarHBondContact OD1-N 3.42Å; D378-S381 WeakPolarHBondContact O-CB 3.44Å; D378-S381 PolarHBondContact O-N 3.1Å; D378-S381 VanDerWaalsContact O-N 3.17Å; D378-S381 PolarHBondContact O-OG 3.18Å
379	C	45.8	Very low	50.1	Low	100 Å²	100	95.1 Å²	95.1	68%	0.676	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.6	175.1	60.9	0	0	0	0	114	S381	C379-S381 VanDerWaalsContact C-N 3.3Å
380	R	45.3	Very low	49.9	Very low	222 Å²	222	97.2 Å²	97.2	84%	0.838	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-2	173.3	-59.8	171.8	173.3	175.3	-2.5	113.2	D378	D378-R380 PolarHBondContact O-N 3.06Å; D378-R380 WeakPolarHBondContact OD1-CB 3.3Å; D378-R380 WeakPolarHBondContact OD1-CG 3.29Å; D378-R380 PolarHBondContact OD1-N 3.42Å
381	S	54.6	Low	49.1	Very low	52 Å²	52	100.2 Å²	100.2	36%	0.364	51%	0.512	S	S	.	.	S	Bend	trans	-75.9	162.2	179.5	67.1	0	0	0	0	113.2	D378 C379 K383	D378-S381 WeakPolarHBondContact O-CB 3.44Å; D378-S381 PolarHBondContact O-N 3.1Å; D378-S381 VanDerWaalsContact O-N 3.17Å; D378-S381 PolarHBondContact O-OG 3.18Å; C379-S381 VanDerWaalsContact C-N 3.3Å; S381-K383 PolarHBondContact O-N 2.82Å; S381-K383 VanDerWaalsContact O-N 3.17Å
382	Q	53.1	Low	48.1	Very low	119 Å²	119	106.1 Å²	106.1	56%	0.556	53%	0.53	S	S	*	.			trans	-66	111.7	-171.2	-173.1	174.9	-1.3	0	0	112.5	A386 F387	Q382-A386 HydrophobicContact CG-CB 3.59Å; Q382-A386 PolarHBondContact NE2-O 2.89Å; Q382-F387 HydrophobicContact CG-CE2 4.16Å
383	K	67.3	Low	47.2	Very low	68 Å²	68	112.9 Å²	112.9	30%	0.296	56%	0.559	S	S	.	*			trans	-67.8	165.7	-179.3	-57.9	-178.9	-174.2	-179.9	0	113.3	S381 D385 A386 F387 E690	S381-K383 PolarHBondContact O-N 2.82Å; S381-K383 VanDerWaalsContact O-N 3.17Å; K383-D385 VanDerWaalsContact C-N 3.28Å; K383-D385 PolarHBondContact O-N 2.87Å; K383-A386 PolarHBondContact O-N 2.81Å; K383-F387 WeakPolarHBondContact O-CD2 3.35Å; K383-E690 WeakPolarHBondContact CE-OE1 3.48Å; K383-E690 IonicContact NZ-OE1 3.27Å; K383-E690 PolarHBondContact NZ-OE1 2.91Å; K383-E690 IonicContact NZ-OE2 3.53Å; K383-E690 PolarHBondContact NZ-OE2 3.49Å
384	L	55	Low	46.5	Very low	40 Å²	40	114.2 Å²	114.2	21%	0.209	58%	0.575	C	S	.	*	G	3₁₀ helix	trans	-52.7	-42.2	-179.8	-170.7	77.9	0	0	0	113.1	A386 F387 L388 V509 L518	L384-A386 PolarHBondContact O-N 2.98Å; L384-F387 WeakPolarHBondContact O-CA 3.4Å; L384-F387 WeakPolarHBondContact O-CB 3.35Å; L384-F387 PolarHBondContact O-N 3.35Å; L384-L388 HydrophobicContact CD2-CD1 4.07Å; L384-L388 HydrophobicContact CG-CD1 4.04Å; L384-L388 PolarHBondContact O-N 2.65Å; L384-V509 HydrophobicContact CB-CG1 4.47Å; L384-V509 VanDerWaalsContact CB-O 3.22Å; L384-V509 WeakPolarHBondContact CB-O 3.3Å; L384-V509 PolarHBondContact N-O 3.07Å; L384-L518 HydrophobicContact CD1-CD1 4.32Å; L384-L518 HydrophobicContact CD2-CD1 4.07Å
385	D	55.3	Low	45.6	Very low	44 Å²	44	112.6 Å²	112.6	24%	0.235	58%	0.582	C	S	.	*	G	3₁₀ helix	trans	-60.3	-30.8	-174.6	-51.5	-89.2	0	0	0	112.5	K383 F387 L388 Q389	K383-D385 VanDerWaalsContact C-N 3.28Å; K383-D385 PolarHBondContact O-N 2.87Å; D385-F387 PolarHBondContact O-N 3.34Å; D385-L388 PolarHBondContact O-N 2.9Å; D385-Q389 PolarHBondContact O-N 2.86Å
386	A	57	Low	44.8	Very low	46 Å²	46	116.9 Å²	116.9	38%	0.38	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-76.2	0.4	175.4	0	0	0	0	0	114.1	Q382 K383 L384	Q382-A386 HydrophobicContact CG-CB 3.59Å; Q382-A386 PolarHBondContact NE2-O 2.89Å; K383-A386 PolarHBondContact O-N 2.81Å; L384-A386 PolarHBondContact O-N 2.98Å
387	F	52.2	Low	43.5	Very low	125 Å²	125	118.5 Å²	118.5	55%	0.548	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-102.7	-9.9	163.5	-62.5	-94.8	0	0	0	112.5	Q382 K383 L384 D385	Q382-F387 HydrophobicContact CG-CE2 4.16Å; K383-F387 WeakPolarHBondContact O-CD2 3.35Å; L384-F387 WeakPolarHBondContact O-CA 3.4Å; L384-F387 WeakPolarHBondContact O-CB 3.35Å; L384-F387 PolarHBondContact O-N 3.35Å; D385-F387 PolarHBondContact O-N 3.34Å
388	L	45	Very low	43	Very low	120 Å²	120	118.1 Å²	118.1	63%	0.628	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-26.3	-177.3	-61.6	175.6	0	0	0	112.9	L384 D385	L384-L388 HydrophobicContact CD2-CD1 4.07Å; L384-L388 HydrophobicContact CG-CD1 4.04Å; L384-L388 PolarHBondContact O-N 2.65Å; D385-L388 PolarHBondContact O-N 2.9Å
389	Q	38.3	Very low	42.3	Very low	142 Å²	142	123.6 Å²	123.6	66%	0.664	65%	0.651	S	S	*	*	S	Bend	trans	-72.1	138.8	173.9	-73.2	179.9	-8.4	0	0	112.3	D385	D385-Q389 PolarHBondContact O-N 2.86Å
390	P	38	Very low	41.4	Very low	119 Å²	119	126 Å²	126	77%	0.773	66%	0.663	S	S	*	*			trans	-60.7	136.6	166.2	-20.4	32.9	0	0	0	111.2	E392	P390-E392 PolarHBondContact O-N 3.1Å
391	K	31.9	Very low	40.5	Very low	210 Å²	210	120.4 Å²	120.4	91%	0.913	66%	0.664	S	S	*	*			trans	-74.3	95.3	177.6	-112.2	-174.4	178.2	-179.5	0	111.4
392	E	32	Very low	39.1	Very low	181 Å²	181	121.4 Å²	121.4	85%	0.846	68%	0.682	S	S	*	*			trans	-70.1	156.3	157.2	-59.3	-149.5	135.7	0	0	110.6	P390	P390-E392 PolarHBondContact O-N 3.1Å
393	K	30.4	Very low	38.6	Very low	196 Å²	196	122 Å²	122	85%	0.852	70%	0.696	S	S	*	*			trans	-104.6	133.1	179	-82.3	-173.3	172.7	-173.7	0	110.1
394	P	32.5	Very low	36.5	Very low	121 Å²	121	124.7 Å²	124.7	79%	0.786	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-64.5	157	160.1	30.1	-34	0	0	0	110.6
395	A	30.7	Very low	35.1	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67	158.6	174	0	0	0	0	0	111.8
396	P	32.8	Very low	33.5	Very low	126 Å²	126	137 Å²	137	82%	0.818	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.7	126.3	-178.4	32.7	-32.5	0	0	0	112.7
397	D	29.5	Very low	32.2	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.5	155.7	159.1	-83.4	-48.6	0	0	0	111.5
398	P	33.1	Very low	30.8	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.2	170.8	-171.4	29.1	-35.7	0	0	0	115.5
399	E	29.3	Very low	29.7	Very low	199 Å²	199	138.7 Å²	138.7	93%	0.93	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.8	147.6	-160.9	-59.4	-177.5	123.8	0	0	115.9
400	T	26.2	Very low	28.9	Very low	151 Å²	151	138.2 Å²	138.2	93%	0.926	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-88.8	123.8	172.4	-20.5	0	0	0	0	111.1
401	A	26.8	Very low	28.2	Very low	103 Å²	103	143.9 Å²	143.9	85%	0.851	84%	0.837	S	S	*	*			trans	-120.7	130.9	166.4	0	0	0	0	0	110.6
402	G	24.9	Very low	27.7	Very low	73 Å²	73	139.2 Å²	139.2	75%	0.753	83%	0.826	S	S	*	*			trans	-150.2	-159.2	168.1	0	0	0	0	0	109.2
403	P	43	Very low	27.2	Very low	131 Å²	131	135.3 Å²	135.3	85%	0.851	82%	0.819	S	S	*	*			cis	-132.3	150.1	-17.8	37.7	-23.2	0	0	0	112.9
404	S	23.6	Very low	26.8	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	82%	0.815	S	S	*	*			trans	-151.8	155.6	167.9	54.9	0	0	0	0	113.3
405	R	24.8	Very low	26.3	Very low	239 Å²	239	135.1 Å²	135.1	90%	0.902	81%	0.814	S	S	*	*			trans	-84.6	158.1	-172.2	-75.4	174.8	166.8	170.2	-6.3	114
406	S	20.6	Very low	25.9	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	81%	0.813	S	S	*	*			trans	-27.8	156.3	152.6	48.5	0	0	0	0	116.4
407	P	31.3	Very low	25.5	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	81%	0.805	S	S	*	*			cis	-143.1	171.6	36.9	42.1	-22.9	0	0	0	120.1
408	A	21.6	Very low	25.2	Very low	96 Å²	96	135.2 Å²	135.2	79%	0.793	80%	0.802	S	S	*	*			trans	-19.3	138	169.5	0	0	0	0	0	121
409	A	22.8	Very low	24.9	Very low	105 Å²	105	136.3 Å²	136.3	87%	0.868	80%	0.797	S	S	*	*			trans	-152	128	131.9	0	0	0	0	0	110.2
410	T	22.2	Very low	24.8	Very low	133 Å²	133	133.6 Å²	133.6	82%	0.816	79%	0.788	S	S	*	*			trans	-97	132.8	175.5	-45.4	0	0	0	0	110.2
411	R	22.5	Very low	24.9	Very low	238 Å²	238	132.9 Å²	132.9	90%	0.898	78%	0.778	S	S	*	*			trans	-164.4	102.9	154.4	-109.2	159.4	-163.1	-163.4	2.3	112.6
412	T	21.6	Very low	24.9	Very low	112 Å²	112	135.2 Å²	135.2	69%	0.687	78%	0.777	S	S	*	*			trans	25.7	137.7	130.1	55.7	0	0	0	0	120.7
413	S	21.6	Very low	25.1	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	78%	0.782	S	S	*	*			trans	63.9	139.4	141.8	60.3	0	0	0	0	118.4
414	E	21.8	Very low	24.4	Very low	165 Å²	165	140.9 Å²	140.9	77%	0.771	78%	0.776	S	S	*	*			cis	-172	178.9	-1	-119.9	169.5	153.5	0	0	108.5
415	L	22.6	Very low	24.6	Very low	149 Å²	149	141.6 Å²	141.6	78%	0.78	77%	0.768	S	S	*	*			trans	60.5	135.3	152.5	-72.2	159.9	0	0	0	117.6
416	D	21.8	Very low	24.7	Very low	134 Å²	134	136.6 Å²	136.6	72%	0.717	76%	0.758	S	S	*	*			cis	171.6	177.5	13.3	-170.1	3.8	0	0	0	106.5
417	S	23.5	Very low	25	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	76%	0.763	S	S	*	*			trans	67.4	152.3	161.6	69.1	0	0	0	0	119.8
418	L	24.5	Very low	24.8	Very low	145 Å²	145	138.7 Å²	138.7	76%	0.759	76%	0.761	S	S	*	*			cis	-167.1	175.3	-20.2	-94.2	173.1	0	0	0	104.5
419	E	26.6	Very low	25	Very low	142 Å²	142	139 Å²	139	66%	0.664	76%	0.764	S	S	*	*			cis	-164.1	140.2	6.8	-122.6	155	154.7	0	0	108.9
420	L	27	Very low	25.1	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	76%	0.762	S	S	*	*			trans	58	161.8	141.9	-60.8	168.7	0	0	0	122.1
421	D	27	Very low	25.2	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	77%	0.767	S	S	*	*			cis	-121.2	-175.5	-5.4	-57.1	-81	0	0	0	108.7
422	D	27.4	Very low	25.2	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	76%	0.764	S	S	*	*			cis	-115.6	-176.1	-4	-48.3	-84.8	0	0	0	109.1
423	E	28.9	Very low	26.3	Very low	184 Å²	184	142 Å²	142	86%	0.86	77%	0.768	S	S	*	*			cis	77.8	130.6	17.9	-74.6	-169	-162.5	0	0	118.4
424	D	29.5	Very low	26.4	Very low	138 Å²	138	140.9 Å²	140.9	74%	0.738	77%	0.772	S	S	*	*			cis	-160.5	173	-9.9	-167.8	27.8	0	0	0	115.1
425	M	26.9	Very low	27.1	Very low	141 Å²	141	139 Å²	139	70%	0.695	77%	0.774	S	S	*	*			trans	98.3	95	155.7	-67.4	-163	74.5	0	0	122.4
426	L	27.5	Very low	27.3	Very low	133 Å²	133	137 Å²	137	70%	0.696	78%	0.779	S	S	*	*				61.5	149.2	117.7	-72.6	162.2	0	0	0	121.5
427	E	25.8	Very low	27.4	Very low	180 Å²	180	134.3 Å²	134.3	84%	0.841	78%	0.783	S	S	*	*			cis	-145.7	174.4	3.3	-161.2	158	-141.9	0	0	111
428	A	27.7	Very low	27.6	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	80%	0.795	S	S	*	*			trans	-123.1	166.4	-165.7	0	0	0	0	0	115.9
429	A	25.1	Very low	27.6	Very low	103 Å²	103	141.4 Å²	141.4	85%	0.851	80%	0.801	S	S	*	*			trans	-146.5	142.5	159.2	0	0	0	0	0	110.4
430	L	25.1	Very low	27.5	Very low	158 Å²	158	144 Å²	144	83%	0.827	81%	0.813	S	S	*	*			trans	-132.8	155.1	-176.4	-77.3	162.2	0	0	0	109.9
431	E	24.5	Very low	27.3	Very low	198 Å²	198	148.9 Å²	148.9	93%	0.925	82%	0.822	S	S	*	*				-170.3	158	128.9	-106.8	172.2	-169.7	0	0	111.3
432	E	23.3	Very low	27.1	Very low	176 Å²	176	148.1 Å²	148.1	82%	0.822	83%	0.828	S	S	*	*			trans	-115.6	-139.6	-167.5	-70	-162.7	145.5	0	0	114
433	P	45.1	Very low	26.9	Very low	120 Å²	120	144.7 Å²	144.7	78%	0.779	83%	0.828	S	S	*	*				-126.6	-177.8	-99.3	38.7	-22	0	0	0	115.6
434	G	23.2	Very low	26.6	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	83%	0.83	S	S	*	*			trans	-159	121.9	167	0	0	0	0	0	112.5
435	P	37.1	Very low	26.2	Very low	126 Å²	126	139.5 Å²	139.5	82%	0.818	84%	0.835	S	S	*	*			trans	-119.2	177.5	-165.9	43.1	-35.8	0	0	0	116.9
436	A	25.6	Very low	25.9	Very low	107 Å²	107	141.8 Å²	141.8	88%	0.884	84%	0.844	S	S	*	*			trans	83.6	136.4	151.1	0	0	0	0	0	120.7
437	G	25.1	Very low	25.7	Very low	77 Å²	77	144.5 Å²	144.5	79%	0.794	85%	0.854	S	S	*	*			trans	170.8	113.2	175.1	0	0	0	0	0	107.9
438	E	26.1	Very low	25.5	Very low	196 Å²	196	142.8 Å²	142.8	92%	0.916	85%	0.85	S	S	*	*			trans	-95.2	160.2	-155.5	-65.2	169.7	128.3	0	0	115.2
439	E	24.8	Very low	25.3	Very low	192 Å²	192	145 Å²	145	90%	0.897	85%	0.845	S	S	*	*			trans	-79.3	160.8	167.2	-53.2	-175.9	127.6	0	0	111.3
440	E	24.1	Very low	25.1	Very low	196 Å²	196	149.8 Å²	149.8	92%	0.916	84%	0.841	S	S	*	*				-158.5	162.1	126.2	-126.9	-172.3	-157.1	0	0	113
441	R	24.1	Very low	25	Very low	246 Å²	246	151.1 Å²	151.1	93%	0.928	84%	0.84	S	S	*	*			trans	-155.6	113.7	-169.5	-170.7	-173.1	-169.9	-165	5.7	113.1
442	S	23.2	Very low	25	Very low	121 Å²	121	153.1 Å²	153.1	85%	0.846	84%	0.839	S	S	*	*			trans	-158.8	160	164.7	62.1	0	0	0	0	110.3
443	G	22.9	Very low	25.4	Very low	80 Å²	80	150.8 Å²	150.8	83%	0.825	84%	0.839	S	S	*	*			cis	-154.6	-175	-2.2	0	0	0	0	0	110.9
444	A	21.6	Very low	24.5	Very low	108 Å²	108	154 Å²	154	89%	0.893	84%	0.836	S	S	*	*			trans	-111.6	158.3	-168.2	0	0	0	0	0	115.2
445	A	21.6	Very low	24.5	Very low	104 Å²	104	159.9 Å²	159.9	86%	0.86	84%	0.844	S	S	*	*			trans	-162.5	170.1	159.8	0	0	0	0	0	110.9
446	E	21.5	Very low	24	Very low	189 Å²	189	160.4 Å²	160.4	88%	0.883	84%	0.835	S	S	*	*			trans	-118	168.9	-164.5	-61.3	172.8	112.5	0	0	115
447	E	21.9	Very low	23.9	Very low	190 Å²	190	164.8 Å²	164.8	89%	0.888	84%	0.837	S	S	*	*			trans	50.7	130.3	157.4	-66.9	-169.3	147.7	0	0	122.9
448	D	23	Very low	24.2	Very low	145 Å²	145	168.9 Å²	168.9	78%	0.775	84%	0.841	S	S	*	*				-165.5	-165.6	109.8	-153.8	-3.1	0	0	0	112.2
449	Q	22.1	Very low	24.2	Very low	140 Å²	140	168.8 Å²	168.8	65%	0.654	84%	0.84	S	S	*	*			trans	-116.8	146.9	-147.4	-72.8	164.1	81.6	0	0	119.5
450	R	21.5	Very low	24.8	Very low	203 Å²	203	169.1 Å²	169.1	77%	0.766	84%	0.842	S	S	*	*			trans	54.8	125.5	132.6	-68.4	172.4	162	165.2	-4.5	123.4
451	K	22.3	Very low	24.8	Very low	185 Å²	185	169 Å²	169	80%	0.804	84%	0.841	S	S	*	*			trans	78.8	113	137	-71.3	177.1	174.5	-177.2	0	121.6
452	R	25.5	Very low	25.1	Very low	240 Å²	240	164.6 Å²	164.6	91%	0.906	84%	0.836	S	S	*	*				49.9	146.8	122.4	-73.1	-171.1	179.9	-168.4	-0.9	120.4
453	P	31	Very low	25.4	Very low	128 Å²	128	166.9 Å²	166.9	83%	0.831	84%	0.839	S	S	*	*			cis	-140.2	-170.8	35.5	43.1	-24.2	0	0	0	117.7
454	R	26.5	Very low	26	Very low	187 Å²	187	169.3 Å²	169.3	71%	0.706	83%	0.833	S	S	*	*			trans	-66.3	147	176.9	169.3	-159.9	-166	178.3	3	113.9	E456	R454-E456 HydrophobicContact CG-CG 3.99Å; R454-E456 IonicContact CZ-OE1 3.18Å; R454-E456 IonicContact CZ-OE2 3.71Å; R454-E456 IonicContact NE-OE1 2.99Å; R454-E456 PolarHBondContact NE-OE1 3.03Å; R454-E456 IonicContact NE-OE2 3.58Å; R454-E456 VanDerWaalsContact NH2-CD 3.33Å; R454-E456 IonicContact NH2-OE1 2.63Å; R454-E456 PolarHBondContact NH2-OE1 2.73Å; R454-E456 IonicContact NH2-OE2 3.4Å; R454-E456 PolarHBondContact NH2-OE2 2.69Å
455	E	24.1	Very low	26.7	Very low	198 Å²	198	169.1 Å²	169.1	93%	0.925	82%	0.817	S	S	*	*			trans	-139.1	170.5	138	-120.2	155.4	-148.8	0	0	108.2
456	E	26.6	Very low	27.7	Very low	136 Å²	136	173.6 Å²	173.6	64%	0.636	82%	0.82	S	S	*	*			trans	-133	144.2	-164.1	-53	178.9	118.9	0	0	110.6	R454	R454-E456 HydrophobicContact CG-CG 3.99Å; R454-E456 IonicContact CZ-OE1 3.18Å; R454-E456 IonicContact CZ-OE2 3.71Å; R454-E456 IonicContact NE-OE1 2.99Å; R454-E456 PolarHBondContact NE-OE1 3.03Å; R454-E456 IonicContact NE-OE2 3.58Å; R454-E456 VanDerWaalsContact NH2-CD 3.33Å; R454-E456 IonicContact NH2-OE1 2.63Å; R454-E456 PolarHBondContact NH2-OE1 2.73Å; R454-E456 IonicContact NH2-OE2 3.4Å; R454-E456 PolarHBondContact NH2-OE2 2.69Å
457	E	23.3	Very low	29	Very low	199 Å²	199	166.1 Å²	166.1	93%	0.93	79%	0.794	S	S	*	*			trans	-166.8	154.9	148.1	-110.4	159	-154.8	0	0	109.8
458	D	30	Very low	30.5	Very low	163 Å²	163	164.4 Å²	164.4	87%	0.872	79%	0.79	S	S	*	*			trans	-91.9	131.1	-167.2	-47.7	-89.7	0	0	0	113.4
459	E	26.3	Very low	32.3	Very low	194 Å²	194	157.9 Å²	157.9	91%	0.907	76%	0.755	S	S	*	*			trans	-136.5	154.3	155.1	-71.4	-161.3	147.7	0	0	110.4
460	E	36.6	Very low	34.3	Very low	200 Å²	200	151.8 Å²	151.8	94%	0.935	73%	0.729	S	S	*	*			trans	-85.2	118.5	-176.2	-58.7	178.9	144.5	0	0	110.5
461	E	26.1	Very low	36.2	Very low	193 Å²	193	142.7 Å²	142.7	90%	0.902	70%	0.697	S	S	*	*			trans	-105.3	130.9	170.7	-68.9	-168.2	139.6	0	0	111.1
462	D	29.5	Very low	37.9	Very low	154 Å²	154	136.4 Å²	136.4	82%	0.824	68%	0.68	S	S	*	*			trans	-69.7	126.7	173.5	-83.6	-71.1	0	0	0	110.8	D464	D462-D464 PolarHBondContact O-N 3.32Å
463	D	29.5	Very low	39.3	Very low	169 Å²	169	126.4 Å²	126.4	90%	0.904	65%	0.645	S	S	*	*			trans	-69.9	70.5	168.6	-89.7	-42.6	0	0	0	111	D465	D463-D465 PolarHBondContact O-N 3.11Å
464	D	35	Very low	40.2	Very low	131 Å²	131	126.6 Å²	126.6	70%	0.701	65%	0.646	S	S	*	*			trans	-73.4	78.1	165	-97.1	-25.4	0	0	0	109.5	D462 E466	D462-D464 PolarHBondContact O-N 3.32Å; D464-E466 VanDerWaalsContact C-N 3.31Å; D464-E466 PolarHBondContact O-N 3.12Å
465	D	37.3	Very low	41.9	Very low	103 Å²	103	126.6 Å²	126.6	55%	0.551	65%	0.652	S	S	*	*			trans	-66.4	81.2	177.6	179.5	31.8	0	0	0	111.7	D463 G467 R476	D463-D465 PolarHBondContact O-N 3.11Å; D465-G467 PolarHBondContact O-N 3.02Å; D465-G467 PolarHBondContact OD1-N 3.26Å; D465-R476 VanDerWaalsContact CG-NH1 3.29Å; D465-R476 PolarHBondContact O-NH1 3.22Å; D465-R476 IonicContact OD2-CZ 3.38Å; D465-R476 IonicContact OD2-NH1 2.71Å; D465-R476 PolarHBondContact OD2-NH1 3.12Å; D465-R476 IonicContact OD2-NH2 3.18Å
466	E	41.2	Very low	44.1	Very low	199 Å²	199	121 Å²	121	93%	0.93	62%	0.622	S	S	*	*			trans	-66.5	39.2	166.8	-70.5	-152.4	137.6	0	0	112.9	D464	D464-E466 VanDerWaalsContact C-N 3.31Å; D464-E466 PolarHBondContact O-N 3.12Å
467	G	48.8	Very low	46.7	Very low	31 Å²	31	119.9 Å²	119.9	32%	0.32	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-69.6	133.4	169.6	0	0	0	0	0	112.3	D465 T469	D465-G467 PolarHBondContact O-N 3.02Å; D465-G467 PolarHBondContact OD1-N 3.26Å; G467-T469 PolarHBondContact O-N 3.05Å
468	L	54	Low	49.2	Very low	154 Å²	154	115 Å²	115	81%	0.806	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-64.6	124.8	168.1	-68.7	167.9	0	0	0	110
469	T	60.8	Low	51.7	Low	8 Å²	8	108.6 Å²	108.6	5%	0.049	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-61.3	158	175.1	60.9	0	0	0	0	112.2	G467 A471 A472 T473 R476 D545 N548	G467-T469 PolarHBondContact O-N 3.05Å; T469-A471 PolarHBondContact O-N 3.27Å; T469-A472 PolarHBondContact O-N 2.69Å; T469-A472 PolarHBondContact OG1-N 3.4Å; T469-T473 WeakPolarHBondContact CG2-OG1 3.4Å; T469-T473 PolarHBondContact OG1-N 2.96Å; T469-T473 PolarHBondContact OG1-OG1 2.69Å; T469-T473 VanDerWaalsContact OG1-OG1 3.12Å; T469-R476 HydrophobicContact CG2-CG 4.35Å; T469-D545 VanDerWaalsContact CA-OD2 3.25Å; T469-D545 WeakPolarHBondContact CA-OD2 3.49Å; T469-D545 WeakPolarHBondContact CB-OD2 3.5Å; T469-D545 HydrophobicContact CG2-CB 4.5Å; T469-N548 HydrophobicContact CG2-CB 4.09Å
470	A	63.8	Low	54.3	Low	13 Å²	13	107.4 Å²	107.4	11%	0.107	55%	0.553	C	S	.	*	T	Hydrogen-bonded Turn	trans	-55.3	-20.4	178.7	0	0	0	0	0	115.7	I541 D545 L620 L621 D622 L700	A470-I541 HydrophobicContact CB-CD1 4.16Å; A470-I541 HydrophobicContact CB-CG1 4.13Å; A470-I541 HydrophobicContact CB-CG2 3.78Å; A470-D545 PolarHBondContact N-OD2 3.24Å; A470-L620 VanDerWaalsContact CB-O 3.31Å; A470-L620 WeakPolarHBondContact CB-O 3.41Å; A470-L621 HydrophobicContact CB-CD2 4.21Å; A470-D622 PolarHBondContact O-N 3.41Å; A470-L700 HydrophobicContact CB-CD1 3.66Å
471	A	61.3	Low	56.7	Low	11 Å²	11	100.1 Å²	100.1	9%	0.091	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	30.6	175.8	0	0	0	0	0	113.3	T469 T473 L619 D622	T469-A471 PolarHBondContact O-N 3.27Å; A471-T473 VanDerWaalsContact C-N 3.34Å; A471-T473 PolarHBondContact O-N 3.12Å; A471-T473 VanDerWaalsContact O-N 3.1Å; A471-L619 HydrophobicContact CB-CB 4.38Å; A471-L619 HydrophobicContact CB-CD2 4Å; A471-L619 HydrophobicContact CB-CG 3.83Å; A471-L619 WeakPolarHBondContact CB-O 3.23Å; A471-D622 WeakPolarHBondContact CA-OD1 3.38Å
472	A	57.9	Low	59.7	Low	54 Å²	54	95.6 Å²	95.6	45%	0.446	51%	0.506	S	S	.	.			trans	49.6	38.8	168.7	0	0	0	0	0	116.9	T469	T469-A472 PolarHBondContact O-N 2.69Å; T469-A472 PolarHBondContact OG1-N 3.4Å
473	T	55.4	Low	62.7	Low	29 Å²	29	89 Å²	89	18%	0.178	47%	0.471	C	S	.	.			trans	-70.6	139.5	174.9	65.6	0	0	0	0	111.5	T469 A471 K475 N548	T469-T473 WeakPolarHBondContact CG2-OG1 3.4Å; T469-T473 PolarHBondContact OG1-N 2.96Å; T469-T473 PolarHBondContact OG1-OG1 2.69Å; T469-T473 VanDerWaalsContact OG1-OG1 3.12Å; A471-T473 VanDerWaalsContact C-N 3.34Å; A471-T473 PolarHBondContact O-N 3.12Å; A471-T473 VanDerWaalsContact O-N 3.1Å; T473-K475 PolarHBondContact O-N 2.67Å; T473-N548 WeakPolarHBondContact CG2-O 3.39Å
474	P	51.2	Low	65.6	Low	132 Å²	132	81 Å²	81	86%	0.857	43%	0.429	S	S	*	.	S	Bend	trans	-85.7	-0.4	-168.3	33.4	-37.7	0	0	0	115.3
475	K	61.2	Low	68.2	Low	188 Å²	188	81 Å²	81	82%	0.817	42%	0.422	S	S	*	.	S	Bend	trans	-150.4	117.4	177.3	-70.3	-168.2	177.2	-175.5	0	110.7	T473	T473-K475 PolarHBondContact O-N 2.67Å
476	R	71.1	Confident	70.8	Confident	81 Å²	81	79.5 Å²	79.5	31%	0.306	42%	0.415	S	S	.	.			trans	-89.4	120.6	-178.8	-154.2	178.4	-166.8	-164.5	8.3	111.5	D465 T469 V478 D545 N548	D465-R476 VanDerWaalsContact CG-NH1 3.29Å; D465-R476 PolarHBondContact O-NH1 3.22Å; D465-R476 IonicContact OD2-CZ 3.38Å; D465-R476 IonicContact OD2-NH1 2.71Å; D465-R476 PolarHBondContact OD2-NH1 3.12Å; D465-R476 IonicContact OD2-NH2 3.18Å; T469-R476 HydrophobicContact CG2-CG 4.35Å; R476-V478 PolarHBondContact O-N 2.92Å; R476-D545 IonicContact CZ-OD1 3.57Å; R476-D545 IonicContact NE-OD1 2.8Å; R476-D545 IonicContact NH2-OD1 3.51Å; R476-D545 PolarHBondContact NH2-OD1 2.92Å; R476-N548 VanDerWaalsContact CA-OD1 3.32Å; R476-N548 WeakPolarHBondContact CA-OD1 3.14Å
477	R	80.3	Confident	73.3	Confident	111 Å²	111	70 Å²	70	42%	0.419	37%	0.37	S	S	.	.			trans	-75.6	110.9	169.1	-179.4	-176.1	-178.2	177.9	2.3	109.3	I479 N548 D602	R477-I479 HydrophobicContact CG-CG1 4.12Å; R477-I479 PolarHBondContact O-N 3.31Å; R477-N548 PolarHBondContact N-OD1 3.36Å; R477-N548 PolarHBondContact O-ND2 3.37Å; R477-N548 VanDerWaalsContact O-ND2 3.11Å; R477-D602 IonicContact CZ-OD1 3.74Å; R477-D602 IonicContact CZ-OD2 3.6Å; R477-D602 PolarHBondContact NH1-O 2.93Å; R477-D602 IonicContact NH1-OD1 2.73Å; R477-D602 PolarHBondContact NH1-OD1 3.33Å; R477-D602 IonicContact NH1-OD2 3.5Å; R477-D602 PolarHBondContact NH1-OD2 2.92Å; R477-D602 IonicContact NH2-OD1 2.67Å; R477-D602 PolarHBondContact NH2-OD1 3.14Å; R477-D602 IonicContact NH2-OD2 2.72Å; R477-D602 PolarHBondContact NH2-OD2 3.13Å
478	V	76.7	Confident	75.4	Confident	98 Å²	98	71.7 Å²	71.7	59%	0.594	37%	0.367	S	S	*	.			trans	-71.6	113.2	174.7	-179.6	0	0	0	0	110	R476 K480	R476-V478 PolarHBondContact O-N 2.92Å; V478-K480 HydrophobicContact CG1-CG 4.21Å
479	I	81.4	Confident	77.1	Confident	27 Å²	27	67 Å²	67	14%	0.138	35%	0.351	C	S	.	.			trans	-100.9	116.7	-178.5	-68.2	180	0	0	0	110.1	R477 L481 F546	R477-I479 HydrophobicContact CG-CG1 4.12Å; R477-I479 PolarHBondContact O-N 3.31Å; I479-L481 HydrophobicContact CG2-CB 4Å; I479-L481 HydrophobicContact CG2-CD1 3.75Å; I479-L481 HydrophobicContact CG2-CG 3.72Å; I479-F546 HydrophobicContact CD1-CD1 3.69Å; I479-F546 HydrophobicContact CD1-CE1 4.25Å; I479-F546 WeakPolarHBondContact CD1-O 3.38Å; I479-F546 HydrophobicContact CG2-CD1 4.27Å
480	K	81.4	Confident	78.6	Confident	170 Å²	170	70 Å²	70	74%	0.739	36%	0.364	S	S	*	.			trans	-97.1	17.6	-174.4	-56.8	-165.9	178.1	-167.4	0	113.9	V478	V478-K480 HydrophobicContact CG1-CG 4.21Å
481	L	87.6	Confident	80	Confident	46 Å²	46	70 Å²	70	24%	0.241	36%	0.362	C	S	.	.			trans	-66.5	130.5	177.4	-64.8	172.9	0	0	0	111.5	I479 I484 K485 F546 F651	I479-L481 HydrophobicContact CG2-CB 4Å; I479-L481 HydrophobicContact CG2-CD1 3.75Å; I479-L481 HydrophobicContact CG2-CG 3.72Å; L481-I484 HydrophobicContact CB-CB 4.43Å; L481-I484 HydrophobicContact CB-CG1 4.22Å; L481-I484 HydrophobicContact CD1-CG1 4.39Å; L481-I484 PolarHBondContact O-N 3.44Å; L481-K485 PolarHBondContact O-N 2.92Å; L481-F546 HydrophobicContact CD1-CE1 4.26Å; L481-F651 HydrophobicContact CD1-CE2 3.91Å; L481-F651 HydrophobicContact CD1-CZ 4.22Å
482	T	88.9	Confident	81.3	Confident	99 Å²	99	73.8 Å²	73.8	61%	0.607	38%	0.384	S	S	*	.	H	α-helix	trans	-62.7	-42.8	177.8	42.6	0	0	0	0	111.8	I484 K485 D486	T482-I484 VanDerWaalsContact C-N 3.25Å; T482-I484 PolarHBondContact O-N 2.92Å; T482-K485 PolarHBondContact O-N 2.79Å; T482-D486 PolarHBondContact O-N 2.83Å
483	S	91.2	Very high	82.9	Confident	14 Å²	14	78.5 Å²	78.5	10%	0.098	40%	0.397	C	S	.	.	H	α-helix	trans	-54.9	-38.7	178.8	-54.8	0	0	0	0	113.2	L487 E647	S483-L487 WeakPolarHBondContact O-CD1 3.49Å; S483-L487 WeakPolarHBondContact O-CG 3.37Å; S483-L487 PolarHBondContact O-N 2.75Å; S483-L487 VanDerWaalsContact O-N 3.17Å; S483-E647 WeakPolarHBondContact CB-OE1 3.29Å; S483-E647 PolarHBondContact OG-OE1 2.93Å
484	I	91.2	Very high	84.7	Confident	2 Å²	2	80.7 Å²	80.7	1%	0.01	41%	0.408	C	S	.	.	H	α-helix	trans	-76.6	-37.9	177.5	-61.4	-61.5	0	0	0	111.5	L481 T482 L487 R488 F546 F651	L481-I484 HydrophobicContact CB-CB 4.43Å; L481-I484 HydrophobicContact CB-CG1 4.22Å; L481-I484 HydrophobicContact CD1-CG1 4.39Å; L481-I484 PolarHBondContact O-N 3.44Å; T482-I484 VanDerWaalsContact C-N 3.25Å; T482-I484 PolarHBondContact O-N 2.92Å; I484-L487 HydrophobicContact CD1-CD1 4.41Å; I484-L487 PolarHBondContact O-N 3.2Å; I484-R488 WeakPolarHBondContact O-CG 3.4Å; I484-R488 PolarHBondContact O-N 3.11Å; I484-F546 HydrophobicContact CD1-CD1 3.86Å; I484-F546 HydrophobicContact CD1-CD2 3.65Å; I484-F546 HydrophobicContact CD1-CE1 3.9Å; I484-F546 HydrophobicContact CD1-CE2 3.67Å; I484-F546 HydrophobicContact CD1-CG 3.75Å; I484-F546 HydrophobicContact CD1-CZ 3.82Å; I484-F546 HydrophobicContact CG1-CD1 3.84Å; I484-F546 HydrophobicContact CG1-CE1 3.91Å; I484-F546 HydrophobicContact CG1-CG 4.17Å; I484-F546 HydrophobicContact CG1-CZ 4.29Å; I484-F546 HydrophobicContact CG2-CB 4.42Å; I484-F651 HydrophobicContact CD1-CB 4.07Å; I484-F651 HydrophobicContact CD1-CD2 3.61Å; I484-F651 HydrophobicContact CD1-CE2 4.34Å; I484-F651 HydrophobicContact CD1-CG 4.09Å; I484-F651 HydrophobicContact CG1-CD2 4.09Å; I484-F651 HydrophobicContact CG1-CE2 4.39Å
