A0A3Q0KKF3_SCHMA Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 294 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	45.9	Very low	56.9	Low	201 Å²	201	167.5 Å²	167.5	99%	0.99	83%	0.825	S	S	*	*				0	113.2	0	-176.8	170.1	179.4	0	0	106.4	F3	M1-F3 HydrophobicContact CE-CE1 3.91Å; M1-F3 HydrophobicContact CE-CZ 3.89Å; M1-F3 HydrophobicContact CG-CE2 4.36Å; M1-F3 HydrophobicContact CG-CZ 4.29Å; M1-F3 HydrophobicContact SD-CZ 4.09Å
2	Y	47.7	Very low	57.2	Low	237 Å²	237	162.2 Å²	162.2	93%	0.929	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-92.3	132.2	176.8	-76.9	-88.7	0	0	0	108.6
3	F	55.3	Low	58	Low	161 Å²	161	156.5 Å²	156.5	71%	0.706	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-96.4	122.8	169.5	-65.3	-85.8	0	0	0	107.9	M1 I5	M1-F3 HydrophobicContact CE-CE1 3.91Å; M1-F3 HydrophobicContact CE-CZ 3.89Å; M1-F3 HydrophobicContact CG-CE2 4.36Å; M1-F3 HydrophobicContact CG-CZ 4.29Å; M1-F3 HydrophobicContact SD-CZ 4.09Å; F3-I5 PolarHBondContact O-N 3.01Å
4	M	55.1	Low	59.1	Low	175 Å²	175	148.6 Å²	148.6	86%	0.862	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-67.8	127.6	159.1	-71.5	-64.8	-143.6	0	0	107.1
5	I	61.1	Low	59.9	Low	156 Å²	156	138.8 Å²	138.8	80%	0.8	69%	0.691	S	S	*	*			trans	-92	95.6	163.8	-57.6	175.5	0	0	0	105.2	F3 N7	F3-I5 PolarHBondContact O-N 3.01Å; I5-N7 PolarHBondContact O-N 3.45Å
6	D	59.2	Low	60.9	Low	145 Å²	145	136 Å²	136	78%	0.775	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-62.6	129.5	163.2	-78.7	-48.1	0	0	0	108	C8	D6-C8 PolarHBondContact O-N 3.13Å
7	N	59.3	Low	61.7	Low	153 Å²	153	130.1 Å²	130.1	82%	0.818	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-60.3	133	170.2	-96.9	-23.8	0	0	0	108.3	I5 E9	I5-N7 PolarHBondContact O-N 3.45Å; N7-E9 PolarHBondContact O-N 3.28Å
8	C	61.7	Low	62.8	Low	124 Å²	124	124.2 Å²	124.2	84%	0.838	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-52.7	117.4	170.2	-62.3	0	0	0	0	109.1	D6 Q10	D6-C8 PolarHBondContact O-N 3.13Å; C8-Q10 PolarHBondContact O-N 3.39Å; C8-Q10 VanDerWaalsContact O-N 3.11Å
9	E	59.5	Low	63.7	Low	185 Å²	185	126.6 Å²	126.6	86%	0.864	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-57.1	120.4	176.8	-171.5	171.2	-140	0	0	108.3	N7 I11	N7-E9 PolarHBondContact O-N 3.28Å; E9-I11 PolarHBondContact O-N 3.35Å
10	Q	59.8	Low	64.6	Low	162 Å²	162	122.8 Å²	122.8	76%	0.757	61%	0.607	S	S	*	*			trans	-70.7	99.6	-166.9	-170.1	176.9	19.9	0	0	109.1	C8 L12	C8-Q10 PolarHBondContact O-N 3.39Å; C8-Q10 VanDerWaalsContact O-N 3.11Å; Q10-L12 PolarHBondContact O-N 3Å
11	I	60.8	Low	65.6	Low	143 Å²	143	118.1 Å²	118.1	73%	0.733	59%	0.587	S	S	*	*			trans	-53.9	112	-176.5	-58.2	178.1	0	0	0	108.6	E9 E13 L45	E9-I11 PolarHBondContact O-N 3.35Å; I11-E13 PolarHBondContact O-N 3.41Å; I11-L45 WeakPolarHBondContact O-CD1 3.29Å
12	L	61.5	Low	67.6	Low	104 Å²	104	116.6 Å²	116.6	55%	0.545	58%	0.577	S	S	.	*			trans	-73.7	76.3	178.7	-79.8	162.9	0	0	0	109.4	Q10 S14 T51	Q10-L12 PolarHBondContact O-N 3Å; L12-S14 PolarHBondContact O-N 2.76Å; L12-S14 PolarHBondContact O-OG 2.99Å; L12-T51 HydrophobicContact CB-CG2 3.87Å; L12-T51 HydrophobicContact CD2-CG2 3.83Å; L12-T51 HydrophobicContact CG-CG2 4.42Å
13	E	67.2	Low	69.3	Low	89 Å²	89	108.6 Å²	108.6	42%	0.416	55%	0.545	S	S	.	.			trans	-56.2	105.3	174.8	-170.4	168.2	-156.7	0	0	109	I11 P42 L45	I11-E13 PolarHBondContact O-N 3.41Å; E13-P42 HydrophobicContact CG-CB 4.21Å; E13-P42 HydrophobicContact CG-CG 3.84Å; E13-P42 WeakPolarHBondContact OE1-CB 3.16Å; E13-P42 WeakPolarHBondContact OE1-CG 3.36Å; E13-L45 HydrophobicContact CB-CD1 3.7Å; E13-L45 HydrophobicContact CB-CG 4.05Å