485	K	90.5	Very high	86.6	Confident	130 Å²	130	75.3 Å²	75.3	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-60.5	-44.8	173.6	-72.4	-171.2	172.3	-163.4	0	111.6	L481 T482 R488 A489	L481-K485 PolarHBondContact O-N 2.92Å; T482-K485 PolarHBondContact O-N 2.79Å; K485-R488 PolarHBondContact O-N 3.28Å; K485-A489 PolarHBondContact O-N 2.72Å
486	D	92.2	Very high	88.1	Confident	73 Å²	73	69.4 Å²	69.4	39%	0.39	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-49.1	173.8	-77.9	18	0	0	0	112	T482 R488 A489 E490 K648	T482-D486 PolarHBondContact O-N 2.83Å; D486-R488 VanDerWaalsContact C-N 3.29Å; D486-R488 PolarHBondContact O-N 2.8Å; D486-A489 CarbonylContact O-C 3.59Å; D486-A489 WeakPolarHBondContact O-CA 3.46Å; D486-A489 WeakPolarHBondContact O-CB 3.1Å; D486-A489 PolarHBondContact O-N 3.4Å; D486-E490 WeakPolarHBondContact O-CG 3.4Å; D486-E490 PolarHBondContact O-N 3.15Å; D486-K648 HydrophobicContact CB-CD 4.34Å; D486-K648 IonicContact OD2-NZ 3.28Å; D486-K648 PolarHBondContact OD2-NZ 3.32Å
487	L	91.8	Very high	88.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-35.2	-178.1	-71.2	166.2	0	0	0	111.9	S483 I484 I491 I543 K648 F651 R652	S483-L487 WeakPolarHBondContact O-CD1 3.49Å; S483-L487 WeakPolarHBondContact O-CG 3.37Å; S483-L487 PolarHBondContact O-N 2.75Å; S483-L487 VanDerWaalsContact O-N 3.17Å; I484-L487 HydrophobicContact CD1-CD1 4.41Å; I484-L487 PolarHBondContact O-N 3.2Å; L487-I491 WeakPolarHBondContact O-CD1 3.46Å; L487-I491 VanDerWaalsContact O-CG1 3.31Å; L487-I491 WeakPolarHBondContact O-CG1 3.29Å; L487-I491 PolarHBondContact O-N 3.46Å; L487-I491 VanDerWaalsContact O-N 3.16Å; L487-I543 HydrophobicContact CB-CD1 4.36Å; L487-I543 HydrophobicContact CB-CG2 3.9Å; L487-I543 HydrophobicContact CD1-CD1 3.99Å; L487-K648 HydrophobicContact CD1-CG 4.34Å; L487-K648 HydrophobicContact CG-CG 4.31Å; L487-F651 HydrophobicContact CD1-CB 4.38Å; L487-R652 HydrophobicContact CD1-CB 4.33Å; L487-R652 HydrophobicContact CD2-CB 4.03Å; L487-R652 HydrophobicContact CD2-CG 4.17Å
488	R	92.8	Very high	89.2	Confident	65 Å²	65	72.4 Å²	72.4	25%	0.245	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-39.6	171.3	-69.1	173.1	-172.3	-157.5	-0.2	112.1	I484 K485 D486 T492 I543 F544	I484-R488 WeakPolarHBondContact O-CG 3.4Å; I484-R488 PolarHBondContact O-N 3.11Å; K485-R488 PolarHBondContact O-N 3.28Å; D486-R488 VanDerWaalsContact C-N 3.29Å; D486-R488 PolarHBondContact O-N 2.8Å; R488-T492 WeakPolarHBondContact O-CB 3.4Å; R488-T492 PolarHBondContact O-N 2.87Å; R488-T492 PolarHBondContact O-OG1 3.48Å; R488-I543 HydrophobicContact CG-CG2 3.7Å; R488-I543 VanDerWaalsContact CZ-O 3.27Å; R488-I543 PolarHBondContact NE-O 2.87Å; R488-I543 PolarHBondContact NH2-O 3.32Å; R488-F544 HydrophobicContact CB-CE1 4Å; R488-F544 HydrophobicContact CB-CZ 4.45Å; R488-F544 HydrophobicContact CG-CD1 3.93Å; R488-F544 HydrophobicContact CG-CE1 3.82Å; R488-F544 HydrophobicContact CG-CZ 4.45Å; R488-F544 VanDerWaalsContact CZ-O 3.3Å; R488-F544 VanDerWaalsContact NH2-C 3.33Å; R488-F544 PolarHBondContact NH2-O 2.83Å
489	A	91.4	Very high	89.8	Confident	57 Å²	57	68.5 Å²	68.5	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-44.5	175.1	0	0	0	0	0	111.9	K485 D486 I491 T492 E493	K485-A489 PolarHBondContact O-N 2.72Å; D486-A489 CarbonylContact O-C 3.59Å; D486-A489 WeakPolarHBondContact O-CA 3.46Å; D486-A489 WeakPolarHBondContact O-CB 3.1Å; D486-A489 PolarHBondContact O-N 3.4Å; A489-I491 VanDerWaalsContact C-N 3.35Å; A489-I491 PolarHBondContact O-N 3.34Å; A489-T492 PolarHBondContact O-N 3.29Å; A489-T492 VanDerWaalsContact O-N 3.15Å; A489-E493 WeakPolarHBondContact O-CB 3.31Å; A489-E493 PolarHBondContact O-N 2.96Å
490	E	92.5	Very high	90.2	Very high	71 Å²	71	69.3 Å²	69.3	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-56.4	-44.8	176.1	-73.6	171.8	-158.4	0	0	111.8	D486 N494 K648 R652	D486-E490 WeakPolarHBondContact O-CG 3.4Å; D486-E490 PolarHBondContact O-N 3.15Å; E490-N494 VanDerWaalsContact O-CB 3.3Å; E490-N494 WeakPolarHBondContact O-CB 3.28Å; E490-N494 PolarHBondContact O-N 3.04Å; E490-N494 VanDerWaalsContact O-N 3.11Å; E490-K648 WeakPolarHBondContact OE1-CE 3.44Å; E490-K648 IonicContact OE1-NZ 3.48Å; E490-K648 PolarHBondContact OE1-NZ 2.82Å; E490-R652 VanDerWaalsContact CD-NH2 3.34Å; E490-R652 IonicContact OE1-NH2 2.75Å; E490-R652 PolarHBondContact OE1-NH2 3.41Å; E490-R652 VanDerWaalsContact OE1-NH2 3.15Å; E490-R652 IonicContact OE2-CZ 3.17Å; E490-R652 IonicContact OE2-NE 2.65Å; E490-R652 IonicContact OE2-NH2 3.47Å; E490-R652 PolarHBondContact OE2-NH2 2.94Å
491	I	91.5	Very high	90.5	Very high	11 Å²	11	65.4 Å²	65.4	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-47.1	175.1	-66.1	160.7	0	0	0	110.9	L487 A489 N494 T495 Y539 Q540 I543 F544	L487-I491 WeakPolarHBondContact O-CD1 3.46Å; L487-I491 VanDerWaalsContact O-CG1 3.31Å; L487-I491 WeakPolarHBondContact O-CG1 3.29Å; L487-I491 PolarHBondContact O-N 3.46Å; L487-I491 VanDerWaalsContact O-N 3.16Å; A489-I491 VanDerWaalsContact C-N 3.35Å; A489-I491 PolarHBondContact O-N 3.34Å; I491-N494 PolarHBondContact O-N 3.22Å; I491-T495 PolarHBondContact O-N 2.8Å; I491-T495 VanDerWaalsContact O-N 3.16Å; I491-T495 PolarHBondContact O-OG1 3.41Å; I491-Y539 HydrophobicContact CD1-CD1 4.45Å; I491-Y539 HydrophobicContact CD1-CE1 3.89Å; I491-Y539 HydrophobicContact CG1-CE1 4.06Å; I491-Q540 HydrophobicContact CD1-CG 4.3Å; I491-Q540 HydrophobicContact CG2-CG 3.98Å; I491-I543 HydrophobicContact CD1-CB 3.98Å; I491-I543 HydrophobicContact CD1-CG1 4.29Å; I491-I543 HydrophobicContact CD1-CG2 3.78Å; I491-F544 HydrophobicContact CD1-CE2 4.32Å; I491-F544 HydrophobicContact CG2-CE2 4.02Å; I491-F544 HydrophobicContact CG2-CZ 4.38Å
492	T	90.3	Very high	90.7	Very high	91 Å²	91	63.4 Å²	63.4	56%	0.558	33%	0.325	S	S	*	.	H	α-helix	trans	-64.8	-42.5	-176.3	-55.8	0	0	0	0	111.7	R488 A489 T495	R488-T492 WeakPolarHBondContact O-CB 3.4Å; R488-T492 PolarHBondContact O-N 2.87Å; R488-T492 PolarHBondContact O-OG1 3.48Å; A489-T492 PolarHBondContact O-N 3.29Å; A489-T492 VanDerWaalsContact O-N 3.15Å; T492-T495 WeakPolarHBondContact O-CB 3.43Å; T492-T495 PolarHBondContact O-N 2.97Å
493	E	91.2	Very high	90.7	Very high	154 Å²	154	58.8 Å²	58.8	72%	0.72	30%	0.296	S	S	*	.	H	α-helix	trans	-65.6	-37.9	175	-175.1	175.8	-169.3	0	0	111.7	A489 T495 K705	A489-E493 WeakPolarHBondContact O-CB 3.31Å; A489-E493 PolarHBondContact O-N 2.96Å; E493-T495 PolarHBondContact O-N 3.25Å; E493-K705 WeakPolarHBondContact O-CE 3.3Å; E493-K705 PolarHBondContact O-NZ 3.38Å
494	N	91.6	Very high	90.7	Very high	74 Å²	74	62.3 Å²	62.3	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-77.4	-3.8	179.7	-162.2	18.1	0	0	0	114.1	E490 I491 P704 K705	E490-N494 VanDerWaalsContact O-CB 3.3Å; E490-N494 WeakPolarHBondContact O-CB 3.28Å; E490-N494 PolarHBondContact O-N 3.04Å; E490-N494 VanDerWaalsContact O-N 3.11Å; I491-N494 PolarHBondContact O-N 3.22Å; N494-P704 CarbonylContact O-C 3.52Å; N494-P704 WeakPolarHBondContact O-CA 3.5Å; N494-K705 VanDerWaalsContact O-CG 3.3Å; N494-K705 WeakPolarHBondContact O-CG 3.43Å; N494-K705 PolarHBondContact O-N 3.2Å
495	T	91.9	Very high	90.6	Very high	20 Å²	20	68.1 Å²	68.1	12%	0.123	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-72.1	135.5	-174.7	-64.4	0	0	0	0	113.4	I491 T492 E493 S702	I491-T495 PolarHBondContact O-N 2.8Å; I491-T495 VanDerWaalsContact O-N 3.16Å; I491-T495 PolarHBondContact O-OG1 3.41Å; T492-T495 WeakPolarHBondContact O-CB 3.43Å; T492-T495 PolarHBondContact O-N 2.97Å; E493-T495 PolarHBondContact O-N 3.25Å; T495-S702 WeakPolarHBondContact OG1-CB 3.3Å
496	H	91.9	Very high	90.7	Very high	64 Å²	64	62.2 Å²	62.2	30%	0.296	31%	0.311	S	S	.	.			trans	-100.1	93.5	175.6	-172.6	-53.7	0	0	0	111.7	G498 L499 Q500 P703 K705	H496-G498 VanDerWaalsContact C-N 3.26Å; H496-G498 PolarHBondContact ND1-N 3.47Å; H496-G498 PolarHBondContact O-N 2.82Å; H496-L499 HydrophobicContact CB-CB 4.4Å; H496-L499 HydrophobicContact CB-CD1 4.25Å; H496-L499 HydrophobicContact CB-CG 4.36Å; H496-L499 PolarHBondContact ND1-N 3.45Å; H496-L499 PolarHBondContact O-N 2.97Å; H496-Q500 PolarHBondContact O-N 2.93Å; H496-Q500 VanDerWaalsContact O-N 3.09Å; H496-P703 PolarHBondContact N-O 3.44Å; H496-K705 HydrophobicContact CB-CG 4.1Å
497	R	88.9	Confident	90.5	Very high	212 Å²	212	59.9 Å²	59.9	80%	0.8	30%	0.3	S	S	*	.	H	α-helix	trans	-46.5	-39.8	-177.5	-66.7	-174.1	177.4	-166.6	-2.4	115.2	L499 Q500 E501	R497-L499 PolarHBondContact O-N 3.02Å; R497-Q500 WeakPolarHBondContact O-CB 3.37Å; R497-Q500 PolarHBondContact O-N 3.47Å; R497-E501 PolarHBondContact O-N 3.3Å
498	G	87.4	Confident	90.4	Very high	42 Å²	42	61.1 Å²	61.1	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-68.7	-27.8	178.6	0	0	0	0	0	115.5	H496 M502	H496-G498 VanDerWaalsContact C-N 3.26Å; H496-G498 PolarHBondContact ND1-N 3.47Å; H496-G498 PolarHBondContact O-N 2.82Å; G498-M502 PolarHBondContact O-N 3.15Å
499	L	88.2	Confident	90.2	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-81.4	-33.7	172.3	-68.3	-178.2	0	0	0	110	H496 R497 M502 L503 P703 F707 V713	H496-L499 HydrophobicContact CB-CB 4.4Å; H496-L499 HydrophobicContact CB-CD1 4.25Å; H496-L499 HydrophobicContact CB-CG 4.36Å; H496-L499 PolarHBondContact ND1-N 3.45Å; H496-L499 PolarHBondContact O-N 2.97Å; R497-L499 PolarHBondContact O-N 3.02Å; L499-M502 HydrophobicContact CD2-CE 4.05Å; L499-M502 HydrophobicContact CD2-SD 4.46Å; L499-M502 WeakPolarHBondContact O-CB 3.22Å; L499-M502 PolarHBondContact O-N 3.35Å; L499-L503 WeakPolarHBondContact O-CG 3.28Å; L499-L503 PolarHBondContact O-N 3.4Å; L499-P703 HydrophobicContact CB-CB 3.97Å; L499-P703 HydrophobicContact CB-CG 3.54Å; L499-P703 HydrophobicContact CD1-CB 4.45Å; L499-F707 HydrophobicContact CD1-CB 4.07Å; L499-V713 HydrophobicContact CD1-CG2 4.36Å; L499-V713 HydrophobicContact CD2-CB 4.36Å; L499-V713 HydrophobicContact CD2-CG1 4.05Å; L499-V713 HydrophobicContact CD2-CG2 4.19Å
500	Q	89.6	Confident	90	Very high	45 Å²	45	56 Å²	56	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-49.9	174.6	-165.5	175.9	30.5	0	0	111	H496 R497 M502 L503 Q504 S702 P703	H496-Q500 PolarHBondContact O-N 2.93Å; H496-Q500 VanDerWaalsContact O-N 3.09Å; R497-Q500 WeakPolarHBondContact O-CB 3.37Å; R497-Q500 PolarHBondContact O-N 3.47Å; Q500-M502 VanDerWaalsContact C-N 3.32Å; Q500-M502 PolarHBondContact O-N 2.87Å; Q500-L503 PolarHBondContact O-N 2.87Å; Q500-Q504 WeakPolarHBondContact O-CB 3.48Å; Q500-Q504 VanDerWaalsContact O-CG 3.27Å; Q500-Q504 WeakPolarHBondContact O-CG 3.43Å; Q500-Q504 PolarHBondContact O-N 3.32Å; Q500-S702 PolarHBondContact NE2-OG 3.4Å; Q500-S702 VanDerWaalsContact NE2-OG 3.1Å; Q500-P703 HydrophobicContact CB-CG 4.08Å; Q500-P703 VanDerWaalsContact N-CG 3.33Å
501	E	88.7	Confident	89.6	Confident	87 Å²	87	52.9 Å²	52.9	41%	0.407	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-41.5	174.8	179.1	171.6	-148.1	0	0	112	R497 L503 Q504 K505	R497-E501 PolarHBondContact O-N 3.3Å; E501-L503 PolarHBondContact O-N 3.11Å; E501-Q504 PolarHBondContact O-N 3.23Å; E501-K505 HydrophobicContact CG-CD 3.87Å; E501-K505 WeakPolarHBondContact O-CB 3.3Å; E501-K505 PolarHBondContact O-N 2.94Å; E501-K505 IonicContact OE1-NZ 3.83Å; E501-K505 PolarHBondContact OE1-NZ 3.39Å
502	M	90.7	Very high	89.4	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-45.6	175.6	-179.7	-165.2	72.3	0	0	111.8	G498 L499 Q500 H506 I519 H521 Y526 L528 V713	G498-M502 PolarHBondContact O-N 3.15Å; L499-M502 HydrophobicContact CD2-CE 4.05Å; L499-M502 HydrophobicContact CD2-SD 4.46Å; L499-M502 WeakPolarHBondContact O-CB 3.22Å; L499-M502 PolarHBondContact O-N 3.35Å; Q500-M502 VanDerWaalsContact C-N 3.32Å; Q500-M502 PolarHBondContact O-N 2.87Å; M502-H506 WeakPolarHBondContact O-CA 3.45Å; M502-H506 WeakPolarHBondContact O-CB 3.33Å; M502-H506 PolarHBondContact O-N 3.2Å; M502-I519 HydrophobicContact CE-CD1 4.18Å; M502-I519 HydrophobicContact CG-CD1 4.17Å; M502-I519 HydrophobicContact SD-CD1 4.31Å; M502-H521 HydrophobicContact CG-CB 3.81Å; M502-Y526 HydrophobicContact SD-CD1 3.98Å; M502-Y526 HydrophobicContact SD-CD2 4.09Å; M502-Y526 HydrophobicContact SD-CE1 3.89Å; M502-Y526 HydrophobicContact SD-CE2 4.02Å; M502-Y526 HydrophobicContact SD-CG 4.06Å; M502-L528 HydrophobicContact CE-CD2 4.13Å; M502-V713 HydrophobicContact CE-CG1 3.79Å; M502-V713 HydrophobicContact CE-CG2 4.38Å; M502-V713 HydrophobicContact SD-CG1 4.16Å
503	L	90.3	Very high	89.1	Confident	1 Å²	1	53 Å²	53	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-76.4	-29.4	-179.4	-67.8	175.1	0	0	0	112.7	L499 Q500 E501 H506 I519 L528 L533 R698 F701 P703	L499-L503 WeakPolarHBondContact O-CG 3.28Å; L499-L503 PolarHBondContact O-N 3.4Å; Q500-L503 PolarHBondContact O-N 2.87Å; E501-L503 PolarHBondContact O-N 3.11Å; L503-H506 PolarHBondContact O-ND1 3.25Å; L503-I519 HydrophobicContact CD2-CD1 4.17Å; L503-L528 HydrophobicContact CD2-CD1 3.72Å; L503-L533 HydrophobicContact CD1-CD2 4.35Å; L503-R698 WeakPolarHBondContact O-CG 3.44Å; L503-F701 HydrophobicContact CD1-CD1 3.55Å; L503-F701 HydrophobicContact CD1-CE1 3.52Å; L503-P703 HydrophobicContact CD1-CB 4.36Å; L503-P703 HydrophobicContact CD1-CG 4.18Å
504	Q	90.6	Very high	88.6	Confident	88 Å²	88	45.9 Å²	45.9	41%	0.411	23%	0.229	S	C	.	.	H	α-helix	trans	-64.5	-43.1	169.3	-73.6	172.4	-11.7	0	0	112.2	Q500 E501	Q500-Q504 WeakPolarHBondContact O-CB 3.48Å; Q500-Q504 VanDerWaalsContact O-CG 3.27Å; Q500-Q504 WeakPolarHBondContact O-CG 3.43Å; Q500-Q504 PolarHBondContact O-N 3.32Å; E501-Q504 PolarHBondContact O-N 3.23Å
505	K	89.6	Confident	88.5	Confident	125 Å²	125	45.2 Å²	45.2	54%	0.543	22%	0.223	S	C	.	.	S	Bend	trans	-104.5	15	-171.4	-59.5	178.8	-173.8	174.1	0	114.1	E501	E501-K505 HydrophobicContact CG-CD 3.87Å; E501-K505 WeakPolarHBondContact O-CB 3.3Å; E501-K505 PolarHBondContact O-N 2.94Å; E501-K505 IonicContact OE1-NZ 3.83Å; E501-K505 PolarHBondContact OE1-NZ 3.39Å
506	H	91.1	Very high	88.5	Confident	6 Å²	6	47 Å²	47	3%	0.028	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-69.5	146.3	-178.9	81.3	-86.2	0	0	0	112.7	M502 L503 I519 F694 R698	M502-H506 WeakPolarHBondContact O-CA 3.45Å; M502-H506 WeakPolarHBondContact O-CB 3.33Å; M502-H506 PolarHBondContact O-N 3.2Å; L503-H506 PolarHBondContact O-ND1 3.25Å; H506-I519 HydrophobicContact CB-CB 4.09Å; H506-I519 HydrophobicContact CB-CD1 3.57Å; H506-I519 HydrophobicContact CB-CG1 4.42Å; H506-I519 HydrophobicContact CB-CG2 4.29Å; H506-F694 AromaticContact CE1-CD1 3.69Å; H506-F694 PolarHBondContact CE1-O 3.5Å; H506-F694 VanDerWaalsContact CE1-O 3.32Å; H506-F694 AromaticContact NE2-CD1 3.46Å; H506-F694 WeakPolarHBondContact NE2-CD1 3.31Å; H506-R698 PolarHBondContact CE1-NE 3.5Å; H506-R698 VanDerWaalsContact CE1-NE 3.27Å; H506-R698 PolarHBondContact O-NH2 2.6Å
507	S	88.8	Confident	88.5	Confident	23 Å²	23	44 Å²	44	16%	0.161	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.9	159.2	-170.1	0	0	0	0	108.6	I519 Q520	S507-I519 WeakPolarHBondContact O-CA 3.47Å; S507-Q520 PolarHBondContact N-O 3.36Å; S507-Q520 PolarHBondContact O-N 3.06Å
508	F	90.3	Very high	88.6	Confident	26 Å²	26	34.8 Å²	34.8	11%	0.114	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.9	179.8	-177.9	-95.4	0	0	0	110	G510 I519 V689 E690 F694	F508-G510 VanDerWaalsContact CE1-CA 3.48Å; F508-I519 HydrophobicContact CD2-CG2 4.39Å; F508-V689 HydrophobicContact CE2-CG1 4.26Å; F508-V689 HydrophobicContact CZ-CG1 4.4Å; F508-E690 HydrophobicContact CD1-CB 4.1Å; F508-E690 VanDerWaalsContact CD1-CD 3.44Å; F508-E690 HydrophobicContact CD1-CG 3.54Å; F508-E690 WeakPolarHBondContact CD1-OE1 3.42Å; F508-E690 HydrophobicContact CE1-CB 3.68Å; F508-E690 HydrophobicContact CE1-CG 3.64Å; F508-E690 HydrophobicContact CG-CG 4.1Å; F508-E690 HydrophobicContact CZ-CB 3.92Å; F508-E690 HydrophobicContact CZ-CG 4.29Å; F508-F694 HydrophobicContact CD2-CB 4.22Å; F508-F694 HydrophobicContact CD2-CD1 4.11Å; F508-F694 AromaticContact CD2-CD2 3.69Å; F508-F694 HydrophobicContact CD2-CD2 3.69Å; F508-F694 HydrophobicContact CD2-CE1 4.48Å; F508-F694 HydrophobicContact CD2-CE2 4.08Å; F508-F694 AromaticContact CD2-CG 3.72Å; F508-F694 HydrophobicContact CD2-CG 3.72Å; F508-F694 HydrophobicContact CD2-CZ 4.46Å; F508-F694 AromaticContact CE2-CD2 3.48Å; F508-F694 HydrophobicContact CE2-CD2 3.48Å; F508-F694 VanDerWaalsContact CE2-CD2 3.48Å; F508-F694 AromaticContact CE2-CE2 3.68Å; F508-F694 HydrophobicContact CE2-CE2 3.68Å; F508-F694 HydrophobicContact CE2-CG 4.02Å; F508-F694 HydrophobicContact CE2-CZ 4.37Å
509	V	88.3	Confident	88.8	Confident	16 Å²	16	32.8 Å²	32.8	10%	0.097	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-40.9	-174.6	-179.8	0	0	0	0	111.6	L384 L518 Q520 L525	L384-V509 HydrophobicContact CB-CG1 4.47Å; L384-V509 VanDerWaalsContact CB-O 3.22Å; L384-V509 WeakPolarHBondContact CB-O 3.3Å; L384-V509 PolarHBondContact N-O 3.07Å; V509-L518 HydrophobicContact CB-CB 3.92Å; V509-L518 WeakPolarHBondContact CB-O 3.48Å; V509-L518 HydrophobicContact CG1-CB 4.3Å; V509-L518 PolarHBondContact N-O 3Å; V509-Q520 HydrophobicContact CG2-CB 3.87Å; V509-L525 HydrophobicContact CG2-CD1 4.07Å
510	G	86.3	Confident	88.8	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.4	163.9	177.9	0	0	0	0	0	113.2	F508 L518	F508-G510 VanDerWaalsContact CE1-CA 3.48Å; G510-L518 PolarHBondContact N-O 3.29Å; G510-L518 PolarHBondContact O-N 3.43Å
511	C	85.5	Confident	88.8	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.034	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	140.1	170.4	-57.6	0	0	0	0	110	W685 R686	C511-W685 HydrophobicContact CB-CH2 3.71Å; C511-W685 HydrophobicContact CB-CZ3 3.69Å; C511-R686 HydrophobicContact CB-CG 4.3Å
512	V	85.6	Confident	88.7	Confident	80 Å²	80	33.5 Å²	33.5	49%	0.485	16%	0.163	S	C	.	.	S	Bend	trans	-91.8	-49.6	169.5	-176.3	0	0	0	0	109.4	W516 L518 L527	V512-W516 WeakPolarHBondContact CA-O 3.47Å; V512-W516 HydrophobicContact CB-CB 4.33Å; V512-W516 WeakPolarHBondContact CB-O 3.32Å; V512-W516 PolarHBondContact N-O 3.42Å; V512-L518 HydrophobicContact CG2-CD1 3.8Å; V512-L518 HydrophobicContact CG2-CG 3.72Å; V512-L527 HydrophobicContact CG2-CD1 3.96Å
513	D	83.8	Confident	88.3	Confident	25 Å²	25	35.3 Å²	35.3	13%	0.134	17%	0.174	C	C	.	.	S	Bend	trans	-151.2	-177.5	168.8	78.4	5.8	0	0	0	108.9	Q515 W516 K666	D513-Q515 PolarHBondContact O-N 3.18Å; D513-Q515 WeakPolarHBondContact OD1-CA 3.46Å; D513-Q515 WeakPolarHBondContact OD1-CB 3.37Å; D513-Q515 PolarHBondContact OD1-N 2.93Å; D513-W516 PolarHBondContact N-O 3.09Å; D513-W516 PolarHBondContact O-N 2.8Å; D513-W516 VanDerWaalsContact O-O 3.06Å; D513-W516 PolarHBondContact OD1-N 3.26Å; D513-K666 WeakPolarHBondContact OD2-CE 3.22Å; D513-K666 IonicContact OD2-NZ 2.75Å; D513-K666 PolarHBondContact OD2-NZ 2.85Å
514	P	82.6	Confident	88.1	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.019	19%	0.188	C	C	.	.	S	Bend	trans	-63.9	-18.2	-178.8	-24	34.5	0	0	0	115.2	I664 K666 V669 W685	P514-I664 HydrophobicContact CB-CG2 4.15Å; P514-K666 HydrophobicContact CB-CB 4.27Å; P514-K666 HydrophobicContact CG-CG 4.37Å; P514-V669 HydrophobicContact CB-CB 4.03Å; P514-V669 HydrophobicContact CB-CG1 4.08Å; P514-V669 HydrophobicContact CB-CG2 4.06Å; P514-V669 HydrophobicContact CG-CB 3.79Å; P514-V669 HydrophobicContact CG-CG1 3.53Å; P514-V669 HydrophobicContact CG-CG2 4.36Å; P514-W685 HydrophobicContact CB-CE3 4.37Å; P514-W685 HydrophobicContact CB-CH2 4.42Å; P514-W685 HydrophobicContact CB-CZ3 4.3Å; P514-W685 HydrophobicContact CG-CD2 4.33Å; P514-W685 HydrophobicContact CG-CE3 4.46Å; P514-W685 HydrophobicContact CG-CH2 3.97Å; P514-W685 HydrophobicContact CG-CZ2 3.77Å; P514-W685 HydrophobicContact CG-CZ3 4.3Å
515	Q	88.9	Confident	88	Confident	60 Å²	60	36.7 Å²	36.7	28%	0.28	18%	0.181	S	C	.	.	S	Bend	trans	-92.9	-32.3	177.7	-178.2	-176.6	-7.2	0	0	111.6	D513 N529 T530	D513-Q515 PolarHBondContact O-N 3.18Å; D513-Q515 WeakPolarHBondContact OD1-CA 3.46Å; D513-Q515 WeakPolarHBondContact OD1-CB 3.37Å; D513-Q515 PolarHBondContact OD1-N 2.93Å; Q515-N529 CarbonylContact O-C 3.51Å; Q515-N529 WeakPolarHBondContact O-CA 3.37Å; Q515-T530 PolarHBondContact O-N 2.9Å
516	W	90.7	Very high	88.1	Confident	59 Å²	59	32.2 Å²	32.2	22%	0.223	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.4	-169.9	-62	99.7	0	0	0	113.6	V512 D513 L527 L528 N529 L714	V512-W516 WeakPolarHBondContact CA-O 3.47Å; V512-W516 HydrophobicContact CB-CB 4.33Å; V512-W516 WeakPolarHBondContact CB-O 3.32Å; V512-W516 PolarHBondContact N-O 3.42Å; D513-W516 PolarHBondContact N-O 3.09Å; D513-W516 PolarHBondContact O-N 2.8Å; D513-W516 VanDerWaalsContact O-O 3.06Å; D513-W516 PolarHBondContact OD1-N 3.26Å; W516-L527 HydrophobicContact CB-CD1 4.19Å; W516-L527 HydrophobicContact CB-CG 4.34Å; W516-L527 HydrophobicContact CD2-CD2 3.97Å; W516-L527 HydrophobicContact CD2-CG 4.29Å; W516-L527 HydrophobicContact CE3-CD2 3.61Å; W516-L527 HydrophobicContact CE3-CG 3.66Å; W516-L527 HydrophobicContact CG-CD2 4.39Å; W516-L527 HydrophobicContact CZ3-CD2 4.07Å; W516-L527 HydrophobicContact CZ3-CG 4.31Å; W516-L528 WeakPolarHBondContact CA-O 3.4Å; W516-N529 HydrophobicContact CE3-CB 3.96Å; W516-N529 HydrophobicContact CH2-CB 3.97Å; W516-N529 HydrophobicContact CZ3-CB 3.63Å; W516-L714 HydrophobicContact CH2-CD1 4.37Å; W516-L714 HydrophobicContact CZ3-CD1 4.35Å
517	S	91.8	Very high	88.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.4	175.7	-62.3	0	0	0	0	112.5	L528 T530	S517-L528 PolarHBondContact N-O 3.25Å; S517-L528 PolarHBondContact O-N 3.21Å; S517-T530 WeakPolarHBondContact CB-OG1 3.32Å; S517-T530 PolarHBondContact OG-OG1 2.87Å
518	L	92.3	Very high	88.3	Confident	18 Å²	18	32.5 Å²	32.5	9%	0.094	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.7	178.3	-71.6	169	0	0	0	111.6	L384 V509 G510 V512 L525 Y526 L527 I716	L384-L518 HydrophobicContact CD1-CD1 4.32Å; L384-L518 HydrophobicContact CD2-CD1 4.07Å; V509-L518 HydrophobicContact CB-CB 3.92Å; V509-L518 WeakPolarHBondContact CB-O 3.48Å; V509-L518 HydrophobicContact CG1-CB 4.3Å; V509-L518 PolarHBondContact N-O 3Å; G510-L518 PolarHBondContact N-O 3.29Å; G510-L518 PolarHBondContact O-N 3.43Å; V512-L518 HydrophobicContact CG2-CD1 3.8Å; V512-L518 HydrophobicContact CG2-CG 3.72Å; L518-L525 HydrophobicContact CD2-CD2 4.36Å; L518-L525 HydrophobicContact CD2-CG 4.34Å; L518-Y526 WeakPolarHBondContact CA-O 3.49Å; L518-L527 HydrophobicContact CD2-CD1 3.65Å; L518-L527 HydrophobicContact CG-CD1 4.15Å; L518-I716 HydrophobicContact CD2-CD1 3.35Å
519	I	92.2	Very high	88.5	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.5	166.5	66	158.1	0	0	0	111.6	M502 L503 H506 S507 F508 Y526 L528 F694	M502-I519 HydrophobicContact CE-CD1 4.18Å; M502-I519 HydrophobicContact CG-CD1 4.17Å; M502-I519 HydrophobicContact SD-CD1 4.31Å; L503-I519 HydrophobicContact CD2-CD1 4.17Å; H506-I519 HydrophobicContact CB-CB 4.09Å; H506-I519 HydrophobicContact CB-CD1 3.57Å; H506-I519 HydrophobicContact CB-CG1 4.42Å; H506-I519 HydrophobicContact CB-CG2 4.29Å; S507-I519 WeakPolarHBondContact O-CA 3.47Å; F508-I519 HydrophobicContact CD2-CG2 4.39Å; I519-Y526 PolarHBondContact N-O 3.04Å; I519-Y526 PolarHBondContact O-N 3.46Å; I519-L528 HydrophobicContact CB-CD1 4.36Å; I519-L528 HydrophobicContact CD1-CD1 3.64Å; I519-L528 HydrophobicContact CD1-CG 4.34Å; I519-L528 HydrophobicContact CG1-CD1 3.64Å; I519-L528 HydrophobicContact CG1-CG 4.05Å; I519-L528 HydrophobicContact CG2-CD1 3.83Å; I519-F694 HydrophobicContact CG2-CD1 4.08Å; I519-F694 HydrophobicContact CG2-CE1 3.53Å; I519-F694 HydrophobicContact CG2-CZ 4.13Å
520	Q	87.4	Confident	88.6	Confident	19 Å²	19	31.3 Å²	31.3	9%	0.089	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.1	167.2	177.8	158.7	16.7	0	0	109.4	V375 S507 V509 H522 K524 L525	V375-Q520 HydrophobicContact CG1-CG 4.44Å; S507-Q520 PolarHBondContact N-O 3.36Å; S507-Q520 PolarHBondContact O-N 3.06Å; V509-Q520 HydrophobicContact CG2-CB 3.87Å; Q520-H522 PolarHBondContact NE2-O 3.08Å; Q520-K524 WeakPolarHBondContact CA-O 3.22Å; Q520-L525 HydrophobicContact CB-CD1 4.46Å
521	H	88.6	Confident	88.9	Confident	21 Å²	21	32.7 Å²	32.7	10%	0.097	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.1	170.9	179	-119.5	0	0	0	108.4	M502 K524 Y526	M502-H521 HydrophobicContact CG-CB 3.81Å; H521-K524 PolarHBondContact N-O 2.59Å; H521-K524 PolarHBondContact O-N 3.02Å; H521-K524 VanDerWaalsContact O-N 3.15Å; H521-Y526 HydrophobicContact CB-CD2 4.43Å; H521-Y526 HydrophobicContact CB-CE2 4.01Å
522	H	87.5	Confident	89.2	Confident	123 Å²	123	33.3 Å²	33.3	57%	0.569	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	-136.8	-166.8	-62.2	76.4	0	0	0	111.5	V375 Q520 K524	V375-H522 WeakPolarHBondContact CG1-O 3.44Å; V375-H522 WeakPolarHBondContact CG2-O 3.4Å; Q520-H522 PolarHBondContact NE2-O 3.08Å; H522-K524 PolarHBondContact O-N 3.16Å