14	S	72.7	Confident	70.7	Confident	45 Å²	45	102.9 Å²	102.9	32%	0.315	53%	0.525	S	S	.	.			trans	-81.3	124.8	177.6	-57.9	0	0	0	0	107.3	L12 T51	L12-S14 PolarHBondContact O-N 2.76Å; L12-S14 PolarHBondContact O-OG 2.99Å; S14-T51 CarbonylContact C-O 3.47Å; S14-T51 WeakPolarHBondContact CA-O 3.26Å
15	G	71.5	Confident	72.1	Confident	2 Å²	2	103.9 Å²	103.9	2%	0.021	53%	0.525	C	S	.	.			trans	-64.6	151.9	-179.1	0	0	0	0	0	111.7	P42 T51 C53	G15-P42 WeakPolarHBondContact CA-O 3.48Å; G15-T51 PolarHBondContact N-O 2.95Å; G15-C53 WeakPolarHBondContact O-CA 3.47Å; G15-C53 PolarHBondContact O-SG 3.34Å; G15-C53 VanDerWaalsContact O-SG 3.39Å
16	N	75.3	Confident	73.1	Confident	94 Å²	94	97.6 Å²	97.6	50%	0.503	50%	0.495	S	S	.	.			trans	-121.4	157.6	168.2	-66.1	-69.4	0	0	0	110.8	C18 N40 C41 P42 C53	N16-C18 PolarHBondContact O-N 3.12Å; N16-N40 PolarHBondContact O-N 3.39Å; N16-C41 WeakPolarHBondContact CB-O 3.27Å; N16-C41 CarbonylContact O-C 3.54Å; N16-C41 PolarHBondContact O-N 3.18Å; N16-P42 PolarHBondContact N-O 2.55Å; N16-C53 PolarHBondContact N-SG 3.43Å; N16-C53 VanDerWaalsContact N-SG 3.4Å; N16-C53 PolarHBondContact O-SG 3.11Å; N16-C53 VanDerWaalsContact O-SG 3.37Å
17	W	74.4	Confident	73.9	Confident	36 Å²	36	95.3 Å²	95.3	14%	0.136	48%	0.479	C	S	.	.	B	Isolated β-bridge	trans	-62.3	129.7	175.7	-69.2	107.1	0	0	0	109.9	R37 C39 C53 K54 T55 Q59 M147	W17-R37 HydrophobicContact CE3-CG 3.78Å; W17-R37 HydrophobicContact CZ3-CG 4.23Å; W17-C39 HydrophobicContact CE3-CB 4.34Å; W17-C39 HydrophobicContact CH2-CB 4.17Å; W17-C39 HydrophobicContact CZ3-CB 3.99Å; W17-C53 HydrophobicContact CD2-CB 3.99Å; W17-C53 HydrophobicContact CG-CB 4.27Å; W17-C53 HydrophobicContact CZ2-CB 3.86Å; W17-K54 PolarHBondContact NE1-O 3.42Å; W17-T55 HydrophobicContact CZ2-CG2 4.26Å; W17-Q59 VanDerWaalsContact CD1-NE2 3.31Å; W17-M147 HydrophobicContact CD2-SD 4.42Å; W17-M147 HydrophobicContact CE3-SD 4.5Å; W17-M147 HydrophobicContact CH2-CB 4.23Å; W17-M147 HydrophobicContact CH2-CE 4.09Å; W17-M147 HydrophobicContact CH2-CG 3.54Å; W17-M147 HydrophobicContact CH2-SD 3.81Å; W17-M147 HydrophobicContact CZ2-CE 3.62Å; W17-M147 HydrophobicContact CZ2-CG 4.04Å; W17-M147 HydrophobicContact CZ2-SD 3.69Å; W17-M147 HydrophobicContact CZ3-CB 4.03Å; W17-M147 HydrophobicContact CZ3-CG 3.86Å; W17-M147 HydrophobicContact CZ3-SD 4.19Å
18	C	81.8	Confident	74.6	Confident	23 Å²	23	91.1 Å²	91.1	16%	0.155	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-64.9	163.3	164.1	-61.5	0	0	0	0	110.6	N16 E38 N40 C41	N16-C18 PolarHBondContact O-N 3.12Å; C18-E38 PolarHBondContact N-O 3.1Å; C18-N40 VanDerWaalsContact SG-C 3.55Å; C18-C41 WeakPolarHBondContact CA-SG 3.21Å; C18-C41 HydrophobicContact CB-CB 3.87Å; C18-C41 WeakPolarHBondContact CB-SG 3.36Å; C18-C41 WeakPolarHBondContact SG-CB 3.19Å; C18-C41 PolarHBondContact SG-N 3.1Å; C18-C41 VanDerWaalsContact SG-N 3.41Å; C18-C41 CovalentContact SG-SG 2.04Å; C18-C41 PolarHBondContact SG-SG 2.9Å
19	E	81.2	Confident	74.8	Confident	170 Å²	170	88.8 Å²	88.8	79%	0.794	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-52.7	155	164.7	-69.8	-56.8	153.9	0	0	111.4