523	T	82.4	Confident	89.6	Confident	42 Å²	42	29.5 Å²	29.5	26%	0.258	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.2	180	61	0	0	0	0	114.5	V375 N718 L719 P720	V375-T523 HydrophobicContact CG2-CG2 3.98Å; T523-N718 PolarHBondContact O-OD1 3.1Å; T523-N718 PolarHBondContact OG1-OD1 2.79Å; T523-L719 WeakPolarHBondContact O-CB 3.41Å; T523-L719 PolarHBondContact O-N 3.04Å; T523-P720 HydrophobicContact CG2-CG 4.35Å
524	K	86	Confident	90	Very high	72 Å²	72	28.3 Å²	28.3	31%	0.313	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.8	-169.7	-68	175.7	170.8	-157.8	0	111.9	Q520 H521 H522 Y526 Q715 A717 N718	Q520-K524 WeakPolarHBondContact CA-O 3.22Å; H521-K524 PolarHBondContact N-O 2.59Å; H521-K524 PolarHBondContact O-N 3.02Å; H521-K524 VanDerWaalsContact O-N 3.15Å; H522-K524 PolarHBondContact O-N 3.16Å; K524-Y526 HydrophobicContact CB-CD2 4.21Å; K524-Y526 HydrophobicContact CB-CE2 3.41Å; K524-Y526 VanDerWaalsContact CB-CE2 3.41Å; K524-Y526 HydrophobicContact CD-CE2 4.41Å; K524-Y526 VanDerWaalsContact CD-OH 3.22Å; K524-Y526 WeakPolarHBondContact CD-OH 3.46Å; K524-Q715 HydrophobicContact CB-CG 4.33Å; K524-Q715 HydrophobicContact CD-CG 4.32Å; K524-Q715 VanDerWaalsContact CD-OE1 3.23Å; K524-Q715 HydrophobicContact CG-CG 4.45Å; K524-A717 WeakPolarHBondContact CA-O 3.45Å; K524-N718 HydrophobicContact CG-CB 4.34Å; K524-N718 WeakPolarHBondContact CG-OD1 3.33Å
525	L	88.9	Confident	90.6	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.246	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.5	173.5	-172.7	76.1	0	0	0	108.9	V509 L518 Q520 I716 A717	V509-L525 HydrophobicContact CG2-CD1 4.07Å; L518-L525 HydrophobicContact CD2-CD2 4.36Å; L518-L525 HydrophobicContact CD2-CG 4.34Å; Q520-L525 HydrophobicContact CB-CD1 4.46Å; L525-I716 HydrophobicContact CD2-CD1 4.35Å; L525-I716 PolarHBondContact O-N 3.28Å; L525-A717 HydrophobicContact CB-CB 4.3Å; L525-A717 PolarHBondContact N-O 3.1Å; L525-A717 PolarHBondContact O-N 3.03Å
526	Y	90.8	Very high	90.8	Very high	31 Å²	31	32.6 Å²	32.6	12%	0.122	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.1	-178.1	-58.3	-99	0	0	0	111	M502 L518 I519 H521 K524 V713 L714 Q715	M502-Y526 HydrophobicContact SD-CD1 3.98Å; M502-Y526 HydrophobicContact SD-CD2 4.09Å; M502-Y526 HydrophobicContact SD-CE1 3.89Å; M502-Y526 HydrophobicContact SD-CE2 4.02Å; M502-Y526 HydrophobicContact SD-CG 4.06Å; L518-Y526 WeakPolarHBondContact CA-O 3.49Å; I519-Y526 PolarHBondContact N-O 3.04Å; I519-Y526 PolarHBondContact O-N 3.46Å; H521-Y526 HydrophobicContact CB-CD2 4.43Å; H521-Y526 HydrophobicContact CB-CE2 4.01Å; K524-Y526 HydrophobicContact CB-CD2 4.21Å; K524-Y526 HydrophobicContact CB-CE2 3.41Å; K524-Y526 VanDerWaalsContact CB-CE2 3.41Å; K524-Y526 HydrophobicContact CD-CE2 4.41Å; K524-Y526 VanDerWaalsContact CD-OH 3.22Å; K524-Y526 WeakPolarHBondContact CD-OH 3.46Å; Y526-V713 HydrophobicContact CD1-CG1 4Å; Y526-L714 CarbonylContact C-O 3.6Å; Y526-L714 VanDerWaalsContact CA-O 3.28Å; Y526-L714 WeakPolarHBondContact CA-O 3.37Å; Y526-Q715 HydrophobicContact CD1-CB 3.87Å; Y526-Q715 HydrophobicContact CD1-CG 4.2Å; Y526-Q715 HydrophobicContact CE1-CB 3.84Å; Y526-Q715 HydrophobicContact CE1-CG 3.94Å
527	L	92.6	Very high	91	Very high	35 Å²	35	29.8 Å²	29.8	18%	0.183	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137.5	160.6	-157.2	68.2	0	0	0	108.3	V512 W516 L518 L714 I716	V512-L527 HydrophobicContact CG2-CD1 3.96Å; W516-L527 HydrophobicContact CB-CD1 4.19Å; W516-L527 HydrophobicContact CB-CG 4.34Å; W516-L527 HydrophobicContact CD2-CD2 3.97Å; W516-L527 HydrophobicContact CD2-CG 4.29Å; W516-L527 HydrophobicContact CE3-CD2 3.61Å; W516-L527 HydrophobicContact CE3-CG 3.66Å; W516-L527 HydrophobicContact CG-CD2 4.39Å; W516-L527 HydrophobicContact CZ3-CD2 4.07Å; W516-L527 HydrophobicContact CZ3-CG 4.31Å; L518-L527 HydrophobicContact CD2-CD1 3.65Å; L518-L527 HydrophobicContact CG-CD1 4.15Å; L527-L714 HydrophobicContact CB-CB 4.28Å; L527-L714 PolarHBondContact N-O 2.93Å; L527-L714 PolarHBondContact O-N 3.16Å; L527-I716 HydrophobicContact CB-CD1 3.91Å; L527-I716 HydrophobicContact CB-CG1 3.97Å; L527-I716 HydrophobicContact CD1-CD1 4.2Å
528	L	92.9	Very high	91.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.8	-179.8	-67.3	-176.7	0	0	0	110.4	M502 L503 W516 S517 I519 T530 L533 F694 T712 V713	M502-L528 HydrophobicContact CE-CD2 4.13Å; L503-L528 HydrophobicContact CD2-CD1 3.72Å; W516-L528 WeakPolarHBondContact CA-O 3.4Å; S517-L528 PolarHBondContact N-O 3.25Å; S517-L528 PolarHBondContact O-N 3.21Å; I519-L528 HydrophobicContact CB-CD1 4.36Å; I519-L528 HydrophobicContact CD1-CD1 3.64Å; I519-L528 HydrophobicContact CD1-CG 4.34Å; I519-L528 HydrophobicContact CG1-CD1 3.64Å; I519-L528 HydrophobicContact CG1-CG 4.05Å; I519-L528 HydrophobicContact CG2-CD1 3.83Å; L528-T530 PolarHBondContact O-N 3.48Å; L528-T530 VanDerWaalsContact O-N 3.14Å; L528-L533 HydrophobicContact CB-CD1 3.71Å; L528-L533 HydrophobicContact CD1-CD1 4.12Å; L528-L533 HydrophobicContact CD2-CD1 4.21Å; L528-L533 HydrophobicContact CG-CD1 4.25Å; L528-F694 HydrophobicContact CD1-CE1 3.58Å; L528-F694 HydrophobicContact CD1-CZ 3.79Å; L528-T712 WeakPolarHBondContact CA-O 3.3Å; L528-V713 HydrophobicContact CD2-CB 4.14Å; L528-V713 HydrophobicContact CD2-CG1 3.87Å; L528-V713 HydrophobicContact CD2-CG2 3.78Å
529	N	93.3	Very high	91.3	Very high	16 Å²	16	30.1 Å²	30.1	9%	0.086	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	93.4	171.6	-173.5	-26.6	0	0	0	109.7	Q515 W516 T531 T532 L533 T712	Q515-N529 CarbonylContact O-C 3.51Å; Q515-N529 WeakPolarHBondContact O-CA 3.37Å; W516-N529 HydrophobicContact CE3-CB 3.96Å; W516-N529 HydrophobicContact CH2-CB 3.97Å; W516-N529 HydrophobicContact CZ3-CB 3.63Å; N529-T531 VanDerWaalsContact C-N 3.27Å; N529-T531 PolarHBondContact O-N 3.27Å; N529-T531 WeakPolarHBondContact OD1-CB 3.46Å; N529-T531 PolarHBondContact OD1-N 3Å; N529-T532 VanDerWaalsContact CG-OG1 3.27Å; N529-T532 PolarHBondContact ND2-OG1 2.92Å; N529-T532 VanDerWaalsContact ND2-OG1 3.14Å; N529-T532 PolarHBondContact O-N 3.49Å; N529-T532 PolarHBondContact OD1-N 2.94Å; N529-T532 PolarHBondContact OD1-OG1 2.97Å; N529-L533 WeakPolarHBondContact O-CB 3.44Å; N529-L533 VanDerWaalsContact O-CG 3.28Å; N529-L533 WeakPolarHBondContact O-CG 3.27Å; N529-L533 PolarHBondContact O-N 3.25Å; N529-T712 HydrophobicContact CB-CG2 4.28Å; N529-T712 PolarHBondContact N-O 3.39Å
530	T	91.6	Very high	91.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-31.7	179.9	-54.6	0	0	0	0	112.4	Q515 S517 L528 S534 V689 L693	Q515-T530 PolarHBondContact O-N 2.9Å; S517-T530 WeakPolarHBondContact CB-OG1 3.32Å; S517-T530 PolarHBondContact OG-OG1 2.87Å; L528-T530 PolarHBondContact O-N 3.48Å; L528-T530 VanDerWaalsContact O-N 3.14Å; T530-S534 WeakPolarHBondContact O-CB 3.44Å; T530-S534 PolarHBondContact O-N 3.24Å; T530-S534 PolarHBondContact O-OG 3.46Å; T530-V689 HydrophobicContact CG2-CG1 4.12Å; T530-V689 HydrophobicContact CG2-CG2 4.11Å; T530-L693 HydrophobicContact CG2-CD1 4.35Å
531	T	91.4	Very high	91.6	Very high	29 Å²	29	29.6 Å²	29.6	18%	0.178	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-51.2	173.4	-56.9	0	0	0	0	111.1	N529 S534 R535 I664 R665	N529-T531 VanDerWaalsContact C-N 3.27Å; N529-T531 PolarHBondContact O-N 3.27Å; N529-T531 WeakPolarHBondContact OD1-CB 3.46Å; N529-T531 PolarHBondContact OD1-N 3Å; T531-S534 PolarHBondContact O-OG 3.2Å; T531-R535 WeakPolarHBondContact O-CB 3.36Å; T531-R535 PolarHBondContact O-N 3.18Å; T531-R535 VanDerWaalsContact O-N 3.13Å; T531-I664 WeakPolarHBondContact CA-O 3.29Å; T531-I664 VanDerWaalsContact CB-O 3.29Å; T531-I664 WeakPolarHBondContact CB-O 3.17Å; T531-I664 VanDerWaalsContact CG2-O 3.31Å; T531-I664 WeakPolarHBondContact CG2-O 3.46Å; T531-I664 PolarHBondContact OG1-O 2.84Å; T531-R665 HydrophobicContact CG2-CG 4.45Å
532	T	92.8	Very high	91.8	Very high	19 Å²	19	28.6 Å²	28.6	12%	0.117	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-43.6	179.3	-55.2	0	0	0	0	111.9	N529 E536 F707 T712	N529-T532 VanDerWaalsContact CG-OG1 3.27Å; N529-T532 PolarHBondContact ND2-OG1 2.92Å; N529-T532 VanDerWaalsContact ND2-OG1 3.14Å; N529-T532 PolarHBondContact O-N 3.49Å; N529-T532 PolarHBondContact OD1-N 2.94Å; N529-T532 PolarHBondContact OD1-OG1 2.97Å; T532-E536 PolarHBondContact O-N 3.27Å; T532-E536 VanDerWaalsContact O-N 3.1Å; T532-F707 HydrophobicContact CG2-CE1 3.74Å; T532-F707 HydrophobicContact CG2-CE2 4.29Å; T532-F707 HydrophobicContact CG2-CZ 3.61Å; T532-T712 HydrophobicContact CG2-CG2 4.05Å; T532-T712 WeakPolarHBondContact CG2-OG1 3.09Å
533	L	92.9	Very high	92.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.9	-41.5	-179.7	-68.8	166.1	0	0	0	112.6	L503 L528 N529 E536 L537 F697 F701 F707 T712	L503-L533 HydrophobicContact CD1-CD2 4.35Å; L528-L533 HydrophobicContact CB-CD1 3.71Å; L528-L533 HydrophobicContact CD1-CD1 4.12Å; L528-L533 HydrophobicContact CD2-CD1 4.21Å; L528-L533 HydrophobicContact CG-CD1 4.25Å; N529-L533 WeakPolarHBondContact O-CB 3.44Å; N529-L533 VanDerWaalsContact O-CG 3.28Å; N529-L533 WeakPolarHBondContact O-CG 3.27Å; N529-L533 PolarHBondContact O-N 3.25Å; L533-E536 PolarHBondContact O-N 3.09Å; L533-L537 WeakPolarHBondContact O-CB 3.02Å; L533-L537 PolarHBondContact O-N 3.02Å; L533-F697 HydrophobicContact CB-CE1 3.93Å; L533-F697 HydrophobicContact CB-CE2 4.24Å; L533-F697 HydrophobicContact CB-CZ 3.59Å; L533-F697 WeakPolarHBondContact O-CE1 3.31Å; L533-F701 HydrophobicContact CD2-CE1 3.65Å; L533-F701 HydrophobicContact CD2-CZ 3.81Å; L533-F707 HydrophobicContact CD2-CD2 3.77Å; L533-F707 HydrophobicContact CD2-CE2 3.94Å; L533-T712 HydrophobicContact CD1-CG2 4.49Å; L533-T712 HydrophobicContact CD2-CG2 3.87Å; L533-T712 HydrophobicContact CG-CG2 3.82Å
534	S	93.3	Very high	92.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-40.7	178	58.2	0	0	0	0	111.9	T530 T531 E536 L537 F538 I664	T530-S534 WeakPolarHBondContact O-CB 3.44Å; T530-S534 PolarHBondContact O-N 3.24Å; T530-S534 PolarHBondContact O-OG 3.46Å; T531-S534 PolarHBondContact O-OG 3.2Å; S534-E536 PolarHBondContact O-N 3.46Å; S534-L537 PolarHBondContact O-N 2.94Å; S534-F538 WeakPolarHBondContact O-CD2 3.29Å; S534-F538 PolarHBondContact O-N 3.38Å; S534-I664 PolarHBondContact OG-N 2.83Å
535	R	94.3	Very high	92.5	Very high	116 Å²	116	20.8 Å²	20.8	44%	0.438	10%	0.096	S	C	.	.	H	α-helix	trans	-56.5	-48.7	172.1	-173.6	177.3	63.6	-169.6	-2	111.8	T531 L537 F538 Y539 S659 A660	T531-R535 WeakPolarHBondContact O-CB 3.36Å; T531-R535 PolarHBondContact O-N 3.18Å; T531-R535 VanDerWaalsContact O-N 3.13Å; R535-L537 PolarHBondContact O-N 3.03Å; R535-F538 PolarHBondContact O-N 3.34Å; R535-Y539 PolarHBondContact O-N 2.92Å; R535-S659 WeakPolarHBondContact CG-OG 2.93Å; R535-S659 WeakPolarHBondContact O-CB 3.19Å; R535-S659 PolarHBondContact O-OG 3.24Å; R535-A660 HydrophobicContact CG-CB 4.46Å
536	E	94.3	Very high	92.5	Very high	37 Å²	37	18.6 Å²	18.6	17%	0.173	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-38.6	179.6	-173.4	59.3	-148.2	0	0	112	T532 L533 S534 Y539 Q540 F701 P704 F707	T532-E536 PolarHBondContact O-N 3.27Å; T532-E536 VanDerWaalsContact O-N 3.1Å; L533-E536 PolarHBondContact O-N 3.09Å; S534-E536 PolarHBondContact O-N 3.46Å; E536-Y539 PolarHBondContact O-N 3.24Å; E536-Q540 VanDerWaalsContact O-CG 3.28Å; E536-Q540 WeakPolarHBondContact O-CG 3.44Å; E536-Q540 PolarHBondContact O-N 3.27Å; E536-Q540 PolarHBondContact OE1-NE2 2.9Å; E536-F701 HydrophobicContact CB-CE2 3.86Å; E536-F701 HydrophobicContact CB-CZ 4.15Å; E536-F701 HydrophobicContact CG-CE2 3.72Å; E536-F701 HydrophobicContact CG-CZ 4.05Å; E536-P704 HydrophobicContact CG-CG 3.82Å; E536-F707 HydrophobicContact CB-CE2 3.84Å; E536-F707 HydrophobicContact CB-CZ 3.79Å; E536-F707 HydrophobicContact CG-CE2 3.86Å; E536-F707 HydrophobicContact CG-CZ 3.87Å
537	L	94.4	Very high	92.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.5	-48.8	173.6	169.2	67	0	0	0	111.9	L533 S534 R535 Y539 Q540 I541 L621 L693 A696 F697 L700 F701	L533-L537 WeakPolarHBondContact O-CB 3.02Å; L533-L537 PolarHBondContact O-N 3.02Å; S534-L537 PolarHBondContact O-N 2.94Å; R535-L537 PolarHBondContact O-N 3.03Å; L537-Y539 VanDerWaalsContact C-N 3.32Å; L537-Y539 PolarHBondContact O-N 3.17Å; L537-Q540 PolarHBondContact O-N 2.76Å; L537-I541 HydrophobicContact CD1-CD1 3.83Å; L537-I541 HydrophobicContact CD1-CG1 4.18Å; L537-I541 HydrophobicContact CG-CD1 3.9Å; L537-I541 WeakPolarHBondContact O-CG1 3.44Å; L537-I541 PolarHBondContact O-N 2.85Å; L537-L621 HydrophobicContact CD2-CD1 4.22Å; L537-L693 HydrophobicContact CD2-CD2 4.26Å; L537-A696 HydrophobicContact CD1-CB 4.45Å; L537-A696 HydrophobicContact CD2-CB 3.73Å; L537-F697 HydrophobicContact CB-CD1 4.21Å; L537-F697 HydrophobicContact CB-CE1 3.8Å; L537-F697 HydrophobicContact CD2-CD1 3.77Å; L537-F697 HydrophobicContact CD2-CE1 3.65Å; L537-F697 HydrophobicContact CG-CD1 4.43Å; L537-F697 HydrophobicContact CG-CE1 4.31Å; L537-L700 HydrophobicContact CD1-CB 4.01Å; L537-F701 HydrophobicContact CB-CD2 3.79Å; L537-F701 HydrophobicContact CB-CE2 4.09Å; L537-F701 HydrophobicContact CD1-CB 4.15Å; L537-F701 HydrophobicContact CD1-CD2 4.13Å
538	F	94.9	Very high	91.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-35.7	179.7	-70.6	-57.9	0	0	0	112	S534 R535 I541 L542 L620 L621 Y624 Y662 L693	S534-F538 WeakPolarHBondContact O-CD2 3.29Å; S534-F538 PolarHBondContact O-N 3.38Å; R535-F538 PolarHBondContact O-N 3.34Å; F538-I541 HydrophobicContact CD1-CD1 4.31Å; F538-I541 PolarHBondContact O-N 2.7Å; F538-L542 WeakPolarHBondContact O-CB 3.43Å; F538-L542 WeakPolarHBondContact O-CD1 3.29Å; F538-L542 VanDerWaalsContact O-CG 3.3Å; F538-L542 WeakPolarHBondContact O-CG 3.48Å; F538-L542 PolarHBondContact O-N 3Å; F538-L620 HydrophobicContact CB-CD1 4.16Å; F538-L620 HydrophobicContact CD1-CB 3.88Å; F538-L620 HydrophobicContact CD1-CD1 3.78Å; F538-L620 HydrophobicContact CE1-CB 4.14Å; F538-L620 HydrophobicContact CG-CD1 4.28Å; F538-L621 HydrophobicContact CE1-CB 4.46Å; F538-L621 HydrophobicContact CE1-CD1 3.58Å; F538-L621 HydrophobicContact CE1-CG 3.92Å; F538-L621 HydrophobicContact CZ-CD1 3.92Å; F538-Y624 HydrophobicContact CE1-CD1 4.07Å; F538-Y624 HydrophobicContact CE1-CE1 4.16Å; F538-Y624 AromaticContact CE2-CE1 3.82Å; F538-Y624 HydrophobicContact CE2-CE1 3.82Å; F538-Y624 AromaticContact CE2-CZ 3.9Å; F538-Y624 AromaticContact CZ-CD1 3.59Å; F538-Y624 HydrophobicContact CZ-CD1 3.59Å; F538-Y624 HydrophobicContact CZ-CD2 4.39Å; F538-Y624 AromaticContact CZ-CE1 3.32Å; F538-Y624 HydrophobicContact CZ-CE1 3.32Å; F538-Y624 HydrophobicContact CZ-CE2 4.17Å; F538-Y624 HydrophobicContact CZ-CG 4.12Å; F538-Y624 AromaticContact CZ-CZ 3.63Å; F538-Y662 HydrophobicContact CE1-CD1 4.42Å; F538-Y662 VanDerWaalsContact CE2-O 3.25Å; F538-Y662 WeakPolarHBondContact CE2-O 3.28Å; F538-L693 HydrophobicContact CE2-CD2 4Å; F538-L693 HydrophobicContact CZ-CD2 3.74Å
539	Y	95.6	Very high	91.6	Very high	25 Å²	25	17.5 Å²	17.5	10%	0.098	8%	0.082	C	C	.	.	H	α-helix	trans	-61.2	-44.3	172.3	174.6	-105.5	0	0	0	111.5	I491 R535 E536 L537 L542 I543 K656	I491-Y539 HydrophobicContact CD1-CD1 4.45Å; I491-Y539 HydrophobicContact CD1-CE1 3.89Å; I491-Y539 HydrophobicContact CG1-CE1 4.06Å; R535-Y539 PolarHBondContact O-N 2.92Å; E536-Y539 PolarHBondContact O-N 3.24Å; L537-Y539 VanDerWaalsContact C-N 3.32Å; L537-Y539 PolarHBondContact O-N 3.17Å; Y539-L542 PolarHBondContact O-N 2.78Å; Y539-I543 HydrophobicContact CE1-CG1 4.49Å; Y539-I543 HydrophobicContact CE2-CG1 4.13Å; Y539-I543 WeakPolarHBondContact O-CG1 3.17Å; Y539-I543 PolarHBondContact O-N 3.36Å; Y539-K656 HydrophobicContact CD2-CG 4.24Å; Y539-K656 HydrophobicContact CE2-CG 4.17Å
540	Q	93.6	Very high	91	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-65.8	-43.7	178.3	-68.4	178.8	13	0	0	111.6	I491 E536 L537 L542 I543 F544 S702	I491-Q540 HydrophobicContact CD1-CG 4.3Å; I491-Q540 HydrophobicContact CG2-CG 3.98Å; E536-Q540 VanDerWaalsContact O-CG 3.28Å; E536-Q540 WeakPolarHBondContact O-CG 3.44Å; E536-Q540 PolarHBondContact O-N 3.27Å; E536-Q540 PolarHBondContact OE1-NE2 2.9Å; L537-Q540 PolarHBondContact O-N 2.76Å; Q540-L542 VanDerWaalsContact C-N 3.33Å; Q540-L542 PolarHBondContact O-N 2.76Å; Q540-I543 PolarHBondContact O-N 3Å; Q540-I543 VanDerWaalsContact O-N 3.16Å; Q540-F544 HydrophobicContact CB-CD2 4.27Å; Q540-F544 HydrophobicContact CB-CE2 4.47Å; Q540-F544 WeakPolarHBondContact O-CB 3.37Å; Q540-F544 VanDerWaalsContact O-CD2 3.24Å; Q540-F544 WeakPolarHBondContact O-CD2 3.3Å; Q540-F544 PolarHBondContact O-N 2.77Å; Q540-S702 PolarHBondContact NE2-O 2.94Å; Q540-S702 PolarHBondContact OE1-O 3.38Å
541	I	92.1	Very high	90.6	Very high	6 Å²	6	20 Å²	20	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-57.3	-46.2	173.6	-68	166.5	0	0	0	111	A470 L537 F538 I543 F544 D545 F549 L620 L621 L700	A470-I541 HydrophobicContact CB-CD1 4.16Å; A470-I541 HydrophobicContact CB-CG1 4.13Å; A470-I541 HydrophobicContact CB-CG2 3.78Å; L537-I541 HydrophobicContact CD1-CD1 3.83Å; L537-I541 HydrophobicContact CD1-CG1 4.18Å; L537-I541 HydrophobicContact CG-CD1 3.9Å; L537-I541 WeakPolarHBondContact O-CG1 3.44Å; L537-I541 PolarHBondContact O-N 2.85Å; F538-I541 HydrophobicContact CD1-CD1 4.31Å; F538-I541 PolarHBondContact O-N 2.7Å; I541-I543 PolarHBondContact O-N 3.08Å; I541-F544 PolarHBondContact O-N 2.83Å; I541-D545 PolarHBondContact O-N 2.76Å; I541-F549 HydrophobicContact CG2-CE1 4.42Å; I541-L620 HydrophobicContact CG2-CB 4.24Å; I541-L620 HydrophobicContact CG2-CD2 4.32Å; I541-L621 HydrophobicContact CD1-CD1 4.36Å; I541-L621 HydrophobicContact CD1-CD2 3.76Å; I541-L621 HydrophobicContact CD1-CG 3.86Å; I541-L700 HydrophobicContact CD1-CD1 4.33Å
542	L	92.6	Very high	90.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-28.6	179.1	-78.4	158	0	0	0	113.5	F538 Y539 Q540 F546 F549 F604 L620 S655 C658	F538-L542 WeakPolarHBondContact O-CB 3.43Å; F538-L542 WeakPolarHBondContact O-CD1 3.29Å; F538-L542 VanDerWaalsContact O-CG 3.3Å; F538-L542 WeakPolarHBondContact O-CG 3.48Å; F538-L542 PolarHBondContact O-N 3Å; Y539-L542 PolarHBondContact O-N 2.78Å; Q540-L542 VanDerWaalsContact C-N 3.33Å; Q540-L542 PolarHBondContact O-N 2.76Å; L542-F546 WeakPolarHBondContact O-CA 3.35Å; L542-F546 WeakPolarHBondContact O-CB 3.36Å; L542-F546 PolarHBondContact O-N 2.94Å; L542-F549 HydrophobicContact CD2-CE1 4.31Å; L542-F549 HydrophobicContact CD2-CE2 4.19Å; L542-F549 HydrophobicContact CD2-CZ 3.85Å; L542-F604 HydrophobicContact CD2-CD1 4.39Å; L542-L620 HydrophobicContact CD1-CD1 3.99Å; L542-L620 HydrophobicContact CD2-CD1 4.27Å; L542-L620 HydrophobicContact CD2-CD2 3.68Å; L542-L620 HydrophobicContact CG-CD1 3.97Å; L542-L620 HydrophobicContact CG-CD2 3.95Å; L542-S655 WeakPolarHBondContact CD1-O 3.39Å; L542-C658 HydrophobicContact CD1-CB 3.76Å
543	I	93	Very high	89.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-91.8	-35.7	178.8	-63.5	-59.8	0	0	0	112.8	L487 R488 I491 Y539 Q540 I541	L487-I543 HydrophobicContact CB-CD1 4.36Å; L487-I543 HydrophobicContact CB-CG2 3.9Å; L487-I543 HydrophobicContact CD1-CD1 3.99Å; R488-I543 HydrophobicContact CG-CG2 3.7Å; R488-I543 VanDerWaalsContact CZ-O 3.27Å; R488-I543 PolarHBondContact NE-O 2.87Å; R488-I543 PolarHBondContact NH2-O 3.32Å; I491-I543 HydrophobicContact CD1-CB 3.98Å; I491-I543 HydrophobicContact CD1-CG1 4.29Å; I491-I543 HydrophobicContact CD1-CG2 3.78Å; Y539-I543 HydrophobicContact CE1-CG1 4.49Å; Y539-I543 HydrophobicContact CE2-CG1 4.13Å; Y539-I543 WeakPolarHBondContact O-CG1 3.17Å; Y539-I543 PolarHBondContact O-N 3.36Å; Q540-I543 PolarHBondContact O-N 3Å; Q540-I543 VanDerWaalsContact O-N 3.16Å; I541-I543 PolarHBondContact O-N 3.08Å
544	F	89.6	Confident	89.2	Confident	63 Å²	63	29.3 Å²	29.3	28%	0.276	14%	0.137	S	C	.	.	H	α-helix	trans	-81.4	-35.3	179.9	-77	-69.2	0	0	0	113.7	R488 I491 Q540 I541	R488-F544 HydrophobicContact CB-CE1 4Å; R488-F544 HydrophobicContact CB-CZ 4.45Å; R488-F544 HydrophobicContact CG-CD1 3.93Å; R488-F544 HydrophobicContact CG-CE1 3.82Å; R488-F544 HydrophobicContact CG-CZ 4.45Å; R488-F544 VanDerWaalsContact CZ-O 3.3Å; R488-F544 VanDerWaalsContact NH2-C 3.33Å; R488-F544 PolarHBondContact NH2-O 2.83Å; I491-F544 HydrophobicContact CD1-CE2 4.32Å; I491-F544 HydrophobicContact CG2-CE2 4.02Å; I491-F544 HydrophobicContact CG2-CZ 4.38Å; Q540-F544 HydrophobicContact CB-CD2 4.27Å; Q540-F544 HydrophobicContact CB-CE2 4.47Å; Q540-F544 WeakPolarHBondContact O-CB 3.37Å; Q540-F544 VanDerWaalsContact O-CD2 3.24Å; Q540-F544 WeakPolarHBondContact O-CD2 3.3Å; Q540-F544 PolarHBondContact O-N 2.77Å; I541-F544 PolarHBondContact O-N 2.83Å
545	D	88.1	Confident	88.4	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.059	18%	0.179	C	C	.	.	S	Bend	trans	-108.7	22.9	175.1	-70.9	-24.5	0	0	0	112.7	T469 A470 R476 I541 G547 N548 F549	T469-D545 VanDerWaalsContact CA-OD2 3.25Å; T469-D545 WeakPolarHBondContact CA-OD2 3.49Å; T469-D545 WeakPolarHBondContact CB-OD2 3.5Å; T469-D545 HydrophobicContact CG2-CB 4.5Å; A470-D545 PolarHBondContact N-OD2 3.24Å; R476-D545 IonicContact CZ-OD1 3.57Å; R476-D545 IonicContact NE-OD1 2.8Å; R476-D545 IonicContact NH2-OD1 3.51Å; R476-D545 PolarHBondContact NH2-OD1 2.92Å; I541-D545 PolarHBondContact O-N 2.76Å; D545-G547 PolarHBondContact O-N 3.33Å; D545-N548 WeakPolarHBondContact O-CA 3.35Å; D545-N548 VanDerWaalsContact O-CB 3.31Å; D545-N548 WeakPolarHBondContact O-CB 3.41Å; D545-N548 PolarHBondContact O-N 2.94Å; D545-F549 HydrophobicContact CB-CE1 4.07Å; D545-F549 WeakPolarHBondContact O-CE1 3.23Å; D545-F549 VanDerWaalsContact O-CZ 3.24Å; D545-F549 WeakPolarHBondContact O-CZ 3.5Å
546	F	89.2	Confident	87.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.4	129.7	170.5	-169.4	-97.8	0	0	0	112	I479 L481 I484 L542 N548 Y603 F604 F651	I479-F546 HydrophobicContact CD1-CD1 3.69Å; I479-F546 HydrophobicContact CD1-CE1 4.25Å; I479-F546 WeakPolarHBondContact CD1-O 3.38Å; I479-F546 HydrophobicContact CG2-CD1 4.27Å; L481-F546 HydrophobicContact CD1-CE1 4.26Å; I484-F546 HydrophobicContact CD1-CD1 3.86Å; I484-F546 HydrophobicContact CD1-CD2 3.65Å; I484-F546 HydrophobicContact CD1-CE1 3.9Å; I484-F546 HydrophobicContact CD1-CE2 3.67Å; I484-F546 HydrophobicContact CD1-CG 3.75Å; I484-F546 HydrophobicContact CD1-CZ 3.82Å; I484-F546 HydrophobicContact CG1-CD1 3.84Å; I484-F546 HydrophobicContact CG1-CE1 3.91Å; I484-F546 HydrophobicContact CG1-CG 4.17Å; I484-F546 HydrophobicContact CG1-CZ 4.29Å; I484-F546 HydrophobicContact CG2-CB 4.42Å; L542-F546 WeakPolarHBondContact O-CA 3.35Å; L542-F546 WeakPolarHBondContact O-CB 3.36Å; L542-F546 PolarHBondContact O-N 2.94Å; F546-N548 VanDerWaalsContact C-N 3.26Å; F546-N548 PolarHBondContact O-N 3.48Å; F546-N548 PolarHBondContact O-ND2 3.28Å; F546-Y603 AromaticContact CE1-CD1 3.62Å; F546-Y603 HydrophobicContact CE1-CD1 3.62Å; F546-Y603 HydrophobicContact CE1-CE1 4.32Å; F546-Y603 AromaticContact CE1-CG 3.99Å; F546-Y603 HydrophobicContact CE1-CG 3.99Å; F546-Y603 HydrophobicContact CZ-CD1 4.03Å; F546-Y603 AromaticContact CZ-CG 3.89Å; F546-Y603 HydrophobicContact CZ-CG 3.89Å; F546-F604 AromaticContact CD2-CE1 3.97Å; F546-F604 HydrophobicContact CD2-CE1 3.97Å; F546-F604 HydrophobicContact CD2-CZ 4.43Å; F546-F604 HydrophobicContact CE2-CD1 4.41Å; F546-F604 AromaticContact CE2-CE1 3.52Å; F546-F604 HydrophobicContact CE2-CE1 3.52Å; F546-F604 HydrophobicContact CE2-CE2 4.42Å; F546-F604 AromaticContact CE2-CZ 3.55Å; F546-F604 HydrophobicContact CE2-CZ 3.55Å; F546-F604 HydrophobicContact CZ-CZ 4.25Å; F546-F651 HydrophobicContact CE2-CB 4.18Å; F546-F651 AromaticContact CE2-CD1 3.97Å; F546-F651 HydrophobicContact CE2-CD1 3.97Å; F546-F651 HydrophobicContact CE2-CD2 4.41Å; F546-F651 HydrophobicContact CE2-CE1 4.46Å; F546-F651 AromaticContact CE2-CG 3.94Å; F546-F651 HydrophobicContact CE2-CG 3.94Å; F546-F651 AromaticContact CZ-CD1 3.7Å; F546-F651 HydrophobicContact CZ-CD1 3.7Å; F546-F651 AromaticContact CZ-CD2 4Å; F546-F651 HydrophobicContact CZ-CD2 4Å; F546-F651 AromaticContact CZ-CE1 3.75Å; F546-F651 HydrophobicContact CZ-CE1 3.75Å; F546-F651 HydrophobicContact CZ-CE2 4.03Å; F546-F651 AromaticContact CZ-CG 3.83Å; F546-F651 HydrophobicContact CZ-CG 3.83Å; F546-F651 AromaticContact CZ-CZ 3.91Å; F546-F651 HydrophobicContact CZ-CZ 3.91Å
547	G	84.6	Confident	87	Confident	11 Å²	11	36 Å²	36	11%	0.113	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	17.3	-177.5	0	0	0	0	0	116.1	D545 Y603	D545-G547 PolarHBondContact O-N 3.33Å; G547-Y603 VanDerWaalsContact CA-O 3.28Å; G547-Y603 WeakPolarHBondContact CA-O 3.1Å; G547-Y603 PolarHBondContact N-O 2.91Å
548	N	85.6	Confident	86.7	Confident	14 Å²	14	37 Å²	37	8%	0.075	21%	0.208	C	C	.	.			trans	-136.3	31.8	-175.4	-67.5	-86.1	0	0	0	113.4	T469 T473 R476 R477 D545 F546	T469-N548 HydrophobicContact CG2-CB 4.09Å; T473-N548 WeakPolarHBondContact CG2-O 3.39Å; R476-N548 VanDerWaalsContact CA-OD1 3.32Å; R476-N548 WeakPolarHBondContact CA-OD1 3.14Å; R477-N548 PolarHBondContact N-OD1 3.36Å; R477-N548 PolarHBondContact O-ND2 3.37Å; R477-N548 VanDerWaalsContact O-ND2 3.11Å; D545-N548 WeakPolarHBondContact O-CA 3.35Å; D545-N548 VanDerWaalsContact O-CB 3.31Å; D545-N548 WeakPolarHBondContact O-CB 3.41Å; D545-N548 PolarHBondContact O-N 2.94Å; F546-N548 VanDerWaalsContact C-N 3.26Å; F546-N548 PolarHBondContact O-N 3.48Å; F546-N548 PolarHBondContact O-ND2 3.28Å