20	W	80.5	Confident	75.1	Confident	50 Å²	50	81.9 Å²	81.9	19%	0.189	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.6	143.7	174.1	-73.6	106.5	0	0	0	111.2	R35 R37 H74 M147 E149	W20-R35 HydrophobicContact CD2-CG 4.21Å; W20-R35 HydrophobicContact CE3-CB 4.46Å; W20-R35 HydrophobicContact CE3-CG 3.66Å; W20-R35 HydrophobicContact CZ3-CG 4.13Å; W20-R37 HydrophobicContact CD2-CB 4.35Å; W20-R37 HydrophobicContact CD2-CG 4.23Å; W20-R37 HydrophobicContact CE3-CB 3.91Å; W20-R37 HydrophobicContact CE3-CG 3.8Å; W20-R37 HydrophobicContact CH2-CG 3.96Å; W20-R37 HydrophobicContact CZ2-CG 4.36Å; W20-R37 HydrophobicContact CZ3-CB 4.23Å; W20-R37 HydrophobicContact CZ3-CG 3.67Å; W20-H74 AromaticContact CH2-CD2 3.7Å; W20-H74 AromaticContact CH2-NE2 3.46Å; W20-H74 WeakPolarHBondContact CH2-NE2 3.37Å; W20-H74 AromaticContact CZ2-CE1 3.65Å; W20-H74 AromaticContact CZ2-NE2 3.18Å; W20-H74 WeakPolarHBondContact CZ2-NE2 3.3Å; W20-M147 HydrophobicContact CH2-CB 4.27Å; W20-E149 HydrophobicContact CH2-CB 3.88Å; W20-E149 HydrophobicContact CZ3-CB 3.95Å
21	S	85.2	Confident	75.8	Confident	25 Å²	25	74.2 Å²	74.2	18%	0.175	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.9	160.2	162.8	77.5	0	0	0	0	110.7	R35 Y36	S21-R35 WeakPolarHBondContact OG-CA 3.47Å; S21-R35 WeakPolarHBondContact OG-CB 3.44Å; S21-Y36 WeakPolarHBondContact CB-O 3.41Å; S21-Y36 PolarHBondContact N-O 3.45Å; S21-Y36 WeakPolarHBondContact OG-CD1 3.16Å; S21-Y36 WeakPolarHBondContact OG-CE1 3.35Å; S21-Y36 PolarHBondContact OG-N 3.03Å; S21-Y36 PolarHBondContact OG-O 3.39Å
22	E	87.7	Confident	76.4	Confident	169 Å²	169	67.7 Å²	67.7	79%	0.79	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-50.9	154	156.6	-64.8	-56.4	151.8	0	0	111.2
23	W	84.9	Confident	77.1	Confident	69 Å²	69	64.4 Å²	64.4	26%	0.261	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66.9	143.2	172.8	-69.5	107.5	0	0	0	111.3	R33 R35 E149 D151	W23-R33 HydrophobicContact CB-CG 4.4Å; W23-R33 HydrophobicContact CD2-CG 4.07Å; W23-R33 HydrophobicContact CE3-CB 4.4Å; W23-R33 HydrophobicContact CE3-CG 3.72Å; W23-R33 HydrophobicContact CG-CG 4.38Å; W23-R33 HydrophobicContact CZ3-CG 4.36Å; W23-R33 WeakPolarHBondContact CZ3-O 3.04Å; W23-R35 HydrophobicContact CD2-CB 4.09Å; W23-R35 HydrophobicContact CD2-CG 4.18Å; W23-R35 HydrophobicContact CE3-CB 3.67Å; W23-R35 HydrophobicContact CE3-CG 3.73Å; W23-R35 HydrophobicContact CH2-CG 3.66Å; W23-R35 VanDerWaalsContact CZ2-CD 3.49Å; W23-R35 HydrophobicContact CZ2-CG 4.14Å; W23-R35 HydrophobicContact CZ3-CB 3.92Å; W23-R35 HydrophobicContact CZ3-CG 3.47Å; W23-R35 VanDerWaalsContact CZ3-CG 3.47Å; W23-E149 HydrophobicContact CH2-CB 4.48Å; W23-E149 HydrophobicContact CH2-CG 4.07Å; W23-D151 HydrophobicContact CE3-CB 4.43Å; W23-D151 HydrophobicContact CH2-CB 3.48Å; W23-D151 VanDerWaalsContact CH2-CB 3.48Å; W23-D151 HydrophobicContact CZ2-CB 4.02Å; W23-D151 HydrophobicContact CZ3-CB 3.69Å
24	S	84.4	Confident	77.7	Confident	41 Å²	41	63.8 Å²	63.8	29%	0.287	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-65.3	165.2	167.6	76.6	0	0	0	0	111.1	Q34	S24-Q34 VanDerWaalsContact CB-O 3.3Å; S24-Q34 WeakPolarHBondContact CB-O 3.38Å; S24-Q34 PolarHBondContact N-O 3.34Å; S24-Q34 VanDerWaalsContact OG-CG 3.32Å; S24-Q34 WeakPolarHBondContact OG-CG 3.45Å; S24-Q34 PolarHBondContact OG-N 2.8Å; S24-Q34 PolarHBondContact OG-O 2.88Å
25	K	85.3	Confident	78.1	Confident	196 Å²	196	64.1 Å²	64.1	85%	0.852	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-53.8	148.1	157.1	-60.2	-177	180	-176.5	0	109.9	E27	K25-E27 PolarHBondContact O-N 3.46Å
26	C	80.3	Confident	78.5	Confident	25 Å²	25	70.1 Å²	70.1	17%	0.169	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-58.7	131.2	173	-178.5	0	0	0	0	111.6	L28 T32 C155	C26-L28 HydrophobicContact CB-CD2 4.36Å; C26-L28 PolarHBondContact O-N 3.28Å; C26-T32 CarbonylContact C-O 3.54Å; C26-T32 WeakPolarHBondContact CA-O 3.28Å; C26-C155 HydrophobicContact CB-CB 3.6Å; C26-C155 WeakPolarHBondContact CB-SG 3.22Å; C26-C155 WeakPolarHBondContact SG-CB 3.48Å; C26-C155 CovalentContact SG-SG 2.03Å; C26-C155 PolarHBondContact SG-SG 2.85Å