549	F	86	Confident	86.6	Confident	18 Å²	18	39.2 Å²	39.2	8%	0.079	22%	0.222	C	C	.	.			trans	-89.6	157.3	-179.4	-45.8	-65.5	0	0	0	112.2	I541 L542 D545 Y603 F604 S605 P618 L620	I541-F549 HydrophobicContact CG2-CE1 4.42Å; L542-F549 HydrophobicContact CD2-CE1 4.31Å; L542-F549 HydrophobicContact CD2-CE2 4.19Å; L542-F549 HydrophobicContact CD2-CZ 3.85Å; D545-F549 HydrophobicContact CB-CE1 4.07Å; D545-F549 WeakPolarHBondContact O-CE1 3.23Å; D545-F549 VanDerWaalsContact O-CZ 3.24Å; D545-F549 WeakPolarHBondContact O-CZ 3.5Å; F549-Y603 WeakPolarHBondContact CE2-O 3.34Å; F549-F604 HydrophobicContact CE2-CD1 4.32Å; F549-S605 PolarHBondContact O-OG 2.88Å; F549-P618 HydrophobicContact CB-CB 4.23Å; F549-P618 HydrophobicContact CG-CB 4.34Å; F549-L620 HydrophobicContact CD1-CD2 3.58Å; F549-L620 HydrophobicContact CE1-CD2 3.76Å; F549-L620 HydrophobicContact CG-CD2 4.18Å; F549-L620 HydrophobicContact CZ-CD2 4.47Å
550	G	81.2	Confident	86.4	Confident	18 Å²	18	38 Å²	38	19%	0.186	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	178.9	162	0	0	0	0	0	111.5	L619	G550-L619 PolarHBondContact O-N 3.2Å
551	V	83.9	Confident	86.2	Confident	51 Å²	51	41.6 Å²	41.6	31%	0.309	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.1	175.5	-176	0	0	0	0	110.8	R553 L617	V551-R553 HydrophobicContact CB-CG 4.46Å; V551-R553 HydrophobicContact CG1-CG 3.78Å; V551-R553 PolarHBondContact O-N 2.97Å; V551-L617 CarbonylContact C-O 3.3Å
552	L	83.6	Confident	86.1	Confident	35 Å²	35	45.5 Å²	45.5	18%	0.183	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	98.2	159.5	-74	171	0	0	0	108.5	G616 L617 L619 Y662	L552-G616 WeakPolarHBondContact O-CA 3.37Å; L552-L617 HydrophobicContact CB-CB 4.28Å; L552-L617 WeakPolarHBondContact CB-O 3.49Å; L552-L617 PolarHBondContact N-O 3.21Å; L552-L617 PolarHBondContact O-N 2.9Å; L552-L619 HydrophobicContact CD1-CD1 4.29Å; L552-L619 HydrophobicContact CD2-CD1 3.74Å; L552-L619 HydrophobicContact CG-CB 4.2Å; L552-L619 HydrophobicContact CG-CD1 3.84Å; L552-Y662 HydrophobicContact CD1-CE1 4.47Å
553	R	83.6	Confident	86	Confident	165 Å²	165	46.3 Å²	46.3	62%	0.623	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.4	177.3	-64.5	-171.7	174.7	-68	-15.1	110.9	V551 E607 T615	V551-R553 HydrophobicContact CB-CG 4.46Å; V551-R553 HydrophobicContact CG1-CG 3.78Å; V551-R553 PolarHBondContact O-N 2.97Å; R553-E607 IonicContact CZ-OE1 2.68Å; R553-E607 IonicContact CZ-OE2 3.8Å; R553-E607 IonicContact NH1-OE1 2.76Å; R553-E607 PolarHBondContact NH1-OE1 3.36Å; R553-E607 IonicContact NH1-OE2 2.71Å; R553-E607 PolarHBondContact NH1-OE2 2.66Å; R553-E607 IonicContact NH2-OE1 3.48Å; R553-E607 PolarHBondContact NH2-OE1 2.83Å; R553-E607 IonicContact NH2-OE2 2.68Å; R553-T615 WeakPolarHBondContact CA-O 3.2Å
554	L	79.5	Confident	85.9	Confident	43 Å²	43	46.3 Å²	46.3	23%	0.225	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135.9	173.7	-60.3	179.1	0	0	0	109.9	T556 A558 L614 T615 M628	L554-T556 WeakPolarHBondContact CB-O 3.37Å; L554-T556 PolarHBondContact O-N 3.31Å; L554-A558 HydrophobicContact CD1-CB 4.02Å; L554-L614 HydrophobicContact CD1-CB 4.5Å; L554-L614 HydrophobicContact CD1-CD2 3.99Å; L554-L614 HydrophobicContact CD1-CG 4.16Å; L554-T615 PolarHBondContact N-O 2.91Å; L554-M628 HydrophobicContact CD2-CE 4.2Å
555	S	77.2	Confident	85.8	Confident	125 Å²	125	45 Å²	45	87%	0.874	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	-23.5	179.4	52.1	0	0	0	0	113.4
556	T	76.5	Confident	85.8	Confident	100 Å²	100	49.6 Å²	49.6	61%	0.613	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.2	169.1	48.9	0	0	0	0	108.1	L554 A558	L554-T556 WeakPolarHBondContact CB-O 3.37Å; L554-T556 PolarHBondContact O-N 3.31Å; T556-A558 PolarHBondContact O-N 3.48Å
557	P	82.8	Confident	85.8	Confident	70 Å²	70	49.7 Å²	49.7	46%	0.455	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	133.9	172.9	-22.9	33.6	0	0	0	110.4	N613 L614 T615	P557-N613 HydrophobicContact CB-CB 3.59Å; P557-L614 WeakPolarHBondContact CA-O 3.25Å; P557-T615 HydrophobicContact CB-CG2 4.23Å; P557-T615 HydrophobicContact CG-CG2 4.43Å
558	A	88.1	Confident	85.9	Confident	19 Å²	19	49.6 Å²	49.6	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.2	-176.4	0	0	0	0	0	110.3	L554 T556 L560 L563 N613 L614	L554-A558 HydrophobicContact CD1-CB 4.02Å; T556-A558 PolarHBondContact O-N 3.48Å; A558-L560 PolarHBondContact O-N 2.71Å; A558-L563 HydrophobicContact CB-CD1 3.92Å; A558-N613 CarbonylContact O-C 3.51Å; A558-N613 WeakPolarHBondContact O-CA 3.26Å; A558-L614 HydrophobicContact CB-CB 4.47Å; A558-L614 PolarHBondContact N-O 2.7Å; A558-L614 PolarHBondContact O-N 3.04Å
559	P	92	Very high	85.9	Confident	47 Å²	47	54.2 Å²	54.2	31%	0.305	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	124.2	-176.9	-23.8	34.4	0	0	0	111.9	Y561 D562 L563 N613	P559-Y561 PolarHBondContact O-N 2.91Å; P559-D562 HydrophobicContact CB-CB 4.29Å; P559-D562 PolarHBondContact O-N 2.87Å; P559-L563 WeakPolarHBondContact O-CG 3.33Å; P559-L563 PolarHBondContact O-N 2.68Å; P559-L563 VanDerWaalsContact O-N 3.1Å; P559-N613 WeakPolarHBondContact CA-OD1 3.49Å
560	L	90.9	Very high	85.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-26.9	-179.5	-69.2	172.9	0	0	0	112.1	A558 A564 V590 L593 I608 G612 L614 I635	A558-L560 PolarHBondContact O-N 2.71Å; L560-A564 VanDerWaalsContact O-CB 3.27Å; L560-A564 WeakPolarHBondContact O-CB 3.45Å; L560-A564 PolarHBondContact O-N 3.33Å; L560-V590 HydrophobicContact CB-CG2 3.81Å; L560-L593 HydrophobicContact CD1-CB 4.44Å; L560-I608 HydrophobicContact CD1-CD1 4.01Å; L560-I608 HydrophobicContact CD1-CG1 4.2Å; L560-I608 HydrophobicContact CD1-CG2 3.62Å; L560-G612 VanDerWaalsContact CB-O 3.25Å; L560-G612 WeakPolarHBondContact CB-O 3.34Å; L560-G612 VanDerWaalsContact CG-O 3.26Å; L560-G612 WeakPolarHBondContact CG-O 3.2Å; L560-G612 PolarHBondContact N-O 2.79Å; L560-L614 HydrophobicContact CD2-CB 4.09Å; L560-I635 HydrophobicContact CD2-CD1 3.77Å; L560-I635 HydrophobicContact CD2-CG1 4.04Å; L560-I635 HydrophobicContact CD2-CG2 3.82Å
561	Y	91	Very high	85.7	Confident	78 Å²	78	59.8 Å²	59.8	31%	0.306	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-50.5	175.2	-175.3	-92.4	0	0	0	111.6	P559 L563 A564 M565 E583 A586 Q587	P559-Y561 PolarHBondContact O-N 2.91Å; Y561-L563 PolarHBondContact O-N 3.28Å; Y561-A564 PolarHBondContact O-N 3.35Å; Y561-M565 HydrophobicContact CD1-CG 4.15Å; Y561-M565 HydrophobicContact CE1-CG 3.75Å; Y561-M565 WeakPolarHBondContact O-CG 3.41Å; Y561-M565 PolarHBondContact O-N 3.46Å; Y561-E583 WeakPolarHBondContact OH-CB 3.22Å; Y561-A586 HydrophobicContact CD2-CB 3.89Å; Y561-A586 HydrophobicContact CE2-CB 3.74Å; Y561-Q587 HydrophobicContact CE2-CB 4.45Å
562	D	89.9	Confident	85.3	Confident	87 Å²	87	61.8 Å²	61.8	47%	0.465	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-39.5	-179.5	-62.5	-24.6	0	0	0	110.9	P559 M565 L566	P559-D562 HydrophobicContact CB-CB 4.29Å; P559-D562 PolarHBondContact O-N 2.87Å; D562-M565 PolarHBondContact O-N 3.3Å; D562-L566 WeakPolarHBondContact O-CB 3.46Å; D562-L566 VanDerWaalsContact O-CG 3.25Å; D562-L566 WeakPolarHBondContact O-CG 3.49Å; D562-L566 PolarHBondContact O-N 3.06Å
563	L	89.8	Confident	85.2	Confident	18 Å²	18	61.7 Å²	61.7	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-42	172.7	-69.3	175	0	0	0	112.1	A558 P559 Y561 A567 L631 P632 I635	A558-L563 HydrophobicContact CB-CD1 3.92Å; P559-L563 WeakPolarHBondContact O-CG 3.33Å; P559-L563 PolarHBondContact O-N 2.68Å; P559-L563 VanDerWaalsContact O-N 3.1Å; Y561-L563 PolarHBondContact O-N 3.28Å; L563-A567 WeakPolarHBondContact O-CB 3.11Å; L563-A567 PolarHBondContact O-N 3.42Å; L563-L631 HydrophobicContact CD1-CD2 4.14Å; L563-L631 HydrophobicContact CD1-CG 4.17Å; L563-L631 HydrophobicContact CD2-CD2 4.3Å; L563-L631 HydrophobicContact CD2-CG 4.26Å; L563-P632 HydrophobicContact CD2-CG 3.98Å; L563-P632 WeakPolarHBondContact O-CB 3.38Å; L563-I635 HydrophobicContact CB-CG1 4.46Å; L563-I635 HydrophobicContact CD1-CG1 4.05Å
564	A	90.3	Very high	85	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-40.4	176.7	0	0	0	0	0	112.4	L560 Y561 A567 L568 A586 I589	L560-A564 VanDerWaalsContact O-CB 3.27Å; L560-A564 WeakPolarHBondContact O-CB 3.45Å; L560-A564 PolarHBondContact O-N 3.33Å; Y561-A564 PolarHBondContact O-N 3.35Å; A564-A567 WeakPolarHBondContact O-CB 3.38Å; A564-A567 PolarHBondContact O-N 3.01Å; A564-L568 VanDerWaalsContact O-CG 3.3Å; A564-L568 WeakPolarHBondContact O-CG 3.36Å; A564-L568 PolarHBondContact O-N 3.24Å; A564-A586 HydrophobicContact CB-CB 3.88Å; A564-I589 HydrophobicContact CB-CB 4.34Å; A564-I589 HydrophobicContact CB-CD1 3.99Å; A564-I589 HydrophobicContact CB-CG2 4.21Å
565	M	88.9	Confident	85.3	Confident	35 Å²	35	57.9 Å²	57.9	17%	0.172	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-47.5	174.5	-72.7	-62.9	-65.5	0	0	111.6	Y561 D562 A567 L568 D569 K582 E583 A586	Y561-M565 HydrophobicContact CD1-CG 4.15Å; Y561-M565 HydrophobicContact CE1-CG 3.75Å; Y561-M565 WeakPolarHBondContact O-CG 3.41Å; Y561-M565 PolarHBondContact O-N 3.46Å; D562-M565 PolarHBondContact O-N 3.3Å; M565-A567 PolarHBondContact O-N 3.18Å; M565-L568 PolarHBondContact O-N 3.45Å; M565-D569 PolarHBondContact O-N 3.47Å; M565-K582 HydrophobicContact CE-CB 4.04Å; M565-K582 HydrophobicContact SD-CB 3.98Å; M565-E583 HydrophobicContact CE-CG 4.23Å; M565-E583 HydrophobicContact SD-CG 4.47Å; M565-A586 HydrophobicContact CG-CB 3.83Å; M565-A586 HydrophobicContact SD-CB 3.67Å
566	L	88.2	Confident	85.4	Confident	108 Å²	108	55 Å²	55	57%	0.565	33%	0.33	S	S	*	.	H	α-helix	trans	-59.5	-33.7	175	-73.5	169.4	0	0	0	112.6	D562 S570 P632	D562-L566 WeakPolarHBondContact O-CB 3.46Å; D562-L566 VanDerWaalsContact O-CG 3.25Å; D562-L566 WeakPolarHBondContact O-CG 3.49Å; D562-L566 PolarHBondContact O-N 3.06Å; L566-S570 PolarHBondContact O-N 3.34Å; L566-P632 HydrophobicContact CB-CB 4.08Å; L566-P632 HydrophobicContact CB-CG 4.2Å
567	A	87.8	Confident	85.5	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-68.8	-48.3	174.1	0	0	0	0	0	111.8	L563 A564 M565 D569 S570 S573 P632 L636	L563-A567 WeakPolarHBondContact O-CB 3.11Å; L563-A567 PolarHBondContact O-N 3.42Å; A564-A567 WeakPolarHBondContact O-CB 3.38Å; A564-A567 PolarHBondContact O-N 3.01Å; M565-A567 PolarHBondContact O-N 3.18Å; A567-D569 PolarHBondContact O-N 2.87Å; A567-S570 VanDerWaalsContact O-CB 3.28Å; A567-S570 WeakPolarHBondContact O-CB 3.4Å; A567-S570 PolarHBondContact O-N 3.1Å; A567-S573 WeakPolarHBondContact O-CB 3.38Å; A567-P632 HydrophobicContact CB-CB 4.02Å; A567-P632 VanDerWaalsContact CB-O 3.3Å; A567-P632 WeakPolarHBondContact CB-O 3.43Å; A567-L636 HydrophobicContact CB-CB 3.68Å; A567-L636 HydrophobicContact CB-CD2 3.88Å; A567-L636 HydrophobicContact CB-CG 4.37Å
568	L	88.1	Confident	85.2	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.052	36%	0.361	C	S	.	.	H	α-helix	trans	-67.4	-21.2	179.5	-67.6	167.4	0	0	0	113.1	A564 M565 W575 K582 L585 A586 L636	A564-L568 VanDerWaalsContact O-CG 3.3Å; A564-L568 WeakPolarHBondContact O-CG 3.36Å; A564-L568 PolarHBondContact O-N 3.24Å; M565-L568 PolarHBondContact O-N 3.45Å; L568-W575 HydrophobicContact CD2-CB 4.09Å; L568-W575 HydrophobicContact CD2-CG 4.14Å; L568-K582 HydrophobicContact CB-CB 4.43Å; L568-K582 HydrophobicContact CB-CD 4Å; L568-K582 HydrophobicContact CB-CG 4.25Å; L568-K582 HydrophobicContact CD1-CB 4.15Å; L568-K582 PolarHBondContact O-NZ 3.45Å; L568-L585 HydrophobicContact CD1-CB 3.86Å; L568-L585 HydrophobicContact CD2-CD1 4.49Å; L568-A586 HydrophobicContact CD1-CB 4.45Å; L568-L636 HydrophobicContact CD2-CD1 4.06Å; L568-L636 HydrophobicContact CD2-CD2 4.32Å; L568-L636 HydrophobicContact CG-CD1 4.49Å
569	D	85.4	Confident	84.6	Confident	110 Å²	110	68 Å²	68	59%	0.588	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.9	169	-78.6	-20.9	0	0	0	113.9	M565 A567 K582	M565-D569 PolarHBondContact O-N 3.47Å; A567-D569 PolarHBondContact O-N 2.87Å; D569-K582 IonicContact OD1-NZ 2.67Å; D569-K582 PolarHBondContact OD1-NZ 3Å
570	S	84.4	Confident	84.2	Confident	49 Å²	49	66.9 Å²	66.9	34%	0.343	38%	0.375	S	S	.	.	S	Bend	trans	-79.6	135.7	171.7	-176.6	0	0	0	0	111.7	L566 A567 E572 S573	L566-S570 PolarHBondContact O-N 3.34Å; A567-S570 VanDerWaalsContact O-CB 3.28Å; A567-S570 WeakPolarHBondContact O-CB 3.4Å; A567-S570 PolarHBondContact O-N 3.1Å; S570-E572 PolarHBondContact O-N 2.88Å; S570-E572 VanDerWaalsContact O-N 3.15Å; S570-E572 PolarHBondContact OG-N 2.68Å; S570-S573 WeakPolarHBondContact O-CB 3.4Å; S570-S573 PolarHBondContact O-N 3.05Å; S570-S573 VanDerWaalsContact O-N 3.08Å; S570-S573 PolarHBondContact O-OG 3.15Å
571	A	78.3	Confident	84.1	Confident	105 Å²	105	71.3 Å²	71.3	87%	0.868	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-63.8	-14.4	172.3	0	0	0	0	0	113.6	S573	A571-S573 VanDerWaalsContact C-N 3.28Å
572	E	76.1	Confident	84	Confident	93 Å²	93	69.3 Å²	69.3	44%	0.435	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-77.3	-8.6	173.2	-67.2	-169.6	-161.7	0	0	113.7	S570 L633 Q667	S570-E572 PolarHBondContact O-N 2.88Å; S570-E572 VanDerWaalsContact O-N 3.15Å; S570-E572 PolarHBondContact OG-N 2.68Å; E572-L633 HydrophobicContact CB-CD1 4.32Å; E572-L633 HydrophobicContact CB-CD2 4Å; E572-L633 WeakPolarHBondContact OE2-CD2 3.44Å; E572-Q667 PolarHBondContact OE1-NE2 3.25Å; E572-Q667 PolarHBondContact OE2-NE2 2.85Å
573	S	80.9	Confident	84	Confident	33 Å²	33	70.2 Å²	70.2	23%	0.231	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-72.7	-26.7	175.9	61.3	0	0	0	0	114.1	A567 S570 A571 W575	A567-S573 WeakPolarHBondContact O-CB 3.38Å; S570-S573 WeakPolarHBondContact O-CB 3.4Å; S570-S573 PolarHBondContact O-N 3.05Å; S570-S573 VanDerWaalsContact O-N 3.08Å; S570-S573 PolarHBondContact O-OG 3.15Å; A571-S573 VanDerWaalsContact C-N 3.28Å; S573-W575 PolarHBondContact O-N 3.49Å; S573-W575 PolarHBondContact OG-N 3.49Å
574	G	78.8	Confident	83.9	Confident	59 Å²	59	71.3 Å²	71.3	61%	0.608	41%	0.413	S	S	*	.			trans	72.6	2.1	-170.7	0	0	0	0	0	115.3
575	W	85.4	Confident	83.8	Confident	68 Å²	68	73.8 Å²	73.8	26%	0.258	43%	0.426	S	S	.	.			trans	-61.3	141	-179.3	175.4	89.5	0	0	0	112.6	L568 S573 E577 G580 K582	L568-W575 HydrophobicContact CD2-CB 4.09Å; L568-W575 HydrophobicContact CD2-CG 4.14Å; S573-W575 PolarHBondContact O-N 3.49Å; S573-W575 PolarHBondContact OG-N 3.49Å; W575-E577 HydrophobicContact CH2-CG 4.07Å; W575-E577 HydrophobicContact CZ3-CG 4.43Å; W575-G580 WeakPolarHBondContact CZ2-O 3.34Å; W575-G580 PolarHBondContact NE1-O 3.47Å; W575-K582 HydrophobicContact CD2-CG 4.24Å; W575-K582 HydrophobicContact CH2-CD 4.5Å; W575-K582 HydrophobicContact CH2-CG 4.2Å; W575-K582 HydrophobicContact CZ2-CD 4.44Å; W575-K582 HydrophobicContact CZ2-CG 3.7Å
576	T	79.7	Confident	83.8	Confident	65 Å²	65	72.1 Å²	72.1	40%	0.399	42%	0.418	S	S	.	.			trans	-128.3	164	176.7	72.4	0	0	0	0	111.4	E578 D579	T576-E578 PolarHBondContact O-N 2.98Å; T576-E578 VanDerWaalsContact O-N 3.09Å; T576-E578 PolarHBondContact OG1-N 3.27Å; T576-D579 WeakPolarHBondContact CA-OD2 3.33Å; T576-D579 WeakPolarHBondContact CB-OD2 3.25Å; T576-D579 PolarHBondContact N-OD2 2.98Å; T576-D579 PolarHBondContact O-N 3.49Å; T576-D579 PolarHBondContact OG1-OD2 2.96Å
577	E	77.9	Confident	84	Confident	180 Å²	180	71.1 Å²	71.1	84%	0.841	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.8	174.5	-62.7	-176	172.7	0	0	113.4	W575	W575-E577 HydrophobicContact CH2-CG 4.07Å; W575-E577 HydrophobicContact CZ3-CG 4.43Å
578	E	76.9	Confident	84.2	Confident	190 Å²	190	77.7 Å²	77.7	89%	0.888	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-23	175.3	-58	-169.7	177.7	0	0	112.7	T576 G580	T576-E578 PolarHBondContact O-N 2.98Å; T576-E578 VanDerWaalsContact O-N 3.09Å; T576-E578 PolarHBondContact OG1-N 3.27Å; E578-G580 VanDerWaalsContact C-N 3.27Å; E578-G580 PolarHBondContact O-N 3.01Å
579	D	76.9	Confident	84.4	Confident	91 Å²	91	77.5 Å²	77.5	49%	0.487	44%	0.435	S	S	.	.	S	Bend	trans	-78.2	-9.2	-179	-59.6	-68.3	0	0	0	113.5	T576 L585	T576-D579 WeakPolarHBondContact CA-OD2 3.33Å; T576-D579 WeakPolarHBondContact CB-OD2 3.25Å; T576-D579 PolarHBondContact N-OD2 2.98Å; T576-D579 PolarHBondContact O-N 3.49Å; T576-D579 PolarHBondContact OG1-OD2 2.96Å; D579-L585 HydrophobicContact CB-CD1 4.5Å
580	G	83.3	Confident	84.8	Confident	25 Å²	25	72.7 Å²	72.7	26%	0.258	41%	0.41	S	S	.	.			trans	93.9	178.7	177.6	0	0	0	0	0	115	W575 E578 K582	W575-G580 WeakPolarHBondContact CZ2-O 3.34Å; W575-G580 PolarHBondContact NE1-O 3.47Å; E578-G580 VanDerWaalsContact C-N 3.27Å; E578-G580 PolarHBondContact O-N 3.01Å; G580-K582 PolarHBondContact O-N 3.13Å
581	P	88.8	Confident	85.2	Confident	92 Å²	92	73.9 Å²	73.9	60%	0.597	41%	0.412	S	S	*	.			trans	-66.5	131.6	-168.9	26.7	-34.9	0	0	0	112.6	E583 G584 L585	P581-E583 VanDerWaalsContact C-N 3.26Å; P581-E583 PolarHBondContact O-N 2.89Å; P581-G584 PolarHBondContact O-N 3.3Å; P581-L585 PolarHBondContact O-N 3.4Å; P581-L585 VanDerWaalsContact O-N 3.15Å
582	K	88.2	Confident	85.9	Confident	36 Å²	36	70.6 Å²	70.6	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-57.9	-38.4	-175.2	-62.1	-169.7	-176.6	-162.3	0	112.6	M565 L568 D569 W575 G580 G584 L585 A586	M565-K582 HydrophobicContact CE-CB 4.04Å; M565-K582 HydrophobicContact SD-CB 3.98Å; L568-K582 HydrophobicContact CB-CB 4.43Å; L568-K582 HydrophobicContact CB-CD 4Å; L568-K582 HydrophobicContact CB-CG 4.25Å; L568-K582 HydrophobicContact CD1-CB 4.15Å; L568-K582 PolarHBondContact O-NZ 3.45Å; D569-K582 IonicContact OD1-NZ 2.67Å; D569-K582 PolarHBondContact OD1-NZ 3Å; W575-K582 HydrophobicContact CD2-CG 4.24Å; W575-K582 HydrophobicContact CH2-CD 4.5Å; W575-K582 HydrophobicContact CH2-CG 4.2Å; W575-K582 HydrophobicContact CZ2-CD 4.44Å; W575-K582 HydrophobicContact CZ2-CG 3.7Å; G580-K582 PolarHBondContact O-N 3.13Å; K582-G584 VanDerWaalsContact C-N 3.28Å; K582-G584 PolarHBondContact O-N 3.39Å; K582-L585 PolarHBondContact O-N 2.9Å; K582-A586 WeakPolarHBondContact O-CB 3.08Å; K582-A586 PolarHBondContact O-N 3.36Å
583	E	89.4	Confident	86.7	Confident	107 Å²	107	66.2 Å²	66.2	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-35.2	-179.4	-55	81.2	178.9	0	0	111.6	Y561 M565 P581 Q587	Y561-E583 WeakPolarHBondContact OH-CB 3.22Å; M565-E583 HydrophobicContact CE-CG 4.23Å; M565-E583 HydrophobicContact SD-CG 4.47Å; P581-E583 VanDerWaalsContact C-N 3.26Å; P581-E583 PolarHBondContact O-N 2.89Å; E583-Q587 PolarHBondContact O-N 3.36Å; E583-Q587 VanDerWaalsContact O-N 3.1Å
584	G	87.6	Confident	87.3	Confident	41 Å²	41	67.9 Å²	67.9	42%	0.423	36%	0.361	S	S	.	.	H	α-helix	trans	-73.6	-39.8	175.6	0	0	0	0	0	112.4	P581 K582 Y588	P581-G584 PolarHBondContact O-N 3.3Å; K582-G584 VanDerWaalsContact C-N 3.28Å; K582-G584 PolarHBondContact O-N 3.39Å; G584-Y588 WeakPolarHBondContact O-CB 3.23Å; G584-Y588 PolarHBondContact O-N 3.06Å
585	L	88.3	Confident	88	Confident	52 Å²	52	72.6 Å²	72.6	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-44.5	174.3	-68.7	168.2	0	0	0	111.5	L568 D579 P581 K582 Y588 I589	L568-L585 HydrophobicContact CD1-CB 3.86Å; L568-L585 HydrophobicContact CD2-CD1 4.49Å; D579-L585 HydrophobicContact CB-CD1 4.5Å; P581-L585 PolarHBondContact O-N 3.4Å; P581-L585 VanDerWaalsContact O-N 3.15Å; K582-L585 PolarHBondContact O-N 2.9Å; L585-Y588 WeakPolarHBondContact O-CB 3.44Å; L585-Y588 PolarHBondContact O-N 2.94Å; L585-I589 WeakPolarHBondContact O-CD1 3.43Å; L585-I589 VanDerWaalsContact O-CG1 3.26Å; L585-I589 WeakPolarHBondContact O-CG1 3.44Å; L585-I589 PolarHBondContact O-N 2.67Å
586	A	90.3	Very high	88.4	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59.4	-47.5	175.3	0	0	0	0	0	111.7	Y561 A564 M565 L568 K582 Y588 I589 V590	Y561-A586 HydrophobicContact CD2-CB 3.89Å; Y561-A586 HydrophobicContact CE2-CB 3.74Å; A564-A586 HydrophobicContact CB-CB 3.88Å; M565-A586 HydrophobicContact CG-CB 3.83Å; M565-A586 HydrophobicContact SD-CB 3.67Å; L568-A586 HydrophobicContact CD1-CB 4.45Å; K582-A586 WeakPolarHBondContact O-CB 3.08Å; K582-A586 PolarHBondContact O-N 3.36Å; A586-Y588 VanDerWaalsContact C-N 3.34Å; A586-Y588 PolarHBondContact O-N 3.4Å; A586-I589 PolarHBondContact O-N 3.24Å; A586-V590 WeakPolarHBondContact O-CG2 3.32Å; A586-V590 PolarHBondContact O-N 3.48Å; A586-V590 VanDerWaalsContact O-N 3.09Å
587	Q	92.5	Very high	89	Confident	87 Å²	87	69.7 Å²	69.7	41%	0.407	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-39.9	175.5	-171.7	62	50.3	0	0	112.3	Y561 E583 I589 V590 D591	Y561-Q587 HydrophobicContact CE2-CB 4.45Å; E583-Q587 PolarHBondContact O-N 3.36Å; E583-Q587 VanDerWaalsContact O-N 3.1Å; Q587-I589 VanDerWaalsContact C-N 3.34Å; Q587-I589 PolarHBondContact O-N 3.43Å; Q587-V590 PolarHBondContact O-N 3.47Å; Q587-D591 PolarHBondContact NE2-OD1 3.28Å; Q587-D591 WeakPolarHBondContact O-CB 3.49Å; Q587-D591 PolarHBondContact O-N 2.81Å
588	Y	91.8	Very high	89.6	Confident	138 Å²	138	69.2 Å²	69.2	54%	0.541	35%	0.349	S	S	.	.	H	α-helix	trans	-60	-43.1	174.9	173.7	-93.4	0	0	0	111.9	G584 L585 A586 D591 F592	G584-Y588 WeakPolarHBondContact O-CB 3.23Å; G584-Y588 PolarHBondContact O-N 3.06Å; L585-Y588 WeakPolarHBondContact O-CB 3.44Å; L585-Y588 PolarHBondContact O-N 2.94Å; A586-Y588 VanDerWaalsContact C-N 3.34Å; A586-Y588 PolarHBondContact O-N 3.4Å; Y588-D591 PolarHBondContact O-N 3.49Å; Y588-F592 HydrophobicContact CE1-CB 4.38Å; Y588-F592 WeakPolarHBondContact O-CB 3.43Å; Y588-F592 PolarHBondContact O-N 3.15Å
589	I	91.8	Very high	90.4	Very high	7 Å²	7	62.5 Å²	62.5	4%	0.036	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-45.7	177.4	-68.7	159.4	0	0	0	110.8	A564 L585 A586 Q587 F592 L593 I635 L636 A639	A564-I589 HydrophobicContact CB-CB 4.34Å; A564-I589 HydrophobicContact CB-CD1 3.99Å; A564-I589 HydrophobicContact CB-CG2 4.21Å; L585-I589 WeakPolarHBondContact O-CD1 3.43Å; L585-I589 VanDerWaalsContact O-CG1 3.26Å; L585-I589 WeakPolarHBondContact O-CG1 3.44Å; L585-I589 PolarHBondContact O-N 2.67Å; A586-I589 PolarHBondContact O-N 3.24Å; Q587-I589 VanDerWaalsContact C-N 3.34Å; Q587-I589 PolarHBondContact O-N 3.43Å; I589-F592 PolarHBondContact O-N 3.47Å; I589-L593 HydrophobicContact CG2-CD1 3.87Å; I589-L593 HydrophobicContact CG2-CG 4.45Å; I589-L593 WeakPolarHBondContact O-CB 3.33Å; I589-L593 WeakPolarHBondContact O-CG 3.41Å; I589-L593 PolarHBondContact O-N 3.09Å; I589-I635 HydrophobicContact CG2-CG2 4.19Å; I589-L636 HydrophobicContact CD1-CD1 3.51Å; I589-A639 HydrophobicContact CB-CB 4.36Å; I589-A639 HydrophobicContact CG1-CB 3.85Å; I589-A639 HydrophobicContact CG2-CB 4.06Å
590	V	93.1	Very high	91.1	Very high	9 Å²	9	58.2 Å²	58.2	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-52.4	175.3	179.3	0	0	0	0	111.2	L560 A586 Q587 F592 L593 K594	L560-V590 HydrophobicContact CB-CG2 3.81Å; A586-V590 WeakPolarHBondContact O-CG2 3.32Å; A586-V590 PolarHBondContact O-N 3.48Å; A586-V590 VanDerWaalsContact O-N 3.09Å; Q587-V590 PolarHBondContact O-N 3.47Å; V590-F592 PolarHBondContact O-N 2.81Å; V590-L593 PolarHBondContact O-N 3.19Å; V590-K594 HydrophobicContact CG1-CD 3.67Å; V590-K594 HydrophobicContact CG1-CG 4.37Å; V590-K594 WeakPolarHBondContact O-CB 3.47Å; V590-K594 VanDerWaalsContact O-CG 3.25Å; V590-K594 WeakPolarHBondContact O-CG 3.26Å; V590-K594 PolarHBondContact O-N 3.35Å
591	D	92.9	Very high	91.4	Very high	73 Å²	73	62.5 Å²	62.5	39%	0.39	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-22.6	-179	-74.5	0.8	0	0	0	112.8	Q587 Y588 K595	Q587-D591 PolarHBondContact NE2-OD1 3.28Å; Q587-D591 WeakPolarHBondContact O-CB 3.49Å; Q587-D591 PolarHBondContact O-N 2.81Å; Y588-D591 PolarHBondContact O-N 3.49Å; D591-K595 VanDerWaalsContact O-CD 3.27Å; D591-K595 WeakPolarHBondContact O-CD 3.29Å; D591-K595 VanDerWaalsContact O-CE 3.24Å; D591-K595 WeakPolarHBondContact O-CE 3.45Å; D591-K595 VanDerWaalsContact O-CG 3.26Å; D591-K595 WeakPolarHBondContact O-CG 3.33Å; D591-K595 PolarHBondContact O-NZ 2.92Å
592	F	93.3	Very high	91.4	Very high	37 Å²	37	61.5 Å²	61.5	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-82.3	-52.1	176.6	-177.8	-90.2	0	0	0	111.2	Y588 I589 V590 K594 K595 K596 A639 W644	Y588-F592 HydrophobicContact CE1-CB 4.38Å; Y588-F592 WeakPolarHBondContact O-CB 3.43Å; Y588-F592 PolarHBondContact O-N 3.15Å; I589-F592 PolarHBondContact O-N 3.47Å; V590-F592 PolarHBondContact O-N 2.81Å; F592-K594 VanDerWaalsContact C-N 3.33Å; F592-K594 PolarHBondContact O-N 3.01Å; F592-K595 WeakPolarHBondContact O-CB 3.49Å; F592-K595 PolarHBondContact O-N 3.08Å; F592-K596 HydrophobicContact CE1-CG 4.36Å; F592-A639 HydrophobicContact CD1-CB 4.43Å; F592-W644 AromaticContact CE1-CD1 3.65Å; F592-W644 HydrophobicContact CE1-CD2 4.13Å; F592-W644 AromaticContact CE1-CE2 3.75Å; F592-W644 HydrophobicContact CE1-CG 4.07Å; F592-W644 HydrophobicContact CE1-CZ2 4.33Å; F592-W644 AromaticContact CE1-NE1 3.46Å; F592-W644 HydrophobicContact CZ-CB 4.28Å; F592-W644 AromaticContact CZ-CD1 3.48Å; F592-W644 VanDerWaalsContact CZ-CD1 3.48Å; F592-W644 HydrophobicContact CZ-CD2 4.24Å; F592-W644 AromaticContact CZ-CG 3.76Å; F592-W644 HydrophobicContact CZ-CG 3.76Å; F592-W644 AromaticContact CZ-NE1 3.82Å
593	L	92.8	Very high	91.5	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-36.6	-179.5	-67.7	175	0	0	0	112	L560 I589 V590 K595 K596 A597 I608 I635 L638 W644	L560-L593 HydrophobicContact CD1-CB 4.44Å; I589-L593 HydrophobicContact CG2-CD1 3.87Å; I589-L593 HydrophobicContact CG2-CG 4.45Å; I589-L593 WeakPolarHBondContact O-CB 3.33Å; I589-L593 WeakPolarHBondContact O-CG 3.41Å; I589-L593 PolarHBondContact O-N 3.09Å; V590-L593 PolarHBondContact O-N 3.19Å; L593-K595 PolarHBondContact O-N 3.49Å; L593-K596 CarbonylContact O-C 3.59Å; L593-K596 WeakPolarHBondContact O-CA 3.35Å; L593-K596 PolarHBondContact O-N 3.24Å; L593-A597 PolarHBondContact O-N 3.34Å; L593-A597 VanDerWaalsContact O-N 3.08Å; L593-I608 HydrophobicContact CB-CD1 4.05Å; L593-I635 HydrophobicContact CD1-CG2 3.89Å; L593-L638 HydrophobicContact CD2-CB 3.98Å; L593-W644 HydrophobicContact CD2-CZ2 4.34Å
594	K	93.7	Very high	91.5	Very high	68 Å²	68	57.4 Å²	57.4	30%	0.296	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.4	174.1	-69	176.5	83.1	178.2	0	113.4	V590 F592 K596 I608 Q610 E611	V590-K594 HydrophobicContact CG1-CD 3.67Å; V590-K594 HydrophobicContact CG1-CG 4.37Å; V590-K594 WeakPolarHBondContact O-CB 3.47Å; V590-K594 VanDerWaalsContact O-CG 3.25Å; V590-K594 WeakPolarHBondContact O-CG 3.26Å; V590-K594 PolarHBondContact O-N 3.35Å; F592-K594 VanDerWaalsContact C-N 3.33Å; F592-K594 PolarHBondContact O-N 3.01Å; K594-K596 PolarHBondContact O-N 3.41Å; K594-I608 HydrophobicContact CG-CG2 4.03Å; K594-Q610 WeakPolarHBondContact CE-O 3.11Å; K594-Q610 PolarHBondContact NZ-O 2.71Å; K594-E611 PolarHBondContact NZ-O 2.85Å
595	K	93.9	Very high	91.6	Very high	158 Å²	158	56.3 Å²	56.3	69%	0.687	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.8	172.1	-66	168.8	-170.4	118.3	0	113.5	D591 F592 L593	D591-K595 VanDerWaalsContact O-CD 3.27Å; D591-K595 WeakPolarHBondContact O-CD 3.29Å; D591-K595 VanDerWaalsContact O-CE 3.24Å; D591-K595 WeakPolarHBondContact O-CE 3.45Å; D591-K595 VanDerWaalsContact O-CG 3.26Å; D591-K595 WeakPolarHBondContact O-CG 3.33Å; D591-K595 PolarHBondContact O-NZ 2.92Å; F592-K595 WeakPolarHBondContact O-CB 3.49Å; F592-K595 PolarHBondContact O-N 3.08Å; L593-K595 PolarHBondContact O-N 3.49Å
596	K	92.9	Very high	91.8	Very high	54 Å²	54	53.9 Å²	53.9	24%	0.235	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-1.8	178.2	-58.9	-66.5	-171.1	171.3	0	112.7	F592 L593 K594 E598 M599 L600 W644	F592-K596 HydrophobicContact CE1-CG 4.36Å; L593-K596 CarbonylContact O-C 3.59Å; L593-K596 WeakPolarHBondContact O-CA 3.35Å; L593-K596 PolarHBondContact O-N 3.24Å; K594-K596 PolarHBondContact O-N 3.41Å; K596-E598 PolarHBondContact O-N 3.01Å; K596-M599 WeakPolarHBondContact O-CB 3.32Å; K596-M599 PolarHBondContact O-N 2.88Å; K596-M599 VanDerWaalsContact O-N 3.07Å; K596-L600 HydrophobicContact CB-CD1 4.3Å; K596-L600 PolarHBondContact O-N 3.07Å; K596-W644 HydrophobicContact CB-CE3 4.4Å; K596-W644 HydrophobicContact CB-CH2 4.1Å; K596-W644 HydrophobicContact CB-CZ3 3.8Å; K596-W644 HydrophobicContact CD-CD2 4.33Å; K596-W644 HydrophobicContact CD-CE3 3.64Å; K596-W644 HydrophobicContact CD-CZ3 3.92Å; K596-W644 HydrophobicContact CG-CD2 4.35Å; K596-W644 HydrophobicContact CG-CE3 3.84Å; K596-W644 HydrophobicContact CG-CH2 4.2Å; K596-W644 HydrophobicContact CG-CZ3 3.75Å
597	A	92.2	Very high	91.8	Very high	17 Å²	17	55.1 Å²	55.1	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-54.6	-49.3	-172.5	0	0	0	0	0	113.8	L593 M599 L600 E601 I608	L593-A597 PolarHBondContact O-N 3.34Å; L593-A597 VanDerWaalsContact O-N 3.08Å; A597-M599 PolarHBondContact O-N 2.82Å; A597-L600 PolarHBondContact O-N 2.78Å; A597-L600 VanDerWaalsContact O-N 3.12Å; A597-E601 PolarHBondContact O-N 2.81Å; A597-I608 HydrophobicContact CB-CB 4.19Å
598	E	91.9	Very high	91.7	Very high	171 Å²	171	52.1 Å²	52.1	80%	0.799	24%	0.243	S	C	*	.	H	α-helix	trans	-56.9	-34.2	178.5	-61.2	-179.5	163.1	0	0	112.9	K596 D602	K596-E598 PolarHBondContact O-N 3.01Å; E598-D602 WeakPolarHBondContact O-CB 3.29Å; E598-D602 PolarHBondContact O-N 2.83Å; E598-D602 VanDerWaalsContact O-N 3.14Å
599	M	92.3	Very high	91.6	Very high	49 Å²	49	47.6 Å²	47.6	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-79.8	-36	179.7	-172.6	-85.7	-102.2	0	0	111.9	K596 A597 E601 Y603 F604 W644	K596-M599 WeakPolarHBondContact O-CB 3.32Å; K596-M599 PolarHBondContact O-N 2.88Å; K596-M599 VanDerWaalsContact O-N 3.07Å; A597-M599 PolarHBondContact O-N 2.82Å; M599-E601 VanDerWaalsContact C-N 3.33Å; M599-Y603 HydrophobicContact CG-CD2 3.69Å; M599-Y603 HydrophobicContact CG-CE2 3.86Å; M599-Y603 PolarHBondContact O-N 3.13Å; M599-Y603 HydrophobicContact SD-CD2 3.83Å; M599-Y603 HydrophobicContact SD-CE2 4.46Å; M599-F604 HydrophobicContact SD-CE2 4.3Å; M599-W644 HydrophobicContact CE-CE3 3.75Å; M599-W644 HydrophobicContact CE-CZ3 3.52Å
600	L	92.1	Very high	91.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-34.5	173	-74.2	173.2	0	0	0	112.2	K596 A597 F604 S605 L606 I608 W644 F654	K596-L600 HydrophobicContact CB-CD1 4.3Å; K596-L600 PolarHBondContact O-N 3.07Å; A597-L600 PolarHBondContact O-N 2.78Å; A597-L600 VanDerWaalsContact O-N 3.12Å; L600-F604 HydrophobicContact CD2-CD2 4.13Å; L600-F604 CarbonylContact O-C 3.46Å; L600-F604 VanDerWaalsContact O-C 3.3Å; L600-F604 WeakPolarHBondContact O-CA 3.27Å; L600-F604 WeakPolarHBondContact O-CB 3.38Å; L600-F604 PolarHBondContact O-N 3.37Å; L600-F604 VanDerWaalsContact O-N 3.13Å; L600-S605 PolarHBondContact O-N 3.49Å; L600-L606 CarbonylContact C-O 3.49Å; L600-L606 HydrophobicContact CB-CB 4.32Å; L600-L606 HydrophobicContact CB-CD2 4.44Å; L600-L606 HydrophobicContact CD1-CD2 4.31Å; L600-L606 PolarHBondContact O-N 2.96Å; L600-L606 VanDerWaalsContact O-N 3.12Å; L600-I608 HydrophobicContact CD1-CD1 4Å; L600-W644 HydrophobicContact CD1-CH2 4.33Å; L600-W644 HydrophobicContact CD2-CH2 4Å; L600-W644 HydrophobicContact CG-CH2 4.3Å; L600-F654 HydrophobicContact CD2-CD2 3.91Å; L600-F654 HydrophobicContact CD2-CE2 3.3Å; L600-F654 HydrophobicContact CD2-CZ 3.93Å
601	E	90.7	Very high	90.9	Very high	116 Å²	116	63.7 Å²	63.7	54%	0.542	30%	0.303	S	S	.	.	H	α-helix	trans	-70.1	-53.7	174.1	-168	176.6	-179.8	0	0	111.3	A597 M599 Y603 S605 L606	A597-E601 PolarHBondContact O-N 2.81Å; M599-E601 VanDerWaalsContact C-N 3.33Å; E601-Y603 PolarHBondContact O-N 3.49Å; E601-S605 WeakPolarHBondContact O-CA 3.19Å; E601-S605 PolarHBondContact O-N 3.47Å; E601-S605 VanDerWaalsContact O-N 3.13Å; E601-L606 PolarHBondContact N-O 2.99Å
602	D	88.3	Confident	90.6	Very high	70 Å²	70	60.4 Å²	60.4	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-33.5	-173.4	-169.4	53.8	0	0	0	114.6	R477 E598	R477-D602 IonicContact CZ-OD1 3.74Å; R477-D602 IonicContact CZ-OD2 3.6Å; R477-D602 PolarHBondContact NH1-O 2.93Å; R477-D602 IonicContact NH1-OD1 2.73Å; R477-D602 PolarHBondContact NH1-OD1 3.33Å; R477-D602 IonicContact NH1-OD2 3.5Å; R477-D602 PolarHBondContact NH1-OD2 2.92Å; R477-D602 IonicContact NH2-OD1 2.67Å; R477-D602 PolarHBondContact NH2-OD1 3.14Å; R477-D602 IonicContact NH2-OD2 2.72Å; R477-D602 PolarHBondContact NH2-OD2 3.13Å; E598-D602 WeakPolarHBondContact O-CB 3.29Å; E598-D602 PolarHBondContact O-N 2.83Å; E598-D602 VanDerWaalsContact O-N 3.14Å
603	Y	89.6	Confident	90.4	Very high	58 Å²	58	59.9 Å²	59.9	23%	0.227	29%	0.285	C	S	.	.	H	α-helix	trans	-105.6	-28.2	-177.2	-62.6	-51.8	0	0	0	115.1	F546 G547 F549 M599 E601 F651	F546-Y603 AromaticContact CE1-CD1 3.62Å; F546-Y603 HydrophobicContact CE1-CD1 3.62Å; F546-Y603 HydrophobicContact CE1-CE1 4.32Å; F546-Y603 AromaticContact CE1-CG 3.99Å; F546-Y603 HydrophobicContact CE1-CG 3.99Å; F546-Y603 HydrophobicContact CZ-CD1 4.03Å; F546-Y603 AromaticContact CZ-CG 3.89Å; F546-Y603 HydrophobicContact CZ-CG 3.89Å; G547-Y603 VanDerWaalsContact CA-O 3.28Å; G547-Y603 WeakPolarHBondContact CA-O 3.1Å; G547-Y603 PolarHBondContact N-O 2.91Å; F549-Y603 WeakPolarHBondContact CE2-O 3.34Å; M599-Y603 HydrophobicContact CG-CD2 3.69Å; M599-Y603 HydrophobicContact CG-CE2 3.86Å; M599-Y603 PolarHBondContact O-N 3.13Å; M599-Y603 HydrophobicContact SD-CD2 3.83Å; M599-Y603 HydrophobicContact SD-CE2 4.46Å; E601-Y603 PolarHBondContact O-N 3.49Å; Y603-F651 HydrophobicContact CD2-CE1 4.24Å; Y603-F651 HydrophobicContact CE2-CE1 4.5Å; Y603-F651 HydrophobicContact CE2-CZ 4.46Å
604	F	90.1	Very high	90.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-126.1	0.9	-171.5	-58.7	-71.2	0	0	0	114.2	L542 F546 F549 M599 L600 L606 P618 F651 F654	L542-F604 HydrophobicContact CD2-CD1 4.39Å; F546-F604 AromaticContact CD2-CE1 3.97Å; F546-F604 HydrophobicContact CD2-CE1 3.97Å; F546-F604 HydrophobicContact CD2-CZ 4.43Å; F546-F604 HydrophobicContact CE2-CD1 4.41Å; F546-F604 AromaticContact CE2-CE1 3.52Å; F546-F604 HydrophobicContact CE2-CE1 3.52Å; F546-F604 HydrophobicContact CE2-CE2 4.42Å; F546-F604 AromaticContact CE2-CZ 3.55Å; F546-F604 HydrophobicContact CE2-CZ 3.55Å; F546-F604 HydrophobicContact CZ-CZ 4.25Å; F549-F604 HydrophobicContact CE2-CD1 4.32Å; M599-F604 HydrophobicContact SD-CE2 4.3Å; L600-F604 HydrophobicContact CD2-CD2 4.13Å; L600-F604 CarbonylContact O-C 3.46Å; L600-F604 VanDerWaalsContact O-C 3.3Å; L600-F604 WeakPolarHBondContact O-CA 3.27Å; L600-F604 WeakPolarHBondContact O-CB 3.38Å; L600-F604 PolarHBondContact O-N 3.37Å; L600-F604 VanDerWaalsContact O-N 3.13Å; F604-L606 PolarHBondContact O-N 2.84Å; F604-L606 VanDerWaalsContact O-N 3.1Å; F604-P618 WeakPolarHBondContact O-CB 3.37Å; F604-F651 HydrophobicContact CE2-CD1 4.4Å; F604-F651 HydrophobicContact CZ-CD1 4.1Å; F604-F654 HydrophobicContact CB-CE1 3.73Å; F604-F654 HydrophobicContact CB-CZ 3.88Å; F604-F654 AromaticContact CD1-CD1 3.46Å; F604-F654 HydrophobicContact CD1-CD1 3.46Å; F604-F654 VanDerWaalsContact CD1-CD1 3.46Å; F604-F654 AromaticContact CD1-CE1 3.31Å; F604-F654 HydrophobicContact CD1-CE1 3.31Å; F604-F654 HydrophobicContact CD1-CZ 4.25Å; F604-F654 AromaticContact CD2-CD1 3.9Å; F604-F654 HydrophobicContact CD2-CD1 3.9Å; F604-F654 HydrophobicContact CD2-CD2 4.47Å; F604-F654 AromaticContact CD2-CE1 3.81Å; F604-F654 HydrophobicContact CD2-CE1 3.81Å; F604-F654 HydrophobicContact CD2-CE2 4.4Å; F604-F654 HydrophobicContact CD2-CG 4.25Å; F604-F654 HydrophobicContact CD2-CZ 4.07Å; F604-F654 AromaticContact CE1-CD1 3.32Å; F604-F654 HydrophobicContact CE1-CD1 3.32Å; F604-F654 AromaticContact CE1-CE1 3.73Å; F604-F654 HydrophobicContact CE1-CE1 3.73Å; F604-F654 HydrophobicContact CE1-CG 4.18Å; F604-F654 HydrophobicContact CE2-CB 4.39Å; F604-F654 AromaticContact CE2-CD1 3.77Å; F604-F654 HydrophobicContact CE2-CD1 3.77Å; F604-F654 HydrophobicContact CE2-CD2 4.4Å; F604-F654 HydrophobicContact CE2-CE1 4.18Å; F604-F654 AromaticContact CE2-CG 3.91Å; F604-F654 HydrophobicContact CE2-CG 3.91Å; F604-F654 AromaticContact CG-CD1 3.73Å; F604-F654 HydrophobicContact CG-CD1 3.73Å; F604-F654 AromaticContact CG-CE1 3.33Å; F604-F654 HydrophobicContact CG-CE1 3.33Å; F604-F654 AromaticContact CG-CZ 3.82Å; F604-F654 HydrophobicContact CG-CZ 3.82Å; F604-F654 HydrophobicContact CZ-CB 4.09Å; F604-F654 AromaticContact CZ-CD1 3.46Å; F604-F654 HydrophobicContact CZ-CD1 3.46Å; F604-F654 VanDerWaalsContact CZ-CD1 3.46Å; F604-F654 HydrophobicContact CZ-CE1 4.13Å; F604-F654 AromaticContact CZ-CG 3.85Å; F604-F654 HydrophobicContact CZ-CG 3.85Å
605	S	89.7	Confident	90	Very high	18 Å²	18	58.1 Å²	58.1	13%	0.126	28%	0.28	C	S	.	.			trans	54.2	31.4	178.3	-47.7	0	0	0	0	113.2	F549 L600 E601	F549-S605 PolarHBondContact O-OG 2.88Å; L600-S605 PolarHBondContact O-N 3.49Å; E601-S605 WeakPolarHBondContact O-CA 3.19Å; E601-S605 PolarHBondContact O-N 3.47Å; E601-S605 VanDerWaalsContact O-N 3.13Å
606	L	91.3	Very high	89.6	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.247	C	C	.	.			trans	-102	112.4	177.2	-172.9	167.8	0	0	0	108	L600 E601 F604 I608 L614 G616 L617 F634 L638 F654	L600-L606 CarbonylContact C-O 3.49Å; L600-L606 HydrophobicContact CB-CB 4.32Å; L600-L606 HydrophobicContact CB-CD2 4.44Å; L600-L606 HydrophobicContact CD1-CD2 4.31Å; L600-L606 PolarHBondContact O-N 2.96Å; L600-L606 VanDerWaalsContact O-N 3.12Å; E601-L606 PolarHBondContact N-O 2.99Å; F604-L606 PolarHBondContact O-N 2.84Å; F604-L606 VanDerWaalsContact O-N 3.1Å; L606-I608 HydrophobicContact CD2-CD1 3.99Å; L606-I608 HydrophobicContact CD2-CG1 3.78Å; L606-L614 HydrophobicContact CD2-CD1 3.5Å; L606-L614 VanDerWaalsContact CD2-CD1 3.5Å; L606-L614 HydrophobicContact CG-CD1 4.07Å; L606-G616 WeakPolarHBondContact CA-O 3.35Å; L606-L617 HydrophobicContact CD1-CD2 4.42Å; L606-L617 HydrophobicContact CG-CD2 4.4Å; L606-F634 HydrophobicContact CD1-CE1 4.26Å; L606-F634 HydrophobicContact CD1-CZ 4.41Å; L606-L638 HydrophobicContact CD1-CD1 4.12Å; L606-F654 HydrophobicContact CD1-CE2 4.26Å; L606-F654 HydrophobicContact CD1-CZ 3.99Å
607	E	90.4	Very high	89.4	Confident	26 Å²	26	48 Å²	48	12%	0.121	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130	-172.1	-59.1	176.7	174.6	0	0	111.6	R553 T615 G616	R553-E607 IonicContact CZ-OE1 2.68Å; R553-E607 IonicContact CZ-OE2 3.8Å; R553-E607 IonicContact NH1-OE1 2.76Å; R553-E607 PolarHBondContact NH1-OE1 3.36Å; R553-E607 IonicContact NH1-OE2 2.71Å; R553-E607 PolarHBondContact NH1-OE2 2.66Å; R553-E607 IonicContact NH2-OE1 3.48Å; R553-E607 PolarHBondContact NH2-OE1 2.83Å; R553-E607 IonicContact NH2-OE2 2.68Å; E607-T615 WeakPolarHBondContact CB-OG1 3.38Å; E607-T615 PolarHBondContact O-N 3.42Å; E607-T615 PolarHBondContact O-OG1 3.46Å; E607-T615 PolarHBondContact OE2-OG1 2.81Å; E607-G616 PolarHBondContact N-O 3.38Å; E607-G616 PolarHBondContact O-N 3.24Å
608	I	91.9	Very high	89.3	Confident	24 Å²	24	47.2 Å²	47.2	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.9	173.9	-58.6	169.4	0	0	0	107.9	L560 L593 K594 A597 L600 L606 N613 L614	L560-I608 HydrophobicContact CD1-CD1 4.01Å; L560-I608 HydrophobicContact CD1-CG1 4.2Å; L560-I608 HydrophobicContact CD1-CG2 3.62Å; L593-I608 HydrophobicContact CB-CD1 4.05Å; K594-I608 HydrophobicContact CG-CG2 4.03Å; A597-I608 HydrophobicContact CB-CB 4.19Å; L600-I608 HydrophobicContact CD1-CD1 4Å; L606-I608 HydrophobicContact CD2-CD1 3.99Å; L606-I608 HydrophobicContact CD2-CG1 3.78Å; I608-N613 WeakPolarHBondContact CA-O 3.4Å; I608-L614 HydrophobicContact CG1-CD1 4.31Å
609	D	88.4	Confident	89.1	Confident	43 Å²	43	40.8 Å²	40.8	23%	0.23	20%	0.2	C	C	.	.			trans	-80.7	173.7	-178	74.5	22.4	0	0	0	114.1	E611 G612 N613 T615	D609-E611 PolarHBondContact O-N 3.17Å; D609-E611 WeakPolarHBondContact OD1-CA 3.18Å; D609-E611 WeakPolarHBondContact OD1-CB 3.35Å; D609-E611 PolarHBondContact OD1-N 3.28Å; D609-G612 PolarHBondContact O-N 3.31Å; D609-G612 PolarHBondContact OD1-N 2.73Å; D609-N613 PolarHBondContact N-O 2.97Å; D609-N613 PolarHBondContact OD1-N 2.69Å; D609-N613 PolarHBondContact OD1-ND2 3.47Å; D609-N613 WeakPolarHBondContact OD2-CB 3.49Å; D609-N613 PolarHBondContact OD2-ND2 3.43Å; D609-T615 HydrophobicContact CB-CG2 4.21Å
610	Q	86.4	Confident	88.9	Confident	191 Å²	191	38.6 Å²	38.6	89%	0.893	19%	0.189	S	C	*	.	S	Bend	trans	-67.9	-20.3	-179.1	-62.7	-175.5	10.9	0	0	113.2	K594	K594-Q610 WeakPolarHBondContact CE-O 3.11Å; K594-Q610 PolarHBondContact NZ-O 2.71Å
611	E	84.8	Confident	88.6	Confident	163 Å²	163	39 Å²	39	76%	0.762	19%	0.192	S	C	*	.	S	Bend	trans	-83.5	-36	178.9	-60.6	-171.5	170.7	0	0	110.6	K594 D609	K594-E611 PolarHBondContact NZ-O 2.85Å; D609-E611 PolarHBondContact O-N 3.17Å; D609-E611 WeakPolarHBondContact OD1-CA 3.18Å; D609-E611 WeakPolarHBondContact OD1-CB 3.35Å; D609-E611 PolarHBondContact OD1-N 3.28Å
612	G	86.8	Confident	88.1	Confident	4 Å²	4	37.5 Å²	37.5	4%	0.041	19%	0.188	C	C	.	.	S	Bend	trans	121.3	24.6	178.6	0	0	0	0	0	113.7	L560 D609	L560-G612 VanDerWaalsContact CB-O 3.25Å; L560-G612 WeakPolarHBondContact CB-O 3.34Å; L560-G612 VanDerWaalsContact CG-O 3.26Å; L560-G612 WeakPolarHBondContact CG-O 3.2Å; L560-G612 PolarHBondContact N-O 2.79Å; D609-G612 PolarHBondContact O-N 3.31Å; D609-G612 PolarHBondContact OD1-N 2.73Å
613	N	88.9	Confident	87.5	Confident	26 Å²	26	42.3 Å²	42.3	14%	0.139	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	144.7	175.2	-40.8	-67	0	0	0	110.4	P557 A558 P559 I608 D609	P557-N613 HydrophobicContact CB-CB 3.59Å; A558-N613 CarbonylContact O-C 3.51Å; A558-N613 WeakPolarHBondContact O-CA 3.26Å; P559-N613 WeakPolarHBondContact CA-OD1 3.49Å; I608-N613 WeakPolarHBondContact CA-O 3.4Å; D609-N613 PolarHBondContact N-O 2.97Å; D609-N613 PolarHBondContact OD1-N 2.69Å; D609-N613 PolarHBondContact OD1-ND2 3.47Å; D609-N613 WeakPolarHBondContact OD2-CB 3.49Å; D609-N613 PolarHBondContact OD2-ND2 3.43Å
614	L	90.4	Very high	87.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.8	167.5	-175.8	75.2	0	0	0	109.1	L554 P557 A558 L560 L606 I608 L617 L631 I635	L554-L614 HydrophobicContact CD1-CB 4.5Å; L554-L614 HydrophobicContact CD1-CD2 3.99Å; L554-L614 HydrophobicContact CD1-CG 4.16Å; P557-L614 WeakPolarHBondContact CA-O 3.25Å; A558-L614 HydrophobicContact CB-CB 4.47Å; A558-L614 PolarHBondContact N-O 2.7Å; A558-L614 PolarHBondContact O-N 3.04Å; L560-L614 HydrophobicContact CD2-CB 4.09Å; L606-L614 HydrophobicContact CD2-CD1 3.5Å; L606-L614 VanDerWaalsContact CD2-CD1 3.5Å; L606-L614 HydrophobicContact CG-CD1 4.07Å; I608-L614 HydrophobicContact CG1-CD1 4.31Å; L614-L617 HydrophobicContact CD1-CD2 4.45Å; L614-L617 HydrophobicContact CD2-CD1 4.36Å; L614-L617 HydrophobicContact CD2-CD2 4.06Å; L614-L617 HydrophobicContact CD2-CG 4.12Å; L614-L631 HydrophobicContact CD2-CD1 3.86Å; L614-L631 HydrophobicContact CD2-CD2 4.08Å; L614-L631 HydrophobicContact CD2-CG 4.46Å; L614-I635 HydrophobicContact CD2-CD1 4.43Å
615	T	86.9	Confident	86.9	Confident	32 Å²	32	43.7 Å²	43.7	20%	0.196	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-24.2	178.8	57.6	0	0	0	0	113.5	R553 L554 P557 E607 D609	R553-T615 WeakPolarHBondContact CA-O 3.2Å; L554-T615 PolarHBondContact N-O 2.91Å; P557-T615 HydrophobicContact CB-CG2 4.23Å; P557-T615 HydrophobicContact CG-CG2 4.43Å; E607-T615 WeakPolarHBondContact CB-OG1 3.38Å; E607-T615 PolarHBondContact O-N 3.42Å; E607-T615 PolarHBondContact O-OG1 3.46Å; E607-T615 PolarHBondContact OE2-OG1 2.81Å; D609-T615 HydrophobicContact CB-CG2 4.21Å
616	G	84.9	Confident	86.7	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.1	-174	0	0	0	0	0	113.3	L552 L606 E607	L552-G616 WeakPolarHBondContact O-CA 3.37Å; L606-G616 WeakPolarHBondContact CA-O 3.35Å; E607-G616 PolarHBondContact N-O 3.38Å; E607-G616 PolarHBondContact O-N 3.24Å
617	L	90.3	Very high	86.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.9	176.1	-76.2	167.8	0	0	0	110.3	V551 L552 L606 L614 L619 M628 L631 F634 F661	V551-L617 CarbonylContact C-O 3.3Å; L552-L617 HydrophobicContact CB-CB 4.28Å; L552-L617 WeakPolarHBondContact CB-O 3.49Å; L552-L617 PolarHBondContact N-O 3.21Å; L552-L617 PolarHBondContact O-N 2.9Å; L606-L617 HydrophobicContact CD1-CD2 4.42Å; L606-L617 HydrophobicContact CG-CD2 4.4Å; L614-L617 HydrophobicContact CD1-CD2 4.45Å; L614-L617 HydrophobicContact CD2-CD1 4.36Å; L614-L617 HydrophobicContact CD2-CD2 4.06Å; L614-L617 HydrophobicContact CD2-CG 4.12Å; L617-L619 PolarHBondContact O-N 3.23Å; L617-M628 HydrophobicContact CD1-CE 4.3Å; L617-M628 HydrophobicContact CD1-SD 4.3Å; L617-L631 HydrophobicContact CD1-CD1 4.25Å; L617-L631 HydrophobicContact CD2-CD1 4.47Å; L617-F634 HydrophobicContact CD2-CE1 4.16Å; L617-F661 HydrophobicContact CD1-CE1 4.19Å; L617-F661 HydrophobicContact CD1-CZ 4.47Å; L617-F661 HydrophobicContact CD2-CE1 4.41Å
618	P	89.4	Confident	86.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.7	178.5	16.1	-26.8	0	0	0	113.6	F549 F604 L620 Y662	F549-P618 HydrophobicContact CB-CB 4.23Å; F549-P618 HydrophobicContact CG-CB 4.34Å; F604-P618 WeakPolarHBondContact O-CB 3.37Å; P618-L620 HydrophobicContact CB-CD2 3.86Å; P618-L620 HydrophobicContact CB-CG 4.29Å; P618-L620 PolarHBondContact O-N 2.93Å; P618-Y662 HydrophobicContact CG-CE2 4.48Å; P618-Y662 VanDerWaalsContact O-CE1 3.32Å; P618-Y662 WeakPolarHBondContact O-CE1 3.38Å; P618-Y662 VanDerWaalsContact O-CZ 3.27Å; P618-Y662 PolarHBondContact O-OH 2.83Å
619	L	87.6	Confident	85.8	Confident	36 Å²	36	51.3 Å²	51.3	19%	0.188	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	102.9	164.8	-177.1	67.4	0	0	0	108.7	A471 G550 L552 L617 L621	A471-L619 HydrophobicContact CB-CB 4.38Å; A471-L619 HydrophobicContact CB-CD2 4Å; A471-L619 HydrophobicContact CB-CG 3.83Å; A471-L619 WeakPolarHBondContact CB-O 3.23Å; G550-L619 PolarHBondContact O-N 3.2Å; L552-L619 HydrophobicContact CD1-CD1 4.29Å; L552-L619 HydrophobicContact CD2-CD1 3.74Å; L552-L619 HydrophobicContact CG-CB 4.2Å; L552-L619 HydrophobicContact CG-CD1 3.84Å; L617-L619 PolarHBondContact O-N 3.23Å; L619-L621 WeakPolarHBondContact CD1-O 3.38Å
620	L	88.2	Confident	85.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.247	C	C	.	.			trans	-91.7	-24.7	-178.2	-59	-175.1	0	0	0	114.1	A470 F538 I541 L542 F549 P618 Y662	A470-L620 VanDerWaalsContact CB-O 3.31Å; A470-L620 WeakPolarHBondContact CB-O 3.41Å; F538-L620 HydrophobicContact CB-CD1 4.16Å; F538-L620 HydrophobicContact CD1-CB 3.88Å; F538-L620 HydrophobicContact CD1-CD1 3.78Å; F538-L620 HydrophobicContact CE1-CB 4.14Å; F538-L620 HydrophobicContact CG-CD1 4.28Å; I541-L620 HydrophobicContact CG2-CB 4.24Å; I541-L620 HydrophobicContact CG2-CD2 4.32Å; L542-L620 HydrophobicContact CD1-CD1 3.99Å; L542-L620 HydrophobicContact CD2-CD1 4.27Å; L542-L620 HydrophobicContact CD2-CD2 3.68Å; L542-L620 HydrophobicContact CG-CD1 3.97Å; L542-L620 HydrophobicContact CG-CD2 3.95Å; F549-L620 HydrophobicContact CD1-CD2 3.58Å; F549-L620 HydrophobicContact CE1-CD2 3.76Å; F549-L620 HydrophobicContact CG-CD2 4.18Å; F549-L620 HydrophobicContact CZ-CD2 4.47Å; P618-L620 HydrophobicContact CB-CD2 3.86Å; P618-L620 HydrophobicContact CB-CG 4.29Å; P618-L620 PolarHBondContact O-N 2.93Å; L620-Y662 HydrophobicContact CB-CD1 4.32Å; L620-Y662 HydrophobicContact CB-CE1 4.36Å; L620-Y662 HydrophobicContact CD1-CD1 3.68Å; L620-Y662 HydrophobicContact CD1-CD2 4.37Å; L620-Y662 HydrophobicContact CD1-CE1 3.96Å; L620-Y662 HydrophobicContact CD1-CG 3.9Å; L620-Y662 HydrophobicContact CG-CD1 4.05Å; L620-Y662 HydrophobicContact CG-CE1 3.91Å
621	L	85.8	Confident	85.8	Confident	9 Å²	9	41 Å²	41	5%	0.047	21%	0.207	C	C	.	.	S	Bend	trans	-145.8	137.5	177.6	-79.3	177.3	0	0	0	110.4	A470 L537 F538 I541 L619 K623 Y624 V692 L693 A696 L700	A470-L621 HydrophobicContact CB-CD2 4.21Å; L537-L621 HydrophobicContact CD2-CD1 4.22Å; F538-L621 HydrophobicContact CE1-CB 4.46Å; F538-L621 HydrophobicContact CE1-CD1 3.58Å; F538-L621 HydrophobicContact CE1-CG 3.92Å; F538-L621 HydrophobicContact CZ-CD1 3.92Å; I541-L621 HydrophobicContact CD1-CD1 4.36Å; I541-L621 HydrophobicContact CD1-CD2 3.76Å; I541-L621 HydrophobicContact CD1-CG 3.86Å; L619-L621 WeakPolarHBondContact CD1-O 3.38Å; L621-K623 PolarHBondContact O-N 2.57Å; L621-Y624 PolarHBondContact O-N 2.69Å; L621-Y624 VanDerWaalsContact O-N 3.14Å; L621-V692 HydrophobicContact CB-CG1 4.39Å; L621-V692 HydrophobicContact CD1-CG1 4.28Å; L621-L693 HydrophobicContact CD1-CD2 4.09Å; L621-A696 HydrophobicContact CD1-CB 4.07Å; L621-A696 HydrophobicContact CD2-CB 3.97Å; L621-L700 HydrophobicContact CD2-CD1 3.9Å
622	D	79.4	Confident	86.1	Confident	85 Å²	85	34.4 Å²	34.4	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	127	171.4	-80.8	-12.4	0	0	0	111.9	A470 A471 Y624	A470-D622 PolarHBondContact O-N 3.41Å; A471-D622 WeakPolarHBondContact CA-OD1 3.38Å; D622-Y624 PolarHBondContact O-N 3.11Å
623	K	77.4	Confident	86.3	Confident	170 Å²	170	34.9 Å²	34.9	74%	0.739	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	23.1	178.3	-49.1	-177.1	-178.5	-172.5	0	114.3	L621	L621-K623 PolarHBondContact O-N 2.57Å
624	Y	83.4	Confident	86.4	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.027	17%	0.174	C	C	.	.			trans	-105	135.9	167.7	-167.3	-98.3	0	0	0	111.2	F538 L621 D622 Y662 I664 V692 L693	F538-Y624 HydrophobicContact CE1-CD1 4.07Å; F538-Y624 HydrophobicContact CE1-CE1 4.16Å; F538-Y624 AromaticContact CE2-CE1 3.82Å; F538-Y624 HydrophobicContact CE2-CE1 3.82Å; F538-Y624 AromaticContact CE2-CZ 3.9Å; F538-Y624 AromaticContact CZ-CD1 3.59Å; F538-Y624 HydrophobicContact CZ-CD1 3.59Å; F538-Y624 HydrophobicContact CZ-CD2 4.39Å; F538-Y624 AromaticContact CZ-CE1 3.32Å; F538-Y624 HydrophobicContact CZ-CE1 3.32Å; F538-Y624 HydrophobicContact CZ-CE2 4.17Å; F538-Y624 HydrophobicContact CZ-CG 4.12Å; F538-Y624 AromaticContact CZ-CZ 3.63Å; L621-Y624 PolarHBondContact O-N 2.69Å; L621-Y624 VanDerWaalsContact O-N 3.14Å; D622-Y624 PolarHBondContact O-N 3.11Å; Y624-Y662 HydrophobicContact CD1-CD1 4.34Å; Y624-Y662 HydrophobicContact CE1-CD1 4.29Å; Y624-Y662 WeakPolarHBondContact CE1-O 3.38Å; Y624-Y662 PolarHBondContact OH-O 2.85Å; Y624-I664 HydrophobicContact CE2-CD1 4.49Å; Y624-I664 VanDerWaalsContact OH-CG1 3.29Å; Y624-I664 WeakPolarHBondContact OH-CG1 3.42Å; Y624-V692 HydrophobicContact CD2-CG1 4.32Å; Y624-L693 HydrophobicContact CD2-CD2 4.34Å; Y624-L693 HydrophobicContact CE2-CD1 4.34Å; Y624-L693 HydrophobicContact CE2-CD2 4Å; Y624-L693 HydrophobicContact CE2-CG 4.17Å