27	E	77.1	Confident	78.5	Confident	96 Å²	96	66 Å²	66	45%	0.449	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-78.1	100.1	154	-178.4	-177.4	-142.1	0	0	107.9	K25 T29 T30 C31 T32	K25-E27 PolarHBondContact O-N 3.46Å; E27-T29 VanDerWaalsContact C-N 3.32Å; E27-T29 PolarHBondContact O-N 2.63Å; E27-T30 HydrophobicContact CG-CG2 4.48Å; E27-T30 PolarHBondContact O-N 3.23Å; E27-T30 PolarHBondContact O-OG1 2.91Å; E27-T30 WeakPolarHBondContact OE2-CB 3.5Å; E27-T30 WeakPolarHBondContact OE2-CG2 3.16Å; E27-T30 PolarHBondContact OE2-OG1 2.88Å; E27-C31 PolarHBondContact O-N 3.4Å; E27-T32 PolarHBondContact N-O 2.97Å; E27-T32 PolarHBondContact O-N 3.39Å
28	L	73.5	Confident	78.7	Confident	66 Å²	66	68 Å²	68	35%	0.346	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-59.3	-42.9	-175.8	-64.2	163.8	0	0	0	111.6	C26 T30 C31 P269 E271 C272	C26-L28 HydrophobicContact CB-CD2 4.36Å; C26-L28 PolarHBondContact O-N 3.28Å; L28-T30 PolarHBondContact O-N 3.48Å; L28-C31 PolarHBondContact O-N 2.65Å; L28-P269 HydrophobicContact CD2-CB 4.22Å; L28-E271 CarbonylContact C-O 3.21Å; L28-E271 VanDerWaalsContact C-O 3.32Å; L28-E271 HydrophobicContact CB-CB 3.59Å; L28-E271 HydrophobicContact CD1-CB 3.74Å; L28-E271 HydrophobicContact CD1-CG 4.06Å; L28-E271 HydrophobicContact CD2-CB 4.23Å; L28-E271 HydrophobicContact CG-CB 4.04Å; L28-C272 VanDerWaalsContact O-CA 3.31Å; L28-C272 WeakPolarHBondContact O-CA 3.37Å
29	T	66.3	Low	78.2	Confident	74 Å²	74	67.1 Å²	67.1	45%	0.454	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-50.8	-29.4	178.9	-35.2	0	0	0	0	115	E27	E27-T29 VanDerWaalsContact C-N 3.32Å; E27-T29 PolarHBondContact O-N 2.63Å
30	T	66.2	Low	78.1	Confident	41 Å²	41	62 Å²	62	25%	0.252	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-113.6	-0.1	179.5	61.5	0	0	0	0	112.6	E27 L28 T32 F274	E27-T30 HydrophobicContact CG-CG2 4.48Å; E27-T30 PolarHBondContact O-N 3.23Å; E27-T30 PolarHBondContact O-OG1 2.91Å; E27-T30 WeakPolarHBondContact OE2-CB 3.5Å; E27-T30 WeakPolarHBondContact OE2-CG2 3.16Å; E27-T30 PolarHBondContact OE2-OG1 2.88Å; L28-T30 PolarHBondContact O-N 3.48Å; T30-T32 VanDerWaalsContact O-CG2 3.28Å; T30-T32 WeakPolarHBondContact O-CG2 3.45Å; T30-T32 PolarHBondContact O-N 3.07Å; T30-T32 VanDerWaalsContact O-N 3.16Å; T30-T32 PolarHBondContact OG1-OG1 3.25Å; T30-F274 VanDerWaalsContact O-CE1 3.25Å; T30-F274 WeakPolarHBondContact O-CE1 3.38Å; T30-F274 WeakPolarHBondContact O-CZ 3.42Å
31	C	73.1	Confident	78.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.4	42.4	-167.4	-139.5	0	0	0	0	112.9	E27 L28 G153 C272 F274	E27-C31 PolarHBondContact O-N 3.4Å; L28-C31 PolarHBondContact O-N 2.65Å; C31-G153 PolarHBondContact O-N 2.78Å; C31-C272 VanDerWaalsContact CA-SG 3.53Å; C31-C272 HydrophobicContact CB-CB 3.59Å; C31-C272 WeakPolarHBondContact CB-SG 3.38Å; C31-C272 WeakPolarHBondContact SG-CB 3.39Å; C31-C272 CovalentContact SG-SG 2.05Å; C31-C272 PolarHBondContact SG-SG 3.02Å; C31-F274 HydrophobicContact CB-CE2 4.1Å; C31-F274 HydrophobicContact CB-CZ 4.36Å