625	T	82.9	Confident	86.6	Confident	81 Å²	81	34 Å²	34	50%	0.497	18%	0.175	S	C	.	.			trans	-127.1	128.7	172	-52.4	0	0	0	0	108.1	M628	T625-M628 HydrophobicContact CG2-CE 3.89Å
626	P	85.4	Confident	86.8	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.026	17%	0.168	C	C	.	.			trans	-68.3	159.5	175.7	32	-37.3	0	0	0	111	M628 F661 Y662	P626-M628 HydrophobicContact CG-CE 4.18Å; P626-M628 PolarHBondContact O-N 3.05Å; P626-F661 HydrophobicContact CB-CE1 4.18Å; P626-F661 HydrophobicContact CB-CE2 4.29Å; P626-F661 HydrophobicContact CB-CZ 3.98Å; P626-F661 HydrophobicContact CG-CE1 3.98Å; P626-F661 HydrophobicContact CG-CZ 3.9Å; P626-Y662 HydrophobicContact CB-CD1 4.07Å; P626-Y662 HydrophobicContact CB-CD2 4.12Å; P626-Y662 HydrophobicContact CB-CE1 4.28Å; P626-Y662 HydrophobicContact CB-CE2 4.31Å; P626-Y662 HydrophobicContact CB-CG 3.99Å; P626-Y662 HydrophobicContact CG-CD1 4.21Å; P626-Y662 HydrophobicContact CG-CD2 4.38Å; P626-Y662 HydrophobicContact CG-CE1 3.9Å; P626-Y662 HydrophobicContact CG-CE2 4.08Å; P626-Y662 HydrophobicContact CG-CG 4.44Å
627	I	85.6	Confident	87.2	Confident	49 Å²	49	36.3 Å²	36.3	25%	0.251	18%	0.181	S	C	.	.			trans	-80	109.4	-179.4	-51.3	169.3	0	0	0	109.3	E629 G630 F668 V669	I627-E629 HydrophobicContact CG2-CB 4.28Å; I627-E629 HydrophobicContact CG2-CG 4.26Å; I627-E629 PolarHBondContact O-N 3.14Å; I627-E629 VanDerWaalsContact O-N 3.09Å; I627-G630 PolarHBondContact O-N 3.16Å; I627-F668 HydrophobicContact CB-CB 4.25Å; I627-F668 HydrophobicContact CD1-CB 4.12Å; I627-F668 HydrophobicContact CG2-CB 3.72Å; I627-F668 WeakPolarHBondContact CG2-O 3.42Å; I627-V669 HydrophobicContact CD1-CG2 3.52Å
628	M	84.6	Confident	87.3	Confident	73 Å²	73	36.4 Å²	36.4	36%	0.36	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-64.5	-16.5	-170.4	-62.1	-61.2	178.4	0	0	114.5	L554 L617 T625 P626 G630 L631 F661	L554-M628 HydrophobicContact CD2-CE 4.2Å; L617-M628 HydrophobicContact CD1-CE 4.3Å; L617-M628 HydrophobicContact CD1-SD 4.3Å; T625-M628 HydrophobicContact CG2-CE 3.89Å; P626-M628 HydrophobicContact CG-CE 4.18Å; P626-M628 PolarHBondContact O-N 3.05Å; M628-G630 PolarHBondContact O-N 2.75Å; M628-L631 WeakPolarHBondContact O-CB 3.34Å; M628-L631 PolarHBondContact O-N 2.94Å; M628-F661 HydrophobicContact SD-CZ 4.32Å
629	E	84.6	Confident	87.3	Confident	102 Å²	102	37.3 Å²	37.3	48%	0.477	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-57.3	-27.9	170.2	-60	-174.5	162.2	0	0	112.9	I627 L631 P632 F668	I627-E629 HydrophobicContact CG2-CB 4.28Å; I627-E629 HydrophobicContact CG2-CG 4.26Å; I627-E629 PolarHBondContact O-N 3.14Å; I627-E629 VanDerWaalsContact O-N 3.09Å; E629-L631 VanDerWaalsContact C-N 3.34Å; E629-P632 WeakPolarHBondContact O-CD 3.17Å; E629-F668 HydrophobicContact CB-CB 4.26Å; E629-F668 HydrophobicContact CB-CD1 3.67Å; E629-F668 HydrophobicContact CB-CE1 4.24Å; E629-F668 HydrophobicContact CB-CG 4.11Å; E629-F668 VanDerWaalsContact OE2-CA 3.28Å; E629-F668 WeakPolarHBondContact OE2-CA 3.41Å; E629-F668 WeakPolarHBondContact OE2-CB 3.35Å; E629-F668 WeakPolarHBondContact OE2-CD1 3.37Å
630	G	85.5	Confident	87.5	Confident	8 Å²	8	39.3 Å²	39.3	8%	0.082	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-80.2	-8.8	175.9	0	0	0	0	0	115.1	I627 M628 L633 F634	I627-G630 PolarHBondContact O-N 3.16Å; M628-G630 PolarHBondContact O-N 2.75Å; G630-L633 PolarHBondContact O-N 2.84Å; G630-F634 PolarHBondContact O-N 2.89Å; G630-F634 VanDerWaalsContact O-N 3.13Å
631	L	89.6	Confident	87.6	Confident	11 Å²	11	44.4 Å²	44.4	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-41.9	-172.6	-178.4	60.9	0	0	0	114.1	L563 L614 L617 M628 E629 L633 F634 I635 F661	L563-L631 HydrophobicContact CD1-CD2 4.14Å; L563-L631 HydrophobicContact CD1-CG 4.17Å; L563-L631 HydrophobicContact CD2-CD2 4.3Å; L563-L631 HydrophobicContact CD2-CG 4.26Å; L614-L631 HydrophobicContact CD2-CD1 3.86Å; L614-L631 HydrophobicContact CD2-CD2 4.08Å; L614-L631 HydrophobicContact CD2-CG 4.46Å; L617-L631 HydrophobicContact CD1-CD1 4.25Å; L617-L631 HydrophobicContact CD2-CD1 4.47Å; M628-L631 WeakPolarHBondContact O-CB 3.34Å; M628-L631 PolarHBondContact O-N 2.94Å; E629-L631 VanDerWaalsContact C-N 3.34Å; L631-L633 PolarHBondContact O-N 2.88Å; L631-F634 HydrophobicContact CD1-CD1 4.1Å; L631-F634 WeakPolarHBondContact O-CB 3.16Å; L631-F634 PolarHBondContact O-N 3.41Å; L631-I635 HydrophobicContact CD1-CD1 4.44Å; L631-I635 HydrophobicContact CD1-CG1 4.23Å; L631-I635 WeakPolarHBondContact O-CG1 3.31Å; L631-I635 PolarHBondContact O-N 3.12Å; L631-I635 VanDerWaalsContact O-N 3.07Å; L631-F661 HydrophobicContact CB-CE2 4.14Å; L631-F661 HydrophobicContact CB-CZ 4.11Å; L631-F661 HydrophobicContact CD1-CE1 4.19Å; L631-F661 HydrophobicContact CD1-CZ 3.96Å
632	P	90.4	Very high	88	Confident	23 Å²	23	44.4 Å²	44.4	15%	0.149	23%	0.227	C	C	.	.	H	α-helix	trans	-54.7	-50.5	175.3	-27.9	36.9	0	0	0	112.5	L563 L566 A567 E629 F634 I635 L636	L563-P632 HydrophobicContact CD2-CG 3.98Å; L563-P632 WeakPolarHBondContact O-CB 3.38Å; L566-P632 HydrophobicContact CB-CB 4.08Å; L566-P632 HydrophobicContact CB-CG 4.2Å; A567-P632 HydrophobicContact CB-CB 4.02Å; A567-P632 VanDerWaalsContact CB-O 3.3Å; A567-P632 WeakPolarHBondContact CB-O 3.43Å; E629-P632 WeakPolarHBondContact O-CD 3.17Å; P632-F634 VanDerWaalsContact C-N 3.31Å; P632-F634 PolarHBondContact O-N 3.45Å; P632-I635 PolarHBondContact O-N 3.31Å; P632-L636 PolarHBondContact O-N 3.24Å; P632-L636 VanDerWaalsContact O-N 3.11Å
633	L	90.2	Very high	88.6	Confident	14 Å²	14	43 Å²	43	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-32.8	-177.9	-170.7	66.6	0	0	0	112	E572 G630 L631 L636 R637	E572-L633 HydrophobicContact CB-CD1 4.32Å; E572-L633 HydrophobicContact CB-CD2 4Å; E572-L633 WeakPolarHBondContact OE2-CD2 3.44Å; G630-L633 PolarHBondContact O-N 2.84Å; L631-L633 PolarHBondContact O-N 2.88Å; L633-L636 HydrophobicContact CD1-CD2 4.43Å; L633-R637 WeakPolarHBondContact O-CB 3.38Å; L633-R637 VanDerWaalsContact O-CG 3.27Å; L633-R637 WeakPolarHBondContact O-CG 3.16Å; L633-R637 PolarHBondContact O-N 3.2Å; L633-R637 VanDerWaalsContact O-N 3.08Å
634	F	92.6	Very high	89.3	Confident	5 Å²	5	36.2 Å²	36.2	2%	0.022	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-48.9	172.3	176	-126.6	0	0	0	111.7	L606 L617 G630 L631 P632 L636 R637 L638 F654 C658 F661	L606-F634 HydrophobicContact CD1-CE1 4.26Å; L606-F634 HydrophobicContact CD1-CZ 4.41Å; L617-F634 HydrophobicContact CD2-CE1 4.16Å; G630-F634 PolarHBondContact O-N 2.89Å; G630-F634 VanDerWaalsContact O-N 3.13Å; L631-F634 HydrophobicContact CD1-CD1 4.1Å; L631-F634 WeakPolarHBondContact O-CB 3.16Å; L631-F634 PolarHBondContact O-N 3.41Å; P632-F634 VanDerWaalsContact C-N 3.31Å; P632-F634 PolarHBondContact O-N 3.45Å; F634-L636 PolarHBondContact O-N 3.13Å; F634-R637 PolarHBondContact O-N 2.82Å; F634-L638 HydrophobicContact CD2-CD2 4.34Å; F634-L638 HydrophobicContact CD2-CG 4.19Å; F634-L638 HydrophobicContact CE1-CD1 3.99Å; F634-L638 HydrophobicContact CE2-CD1 4.08Å; F634-L638 HydrophobicContact CE2-CD2 3.6Å; F634-L638 HydrophobicContact CE2-CG 3.8Å; F634-L638 HydrophobicContact CZ-CD1 3.74Å; F634-L638 HydrophobicContact CZ-CD2 3.94Å; F634-L638 HydrophobicContact CZ-CG 4.01Å; F634-L638 WeakPolarHBondContact O-CG 3.43Å; F634-L638 PolarHBondContact O-N 2.91Å; F634-F654 HydrophobicContact CZ-CZ 4.48Å; F634-C658 VanDerWaalsContact CE2-CA 3.48Å; F634-C658 HydrophobicContact CE2-CB 3.96Å; F634-C658 HydrophobicContact CZ-CB 4.03Å; F634-F661 HydrophobicContact CB-CB 3.96Å; F634-F661 HydrophobicContact CB-CD1 4.22Å; F634-F661 HydrophobicContact CB-CD2 4.15Å; F634-F661 HydrophobicContact CB-CG 3.85Å; F634-F661 HydrophobicContact CD1-CB 4.42Å; F634-F661 AromaticContact CD1-CD1 3.49Å; F634-F661 HydrophobicContact CD1-CD1 3.49Å; F634-F661 VanDerWaalsContact CD1-CD1 3.49Å; F634-F661 AromaticContact CD1-CE1 3.92Å; F634-F661 HydrophobicContact CD1-CE1 3.92Å; F634-F661 HydrophobicContact CD1-CG 4.01Å; F634-F661 HydrophobicContact CD2-CB 3.81Å; F634-F661 HydrophobicContact CD2-CD1 4.33Å; F634-F661 HydrophobicContact CD2-CG 4.29Å; F634-F661 AromaticContact CE1-CD1 3.85Å; F634-F661 HydrophobicContact CE1-CD1 3.85Å; F634-F661 HydrophobicContact CE1-CE1 4.3Å; F634-F661 HydrophobicContact CE2-CB 4.45Å; F634-F661 HydrophobicContact CG-CB 3.81Å; F634-F661 AromaticContact CG-CD1 3.75Å; F634-F661 HydrophobicContact CG-CD1 3.75Å; F634-F661 AromaticContact CG-CG 3.79Å; F634-F661 HydrophobicContact CG-CG 3.79Å; F634-F661 HydrophobicContact CZ-CD1 4.42Å
635	I	93.1	Very high	89.6	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-42.1	179	-66.7	-53.7	0	0	0	112.2	L560 L563 I589 L593 L614 L631 P632 L638	L560-I635 HydrophobicContact CD2-CD1 3.77Å; L560-I635 HydrophobicContact CD2-CG1 4.04Å; L560-I635 HydrophobicContact CD2-CG2 3.82Å; L563-I635 HydrophobicContact CB-CG1 4.46Å; L563-I635 HydrophobicContact CD1-CG1 4.05Å; I589-I635 HydrophobicContact CG2-CG2 4.19Å; L593-I635 HydrophobicContact CD1-CG2 3.89Å; L614-I635 HydrophobicContact CD2-CD1 4.43Å; L631-I635 HydrophobicContact CD1-CD1 4.44Å; L631-I635 HydrophobicContact CD1-CG1 4.23Å; L631-I635 WeakPolarHBondContact O-CG1 3.31Å; L631-I635 PolarHBondContact O-N 3.12Å; L631-I635 VanDerWaalsContact O-N 3.07Å; P632-I635 PolarHBondContact O-N 3.31Å; I635-L638 HydrophobicContact CD1-CD1 4.4Å
636	L	92.1	Very high	90.1	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-49.8	173.7	176.1	61.6	0	0	0	111.4	A567 L568 I589 P632 L633 F634 L638 A639 T640	A567-L636 HydrophobicContact CB-CB 3.68Å; A567-L636 HydrophobicContact CB-CD2 3.88Å; A567-L636 HydrophobicContact CB-CG 4.37Å; L568-L636 HydrophobicContact CD2-CD1 4.06Å; L568-L636 HydrophobicContact CD2-CD2 4.32Å; L568-L636 HydrophobicContact CG-CD1 4.49Å; I589-L636 HydrophobicContact CD1-CD1 3.51Å; P632-L636 PolarHBondContact O-N 3.24Å; P632-L636 VanDerWaalsContact O-N 3.11Å; L633-L636 HydrophobicContact CD1-CD2 4.43Å; F634-L636 PolarHBondContact O-N 3.13Å; L636-L638 VanDerWaalsContact C-N 3.34Å; L636-L638 PolarHBondContact O-N 3.09Å; L636-A639 WeakPolarHBondContact O-CB 3.41Å; L636-A639 PolarHBondContact O-N 3.02Å; L636-T640 HydrophobicContact CD1-CG2 4.14Å; L636-T640 PolarHBondContact O-N 3.26Å
637	R	92.4	Very high	90.4	Very high	72 Å²	72	46.8 Å²	46.8	27%	0.272	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-28.8	-176.4	-73.5	-176.6	171.5	-141.1	-13	114.6	L633 F634 A639 T640 E641 E657	L633-R637 WeakPolarHBondContact O-CB 3.38Å; L633-R637 VanDerWaalsContact O-CG 3.27Å; L633-R637 WeakPolarHBondContact O-CG 3.16Å; L633-R637 PolarHBondContact O-N 3.2Å; L633-R637 VanDerWaalsContact O-N 3.08Å; F634-R637 PolarHBondContact O-N 2.82Å; R637-A639 PolarHBondContact O-N 2.93Å; R637-T640 PolarHBondContact O-N 2.91Å; R637-E641 HydrophobicContact CB-CG 3.83Å; R637-E641 HydrophobicContact CG-CG 3.83Å; R637-E641 PolarHBondContact O-N 2.88Å; R637-E657 HydrophobicContact CB-CG 4.35Å; R637-E657 WeakPolarHBondContact CD-OE2 3.44Å; R637-E657 IonicContact CZ-OE2 3.67Å; R637-E657 IonicContact NE-OE2 2.67Å; R637-E657 VanDerWaalsContact NH1-CD 3.35Å; R637-E657 IonicContact NH1-OE1 3.89Å; R637-E657 PolarHBondContact NH1-OE1 3.46Å; R637-E657 IonicContact NH1-OE2 2.69Å; R637-E657 PolarHBondContact NH1-OE2 3.18Å
638	L	93.1	Very high	90.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-30.2	170.7	-71.8	-174.8	0	0	0	112	L593 L606 F634 I635 L636 V642 W644 F654	L593-L638 HydrophobicContact CD2-CB 3.98Å; L606-L638 HydrophobicContact CD1-CD1 4.12Å; F634-L638 HydrophobicContact CD2-CD2 4.34Å; F634-L638 HydrophobicContact CD2-CG 4.19Å; F634-L638 HydrophobicContact CE1-CD1 3.99Å; F634-L638 HydrophobicContact CE2-CD1 4.08Å; F634-L638 HydrophobicContact CE2-CD2 3.6Å; F634-L638 HydrophobicContact CE2-CG 3.8Å; F634-L638 HydrophobicContact CZ-CD1 3.74Å; F634-L638 HydrophobicContact CZ-CD2 3.94Å; F634-L638 HydrophobicContact CZ-CG 4.01Å; F634-L638 WeakPolarHBondContact O-CG 3.43Å; F634-L638 PolarHBondContact O-N 2.91Å; I635-L638 HydrophobicContact CD1-CD1 4.4Å; L636-L638 VanDerWaalsContact C-N 3.34Å; L636-L638 PolarHBondContact O-N 3.09Å; L638-V642 HydrophobicContact CD2-CG2 4.24Å; L638-W644 VanDerWaalsContact O-CZ2 3.29Å; L638-W644 WeakPolarHBondContact O-CZ2 3.46Å; L638-W644 PolarHBondContact O-NE1 3.36Å; L638-F654 HydrophobicContact CD1-CE2 4.03Å; L638-F654 HydrophobicContact CD2-CD2 3.43Å; L638-F654 VanDerWaalsContact CD2-CD2 3.43Å; L638-F654 HydrophobicContact CD2-CE2 3.44Å; L638-F654 VanDerWaalsContact CD2-CE2 3.44Å; L638-F654 HydrophobicContact CD2-CG 4.37Å; L638-F654 HydrophobicContact CD2-CZ 4.4Å; L638-F654 HydrophobicContact CG-CE2 4.39Å
639	A	90.6	Very high	91.1	Very high	19 Å²	19	46.3 Å²	46.3	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-89.1	-23.3	177.3	0	0	0	0	0	114.2	I589 F592 L636 R637	I589-A639 HydrophobicContact CB-CB 4.36Å; I589-A639 HydrophobicContact CG1-CB 3.85Å; I589-A639 HydrophobicContact CG2-CB 4.06Å; F592-A639 HydrophobicContact CD1-CB 4.43Å; L636-A639 WeakPolarHBondContact O-CB 3.41Å; L636-A639 PolarHBondContact O-N 3.02Å; R637-A639 PolarHBondContact O-N 2.93Å
640	T	89.9	Confident	91.5	Very high	79 Å²	79	41.6 Å²	41.6	49%	0.485	21%	0.213	S	C	.	.	H	α-helix	trans	-105.2	-40.1	-175.7	64.1	0	0	0	0	115.2	L636 R637	L636-T640 HydrophobicContact CD1-CG2 4.14Å; L636-T640 PolarHBondContact O-N 3.26Å; R637-T640 PolarHBondContact O-N 2.91Å
641	E	91.3	Very high	91.9	Very high	108 Å²	108	41.7 Å²	41.7	51%	0.505	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-17.7	-168.4	-50.9	-52.9	119.8	0	0	114	R637 E657	R637-E641 HydrophobicContact CB-CG 3.83Å; R637-E641 HydrophobicContact CG-CG 3.83Å; R637-E641 PolarHBondContact O-N 2.88Å; E641-E657 HydrophobicContact CB-CG 4.24Å
642	V	93.8	Very high	92.1	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	22%	0.218	C	C	.	.	S	Bend	trans	-90.1	124.4	-174.7	179.6	0	0	0	0	110.2	L638 W644 F654	L638-V642 HydrophobicContact CD2-CG2 4.24Å; V642-W644 HydrophobicContact CB-CZ2 4.4Å; V642-W644 HydrophobicContact CG1-CD2 4.13Å; V642-W644 HydrophobicContact CG1-CG 4.38Å; V642-W644 HydrophobicContact CG1-CZ2 4.21Å; V642-W644 PolarHBondContact O-N 3.03Å; V642-W644 VanDerWaalsContact O-N 3.13Å; V642-W644 PolarHBondContact O-NE1 3.02Å; V642-F654 HydrophobicContact CG1-CB 4.25Å; V642-F654 HydrophobicContact CG2-CB 4.45Å
643	N	92.1	Very high	92.3	Very high	55 Å²	55	44 Å²	44	29%	0.294	22%	0.218	S	C	.	.			trans	-77.8	96.2	173.2	-177.2	3.3	0	0	0	111.3	D645 E649 C650	N643-D645 VanDerWaalsContact C-N 3.3Å; N643-D645 PolarHBondContact O-N 2.53Å; N643-D645 PolarHBondContact OD1-N 2.77Å; N643-D645 VanDerWaalsContact OD1-N 3.12Å; N643-E649 HydrophobicContact CB-CB 4.05Å; N643-E649 PolarHBondContact ND2-OE2 3.21Å; N643-C650 WeakPolarHBondContact O-CA 3.34Å; N643-C650 WeakPolarHBondContact O-CB 3.48Å; N643-C650 PolarHBondContact O-N 2.83Å
644	W	91.6	Very high	92.5	Very high	29 Å²	29	43.3 Å²	43.3	11%	0.11	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.7	-178.2	-63	90.7	0	0	0	115.8	F592 L593 K596 M599 L600 L638 V642	F592-W644 AromaticContact CE1-CD1 3.65Å; F592-W644 HydrophobicContact CE1-CD2 4.13Å; F592-W644 AromaticContact CE1-CE2 3.75Å; F592-W644 HydrophobicContact CE1-CG 4.07Å; F592-W644 HydrophobicContact CE1-CZ2 4.33Å; F592-W644 AromaticContact CE1-NE1 3.46Å; F592-W644 HydrophobicContact CZ-CB 4.28Å; F592-W644 AromaticContact CZ-CD1 3.48Å; F592-W644 VanDerWaalsContact CZ-CD1 3.48Å; F592-W644 HydrophobicContact CZ-CD2 4.24Å; F592-W644 AromaticContact CZ-CG 3.76Å; F592-W644 HydrophobicContact CZ-CG 3.76Å; F592-W644 AromaticContact CZ-NE1 3.82Å; L593-W644 HydrophobicContact CD2-CZ2 4.34Å; K596-W644 HydrophobicContact CB-CE3 4.4Å; K596-W644 HydrophobicContact CB-CH2 4.1Å; K596-W644 HydrophobicContact CB-CZ3 3.8Å; K596-W644 HydrophobicContact CD-CD2 4.33Å; K596-W644 HydrophobicContact CD-CE3 3.64Å; K596-W644 HydrophobicContact CD-CZ3 3.92Å; K596-W644 HydrophobicContact CG-CD2 4.35Å; K596-W644 HydrophobicContact CG-CE3 3.84Å; K596-W644 HydrophobicContact CG-CH2 4.2Å; K596-W644 HydrophobicContact CG-CZ3 3.75Å; M599-W644 HydrophobicContact CE-CE3 3.75Å; M599-W644 HydrophobicContact CE-CZ3 3.52Å; L600-W644 HydrophobicContact CD1-CH2 4.33Å; L600-W644 HydrophobicContact CD2-CH2 4Å; L600-W644 HydrophobicContact CG-CH2 4.3Å; L638-W644 VanDerWaalsContact O-CZ2 3.29Å; L638-W644 WeakPolarHBondContact O-CZ2 3.46Å; L638-W644 PolarHBondContact O-NE1 3.36Å; V642-W644 HydrophobicContact CB-CZ2 4.4Å; V642-W644 HydrophobicContact CG1-CD2 4.13Å; V642-W644 HydrophobicContact CG1-CG 4.38Å; V642-W644 HydrophobicContact CG1-CZ2 4.21Å; V642-W644 PolarHBondContact O-N 3.03Å; V642-W644 VanDerWaalsContact O-N 3.13Å; V642-W644 PolarHBondContact O-NE1 3.02Å
645	D	90.6	Very high	92.7	Very high	160 Å²	160	43 Å²	43	86%	0.856	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-17.3	-176.8	-68.2	-30.1	0	0	0	113.5	N643	N643-D645 VanDerWaalsContact C-N 3.3Å; N643-D645 PolarHBondContact O-N 2.53Å; N643-D645 PolarHBondContact OD1-N 2.77Å; N643-D645 VanDerWaalsContact OD1-N 3.12Å
646	N	93	Very high	92.7	Very high	66 Å²	66	47.3 Å²	47.3	35%	0.353	23%	0.232	S	C	.	.	S	Bend	trans	-122.7	114.3	-178.9	176.4	-1.6	0	0	0	110.3	K648 E649 C650	N646-K648 VanDerWaalsContact C-N 3.34Å; N646-K648 PolarHBondContact O-N 2.88Å; N646-K648 PolarHBondContact OD1-N 3.36Å; N646-E649 HydrophobicContact CB-CB 4.17Å; N646-E649 WeakPolarHBondContact ND2-CG 3.36Å; N646-E649 PolarHBondContact ND2-OE1 3.21Å; N646-E649 PolarHBondContact ND2-OE2 3.15Å; N646-E649 PolarHBondContact O-N 3.39Å; N646-E649 VanDerWaalsContact O-N 3.08Å; N646-C650 WeakPolarHBondContact O-CB 3.4Å; N646-C650 PolarHBondContact O-N 3.04Å
647	E	92	Very high	92.9	Very high	88 Å²	88	48.4 Å²	48.4	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-47.2	-50.5	-175.1	-174.3	-171	109.4	0	0	113.6	S483 E649 C650 F651	S483-E647 WeakPolarHBondContact CB-OE1 3.29Å; S483-E647 PolarHBondContact OG-OE1 2.93Å; E647-E649 VanDerWaalsContact C-N 3.35Å; E647-E649 PolarHBondContact O-N 3.49Å; E647-C650 PolarHBondContact O-N 3.4Å; E647-F651 HydrophobicContact CG-CD2 3.95Å; E647-F651 HydrophobicContact CG-CE2 3.29Å; E647-F651 HydrophobicContact CG-CZ 3.65Å; E647-F651 WeakPolarHBondContact O-CD2 3.25Å; E647-F651 VanDerWaalsContact O-CG 3.31Å; E647-F651 WeakPolarHBondContact O-CG 3.33Å; E647-F651 PolarHBondContact O-N 2.63Å; E647-F651 VanDerWaalsContact O-N 3.07Å
648	K	92.1	Very high	92.9	Very high	42 Å²	42	45 Å²	45	18%	0.183	22%	0.224	C	C	.	.	H	α-helix	trans	-71.2	-30	-175.2	-171.1	175.7	176.8	-174.9	0	112.9	D486 L487 E490 N646 R652	D486-K648 HydrophobicContact CB-CD 4.34Å; D486-K648 IonicContact OD2-NZ 3.28Å; D486-K648 PolarHBondContact OD2-NZ 3.32Å; L487-K648 HydrophobicContact CD1-CG 4.34Å; L487-K648 HydrophobicContact CG-CG 4.31Å; E490-K648 WeakPolarHBondContact OE1-CE 3.44Å; E490-K648 IonicContact OE1-NZ 3.48Å; E490-K648 PolarHBondContact OE1-NZ 2.82Å; N646-K648 VanDerWaalsContact C-N 3.34Å; N646-K648 PolarHBondContact O-N 2.88Å; N646-K648 PolarHBondContact OD1-N 3.36Å; K648-R652 VanDerWaalsContact O-CB 3.24Å; K648-R652 WeakPolarHBondContact O-CB 3.22Å; K648-R652 PolarHBondContact O-N 3.15Å
649	E	92.1	Very high	93	Very high	69 Å²	69	45.1 Å²	45.1	32%	0.322	23%	0.225	S	C	.	.	H	α-helix	trans	-81.3	-42.6	176.2	-70.7	170.8	174	0	0	110.5	N643 N646 E647 F651 R652 D653	N643-E649 HydrophobicContact CB-CB 4.05Å; N643-E649 PolarHBondContact ND2-OE2 3.21Å; N646-E649 HydrophobicContact CB-CB 4.17Å; N646-E649 WeakPolarHBondContact ND2-CG 3.36Å; N646-E649 PolarHBondContact ND2-OE1 3.21Å; N646-E649 PolarHBondContact ND2-OE2 3.15Å; N646-E649 PolarHBondContact O-N 3.39Å; N646-E649 VanDerWaalsContact O-N 3.08Å; E647-E649 VanDerWaalsContact C-N 3.35Å; E647-E649 PolarHBondContact O-N 3.49Å; E649-F651 PolarHBondContact O-N 2.68Å; E649-R652 PolarHBondContact O-N 3.17Å; E649-R652 VanDerWaalsContact O-N 3.13Å; E649-D653 WeakPolarHBondContact O-CB 3.3Å; E649-D653 VanDerWaalsContact O-CG 3.28Å; E649-D653 PolarHBondContact O-N 3.3Å
650	C	93	Very high	93.1	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-50.5	-52.1	172.6	-170.1	0	0	0	0	112	N643 N646 E647 F654	N643-C650 WeakPolarHBondContact O-CA 3.34Å; N643-C650 WeakPolarHBondContact O-CB 3.48Å; N643-C650 PolarHBondContact O-N 2.83Å; N646-C650 WeakPolarHBondContact O-CB 3.4Å; N646-C650 PolarHBondContact O-N 3.04Å; E647-C650 PolarHBondContact O-N 3.4Å; C650-F654 WeakPolarHBondContact O-CB 3.32Å; C650-F654 PolarHBondContact O-N 3.39Å
651	F	94.3	Very high	93.2	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.039	20%	0.2	C	C	.	.	H	α-helix	trans	-67.7	-38.4	179.7	-60.3	-26.3	0	0	0	112.5	L481 I484 L487 F546 Y603 F604 E647 E649 S655	L481-F651 HydrophobicContact CD1-CE2 3.91Å; L481-F651 HydrophobicContact CD1-CZ 4.22Å; I484-F651 HydrophobicContact CD1-CB 4.07Å; I484-F651 HydrophobicContact CD1-CD2 3.61Å; I484-F651 HydrophobicContact CD1-CE2 4.34Å; I484-F651 HydrophobicContact CD1-CG 4.09Å; I484-F651 HydrophobicContact CG1-CD2 4.09Å; I484-F651 HydrophobicContact CG1-CE2 4.39Å; L487-F651 HydrophobicContact CD1-CB 4.38Å; F546-F651 HydrophobicContact CE2-CB 4.18Å; F546-F651 AromaticContact CE2-CD1 3.97Å; F546-F651 HydrophobicContact CE2-CD1 3.97Å; F546-F651 HydrophobicContact CE2-CD2 4.41Å; F546-F651 HydrophobicContact CE2-CE1 4.46Å; F546-F651 AromaticContact CE2-CG 3.94Å; F546-F651 HydrophobicContact CE2-CG 3.94Å; F546-F651 AromaticContact CZ-CD1 3.7Å; F546-F651 HydrophobicContact CZ-CD1 3.7Å; F546-F651 AromaticContact CZ-CD2 4Å; F546-F651 HydrophobicContact CZ-CD2 4Å; F546-F651 AromaticContact CZ-CE1 3.75Å; F546-F651 HydrophobicContact CZ-CE1 3.75Å; F546-F651 HydrophobicContact CZ-CE2 4.03Å; F546-F651 AromaticContact CZ-CG 3.83Å; F546-F651 HydrophobicContact CZ-CG 3.83Å; F546-F651 AromaticContact CZ-CZ 3.91Å; F546-F651 HydrophobicContact CZ-CZ 3.91Å; Y603-F651 HydrophobicContact CD2-CE1 4.24Å; Y603-F651 HydrophobicContact CE2-CE1 4.5Å; Y603-F651 HydrophobicContact CE2-CZ 4.46Å; F604-F651 HydrophobicContact CE2-CD1 4.4Å; F604-F651 HydrophobicContact CZ-CD1 4.1Å; E647-F651 HydrophobicContact CG-CD2 3.95Å; E647-F651 HydrophobicContact CG-CE2 3.29Å; E647-F651 HydrophobicContact CG-CZ 3.65Å; E647-F651 WeakPolarHBondContact O-CD2 3.25Å; E647-F651 VanDerWaalsContact O-CG 3.31Å; E647-F651 WeakPolarHBondContact O-CG 3.33Å; E647-F651 PolarHBondContact O-N 2.63Å; E647-F651 VanDerWaalsContact O-N 3.07Å; E649-F651 PolarHBondContact O-N 2.68Å; F651-S655 WeakPolarHBondContact O-CB 3.31Å; F651-S655 PolarHBondContact O-N 3.13Å; F651-S655 PolarHBondContact O-OG 2.99Å
652	R	94	Very high	93.3	Very high	53 Å²	53	36.2 Å²	36.2	20%	0.2	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-47.5	177.5	179.8	-171.8	-75.8	144.4	-9.7	111.3	L487 E490 K648 E649 S655 K656	L487-R652 HydrophobicContact CD1-CB 4.33Å; L487-R652 HydrophobicContact CD2-CB 4.03Å; L487-R652 HydrophobicContact CD2-CG 4.17Å; E490-R652 VanDerWaalsContact CD-NH2 3.34Å; E490-R652 IonicContact OE1-NH2 2.75Å; E490-R652 PolarHBondContact OE1-NH2 3.41Å; E490-R652 VanDerWaalsContact OE1-NH2 3.15Å; E490-R652 IonicContact OE2-CZ 3.17Å; E490-R652 IonicContact OE2-NE 2.65Å; E490-R652 IonicContact OE2-NH2 3.47Å; E490-R652 PolarHBondContact OE2-NH2 2.94Å; K648-R652 VanDerWaalsContact O-CB 3.24Å; K648-R652 WeakPolarHBondContact O-CB 3.22Å; K648-R652 PolarHBondContact O-N 3.15Å; E649-R652 PolarHBondContact O-N 3.17Å; E649-R652 VanDerWaalsContact O-N 3.13Å; R652-S655 PolarHBondContact O-N 3.03Å; R652-K656 WeakPolarHBondContact O-CG 3.42Å; R652-K656 PolarHBondContact O-N 3.08Å
653	D	94.7	Very high	93.1	Very high	29 Å²	29	36.1 Å²	36.1	16%	0.155	18%	0.175	C	C	.	.	H	α-helix	trans	-83.6	-35	-169	-60.2	-31.5	0	0	0	112	E649 S655 K656 E657	E649-D653 WeakPolarHBondContact O-CB 3.3Å; E649-D653 VanDerWaalsContact O-CG 3.28Å; E649-D653 PolarHBondContact O-N 3.3Å; D653-S655 VanDerWaalsContact C-N 3.29Å; D653-S655 PolarHBondContact O-N 3Å; D653-K656 PolarHBondContact O-N 3.29Å; D653-K656 WeakPolarHBondContact OD1-CE 3.4Å; D653-K656 IonicContact OD1-NZ 2.68Å; D653-K656 PolarHBondContact OD1-NZ 2.96Å; D653-E657 PolarHBondContact O-N 2.94Å; D653-E657 VanDerWaalsContact O-N 3.07Å
654	F	95.2	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.2	-46.8	163.2	-178.2	-81.2	0	0	0	110.7	L600 F604 L606 F634 L638 V642 C650 K656 E657 C658	L600-F654 HydrophobicContact CD2-CD2 3.91Å; L600-F654 HydrophobicContact CD2-CE2 3.3Å; L600-F654 HydrophobicContact CD2-CZ 3.93Å; F604-F654 HydrophobicContact CB-CE1 3.73Å; F604-F654 HydrophobicContact CB-CZ 3.88Å; F604-F654 AromaticContact CD1-CD1 3.46Å; F604-F654 HydrophobicContact CD1-CD1 3.46Å; F604-F654 VanDerWaalsContact CD1-CD1 3.46Å; F604-F654 AromaticContact CD1-CE1 3.31Å; F604-F654 HydrophobicContact CD1-CE1 3.31Å; F604-F654 HydrophobicContact CD1-CZ 4.25Å; F604-F654 AromaticContact CD2-CD1 3.9Å; F604-F654 HydrophobicContact CD2-CD1 3.9Å; F604-F654 HydrophobicContact CD2-CD2 4.47Å; F604-F654 AromaticContact CD2-CE1 3.81Å; F604-F654 HydrophobicContact CD2-CE1 3.81Å; F604-F654 HydrophobicContact CD2-CE2 4.4Å; F604-F654 HydrophobicContact CD2-CG 4.25Å; F604-F654 HydrophobicContact CD2-CZ 4.07Å; F604-F654 AromaticContact CE1-CD1 3.32Å; F604-F654 HydrophobicContact CE1-CD1 3.32Å; F604-F654 AromaticContact CE1-CE1 3.73Å; F604-F654 HydrophobicContact CE1-CE1 3.73Å; F604-F654 HydrophobicContact CE1-CG 4.18Å; F604-F654 HydrophobicContact CE2-CB 4.39Å; F604-F654 AromaticContact CE2-CD1 3.77Å; F604-F654 HydrophobicContact CE2-CD1 3.77Å; F604-F654 HydrophobicContact CE2-CD2 4.4Å; F604-F654 HydrophobicContact CE2-CE1 4.18Å; F604-F654 AromaticContact CE2-CG 3.91Å; F604-F654 HydrophobicContact CE2-CG 3.91Å; F604-F654 AromaticContact CG-CD1 3.73Å; F604-F654 HydrophobicContact CG-CD1 3.73Å; F604-F654 AromaticContact CG-CE1 3.33Å; F604-F654 HydrophobicContact CG-CE1 3.33Å; F604-F654 AromaticContact CG-CZ 3.82Å; F604-F654 HydrophobicContact CG-CZ 3.82Å; F604-F654 HydrophobicContact CZ-CB 4.09Å; F604-F654 AromaticContact CZ-CD1 3.46Å; F604-F654 HydrophobicContact CZ-CD1 3.46Å; F604-F654 VanDerWaalsContact CZ-CD1 3.46Å; F604-F654 HydrophobicContact CZ-CE1 4.13Å; F604-F654 AromaticContact CZ-CG 3.85Å; F604-F654 HydrophobicContact CZ-CG 3.85Å; L606-F654 HydrophobicContact CD1-CE2 4.26Å; L606-F654 HydrophobicContact CD1-CZ 3.99Å; F634-F654 HydrophobicContact CZ-CZ 4.48Å; L638-F654 HydrophobicContact CD1-CE2 4.03Å; L638-F654 HydrophobicContact CD2-CD2 3.43Å; L638-F654 VanDerWaalsContact CD2-CD2 3.43Å; L638-F654 HydrophobicContact CD2-CE2 3.44Å; L638-F654 VanDerWaalsContact CD2-CE2 3.44Å; L638-F654 HydrophobicContact CD2-CG 4.37Å; L638-F654 HydrophobicContact CD2-CZ 4.4Å; L638-F654 HydrophobicContact CG-CE2 4.39Å; V642-F654 HydrophobicContact CG1-CB 4.25Å; V642-F654 HydrophobicContact CG2-CB 4.45Å; C650-F654 WeakPolarHBondContact O-CB 3.32Å; C650-F654 PolarHBondContact O-N 3.39Å; F654-K656 VanDerWaalsContact C-N 3.29Å; F654-K656 PolarHBondContact O-N 2.83Å; F654-E657 PolarHBondContact O-N 3.03Å; F654-C658 HydrophobicContact CD1-CB 4.29Å; F654-C658 HydrophobicContact CE1-CB 3.94Å; F654-C658 VanDerWaalsContact O-CB 3.28Å; F654-C658 WeakPolarHBondContact O-CB 3.24Å; F654-C658 PolarHBondContact O-N 2.9Å
655	S	95.2	Very high	92.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-31.2	-178.8	-60.3	0	0	0	0	112.7	L542 F651 R652 D653 S659	L542-S655 WeakPolarHBondContact CD1-O 3.39Å; F651-S655 WeakPolarHBondContact O-CB 3.31Å; F651-S655 PolarHBondContact O-N 3.13Å; F651-S655 PolarHBondContact O-OG 2.99Å; R652-S655 PolarHBondContact O-N 3.03Å; D653-S655 VanDerWaalsContact C-N 3.29Å; D653-S655 PolarHBondContact O-N 3Å; S655-S659 WeakPolarHBondContact O-CB 3.3Å; S655-S659 PolarHBondContact O-N 3.5Å; S655-S659 PolarHBondContact O-OG 2.83Å
656	K	94.7	Very high	91.2	Very high	92 Å²	92	32 Å²	32	40%	0.4	15%	0.147	S	C	.	.	H	α-helix	trans	-67.8	-47.9	172.9	-74.2	170.5	-172.5	160.6	0	112.4	Y539 R652 D653 F654 S659 A660	Y539-K656 HydrophobicContact CD2-CG 4.24Å; Y539-K656 HydrophobicContact CE2-CG 4.17Å; R652-K656 WeakPolarHBondContact O-CG 3.42Å; R652-K656 PolarHBondContact O-N 3.08Å; D653-K656 PolarHBondContact O-N 3.29Å; D653-K656 WeakPolarHBondContact OD1-CE 3.4Å; D653-K656 IonicContact OD1-NZ 2.68Å; D653-K656 PolarHBondContact OD1-NZ 2.96Å; F654-K656 VanDerWaalsContact C-N 3.29Å; F654-K656 PolarHBondContact O-N 2.83Å; K656-S659 PolarHBondContact O-N 2.9Å; K656-S659 PolarHBondContact O-OG 2.82Å; K656-A660 VanDerWaalsContact O-CB 3.27Å; K656-A660 WeakPolarHBondContact O-CB 3.46Å; K656-A660 PolarHBondContact O-N 2.88Å
657	E	94.6	Very high	90	Very high	33 Å²	33	33.6 Å²	33.6	15%	0.154	15%	0.152	C	C	.	.	H	α-helix	trans	-75.6	-33.8	-176.6	-69.7	-53.3	134.5	0	0	112.2	R637 E641 D653 F654 A660 F661	R637-E657 HydrophobicContact CB-CG 4.35Å; R637-E657 WeakPolarHBondContact CD-OE2 3.44Å; R637-E657 IonicContact CZ-OE2 3.67Å; R637-E657 IonicContact NE-OE2 2.67Å; R637-E657 VanDerWaalsContact NH1-CD 3.35Å; R637-E657 IonicContact NH1-OE1 3.89Å; R637-E657 PolarHBondContact NH1-OE1 3.46Å; R637-E657 IonicContact NH1-OE2 2.69Å; R637-E657 PolarHBondContact NH1-OE2 3.18Å; E641-E657 HydrophobicContact CB-CG 4.24Å; D653-E657 PolarHBondContact O-N 2.94Å; D653-E657 VanDerWaalsContact O-N 3.07Å; F654-E657 PolarHBondContact O-N 3.03Å; E657-A660 PolarHBondContact O-N 3.15Å; E657-F661 PolarHBondContact O-N 3.15Å
658	C	93.9	Very high	88.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-44.1	168.7	-170.6	0	0	0	0	111	L542 F634 F654 A660 F661 Y662	L542-C658 HydrophobicContact CD1-CB 3.76Å; F634-C658 VanDerWaalsContact CE2-CA 3.48Å; F634-C658 HydrophobicContact CE2-CB 3.96Å; F634-C658 HydrophobicContact CZ-CB 4.03Å; F654-C658 HydrophobicContact CD1-CB 4.29Å; F654-C658 HydrophobicContact CE1-CB 3.94Å; F654-C658 VanDerWaalsContact O-CB 3.28Å; F654-C658 WeakPolarHBondContact O-CB 3.24Å; F654-C658 PolarHBondContact O-N 2.9Å; C658-A660 VanDerWaalsContact C-N 3.32Å; C658-A660 PolarHBondContact O-N 2.97Å; C658-F661 PolarHBondContact O-N 2.96Å; C658-Y662 WeakPolarHBondContact O-CD2 3.46Å; C658-Y662 PolarHBondContact O-N 2.8Å
659	S	94.6	Very high	87.3	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-32.5	176.2	80.7	0	0	0	0	113.2	R535 S655 K656 Y662 S663	R535-S659 WeakPolarHBondContact CG-OG 2.93Å; R535-S659 WeakPolarHBondContact O-CB 3.19Å; R535-S659 PolarHBondContact O-OG 3.24Å; S655-S659 WeakPolarHBondContact O-CB 3.3Å; S655-S659 PolarHBondContact O-N 3.5Å; S655-S659 PolarHBondContact O-OG 2.83Å; K656-S659 PolarHBondContact O-N 2.9Å; K656-S659 PolarHBondContact O-OG 2.82Å; S659-Y662 PolarHBondContact O-N 2.9Å; S659-S663 WeakPolarHBondContact O-CB 3.22Å; S659-S663 PolarHBondContact O-N 2.91Å
660	A	92.5	Very high	85.6	Confident	7 Å²	7	33.7 Å²	33.7	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-71.1	-29.3	174.8	0	0	0	0	0	112.8	R535 K656 E657 C658 S663 R665	R535-A660 HydrophobicContact CG-CB 4.46Å; K656-A660 VanDerWaalsContact O-CB 3.27Å; K656-A660 WeakPolarHBondContact O-CB 3.46Å; K656-A660 PolarHBondContact O-N 2.88Å; E657-A660 PolarHBondContact O-N 3.15Å; C658-A660 VanDerWaalsContact C-N 3.32Å; C658-A660 PolarHBondContact O-N 2.97Å; A660-S663 PolarHBondContact O-OG 2.92Å; A660-R665 PolarHBondContact O-NE 3.07Å; A660-R665 VanDerWaalsContact O-NE 3.08Å; A660-R665 PolarHBondContact O-NH2 2.92Å
661	F	92.6	Very high	83.8	Confident	11 Å²	11	38.4 Å²	38.4	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-72.3	-42.5	169.7	169.7	-132.2	0	0	0	111.6	L617 P626 M628 L631 F634 E657 C658	L617-F661 HydrophobicContact CD1-CE1 4.19Å; L617-F661 HydrophobicContact CD1-CZ 4.47Å; L617-F661 HydrophobicContact CD2-CE1 4.41Å; P626-F661 HydrophobicContact CB-CE1 4.18Å; P626-F661 HydrophobicContact CB-CE2 4.29Å; P626-F661 HydrophobicContact CB-CZ 3.98Å; P626-F661 HydrophobicContact CG-CE1 3.98Å; P626-F661 HydrophobicContact CG-CZ 3.9Å; M628-F661 HydrophobicContact SD-CZ 4.32Å; L631-F661 HydrophobicContact CB-CE2 4.14Å; L631-F661 HydrophobicContact CB-CZ 4.11Å; L631-F661 HydrophobicContact CD1-CE1 4.19Å; L631-F661 HydrophobicContact CD1-CZ 3.96Å; F634-F661 HydrophobicContact CB-CB 3.96Å; F634-F661 HydrophobicContact CB-CD1 4.22Å; F634-F661 HydrophobicContact CB-CD2 4.15Å; F634-F661 HydrophobicContact CB-CG 3.85Å; F634-F661 HydrophobicContact CD1-CB 4.42Å; F634-F661 AromaticContact CD1-CD1 3.49Å; F634-F661 HydrophobicContact CD1-CD1 3.49Å; F634-F661 VanDerWaalsContact CD1-CD1 3.49Å; F634-F661 AromaticContact CD1-CE1 3.92Å; F634-F661 HydrophobicContact CD1-CE1 3.92Å; F634-F661 HydrophobicContact CD1-CG 4.01Å; F634-F661 HydrophobicContact CD2-CB 3.81Å; F634-F661 HydrophobicContact CD2-CD1 4.33Å; F634-F661 HydrophobicContact CD2-CG 4.29Å; F634-F661 AromaticContact CE1-CD1 3.85Å; F634-F661 HydrophobicContact CE1-CD1 3.85Å; F634-F661 HydrophobicContact CE1-CE1 4.3Å; F634-F661 HydrophobicContact CE2-CB 4.45Å; F634-F661 HydrophobicContact CG-CB 3.81Å; F634-F661 AromaticContact CG-CD1 3.75Å; F634-F661 HydrophobicContact CG-CD1 3.75Å; F634-F661 AromaticContact CG-CG 3.79Å; F634-F661 HydrophobicContact CG-CG 3.79Å; F634-F661 HydrophobicContact CZ-CD1 4.42Å; E657-F661 PolarHBondContact O-N 3.15Å; C658-F661 PolarHBondContact O-N 2.96Å
662	Y	91.9	Very high	81.5	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-76.2	-21.8	-178.7	-80	-119.8	0	0	0	113.6	F538 L552 P618 L620 Y624 P626 C658 S659	F538-Y662 HydrophobicContact CE1-CD1 4.42Å; F538-Y662 VanDerWaalsContact CE2-O 3.25Å; F538-Y662 WeakPolarHBondContact CE2-O 3.28Å; L552-Y662 HydrophobicContact CD1-CE1 4.47Å; P618-Y662 HydrophobicContact CG-CE2 4.48Å; P618-Y662 VanDerWaalsContact O-CE1 3.32Å; P618-Y662 WeakPolarHBondContact O-CE1 3.38Å; P618-Y662 VanDerWaalsContact O-CZ 3.27Å; P618-Y662 PolarHBondContact O-OH 2.83Å; L620-Y662 HydrophobicContact CB-CD1 4.32Å; L620-Y662 HydrophobicContact CB-CE1 4.36Å; L620-Y662 HydrophobicContact CD1-CD1 3.68Å; L620-Y662 HydrophobicContact CD1-CD2 4.37Å; L620-Y662 HydrophobicContact CD1-CE1 3.96Å; L620-Y662 HydrophobicContact CD1-CG 3.9Å; L620-Y662 HydrophobicContact CG-CD1 4.05Å; L620-Y662 HydrophobicContact CG-CE1 3.91Å; Y624-Y662 HydrophobicContact CD1-CD1 4.34Å; Y624-Y662 HydrophobicContact CE1-CD1 4.29Å; Y624-Y662 WeakPolarHBondContact CE1-O 3.38Å; Y624-Y662 PolarHBondContact OH-O 2.85Å; P626-Y662 HydrophobicContact CB-CD1 4.07Å; P626-Y662 HydrophobicContact CB-CD2 4.12Å; P626-Y662 HydrophobicContact CB-CE1 4.28Å; P626-Y662 HydrophobicContact CB-CE2 4.31Å; P626-Y662 HydrophobicContact CB-CG 3.99Å; P626-Y662 HydrophobicContact CG-CD1 4.21Å; P626-Y662 HydrophobicContact CG-CD2 4.38Å; P626-Y662 HydrophobicContact CG-CE1 3.9Å; P626-Y662 HydrophobicContact CG-CE2 4.08Å; P626-Y662 HydrophobicContact CG-CG 4.44Å; C658-Y662 WeakPolarHBondContact O-CD2 3.46Å; C658-Y662 PolarHBondContact O-N 2.8Å; S659-Y662 PolarHBondContact O-N 2.9Å
663	S	91.5	Very high	78.8	Confident	6 Å²	6	46 Å²	46	4%	0.042	23%	0.231	C	C	.	.	S	Bend	trans	-60.8	141.2	176.3	70.6	0	0	0	0	113.4	S659 A660 R665	S659-S663 WeakPolarHBondContact O-CB 3.22Å; S659-S663 PolarHBondContact O-N 2.91Å; A660-S663 PolarHBondContact O-OG 2.92Å; S663-R665 PolarHBondContact O-N 2.86Å
664	I	83.3	Confident	75.9	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	27%	0.267	C	S	.	.			trans	-72.1	113.5	175.8	-64.3	-175.9	0	0	0	109.2	P514 T531 S534 Y624 V669 V689 L693	P514-I664 HydrophobicContact CB-CG2 4.15Å; T531-I664 WeakPolarHBondContact CA-O 3.29Å; T531-I664 VanDerWaalsContact CB-O 3.29Å; T531-I664 WeakPolarHBondContact CB-O 3.17Å; T531-I664 VanDerWaalsContact CG2-O 3.31Å; T531-I664 WeakPolarHBondContact CG2-O 3.46Å; T531-I664 PolarHBondContact OG1-O 2.84Å; S534-I664 PolarHBondContact OG-N 2.83Å; Y624-I664 HydrophobicContact CE2-CD1 4.49Å; Y624-I664 VanDerWaalsContact OH-CG1 3.29Å; Y624-I664 WeakPolarHBondContact OH-CG1 3.42Å; I664-V669 HydrophobicContact CG2-CG2 4.05Å; I664-V689 HydrophobicContact CD1-CG2 3.58Å; I664-L693 HydrophobicContact CD1-CD1 3.46Å; I664-L693 VanDerWaalsContact CD1-CD1 3.46Å; I664-L693 HydrophobicContact CG1-CD1 3.98Å
665	R	79.3	Confident	73.3	Confident	44 Å²	44	54.8 Å²	54.8	17%	0.166	30%	0.303	C	S	.	.			trans	-108.4	129.5	175	-54.4	-171.2	-167.7	-176.1	4.6	111	T531 A660 S663 Q667 F668	T531-R665 HydrophobicContact CG2-CG 4.45Å; A660-R665 PolarHBondContact O-NE 3.07Å; A660-R665 VanDerWaalsContact O-NE 3.08Å; A660-R665 PolarHBondContact O-NH2 2.92Å; S663-R665 PolarHBondContact O-N 2.86Å; R665-Q667 HydrophobicContact CB-CG 4.01Å; R665-Q667 PolarHBondContact O-N 2.78Å; R665-Q667 VanDerWaalsContact O-N 3.09Å; R665-F668 HydrophobicContact CB-CD2 4.12Å; R665-F668 PolarHBondContact O-N 2.96Å; R665-F668 VanDerWaalsContact O-N 3.11Å
666	K	71.8	Confident	70.6	Confident	108 Å²	108	59.8 Å²	59.8	47%	0.47	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-55.2	-27.5	177.4	-175.6	172.4	-180	173.6	0	114.4	D513 P514 F668 V669	D513-K666 WeakPolarHBondContact OD2-CE 3.22Å; D513-K666 IonicContact OD2-NZ 2.75Å; D513-K666 PolarHBondContact OD2-NZ 2.85Å; P514-K666 HydrophobicContact CB-CB 4.27Å; P514-K666 HydrophobicContact CG-CG 4.37Å; K666-F668 VanDerWaalsContact C-N 3.26Å; K666-F668 PolarHBondContact O-N 3.11Å; K666-V669 PolarHBondContact O-N 2.82Å
667	Q	66.1	Low	67.8	Low	100 Å²	100	64 Å²	64	47%	0.467	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-67.7	-21.5	179.5	72.2	-161.1	64.5	0	0	114.5	E572 R665	E572-Q667 PolarHBondContact OE1-NE2 3.25Å; E572-Q667 PolarHBondContact OE2-NE2 2.85Å; R665-Q667 HydrophobicContact CB-CG 4.01Å; R665-Q667 PolarHBondContact O-N 2.78Å; R665-Q667 VanDerWaalsContact O-N 3.09Å
668	F	64.3	Low	65.3	Low	40 Å²	40	68.3 Å²	68.3	18%	0.175	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-113.3	13.1	-179.5	-53.9	-53.8	0	0	0	112.5	I627 E629 R665 K666	I627-F668 HydrophobicContact CB-CB 4.25Å; I627-F668 HydrophobicContact CD1-CB 4.12Å; I627-F668 HydrophobicContact CG2-CB 3.72Å; I627-F668 WeakPolarHBondContact CG2-O 3.42Å; E629-F668 HydrophobicContact CB-CB 4.26Å; E629-F668 HydrophobicContact CB-CD1 3.67Å; E629-F668 HydrophobicContact CB-CE1 4.24Å; E629-F668 HydrophobicContact CB-CG 4.11Å; E629-F668 VanDerWaalsContact OE2-CA 3.28Å; E629-F668 WeakPolarHBondContact OE2-CA 3.41Å; E629-F668 WeakPolarHBondContact OE2-CB 3.35Å; E629-F668 WeakPolarHBondContact OE2-CD1 3.37Å; R665-F668 HydrophobicContact CB-CD2 4.12Å; R665-F668 PolarHBondContact O-N 2.96Å; R665-F668 VanDerWaalsContact O-N 3.11Å; K666-F668 VanDerWaalsContact C-N 3.26Å; K666-F668 PolarHBondContact O-N 3.11Å
669	V	64.8	Low	62.8	Low	21 Å²	21	75.9 Å²	75.9	13%	0.127	42%	0.417	C	S	.	.			trans	-111.8	101.1	-179.8	176.9	0	0	0	0	109.6	P514 I627 I664 K666 E671 W685	P514-V669 HydrophobicContact CB-CB 4.03Å; P514-V669 HydrophobicContact CB-CG1 4.08Å; P514-V669 HydrophobicContact CB-CG2 4.06Å; P514-V669 HydrophobicContact CG-CB 3.79Å; P514-V669 HydrophobicContact CG-CG1 3.53Å; P514-V669 HydrophobicContact CG-CG2 4.36Å; I627-V669 HydrophobicContact CD1-CG2 3.52Å; I664-V669 HydrophobicContact CG2-CG2 4.05Å; K666-V669 PolarHBondContact O-N 2.82Å; V669-E671 PolarHBondContact O-N 3.43Å; V669-W685 HydrophobicContact CG1-CB 4.2Å; V669-W685 HydrophobicContact CG1-CD2 3.98Å; V669-W685 HydrophobicContact CG1-CG 3.58Å
670	L	55.7	Low	60	Low	141 Å²	141	82.1 Å²	82.1	74%	0.738	46%	0.458	S	S	*	.			trans	-64.1	125.4	172.7	-59.2	174.3	0	0	0	110	A672	L670-A672 PolarHBondContact O-N 3.05Å
671	E	54.2	Low	57.7	Low	102 Å²	102	89.8 Å²	89.8	48%	0.477	50%	0.497	S	S	.	.			trans	-77.9	112.5	161.2	-67.3	-162.9	143.5	0	0	107.4	K251 V669	K251-E671 IonicContact NZ-OE2 3.67Å; K251-E671 PolarHBondContact NZ-OE2 3.37Å; V669-E671 PolarHBondContact O-N 3.43Å
672	A	46	Very low	55.5	Low	78 Å²	78	91.4 Å²	91.4	65%	0.645	52%	0.517	S	S	*	.			trans	-53.6	142.3	172	0	0	0	0	0	111.1	L670	L670-A672 PolarHBondContact O-N 3.05Å
673	E	38.8	Very low	53.8	Low	144 Å²	144	95.3 Å²	95.3	67%	0.673	54%	0.538	S	S	*	.			trans	-73.3	159.7	-179.1	-74	-124.4	156.8	0	0	111.1	G675 D676	E673-G675 PolarHBondContact O-N 2.74Å; E673-D676 PolarHBondContact N-OD2 3.19Å; E673-D676 PolarHBondContact O-N 2.69Å
674	P	33.7	Very low	52.9	Low	141 Å²	141	98 Å²	98	92%	0.916	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	66.4	178.8	-15.8	32.6	0	0	0	112.8
675	G	40	Very low	52.9	Low	73 Å²	73	99.2 Å²	99.2	75%	0.753	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.4	-11	-178.2	0	0	0	0	0	115.7	E673	E673-G675 PolarHBondContact O-N 2.74Å
676	D	38.6	Very low	53.1	Low	105 Å²	105	101.5 Å²	101.5	56%	0.561	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-69.4	133.5	179.5	-60.6	-38.8	0	0	0	111.5	E673	E673-D676 PolarHBondContact N-OD2 3.19Å; E673-D676 PolarHBondContact O-N 2.69Å
677	E	34.9	Very low	53.8	Low	180 Å²	180	100.7 Å²	100.7	84%	0.841	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-70.2	143	168.1	-68.1	-169	164.8	0	0	109.8	E679	E677-E679 PolarHBondContact O-N 3.45Å
678	P	42.3	Very low	54.7	Low	123 Å²	123	97.2 Å²	97.2	80%	0.799	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-65.1	129.4	179.8	27.2	-34.1	0	0	0	110.7
679	E	41.8	Very low	55.8	Low	159 Å²	159	95.3 Å²	95.3	74%	0.743	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-57.1	137.3	178	-71.6	-163.7	149.9	0	0	111.7	E677 D681 G682	E677-E679 PolarHBondContact O-N 3.45Å; E679-D681 PolarHBondContact O-N 3.5Å; E679-D681 VanDerWaalsContact O-N 3.07Å; E679-G682 PolarHBondContact O-N 2.92Å
680	P	36.4	Very low	56.9	Low	135 Å²	135	96.2 Å²	96.2	88%	0.877	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.5	-165.2	24.9	-35	0	0	0	115.9
681	D	43.5	Very low	58.3	Low	167 Å²	167	93 Å²	93	89%	0.893	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	1.6	179.8	-102.9	-41.1	0	0	0	113.5	E679	E679-D681 PolarHBondContact O-N 3.5Å; E679-D681 VanDerWaalsContact O-N 3.07Å
682	G	46.4	Very low	59.9	Low	45 Å²	45	88.9 Å²	88.9	46%	0.464	51%	0.506	S	S	.	.			trans	-98.5	102.2	-166.2	0	0	0	0	0	115.1	E679 S684	E679-G682 PolarHBondContact O-N 2.92Å; G682-S684 PolarHBondContact O-N 3.48Å
683	N	56.3	Low	62	Low	84 Å²	84	85.1 Å²	85.1	45%	0.449	48%	0.475	S	S	.	.			trans	-62.6	111.4	168	-87	-39.4	0	0	0	110.8	W687 N688	N683-W687 HydrophobicContact CB-CD2 4.24Å; N683-W687 HydrophobicContact CB-CE3 3.84Å; N683-W687 HydrophobicContact CB-CZ3 4.44Å; N683-W687 VanDerWaalsContact CG-CE3 3.48Å; N683-W687 WeakPolarHBondContact ND2-CZ3 3.23Å; N683-N688 WeakPolarHBondContact CB-OD1 3.46Å; N683-N688 PolarHBondContact O-ND2 3.45Å
684	S	73.6	Confident	64.5	Low	64 Å²	64	78.4 Å²	78.4	45%	0.448	44%	0.444	S	S	.	.			trans	-50.7	146	176.9	-174.9	0	0	0	0	112	G682 R686 W687 N688	G682-S684 PolarHBondContact O-N 3.48Å; S684-R686 PolarHBondContact O-N 3.45Å; S684-W687 WeakPolarHBondContact O-CA 3.45Å; S684-W687 VanDerWaalsContact O-CB 3.27Å; S684-W687 WeakPolarHBondContact O-CB 3.49Å; S684-W687 PolarHBondContact O-N 3.01Å; S684-N688 PolarHBondContact O-N 3.37Å; S684-N688 VanDerWaalsContact O-N 3.14Å
685	W	81.9	Confident	67.1	Low	30 Å²	30	78.5 Å²	78.5	11%	0.114	43%	0.43	C	S	.	.	H	α-helix	trans	-52.4	-33.4	179.3	71	-100.1	0	0	0	113.2	C511 P514 V669 W687 N688 V689	C511-W685 HydrophobicContact CB-CH2 3.71Å; C511-W685 HydrophobicContact CB-CZ3 3.69Å; P514-W685 HydrophobicContact CB-CE3 4.37Å; P514-W685 HydrophobicContact CB-CH2 4.42Å; P514-W685 HydrophobicContact CB-CZ3 4.3Å; P514-W685 HydrophobicContact CG-CD2 4.33Å; P514-W685 HydrophobicContact CG-CE3 4.46Å; P514-W685 HydrophobicContact CG-CH2 3.97Å; P514-W685 HydrophobicContact CG-CZ2 3.77Å; P514-W685 HydrophobicContact CG-CZ3 4.3Å; V669-W685 HydrophobicContact CG1-CB 4.2Å; V669-W685 HydrophobicContact CG1-CD2 3.98Å; V669-W685 HydrophobicContact CG1-CG 3.58Å; W685-W687 VanDerWaalsContact C-N 3.33Å; W685-W687 PolarHBondContact O-N 3.03Å; W685-N688 PolarHBondContact O-N 2.85Å; W685-V689 HydrophobicContact CE3-CG2 3.99Å; W685-V689 HydrophobicContact CZ3-CG2 4.33Å; W685-V689 WeakPolarHBondContact O-CG2 3.37Å; W685-V689 PolarHBondContact O-N 2.97Å
686	R	84.6	Confident	69.4	Low	92 Å²	92	75.3 Å²	75.3	35%	0.347	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-38.4	174.7	-67.4	-176.6	176.1	82	1.6	112.3	C511 S684 E690	C511-R686 HydrophobicContact CB-CG 4.3Å; S684-R686 PolarHBondContact O-N 3.45Å; R686-E690 PolarHBondContact O-N 3.28Å
687	W	85.4	Confident	71.9	Confident	90 Å²	90	70.3 Å²	70.3	34%	0.341	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-43.9	175.4	-170.1	101.5	0	0	0	110.8	N683 S684 W685 V689 E690 H691 V692	N683-W687 HydrophobicContact CB-CD2 4.24Å; N683-W687 HydrophobicContact CB-CE3 3.84Å; N683-W687 HydrophobicContact CB-CZ3 4.44Å; N683-W687 VanDerWaalsContact CG-CE3 3.48Å; N683-W687 WeakPolarHBondContact ND2-CZ3 3.23Å; S684-W687 WeakPolarHBondContact O-CA 3.45Å; S684-W687 VanDerWaalsContact O-CB 3.27Å; S684-W687 WeakPolarHBondContact O-CB 3.49Å; S684-W687 PolarHBondContact O-N 3.01Å; W685-W687 VanDerWaalsContact C-N 3.33Å; W685-W687 PolarHBondContact O-N 3.03Å; W687-V689 VanDerWaalsContact C-N 3.35Å; W687-V689 PolarHBondContact O-N 3.45Å; W687-E690 PolarHBondContact O-N 2.79Å; W687-H691 AromaticContact CD1-CE1 3.73Å; W687-H691 AromaticContact CD1-ND1 3.39Å; W687-H691 HydrophobicContact CD2-CB 4.01Å; W687-H691 AromaticContact CD2-ND1 3.77Å; W687-H691 AromaticContact CE2-CG 3.82Å; W687-H691 AromaticContact CE2-ND1 3.76Å; W687-H691 HydrophobicContact CE3-CB 4.17Å; W687-H691 AromaticContact CG-ND1 3.54Å; W687-H691 HydrophobicContact CH2-CB 4.06Å; W687-H691 HydrophobicContact CZ2-CB 3.89Å; W687-H691 HydrophobicContact CZ3-CB 4.21Å; W687-H691 AromaticContact NE1-CE1 3.9Å; W687-H691 AromaticContact NE1-CG 3.88Å; W687-H691 AromaticContact NE1-ND1 3.52Å; W687-H691 WeakPolarHBondContact O-CB 3.29Å; W687-H691 PolarHBondContact O-N 3.21Å; W687-H691 PolarHBondContact O-ND1 3.39Å; W687-V692 HydrophobicContact CE3-CG2 4.17Å; W687-V692 HydrophobicContact CH2-CG2 4.34Å; W687-V692 HydrophobicContact CZ3-CG2 3.53Å
688	N	85.1	Confident	74.5	Confident	27 Å²	27	66.9 Å²	66.9	14%	0.144	35%	0.349	C	S	.	.	I	π-helix	trans	-62.8	-40.7	176.9	-64.9	-18.6	0	0	0	111.6	N683 S684 W685 V692 L693	N683-N688 WeakPolarHBondContact CB-OD1 3.46Å; N683-N688 PolarHBondContact O-ND2 3.45Å; S684-N688 PolarHBondContact O-N 3.37Å; S684-N688 VanDerWaalsContact O-N 3.14Å; W685-N688 PolarHBondContact O-N 2.85Å; N688-V692 WeakPolarHBondContact O-CA 3.37Å; N688-V692 VanDerWaalsContact O-CB 3.32Å; N688-V692 WeakPolarHBondContact O-CB 3.41Å; N688-V692 PolarHBondContact O-N 2.88Å; N688-L693 PolarHBondContact O-N 3.32Å
689	V	87.8	Confident	76.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.343	C	S	.	.	I	π-helix	trans	-59.2	-56.2	172.4	170.4	0	0	0	0	110.7	F508 T530 I664 W685 W687 L693 F694	F508-V689 HydrophobicContact CE2-CG1 4.26Å; F508-V689 HydrophobicContact CZ-CG1 4.4Å; T530-V689 HydrophobicContact CG2-CG1 4.12Å; T530-V689 HydrophobicContact CG2-CG2 4.11Å; I664-V689 HydrophobicContact CD1-CG2 3.58Å; W685-V689 HydrophobicContact CE3-CG2 3.99Å; W685-V689 HydrophobicContact CZ3-CG2 4.33Å; W685-V689 WeakPolarHBondContact O-CG2 3.37Å; W685-V689 PolarHBondContact O-N 2.97Å; W687-V689 VanDerWaalsContact C-N 3.35Å; W687-V689 PolarHBondContact O-N 3.45Å; V689-L693 HydrophobicContact CG2-CD1 4.43Å; V689-L693 PolarHBondContact O-N 2.94Å; V689-F694 HydrophobicContact CG1-CD2 3.63Å; V689-F694 HydrophobicContact CG1-CE2 3.69Å; V689-F694 WeakPolarHBondContact O-CD2 3.31Å; V689-F694 PolarHBondContact O-N 3.19Å
690	E	87.9	Confident	78.7	Confident	40 Å²	40	61.6 Å²	61.6	19%	0.187	32%	0.323	C	S	.	.	I	π-helix	trans	-69	-51.5	-174.1	179.5	172	-154.3	0	0	113.6	K383 F508 R686 W687	K383-E690 WeakPolarHBondContact CE-OE1 3.48Å; K383-E690 IonicContact NZ-OE1 3.27Å; K383-E690 PolarHBondContact NZ-OE1 2.91Å; K383-E690 IonicContact NZ-OE2 3.53Å; K383-E690 PolarHBondContact NZ-OE2 3.49Å; F508-E690 HydrophobicContact CD1-CB 4.1Å; F508-E690 VanDerWaalsContact CD1-CD 3.44Å; F508-E690 HydrophobicContact CD1-CG 3.54Å; F508-E690 WeakPolarHBondContact CD1-OE1 3.42Å; F508-E690 HydrophobicContact CE1-CB 3.68Å; F508-E690 HydrophobicContact CE1-CG 3.64Å; F508-E690 HydrophobicContact CG-CG 4.1Å; F508-E690 HydrophobicContact CZ-CB 3.92Å; F508-E690 HydrophobicContact CZ-CG 4.29Å; R686-E690 PolarHBondContact O-N 3.28Å; W687-E690 PolarHBondContact O-N 2.79Å
691	H	85.8	Confident	81.3	Confident	75 Å²	75	55.5 Å²	55.5	35%	0.347	28%	0.282	S	S	.	.	I	π-helix	trans	-94.1	-17.3	-165.6	-57.2	90.4	0	0	0	113.7	W687 K695	W687-H691 AromaticContact CD1-CE1 3.73Å; W687-H691 AromaticContact CD1-ND1 3.39Å; W687-H691 HydrophobicContact CD2-CB 4.01Å; W687-H691 AromaticContact CD2-ND1 3.77Å; W687-H691 AromaticContact CE2-CG 3.82Å; W687-H691 AromaticContact CE2-ND1 3.76Å; W687-H691 HydrophobicContact CE3-CB 4.17Å; W687-H691 AromaticContact CG-ND1 3.54Å; W687-H691 HydrophobicContact CH2-CB 4.06Å; W687-H691 HydrophobicContact CZ2-CB 3.89Å; W687-H691 HydrophobicContact CZ3-CB 4.21Å; W687-H691 AromaticContact NE1-CE1 3.9Å; W687-H691 AromaticContact NE1-CG 3.88Å; W687-H691 AromaticContact NE1-ND1 3.52Å; W687-H691 WeakPolarHBondContact O-CB 3.29Å; W687-H691 PolarHBondContact O-N 3.21Å; W687-H691 PolarHBondContact O-ND1 3.39Å; H691-K695 VanDerWaalsContact O-CB 3.28Å; H691-K695 WeakPolarHBondContact O-CB 3.42Å
692	V	87.2	Confident	83.6	Confident	14 Å²	14	48.7 Å²	48.7	9%	0.085	25%	0.248	C	C	.	.	I	π-helix	trans	-110.8	-63.2	177.8	-167.2	0	0	0	0	110.7	L621 Y624 W687 N688 K695 A696	L621-V692 HydrophobicContact CB-CG1 4.39Å; L621-V692 HydrophobicContact CD1-CG1 4.28Å; Y624-V692 HydrophobicContact CD2-CG1 4.32Å; W687-V692 HydrophobicContact CE3-CG2 4.17Å; W687-V692 HydrophobicContact CH2-CG2 4.34Å; W687-V692 HydrophobicContact CZ3-CG2 3.53Å; N688-V692 WeakPolarHBondContact O-CA 3.37Å; N688-V692 VanDerWaalsContact O-CB 3.32Å; N688-V692 WeakPolarHBondContact O-CB 3.41Å; N688-V692 PolarHBondContact O-N 2.88Å; V692-K695 WeakPolarHBondContact O-CB 3.45Å; V692-K695 PolarHBondContact O-N 3.29Å; V692-A696 WeakPolarHBondContact O-CB 3.5Å; V692-A696 PolarHBondContact O-N 2.91Å