32	T	73.8	Confident	78	Confident	6 Å²	6	63.9 Å²	63.9	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.6	176.8	71.2	0	0	0	0	112.8	C26 E27 T30 Y150 D151 I152 C155	C26-T32 CarbonylContact C-O 3.54Å; C26-T32 WeakPolarHBondContact CA-O 3.28Å; E27-T32 PolarHBondContact N-O 2.97Å; E27-T32 PolarHBondContact O-N 3.39Å; T30-T32 VanDerWaalsContact O-CG2 3.28Å; T30-T32 WeakPolarHBondContact O-CG2 3.45Å; T30-T32 PolarHBondContact O-N 3.07Å; T30-T32 VanDerWaalsContact O-N 3.16Å; T30-T32 PolarHBondContact OG1-OG1 3.25Å; T32-Y150 HydrophobicContact CG2-CD1 4.48Å; T32-D151 CarbonylContact C-O 3.32Å; T32-D151 WeakPolarHBondContact CA-O 3.23Å; T32-D151 WeakPolarHBondContact CB-O 3.13Å; T32-I152 HydrophobicContact CG2-CB 4.19Å; T32-I152 HydrophobicContact CG2-CG1 3.64Å; T32-I152 HydrophobicContact CG2-CG2 4.39Å; T32-C155 VanDerWaalsContact C-SG 3.51Å; T32-C155 PolarHBondContact N-SG 2.97Å; T32-C155 VanDerWaalsContact N-SG 3.43Å; T32-C155 PolarHBondContact O-SG 3.1Å
33	R	76.4	Confident	77.5	Confident	36 Å²	36	61.5 Å²	61.5	14%	0.136	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.8	163.1	60.7	-178.6	-169.8	-169.3	-12	109.7	W23 Y150 D151 A154 D156	W23-R33 HydrophobicContact CB-CG 4.4Å; W23-R33 HydrophobicContact CD2-CG 4.07Å; W23-R33 HydrophobicContact CE3-CB 4.4Å; W23-R33 HydrophobicContact CE3-CG 3.72Å; W23-R33 HydrophobicContact CG-CG 4.38Å; W23-R33 HydrophobicContact CZ3-CG 4.36Å; W23-R33 WeakPolarHBondContact CZ3-O 3.04Å; R33-Y150 WeakPolarHBondContact O-CA 3.49Å; R33-D151 HydrophobicContact CG-CB 4.3Å; R33-D151 PolarHBondContact N-O 3.08Å; R33-D151 PolarHBondContact O-N 3.33Å; R33-A154 VanDerWaalsContact CD-O 3.22Å; R33-A154 WeakPolarHBondContact CD-O 3.27Å; R33-A154 PolarHBondContact NE-O 3.21Å; R33-A154 PolarHBondContact NH1-O 3.29Å; R33-A154 PolarHBondContact NH2-O 3.36Å; R33-D156 IonicContact CZ-OD1 2.69Å; R33-D156 IonicContact CZ-OD2 3.97Å; R33-D156 IonicContact NH1-OD1 2.76Å; R33-D156 PolarHBondContact NH1-OD1 3.45Å; R33-D156 IonicContact NH1-OD2 3.32Å; R33-D156 PolarHBondContact NH1-OD2 2.86Å
34	Q	80.2	Confident	76.7	Confident	75 Å²	75	58.4 Å²	58.4	35%	0.35	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.9	-177.6	60	175.7	-56.5	0	0	111.9	S24 R148 E149	S24-Q34 VanDerWaalsContact CB-O 3.3Å; S24-Q34 WeakPolarHBondContact CB-O 3.38Å; S24-Q34 PolarHBondContact N-O 3.34Å; S24-Q34 VanDerWaalsContact OG-CG 3.32Å; S24-Q34 WeakPolarHBondContact OG-CG 3.45Å; S24-Q34 PolarHBondContact OG-N 2.8Å; S24-Q34 PolarHBondContact OG-O 2.88Å; Q34-R148 HydrophobicContact CB-CG 4.34Å; Q34-E149 CarbonylContact C-O 3.41Å; Q34-E149 WeakPolarHBondContact CA-O 3.12Å
35	R	80.6	Confident	75.8	Confident	52 Å²	52	61.8 Å²	61.8	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.9	165.2	66	-179.8	-178.4	177.3	-4.9	109.5	W20 S21 W23 R148 E149	W20-R35 HydrophobicContact CD2-CG 4.21Å; W20-R35 HydrophobicContact CE3-CB 4.46Å; W20-R35 HydrophobicContact CE3-CG 3.66Å; W20-R35 HydrophobicContact CZ3-CG 4.13Å; S21-R35 WeakPolarHBondContact OG-CA 3.47Å; S21-R35 WeakPolarHBondContact OG-CB 3.44Å; W23-R35 HydrophobicContact CD2-CB 4.09Å; W23-R35 HydrophobicContact CD2-CG 4.18Å; W23-R35 HydrophobicContact CE3-CB 3.67Å; W23-R35 HydrophobicContact CE3-CG 3.73Å; W23-R35 HydrophobicContact CH2-CG 3.66Å; W23-R35 VanDerWaalsContact CZ2-CD 3.49Å; W23-R35 HydrophobicContact CZ2-CG 4.14Å; W23-R35 HydrophobicContact CZ3-CB 3.92Å; W23-R35 HydrophobicContact CZ3-CG 3.47Å; W23-R35 VanDerWaalsContact CZ3-CG 3.47Å; R35-R148 CarbonylContact O-C 3.58Å; R35-R148 WeakPolarHBondContact O-CA 3.32Å; R35-E149 HydrophobicContact CG-CB 3.9Å; R35-E149 IonicContact CZ-OE2 2.76Å; R35-E149 VanDerWaalsContact CZ-OE2 3.28Å; R35-E149 PolarHBondContact N-O 2.91Å; R35-E149 IonicContact NE-OE2 2.81Å; R35-E149 PolarHBondContact NE-OE2 2.93Å; R35-E149 IonicContact NH2-OE2 2.77Å; R35-E149 PolarHBondContact NH2-OE2 3.47Å; R35-E149 PolarHBondContact O-N 3.31Å
36	Y	81	Confident	74.8	Confident	129 Å²	129	54.7 Å²	54.7	51%	0.506	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	163.9	-177.1	61.5	-87.8	0	0	0	111.5	S21 M147	S21-Y36 WeakPolarHBondContact CB-O 3.41Å; S21-Y36 PolarHBondContact N-O 3.45Å; S21-Y36 WeakPolarHBondContact OG-CD1 3.16Å; S21-Y36 WeakPolarHBondContact OG-CE1 3.35Å; S21-Y36 PolarHBondContact OG-N 3.03Å; S21-Y36 PolarHBondContact OG-O 3.39Å; Y36-M147 CarbonylContact C-O 3.51Å; Y36-M147 VanDerWaalsContact CA-O 3.24Å; Y36-M147 WeakPolarHBondContact CA-O 3.39Å
37	R	75.1	Confident	73.7	Confident	6 Å²	6	57.1 Å²	57.1	2%	0.023	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.4	168.3	62.6	179.4	-177.7	-166	-1.7	110.2	W17 W20 G146 M147	W17-R37 HydrophobicContact CE3-CG 3.78Å; W17-R37 HydrophobicContact CZ3-CG 4.23Å; W20-R37 HydrophobicContact CD2-CB 4.35Å; W20-R37 HydrophobicContact CD2-CG 4.23Å; W20-R37 HydrophobicContact CE3-CB 3.91Å; W20-R37 HydrophobicContact CE3-CG 3.8Å; W20-R37 HydrophobicContact CH2-CG 3.96Å; W20-R37 HydrophobicContact CZ2-CG 4.36Å; W20-R37 HydrophobicContact CZ3-CB 4.23Å; W20-R37 HydrophobicContact CZ3-CG 3.67Å; R37-G146 CarbonylContact O-C 3.31Å; R37-G146 VanDerWaalsContact O-CA 3.27Å; R37-G146 WeakPolarHBondContact O-CA 3.47Å; R37-M147 HydrophobicContact CG-CB 4.09Å; R37-M147 PolarHBondContact N-O 3.2Å; R37-M147 PolarHBondContact NH2-SD 2.92Å; R37-M147 PolarHBondContact O-N 3.41Å
38	E	78	Confident	72.7	Confident	79 Å²	79	55.3 Å²	55.3	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	156.1	178.3	-58	-165.2	149.7	0	0	112	C18 N40	C18-E38 PolarHBondContact N-O 3.1Å; E38-N40 VanDerWaalsContact C-N 3.32Å; E38-N40 HydrophobicContact CB-CB 3.71Å; E38-N40 PolarHBondContact O-N 2.96Å; E38-N40 PolarHBondContact OE2-ND2 3.21Å
39	C	70.9	Confident	71.8	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.027	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-87	75.2	165.3	170.2	0	0	0	0	109.2	W17 W47 C53 K145	W17-C39 HydrophobicContact CE3-CB 4.34Å; W17-C39 HydrophobicContact CH2-CB 4.17Å; W17-C39 HydrophobicContact CZ3-CB 3.99Å; C39-W47 HydrophobicContact CB-CH2 3.56Å; C39-W47 HydrophobicContact CB-CZ3 3.74Å; C39-W47 WeakPolarHBondContact O-CH2 3.36Å; C39-W47 WeakPolarHBondContact O-CZ2 3.4Å; C39-W47 VanDerWaalsContact SG-CH2 3.5Å; C39-W47 WeakPolarHBondContact SG-CZ3 3.31Å; C39-C53 WeakPolarHBondContact CA-SG 3.03Å; C39-C53 HydrophobicContact CB-CB 3.64Å; C39-C53 WeakPolarHBondContact CB-SG 3.48Å; C39-C53 WeakPolarHBondContact SG-CB 3.31Å; C39-C53 PolarHBondContact SG-N 3.44Å; C39-C53 CovalentContact SG-SG 2.01Å; C39-C53 PolarHBondContact SG-SG 2.96Å; C39-K145 PolarHBondContact N-O 2.97Å; C39-K145 VanDerWaalsContact N-O 3.15Å
40	N	79.2	Confident	71.5	Confident	64 Å²	64	61.7 Å²	61.7	34%	0.342	31%	0.308	S	S	.	.			trans	-147.3	5.6	-163.2	-151.2	12.6	0	0	0	113.8	N16 C18 E38 P42 K43	N16-N40 PolarHBondContact O-N 3.39Å; C18-N40 VanDerWaalsContact SG-C 3.55Å; E38-N40 VanDerWaalsContact C-N 3.32Å; E38-N40 HydrophobicContact CB-CB 3.71Å; E38-N40 PolarHBondContact O-N 2.96Å; E38-N40 PolarHBondContact OE2-ND2 3.21Å; N40-P42 CarbonylContact C-O 3.5Å; N40-P42 VanDerWaalsContact C-O 3.31Å; N40-P42 CarbonylContact O-C 3.38Å; N40-K43 PolarHBondContact O-N 3.09Å; N40-K43 WeakPolarHBondContact OD1-CB 3.15Å; N40-K43 WeakPolarHBondContact OD1-CD 3.29Å; N40-K43 WeakPolarHBondContact OD1-CG 3.25Å