693	L	90.7	Very high	85.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-67.6	-51	-175.6	-65.1	179.1	0	0	0	112.8	T530 L537 F538 L621 Y624 I664 N688 V689 K695 A696 F697	T530-L693 HydrophobicContact CG2-CD1 4.35Å; L537-L693 HydrophobicContact CD2-CD2 4.26Å; F538-L693 HydrophobicContact CE2-CD2 4Å; F538-L693 HydrophobicContact CZ-CD2 3.74Å; L621-L693 HydrophobicContact CD1-CD2 4.09Å; Y624-L693 HydrophobicContact CD2-CD2 4.34Å; Y624-L693 HydrophobicContact CE2-CD1 4.34Å; Y624-L693 HydrophobicContact CE2-CD2 4Å; Y624-L693 HydrophobicContact CE2-CG 4.17Å; I664-L693 HydrophobicContact CD1-CD1 3.46Å; I664-L693 VanDerWaalsContact CD1-CD1 3.46Å; I664-L693 HydrophobicContact CG1-CD1 3.98Å; N688-L693 PolarHBondContact O-N 3.32Å; V689-L693 HydrophobicContact CG2-CD1 4.43Å; V689-L693 PolarHBondContact O-N 2.94Å; L693-K695 PolarHBondContact O-N 3.45Å; L693-A696 PolarHBondContact O-N 2.96Å; L693-A696 VanDerWaalsContact O-N 3.1Å; L693-F697 HydrophobicContact CB-CE2 4.26Å; L693-F697 HydrophobicContact CB-CZ 4.32Å; L693-F697 WeakPolarHBondContact O-CD2 3.42Å; L693-F697 VanDerWaalsContact O-CG 3.27Å; L693-F697 WeakPolarHBondContact O-CG 3.32Å; L693-F697 PolarHBondContact O-N 3.35Å
694	F	90.3	Very high	87.4	Confident	3 Å²	3	43 Å²	43	1%	0.013	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-22.6	177.2	-87.3	-79.6	0	0	0	113.1	H506 F508 I519 L528 V689 F697	H506-F694 AromaticContact CE1-CD1 3.69Å; H506-F694 PolarHBondContact CE1-O 3.5Å; H506-F694 VanDerWaalsContact CE1-O 3.32Å; H506-F694 AromaticContact NE2-CD1 3.46Å; H506-F694 WeakPolarHBondContact NE2-CD1 3.31Å; F508-F694 HydrophobicContact CD2-CB 4.22Å; F508-F694 HydrophobicContact CD2-CD1 4.11Å; F508-F694 AromaticContact CD2-CD2 3.69Å; F508-F694 HydrophobicContact CD2-CD2 3.69Å; F508-F694 HydrophobicContact CD2-CE1 4.48Å; F508-F694 HydrophobicContact CD2-CE2 4.08Å; F508-F694 AromaticContact CD2-CG 3.72Å; F508-F694 HydrophobicContact CD2-CG 3.72Å; F508-F694 HydrophobicContact CD2-CZ 4.46Å; F508-F694 AromaticContact CE2-CD2 3.48Å; F508-F694 HydrophobicContact CE2-CD2 3.48Å; F508-F694 VanDerWaalsContact CE2-CD2 3.48Å; F508-F694 AromaticContact CE2-CE2 3.68Å; F508-F694 HydrophobicContact CE2-CE2 3.68Å; F508-F694 HydrophobicContact CE2-CG 4.02Å; F508-F694 HydrophobicContact CE2-CZ 4.37Å; I519-F694 HydrophobicContact CG2-CD1 4.08Å; I519-F694 HydrophobicContact CG2-CE1 3.53Å; I519-F694 HydrophobicContact CG2-CZ 4.13Å; L528-F694 HydrophobicContact CD1-CE1 3.58Å; L528-F694 HydrophobicContact CD1-CZ 3.79Å; V689-F694 HydrophobicContact CG1-CD2 3.63Å; V689-F694 HydrophobicContact CG1-CE2 3.69Å; V689-F694 WeakPolarHBondContact O-CD2 3.31Å; V689-F694 PolarHBondContact O-N 3.19Å; F694-F697 HydrophobicContact CB-CD2 4.42Å; F694-F697 AromaticContact CD1-CD2 3.62Å; F694-F697 HydrophobicContact CD1-CD2 3.62Å; F694-F697 HydrophobicContact CD1-CE2 4.23Å; F694-F697 HydrophobicContact CD2-CD2 4.3Å; F694-F697 HydrophobicContact CD2-CE2 4.21Å; F694-F697 AromaticContact CE1-CD2 3.79Å; F694-F697 HydrophobicContact CE1-CD2 3.79Å; F694-F697 HydrophobicContact CE1-CE2 4.12Å; F694-F697 HydrophobicContact CE2-CD2 4.46Å; F694-F697 HydrophobicContact CE2-CE2 4.12Å; F694-F697 AromaticContact CG-CD2 3.88Å; F694-F697 HydrophobicContact CG-CD2 3.88Å; F694-F697 HydrophobicContact CG-CE2 4.27Å; F694-F697 HydrophobicContact CZ-CD2 4.22Å; F694-F697 HydrophobicContact CZ-CE2 4.07Å
695	K	88.7	Confident	88.2	Confident	142 Å²	142	44.7 Å²	44.7	62%	0.617	21%	0.207	S	C	*	.	H	α-helix	trans	-67.7	-49.4	166	-172.6	-170	174.1	-161.1	0	110.9	H691 V692 L693 F697 R698	H691-K695 VanDerWaalsContact O-CB 3.28Å; H691-K695 WeakPolarHBondContact O-CB 3.42Å; V692-K695 WeakPolarHBondContact O-CB 3.45Å; V692-K695 PolarHBondContact O-N 3.29Å; L693-K695 PolarHBondContact O-N 3.45Å; K695-F697 PolarHBondContact O-N 3.3Å; K695-R698 WeakPolarHBondContact O-CB 3.24Å; K695-R698 PolarHBondContact O-N 2.89Å; K695-R698 VanDerWaalsContact O-N 3.11Å
696	A	88.8	Confident	88.5	Confident	6 Å²	6	45.8 Å²	45.8	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-36.1	178.9	0	0	0	0	0	113.1	L537 L621 V692 L693 R698 T699 L700	L537-A696 HydrophobicContact CD1-CB 4.45Å; L537-A696 HydrophobicContact CD2-CB 3.73Å; L621-A696 HydrophobicContact CD1-CB 4.07Å; L621-A696 HydrophobicContact CD2-CB 3.97Å; V692-A696 WeakPolarHBondContact O-CB 3.5Å; V692-A696 PolarHBondContact O-N 2.91Å; L693-A696 PolarHBondContact O-N 2.96Å; L693-A696 VanDerWaalsContact O-N 3.1Å; A696-R698 PolarHBondContact O-N 3.28Å; A696-R698 VanDerWaalsContact O-N 3.07Å; A696-T699 PolarHBondContact O-N 2.84Å; A696-T699 PolarHBondContact O-OG1 2.96Å; A696-L700 HydrophobicContact CB-CD1 4.41Å; A696-L700 PolarHBondContact O-N 2.83Å
697	F	90.9	Very high	88.8	Confident	1 Å²	1	42 Å²	42	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.4	173.4	-64	-33.8	0	0	0	113.9	L533 L537 L693 F694 K695 F701	L533-F697 HydrophobicContact CB-CE1 3.93Å; L533-F697 HydrophobicContact CB-CE2 4.24Å; L533-F697 HydrophobicContact CB-CZ 3.59Å; L533-F697 WeakPolarHBondContact O-CE1 3.31Å; L537-F697 HydrophobicContact CB-CD1 4.21Å; L537-F697 HydrophobicContact CB-CE1 3.8Å; L537-F697 HydrophobicContact CD2-CD1 3.77Å; L537-F697 HydrophobicContact CD2-CE1 3.65Å; L537-F697 HydrophobicContact CG-CD1 4.43Å; L537-F697 HydrophobicContact CG-CE1 4.31Å; L693-F697 HydrophobicContact CB-CE2 4.26Å; L693-F697 HydrophobicContact CB-CZ 4.32Å; L693-F697 WeakPolarHBondContact O-CD2 3.42Å; L693-F697 VanDerWaalsContact O-CG 3.27Å; L693-F697 WeakPolarHBondContact O-CG 3.32Å; L693-F697 PolarHBondContact O-N 3.35Å; F694-F697 HydrophobicContact CB-CD2 4.42Å; F694-F697 AromaticContact CD1-CD2 3.62Å; F694-F697 HydrophobicContact CD1-CD2 3.62Å; F694-F697 HydrophobicContact CD1-CE2 4.23Å; F694-F697 HydrophobicContact CD2-CD2 4.3Å; F694-F697 HydrophobicContact CD2-CE2 4.21Å; F694-F697 AromaticContact CE1-CD2 3.79Å; F694-F697 HydrophobicContact CE1-CD2 3.79Å; F694-F697 HydrophobicContact CE1-CE2 4.12Å; F694-F697 HydrophobicContact CE2-CD2 4.46Å; F694-F697 HydrophobicContact CE2-CE2 4.12Å; F694-F697 AromaticContact CG-CD2 3.88Å; F694-F697 HydrophobicContact CG-CD2 3.88Å; F694-F697 HydrophobicContact CG-CE2 4.27Å; F694-F697 HydrophobicContact CZ-CD2 4.22Å; F694-F697 HydrophobicContact CZ-CE2 4.07Å; K695-F697 PolarHBondContact O-N 3.3Å; F697-F701 HydrophobicContact CD1-CB 4.23Å; F697-F701 HydrophobicContact CD1-CD1 4.04Å; F697-F701 HydrophobicContact CD1-CD2 4.43Å; F697-F701 AromaticContact CD1-CG 3.98Å; F697-F701 HydrophobicContact CD1-CG 3.98Å
698	R	88.3	Confident	88.7	Confident	108 Å²	108	40.3 Å²	40.3	41%	0.408	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.2	175.1	-67	177.8	172.4	162.8	-1.8	114.3	L503 H506 K695 A696	L503-R698 WeakPolarHBondContact O-CG 3.44Å; H506-R698 PolarHBondContact CE1-NE 3.5Å; H506-R698 VanDerWaalsContact CE1-NE 3.27Å; H506-R698 PolarHBondContact O-NH2 2.6Å; K695-R698 WeakPolarHBondContact O-CB 3.24Å; K695-R698 PolarHBondContact O-N 2.89Å; K695-R698 VanDerWaalsContact O-N 3.11Å; A696-R698 PolarHBondContact O-N 3.28Å; A696-R698 VanDerWaalsContact O-N 3.07Å
699	T	86.3	Confident	88.6	Confident	109 Å²	109	47.3 Å²	47.3	67%	0.669	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-32.8	-168	51.8	0	0	0	0	114.1	A696	A696-T699 PolarHBondContact O-N 2.84Å; A696-T699 PolarHBondContact O-OG1 2.96Å
700	L	86.6	Confident	88.3	Confident	62 Å²	62	51.3 Å²	51.3	33%	0.325	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	0.7	-169.9	-60.1	175.6	0	0	0	113.9	A470 L537 I541 L621 A696	A470-L700 HydrophobicContact CB-CD1 3.66Å; L537-L700 HydrophobicContact CD1-CB 4.01Å; I541-L700 HydrophobicContact CD1-CD1 4.33Å; L621-L700 HydrophobicContact CD2-CD1 3.9Å; A696-L700 HydrophobicContact CB-CD1 4.41Å; A696-L700 PolarHBondContact O-N 2.83Å
701	F	91.5	Very high	88.1	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.026	26%	0.262	C	S	.	.			trans	-114	133	-165.7	-168.3	-121.7	0	0	0	114.6	L503 L533 E536 L537 F697 P703 F707	L503-F701 HydrophobicContact CD1-CD1 3.55Å; L503-F701 HydrophobicContact CD1-CE1 3.52Å; L533-F701 HydrophobicContact CD2-CE1 3.65Å; L533-F701 HydrophobicContact CD2-CZ 3.81Å; E536-F701 HydrophobicContact CB-CE2 3.86Å; E536-F701 HydrophobicContact CB-CZ 4.15Å; E536-F701 HydrophobicContact CG-CE2 3.72Å; E536-F701 HydrophobicContact CG-CZ 4.05Å; L537-F701 HydrophobicContact CB-CD2 3.79Å; L537-F701 HydrophobicContact CB-CE2 4.09Å; L537-F701 HydrophobicContact CD1-CB 4.15Å; L537-F701 HydrophobicContact CD1-CD2 4.13Å; F697-F701 HydrophobicContact CD1-CB 4.23Å; F697-F701 HydrophobicContact CD1-CD1 4.04Å; F697-F701 HydrophobicContact CD1-CD2 4.43Å; F697-F701 AromaticContact CD1-CG 3.98Å; F697-F701 HydrophobicContact CD1-CG 3.98Å; F701-P703 HydrophobicContact CD1-CB 4.37Å; F701-P703 HydrophobicContact CD1-CG 4.46Å; F701-P703 HydrophobicContact CE1-CB 3.69Å; F701-P703 HydrophobicContact CE1-CG 4.25Å; F701-P703 HydrophobicContact CZ-CB 4.2Å; F701-F707 HydrophobicContact CZ-CE2 4.14Å
702	S	91.4	Very high	88.3	Confident	24 Å²	24	47 Å²	47	17%	0.168	25%	0.246	C	C	.	.			trans	-125.8	85.6	-179.7	-64.5	0	0	0	0	109.6	T495 Q500 Q540	T495-S702 WeakPolarHBondContact OG1-CB 3.3Å; Q500-S702 PolarHBondContact NE2-OG 3.4Å; Q500-S702 VanDerWaalsContact NE2-OG 3.1Å; Q540-S702 PolarHBondContact NE2-O 2.94Å; Q540-S702 PolarHBondContact OE1-O 3.38Å
703	P	90.6	Very high	88.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.247	C	C	.	.			trans	-61.2	129.7	-171.8	20.4	-32.3	0	0	0	113.1	H496 L499 Q500 L503 F701 F707	H496-P703 PolarHBondContact N-O 3.44Å; L499-P703 HydrophobicContact CB-CB 3.97Å; L499-P703 HydrophobicContact CB-CG 3.54Å; L499-P703 HydrophobicContact CD1-CB 4.45Å; Q500-P703 HydrophobicContact CB-CG 4.08Å; Q500-P703 VanDerWaalsContact N-CG 3.33Å; L503-P703 HydrophobicContact CD1-CB 4.36Å; L503-P703 HydrophobicContact CD1-CG 4.18Å; F701-P703 HydrophobicContact CD1-CB 4.37Å; F701-P703 HydrophobicContact CD1-CG 4.46Å; F701-P703 HydrophobicContact CE1-CB 3.69Å; F701-P703 HydrophobicContact CE1-CG 4.25Å; F701-P703 HydrophobicContact CZ-CB 4.2Å; P703-F707 HydrophobicContact CB-CD2 4.45Å
704	P	91.7	Very high	88.4	Confident	8 Å²	8	51 Å²	51	5%	0.052	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-58.7	153.2	172.8	-28.6	36.7	0	0	0	114.8	N494 E536 S706 F707	N494-P704 CarbonylContact O-C 3.52Å; N494-P704 WeakPolarHBondContact O-CA 3.5Å; E536-P704 HydrophobicContact CG-CG 3.82Å; P704-S706 PolarHBondContact O-N 3.04Å; P704-F707 HydrophobicContact CG-CE1 4.44Å; P704-F707 HydrophobicContact CG-CE2 4.33Å; P704-F707 HydrophobicContact CG-CZ 4.21Å; P704-F707 PolarHBondContact O-N 2.91Å; P704-F707 VanDerWaalsContact O-N 3.13Å
705	K	90.1	Very high	88.2	Confident	100 Å²	100	55.2 Å²	55.2	44%	0.435	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-59.2	-27.4	174.1	-73.3	154.1	-180	172.1	0	114.3	E493 N494 H496 F707 S708	E493-K705 WeakPolarHBondContact O-CE 3.3Å; E493-K705 PolarHBondContact O-NZ 3.38Å; N494-K705 VanDerWaalsContact O-CG 3.3Å; N494-K705 WeakPolarHBondContact O-CG 3.43Å; N494-K705 PolarHBondContact O-N 3.2Å; H496-K705 HydrophobicContact CB-CG 4.1Å; K705-F707 PolarHBondContact O-N 2.8Å; K705-S708 PolarHBondContact O-OG 3.36Å
706	S	89.3	Confident	88.1	Confident	54 Å²	54	53.1 Å²	53.1	38%	0.378	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-63.3	-27.4	175.5	48	0	0	0	0	113.3	P704 S708 E709 D710	P704-S706 PolarHBondContact O-N 3.04Å; S706-S708 PolarHBondContact O-N 2.85Å; S706-S708 VanDerWaalsContact O-N 3.16Å; S706-E709 PolarHBondContact O-N 2.75Å; S706-D710 PolarHBondContact O-N 2.84Å
707	F	90.1	Very high	87.8	Confident	11 Å²	11	54 Å²	54	5%	0.048	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-72.7	-8.9	-172.1	-69.6	2.8	0	0	0	114.3	L499 T532 L533 E536 F701 P703 P704 K705 D710 T712 V713	L499-F707 HydrophobicContact CD1-CB 4.07Å; T532-F707 HydrophobicContact CG2-CE1 3.74Å; T532-F707 HydrophobicContact CG2-CE2 4.29Å; T532-F707 HydrophobicContact CG2-CZ 3.61Å; L533-F707 HydrophobicContact CD2-CD2 3.77Å; L533-F707 HydrophobicContact CD2-CE2 3.94Å; E536-F707 HydrophobicContact CB-CE2 3.84Å; E536-F707 HydrophobicContact CB-CZ 3.79Å; E536-F707 HydrophobicContact CG-CE2 3.86Å; E536-F707 HydrophobicContact CG-CZ 3.87Å; F701-F707 HydrophobicContact CZ-CE2 4.14Å; P703-F707 HydrophobicContact CB-CD2 4.45Å; P704-F707 HydrophobicContact CG-CE1 4.44Å; P704-F707 HydrophobicContact CG-CE2 4.33Å; P704-F707 HydrophobicContact CG-CZ 4.21Å; P704-F707 PolarHBondContact O-N 2.91Å; P704-F707 VanDerWaalsContact O-N 3.13Å; K705-F707 PolarHBondContact O-N 2.8Å; F707-D710 WeakPolarHBondContact CA-OD1 3.31Å; F707-D710 WeakPolarHBondContact CD1-OD2 3.38Å; F707-T712 HydrophobicContact CB-CG2 4.09Å; F707-T712 HydrophobicContact CD1-CG2 4.2Å; F707-T712 HydrophobicContact CD2-CG2 3.75Å; F707-T712 HydrophobicContact CE2-CG2 4.2Å; F707-T712 HydrophobicContact CG-CG2 3.76Å; F707-V713 HydrophobicContact CB-CG2 4.45Å; F707-V713 WeakPolarHBondContact O-CB 3.49Å; F707-V713 WeakPolarHBondContact O-CG2 3.22Å; F707-V713 PolarHBondContact O-N 2.84Å
708	S	83	Confident	87.4	Confident	56 Å²	56	55.3 Å²	55.3	39%	0.392	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-86.2	-11.1	167.7	37.5	0	0	0	0	114.2	K705 S706	K705-S708 PolarHBondContact O-OG 3.36Å; S706-S708 PolarHBondContact O-N 2.85Å; S706-S708 VanDerWaalsContact O-N 3.16Å
709	E	82.6	Confident	86.7	Confident	174 Å²	174	52.5 Å²	52.5	81%	0.813	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-28.9	-172	-60.7	-173.6	175.3	0	0	113.2	S706 G711	S706-E709 PolarHBondContact O-N 2.75Å; E709-G711 VanDerWaalsContact C-N 3.35Å; E709-G711 PolarHBondContact O-N 2.86Å
710	D	82.7	Confident	86	Confident	83 Å²	83	48.9 Å²	48.9	44%	0.444	27%	0.267	S	S	.	.	S	Bend	trans	-81.2	-6.6	-177.2	72.1	-7.3	0	0	0	115.1	S706 F707 T712	S706-D710 PolarHBondContact O-N 2.84Å; F707-D710 WeakPolarHBondContact CA-OD1 3.31Å; F707-D710 WeakPolarHBondContact CD1-OD2 3.38Å; D710-T712 VanDerWaalsContact CG-OG1 3.23Å; D710-T712 WeakPolarHBondContact OD1-CB 3.42Å; D710-T712 PolarHBondContact OD1-N 3.38Å; D710-T712 PolarHBondContact OD1-OG1 3.43Å; D710-T712 PolarHBondContact OD2-OG1 3.44Å
711	G	84.1	Confident	85.3	Confident	21 Å²	21	49.3 Å²	49.3	22%	0.216	27%	0.27	C	S	.	.	S	Bend	trans	85	9.5	-175.6	0	0	0	0	0	115.4	E709 V713 L714	E709-G711 VanDerWaalsContact C-N 3.35Å; E709-G711 PolarHBondContact O-N 2.86Å; G711-V713 VanDerWaalsContact C-N 3.27Å; G711-V713 PolarHBondContact O-N 2.79Å; G711-L714 WeakPolarHBondContact O-CD1 3.48Å; G711-L714 WeakPolarHBondContact O-CG 3.43Å
712	T	89	Confident	84.1	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.018	29%	0.288	C	S	.	.	S	Bend	trans	-64.9	-31.8	170.7	-67.7	0	0	0	0	111.7	L528 N529 T532 L533 F707 D710	L528-T712 WeakPolarHBondContact CA-O 3.3Å; N529-T712 HydrophobicContact CB-CG2 4.28Å; N529-T712 PolarHBondContact N-O 3.39Å; T532-T712 HydrophobicContact CG2-CG2 4.05Å; T532-T712 WeakPolarHBondContact CG2-OG1 3.09Å; L533-T712 HydrophobicContact CD1-CG2 4.49Å; L533-T712 HydrophobicContact CD2-CG2 3.87Å; L533-T712 HydrophobicContact CG-CG2 3.82Å; F707-T712 HydrophobicContact CB-CG2 4.09Å; F707-T712 HydrophobicContact CD1-CG2 4.2Å; F707-T712 HydrophobicContact CD2-CG2 3.75Å; F707-T712 HydrophobicContact CE2-CG2 4.2Å; F707-T712 HydrophobicContact CG-CG2 3.76Å; D710-T712 VanDerWaalsContact CG-OG1 3.23Å; D710-T712 WeakPolarHBondContact OD1-CB 3.42Å; D710-T712 PolarHBondContact OD1-N 3.38Å; D710-T712 PolarHBondContact OD1-OG1 3.43Å; D710-T712 PolarHBondContact OD2-OG1 3.44Å
713	V	90.5	Very high	82.6	Confident	19 Å²	19	55.5 Å²	55.5	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.9	173.2	-176.8	0	0	0	0	110.4	L499 M502 Y526 L528 F707 G711	L499-V713 HydrophobicContact CD1-CG2 4.36Å; L499-V713 HydrophobicContact CD2-CB 4.36Å; L499-V713 HydrophobicContact CD2-CG1 4.05Å; L499-V713 HydrophobicContact CD2-CG2 4.19Å; M502-V713 HydrophobicContact CE-CG1 3.79Å; M502-V713 HydrophobicContact CE-CG2 4.38Å; M502-V713 HydrophobicContact SD-CG1 4.16Å; Y526-V713 HydrophobicContact CD1-CG1 4Å; L528-V713 HydrophobicContact CD2-CB 4.14Å; L528-V713 HydrophobicContact CD2-CG1 3.87Å; L528-V713 HydrophobicContact CD2-CG2 3.78Å; F707-V713 HydrophobicContact CB-CG2 4.45Å; F707-V713 WeakPolarHBondContact O-CB 3.49Å; F707-V713 WeakPolarHBondContact O-CG2 3.22Å; F707-V713 PolarHBondContact O-N 2.84Å; G711-V713 VanDerWaalsContact C-N 3.27Å; G711-V713 PolarHBondContact O-N 2.79Å
714	L	89.1	Confident	81.2	Confident	81 Å²	81	60.7 Å²	60.7	42%	0.424	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.5	-177.2	-69.6	169	0	0	0	111.7	W516 Y526 L527 G711 I716	W516-L714 HydrophobicContact CH2-CD1 4.37Å; W516-L714 HydrophobicContact CZ3-CD1 4.35Å; Y526-L714 CarbonylContact C-O 3.6Å; Y526-L714 VanDerWaalsContact CA-O 3.28Å; Y526-L714 WeakPolarHBondContact CA-O 3.37Å; L527-L714 HydrophobicContact CB-CB 4.28Å; L527-L714 PolarHBondContact N-O 2.93Å; L527-L714 PolarHBondContact O-N 3.16Å; G711-L714 WeakPolarHBondContact O-CD1 3.48Å; G711-L714 WeakPolarHBondContact O-CG 3.43Å; L714-I716 PolarHBondContact O-N 3.02Å
715	Q	87.8	Confident	79.6	Confident	91 Å²	91	64.3 Å²	64.3	43%	0.425	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	102.1	175.2	-168.6	-157.3	-78.9	0	0	110.6	K524 Y526	K524-Q715 HydrophobicContact CB-CG 4.33Å; K524-Q715 HydrophobicContact CD-CG 4.32Å; K524-Q715 VanDerWaalsContact CD-OE1 3.23Å; K524-Q715 HydrophobicContact CG-CG 4.45Å; Y526-Q715 HydrophobicContact CD1-CB 3.87Å; Y526-Q715 HydrophobicContact CD1-CG 4.2Å; Y526-Q715 HydrophobicContact CE1-CB 3.84Å; Y526-Q715 HydrophobicContact CE1-CG 3.94Å
716	I	86	Confident	77.7	Confident	97 Å²	97	66.6 Å²	66.6	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-46.7	179.2	-52.9	177.4	0	0	0	111	L518 L525 L527 L714	L518-I716 HydrophobicContact CD2-CD1 3.35Å; L525-I716 HydrophobicContact CD2-CD1 4.35Å; L525-I716 PolarHBondContact O-N 3.28Å; L527-I716 HydrophobicContact CB-CD1 3.91Å; L527-I716 HydrophobicContact CB-CG1 3.97Å; L527-I716 HydrophobicContact CD1-CD1 4.2Å; L714-I716 PolarHBondContact O-N 3.02Å
717	A	81.6	Confident	75.9	Confident	25 Å²	25	70.6 Å²	70.6	21%	0.207	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.8	-167.1	0	0	0	0	0	112.8	K524 L525 L722	K524-A717 WeakPolarHBondContact CA-O 3.45Å; L525-A717 HydrophobicContact CB-CB 4.3Å; L525-A717 PolarHBondContact N-O 3.1Å; L525-A717 PolarHBondContact O-N 3.03Å; A717-L722 HydrophobicContact CB-CD1 3.98Å
718	N	83.8	Confident	73.9	Confident	28 Å²	28	80.5 Å²	80.5	15%	0.15	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.6	172.3	-173.7	35.1	0	0	0	108.9	T523 K524 D721 L722	T523-N718 PolarHBondContact O-OD1 3.1Å; T523-N718 PolarHBondContact OG1-OD1 2.79Å; K524-N718 HydrophobicContact CG-CB 4.34Å; K524-N718 WeakPolarHBondContact CG-OD1 3.33Å; N718-D721 HydrophobicContact CB-CB 4.46Å; N718-D721 PolarHBondContact ND2-OD2 3.22Å; N718-D721 PolarHBondContact O-N 2.92Å; N718-L722 PolarHBondContact O-N 3.09Å
719	L	73	Confident	71.9	Confident	49 Å²	49	85.2 Å²	85.2	26%	0.257	43%	0.431	S	S	.	.	H	α-helix	trans	-64.6	-38.6	-168.3	-158.3	133.3	0	0	0	113.5	H372 T523 D721 L722 Y723	H372-L719 VanDerWaalsContact C-CD2 3.48Å; H372-L719 WeakPolarHBondContact O-CD2 3.47Å; T523-L719 WeakPolarHBondContact O-CB 3.41Å; T523-L719 PolarHBondContact O-N 3.04Å; L719-D721 VanDerWaalsContact C-N 3.31Å; L719-D721 PolarHBondContact O-N 2.87Å; L719-L722 PolarHBondContact O-N 3.19Å; L719-Y723 WeakPolarHBondContact O-CB 3.43Å; L719-Y723 PolarHBondContact O-N 2.93Å
720	P	71.9	Confident	71.3	Confident	33 Å²	33	80.8 Å²	80.8	21%	0.214	41%	0.412	C	S	.	.	H	α-helix	trans	-57.3	-34.7	167.8	-30.2	35.5	0	0	0	115.4	T523 Y723 K724	T523-P720 HydrophobicContact CG2-CG 4.35Å; P720-Y723 PolarHBondContact O-N 2.92Å; P720-K724 VanDerWaalsContact O-CG 3.31Å; P720-K724 WeakPolarHBondContact O-CG 3.25Å; P720-K724 PolarHBondContact O-N 3.23Å; P720-K724 VanDerWaalsContact O-N 3.1Å
721	D	71.4	Confident	70.7	Confident	71 Å²	71	80.6 Å²	80.6	38%	0.38	41%	0.41	S	S	.	.	H	α-helix	trans	-83.6	-34.2	-177.5	-61.4	-47.3	0	0	0	111.7	N718 L719 Y723 K724 V725	N718-D721 HydrophobicContact CB-CB 4.46Å; N718-D721 PolarHBondContact ND2-OD2 3.22Å; N718-D721 PolarHBondContact O-N 2.92Å; L719-D721 VanDerWaalsContact C-N 3.31Å; L719-D721 PolarHBondContact O-N 2.87Å; D721-Y723 VanDerWaalsContact C-N 3.31Å; D721-K724 PolarHBondContact O-N 3.02Å; D721-K724 IonicContact OD1-NZ 2.69Å; D721-K724 PolarHBondContact OD1-NZ 3.41Å; D721-V725 WeakPolarHBondContact O-CG2 3.2Å; D721-V725 PolarHBondContact O-N 3.23Å
722	L	66.8	Low	70	Confident	80 Å²	80	83.9 Å²	83.9	42%	0.419	42%	0.421	S	S	.	.	H	α-helix	trans	-56.8	-45.8	163.1	-78.9	167.6	0	0	0	111	A717 N718 L719 K724 V725 F726	A717-L722 HydrophobicContact CB-CD1 3.98Å; N718-L722 PolarHBondContact O-N 3.09Å; L719-L722 PolarHBondContact O-N 3.19Å; L722-K724 PolarHBondContact O-N 2.82Å; L722-V725 WeakPolarHBondContact O-CA 3.35Å; L722-V725 WeakPolarHBondContact O-CB 3.45Å; L722-V725 PolarHBondContact O-N 2.87Å; L722-F726 HydrophobicContact CB-CD2 4.47Å; L722-F726 HydrophobicContact CB-CE2 4.41Å; L722-F726 HydrophobicContact CD2-CE2 4.34Å; L722-F726 WeakPolarHBondContact O-CD2 2.93Å; L722-F726 PolarHBondContact O-N 2.98Å
723	Y	59.2	Low	68.9	Low	81 Å²	81	88.7 Å²	88.7	32%	0.318	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-41.1	-179.4	-155	-92	0	0	0	112.1	A371 H372 L719 P720 D721 V725 F726 E727	A371-Y723 HydrophobicContact CB-CE2 3.92Å; H372-Y723 HydrophobicContact CB-CD1 3.91Å; H372-Y723 HydrophobicContact CB-CD2 3.66Å; H372-Y723 HydrophobicContact CB-CE1 4.37Å; H372-Y723 HydrophobicContact CB-CE2 4.15Å; H372-Y723 HydrophobicContact CB-CG 3.52Å; L719-Y723 WeakPolarHBondContact O-CB 3.43Å; L719-Y723 PolarHBondContact O-N 2.93Å; P720-Y723 PolarHBondContact O-N 2.92Å; D721-Y723 VanDerWaalsContact C-N 3.31Å; Y723-V725 PolarHBondContact O-N 2.89Å; Y723-F726 CarbonylContact O-C 3.57Å; Y723-F726 PolarHBondContact O-N 3.5Å; Y723-F726 VanDerWaalsContact O-N 3.16Å; Y723-E727 HydrophobicContact CD1-CG 3.85Å; Y723-E727 HydrophobicContact CE1-CG 3.77Å; Y723-E727 WeakPolarHBondContact CE1-OE1 3.48Å; Y723-E727 PolarHBondContact O-N 3.26Å
724	K	60.7	Low	67.5	Low	109 Å²	109	93.1 Å²	93.1	47%	0.474	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-25.7	171.9	-68.7	166	-159.8	162.6	0	113.9	P720 D721 L722 R728	P720-K724 VanDerWaalsContact O-CG 3.31Å; P720-K724 WeakPolarHBondContact O-CG 3.25Å; P720-K724 PolarHBondContact O-N 3.23Å; P720-K724 VanDerWaalsContact O-N 3.1Å; D721-K724 PolarHBondContact O-N 3.02Å; D721-K724 IonicContact OD1-NZ 2.69Å; D721-K724 PolarHBondContact OD1-NZ 3.41Å; L722-K724 PolarHBondContact O-N 2.82Å; K724-R728 VanDerWaalsContact O-CD 3.25Å; K724-R728 WeakPolarHBondContact O-CD 3.45Å; K724-R728 WeakPolarHBondContact O-CG 3.28Å
725	V	58	Low	66.1	Low	85 Å²	85	93.9 Å²	93.9	52%	0.515	47%	0.468	S	S	.	.	H	α-helix	trans	-77.8	-44.8	172.4	172.5	0	0	0	0	109.9	D721 L722 Y723 E727 R728 C729	D721-V725 WeakPolarHBondContact O-CG2 3.2Å; D721-V725 PolarHBondContact O-N 3.23Å; L722-V725 WeakPolarHBondContact O-CA 3.35Å; L722-V725 WeakPolarHBondContact O-CB 3.45Å; L722-V725 PolarHBondContact O-N 2.87Å; Y723-V725 PolarHBondContact O-N 2.89Å; V725-E727 PolarHBondContact O-N 3.33Å; V725-R728 PolarHBondContact O-N 3.17Å; V725-C729 PolarHBondContact O-N 2.84Å; V725-C729 PolarHBondContact O-SG 3.25Å; V725-C729 VanDerWaalsContact O-SG 3.38Å
726	F	51.6	Low	64.5	Low	147 Å²	147	94.1 Å²	94.1	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-67.3	-28	177.3	-73.2	-64.3	0	0	0	114.2	L722 Y723 R728	L722-F726 HydrophobicContact CB-CD2 4.47Å; L722-F726 HydrophobicContact CB-CE2 4.41Å; L722-F726 HydrophobicContact CD2-CE2 4.34Å; L722-F726 WeakPolarHBondContact O-CD2 2.93Å; L722-F726 PolarHBondContact O-N 2.98Å; Y723-F726 CarbonylContact O-C 3.57Å; Y723-F726 PolarHBondContact O-N 3.5Å; Y723-F726 VanDerWaalsContact O-N 3.16Å; F726-R728 PolarHBondContact O-N 3.48Å
727	E	51.9	Low	62.9	Low	139 Å²	139	93.8 Å²	93.8	65%	0.65	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-7	169.9	-73.6	-173.1	141.2	0	0	113.7	Y723 V725	Y723-E727 HydrophobicContact CD1-CG 3.85Å; Y723-E727 HydrophobicContact CE1-CG 3.77Å; Y723-E727 WeakPolarHBondContact CE1-OE1 3.48Å; Y723-E727 PolarHBondContact O-N 3.26Å; V725-E727 PolarHBondContact O-N 3.33Å
728	R	47.3	Very low	61.3	Low	218 Å²	218	99.6 Å²	99.6	82%	0.823	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	4.9	178.6	-71.6	176.8	177.4	-172.5	-1.9	113.3	K724 V725 F726	K724-R728 VanDerWaalsContact O-CD 3.25Å; K724-R728 WeakPolarHBondContact O-CD 3.45Å; K724-R728 WeakPolarHBondContact O-CG 3.28Å; V725-R728 PolarHBondContact O-N 3.17Å; F726-R728 PolarHBondContact O-N 3.48Å
729	C	40	Very low	59.3	Low	155 Å²	155	106.1 Å²	106.1	100%	1.047	52%	0.522	S	S	*	.			trans	-116	0	180	-69.5	0	0	0	0	111.4	V725	V725-C729 PolarHBondContact O-N 2.84Å; V725-C729 PolarHBondContact O-SG 3.25Å; V725-C729 VanDerWaalsContact O-SG 3.38Å

Retrieved 729 of 729 residues in 213.7 ms (Link to these results)

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