41	C	81	Confident	71.3	Confident	72 Å²	72	59.8 Å²	59.8	49%	0.486	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	69.7	-172.8	-62.3	0	0	0	0	113.6	N16 C18	N16-C41 WeakPolarHBondContact CB-O 3.27Å; N16-C41 CarbonylContact O-C 3.54Å; N16-C41 PolarHBondContact O-N 3.18Å; C18-C41 WeakPolarHBondContact CA-SG 3.21Å; C18-C41 HydrophobicContact CB-CB 3.87Å; C18-C41 WeakPolarHBondContact CB-SG 3.36Å; C18-C41 WeakPolarHBondContact SG-CB 3.19Å; C18-C41 PolarHBondContact SG-N 3.1Å; C18-C41 VanDerWaalsContact SG-N 3.41Å; C18-C41 CovalentContact SG-SG 2.04Å; C18-C41 PolarHBondContact SG-SG 2.9Å
42	P	82.5	Confident	70.5	Confident	42 Å²	42	61.8 Å²	61.8	27%	0.273	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	cis	-81.6	170.3	3.6	33.9	-36	0	0	0	112.1	E13 G15 N16 N40	E13-P42 HydrophobicContact CG-CB 4.21Å; E13-P42 HydrophobicContact CG-CG 3.84Å; E13-P42 WeakPolarHBondContact OE1-CB 3.16Å; E13-P42 WeakPolarHBondContact OE1-CG 3.36Å; G15-P42 WeakPolarHBondContact CA-O 3.48Å; N16-P42 PolarHBondContact N-O 2.55Å; N40-P42 CarbonylContact C-O 3.5Å; N40-P42 VanDerWaalsContact C-O 3.31Å; N40-P42 CarbonylContact O-C 3.38Å
43	K	77.1	Confident	70	Confident	119 Å²	119	61.7 Å²	61.7	52%	0.517	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-79.2	135.3	173.6	-166	177.6	-173.1	171.5	0	109.9	N40 L45 W47	N40-K43 PolarHBondContact O-N 3.09Å; N40-K43 WeakPolarHBondContact OD1-CB 3.15Å; N40-K43 WeakPolarHBondContact OD1-CD 3.29Å; N40-K43 WeakPolarHBondContact OD1-CG 3.25Å; K43-L45 PolarHBondContact O-N 3.04Å; K43-W47 HydrophobicContact CG-CZ2 4.15Å
44	P	68.2	Low	69.1	Low	4 Å²	4	66.3 Å²	66.3	3%	0.026	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-55	123.8	169.6	-22	31	0	0	0	111.4	S46 W47 T51	P44-S46 WeakPolarHBondContact CB-O 3.34Å; P44-S46 PolarHBondContact O-N 2.66Å; P44-W47 HydrophobicContact CB-CD2 4Å; P44-W47 HydrophobicContact CB-CG 4.08Å; P44-W47 HydrophobicContact CG-CD2 3.76Å; P44-W47 HydrophobicContact CG-CE3 3.92Å; P44-W47 HydrophobicContact CG-CG 4.37Å; P44-W47 HydrophobicContact CG-CH2 4.22Å; P44-W47 HydrophobicContact CG-CZ2 3.96Å; P44-W47 HydrophobicContact CG-CZ3 4.17Å; P44-W47 PolarHBondContact O-NE1 2.75Å; P44-T51 WeakPolarHBondContact CB-O 3.5Å; P44-T51 WeakPolarHBondContact CG-O 3.38Å
45	L	67	Low	67.6	Low	112 Å²	112	65.4 Å²	65.4	59%	0.586	33%	0.326	S	S	*	.	S	Bend	trans	-58.5	-36.3	175.2	-88.6	169.6	0	0	0	111.9	I11 E13 K43	I11-L45 WeakPolarHBondContact O-CD1 3.29Å; E13-L45 HydrophobicContact CB-CD1 3.7Å; E13-L45 HydrophobicContact CB-CG 4.05Å; K43-L45 PolarHBondContact O-N 3.04Å
46	S	63.1	Low	65.6	Low	47 Å²	47	69.5 Å²	69.5	33%	0.329	35%	0.346	S	S	.	.	S	Bend	trans	-132.9	148.6	162.8	60.7	0	0	0	0	108	P44 T48 T51	P44-S46 WeakPolarHBondContact CB-O 3.34Å; P44-S46 PolarHBondContact O-N 2.66Å; S46-T48 PolarHBondContact O-N 3.44Å; S46-T51 VanDerWaalsContact O-CB 3.32Å; S46-T51 WeakPolarHBondContact O-CB 3.37Å; S46-T51 PolarHBondContact O-OG1 2.79Å
47	W	58.2	Low	63.5	Low	76 Å²	76	66 Å²	66	29%	0.288	33%	0.333	S	S	.	.			trans	-96.8	87	-178.8	-71.9	72.2	0	0	0	109.9	C39 K43 P44 L142	C39-W47 HydrophobicContact CB-CH2 3.56Å; C39-W47 HydrophobicContact CB-CZ3 3.74Å; C39-W47 WeakPolarHBondContact O-CH2 3.36Å; C39-W47 WeakPolarHBondContact O-CZ2 3.4Å; C39-W47 VanDerWaalsContact SG-CH2 3.5Å; C39-W47 WeakPolarHBondContact SG-CZ3 3.31Å; K43-W47 HydrophobicContact CG-CZ2 4.15Å; P44-W47 HydrophobicContact CB-CD2 4Å; P44-W47 HydrophobicContact CB-CG 4.08Å; P44-W47 HydrophobicContact CG-CD2 3.76Å; P44-W47 HydrophobicContact CG-CE3 3.92Å; P44-W47 HydrophobicContact CG-CG 4.37Å; P44-W47 HydrophobicContact CG-CH2 4.22Å; P44-W47 HydrophobicContact CG-CZ2 3.96Å; P44-W47 HydrophobicContact CG-CZ3 4.17Å; P44-W47 PolarHBondContact O-NE1 2.75Å; W47-L142 HydrophobicContact CB-CB 3.98Å; W47-L142 HydrophobicContact CB-CD2 4.28Å; W47-L142 HydrophobicContact CD2-CD2 4.34Å; W47-L142 HydrophobicContact CE3-CB 4.43Å; W47-L142 HydrophobicContact CE3-CD2 3.5Å; W47-L142 HydrophobicContact CG-CB 4.45Å; W47-L142 HydrophobicContact CZ3-CD2 4.16Å
48	T	54.9	Low	61.8	Low	58 Å²	58	66.5 Å²	66.5	36%	0.356	34%	0.337	S	S	.	.	S	Bend	trans	-120	164.7	178.7	78.5	0	0	0	0	109.9	S46 V50 T51 E52	S46-T48 PolarHBondContact O-N 3.44Å; T48-V50 PolarHBondContact O-N 3.23Å; T48-V50 PolarHBondContact OG1-N 2.03Å; T48-T51 PolarHBondContact N-OG1 2.97Å; T48-T51 VanDerWaalsContact N-OG1 3.13Å; T48-T51 PolarHBondContact O-N 2.79Å; T48-T51 PolarHBondContact OG1-N 3.02Å; T48-T51 PolarHBondContact OG1-OG1 3.32Å; T48-E52 WeakPolarHBondContact O-CB 3.45Å; T48-E52 WeakPolarHBondContact O-CG 3.47Å; T48-E52 PolarHBondContact O-N 2.94Å
49	K	55.4	Low	59.9	Low	168 Å²	168	67.1 Å²	67.1	73%	0.73	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.1	173.1	-172.9	177.8	174.9	-172.1	0	114.6
50	V	60.6	Low	58.4	Low	106 Å²	106	70.5 Å²	70.5	64%	0.642	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-34	178	-176.4	0	0	0	0	111.5	T48	T48-V50 PolarHBondContact O-N 3.23Å; T48-V50 PolarHBondContact OG1-N 2.03Å
51	T	60.7	Low	56.6	Low	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-14.3	-169.7	46.1	0	0	0	0	114.7	L12 S14 G15 P44 S46 T48	L12-T51 HydrophobicContact CB-CG2 3.87Å; L12-T51 HydrophobicContact CD2-CG2 3.83Å; L12-T51 HydrophobicContact CG-CG2 4.42Å; S14-T51 CarbonylContact C-O 3.47Å; S14-T51 WeakPolarHBondContact CA-O 3.26Å; G15-T51 PolarHBondContact N-O 2.95Å; P44-T51 WeakPolarHBondContact CB-O 3.5Å; P44-T51 WeakPolarHBondContact CG-O 3.38Å; S46-T51 VanDerWaalsContact O-CB 3.32Å; S46-T51 WeakPolarHBondContact O-CB 3.37Å; S46-T51 PolarHBondContact O-OG1 2.79Å; T48-T51 PolarHBondContact N-OG1 2.97Å; T48-T51 VanDerWaalsContact N-OG1 3.13Å; T48-T51 PolarHBondContact O-N 2.79Å; T48-T51 PolarHBondContact OG1-N 3.02Å; T48-T51 PolarHBondContact OG1-OG1 3.32Å
52	E	57.6	Low	54.7	Low	42 Å²	42	69.1 Å²	69.1	20%	0.196	34%	0.339	C	S	.	.	S	Bend	trans	-60.3	148.2	170.3	70	-173.2	172.7	0	0	110.6	T48 K54	T48-E52 WeakPolarHBondContact O-CB 3.45Å; T48-E52 WeakPolarHBondContact O-CG 3.47Å; T48-E52 PolarHBondContact O-N 2.94Å; E52-K54 PolarHBondContact O-N 3.11Å; E52-K54 VanDerWaalsContact O-N 3.16Å
53	C	62.9	Low	52.7	Low	4 Å²	4	74 Å²	74	3%	0.027	35%	0.352	C	S	.	.			trans	-59.8	125.9	175.1	-53.2	0	0	0	0	109	G15 N16 W17 C39 T55	G15-C53 WeakPolarHBondContact O-CA 3.47Å; G15-C53 PolarHBondContact O-SG 3.34Å; G15-C53 VanDerWaalsContact O-SG 3.39Å; N16-C53 PolarHBondContact N-SG 3.43Å; N16-C53 VanDerWaalsContact N-SG 3.4Å; N16-C53 PolarHBondContact O-SG 3.11Å; N16-C53 VanDerWaalsContact O-SG 3.37Å; W17-C53 HydrophobicContact CD2-CB 3.99Å; W17-C53 HydrophobicContact CG-CB 4.27Å; W17-C53 HydrophobicContact CZ2-CB 3.86Å; C39-C53 WeakPolarHBondContact CA-SG 3.03Å; C39-C53 HydrophobicContact CB-CB 3.64Å; C39-C53 WeakPolarHBondContact CB-SG 3.48Å; C39-C53 WeakPolarHBondContact SG-CB 3.31Å; C39-C53 PolarHBondContact SG-N 3.44Å; C39-C53 CovalentContact SG-SG 2.01Å; C39-C53 PolarHBondContact SG-SG 2.96Å; C53-T55 PolarHBondContact O-N 2.83Å
54	K	56.5	Low	51.1	Low	133 Å²	133	70.8 Å²	70.8	58%	0.578	34%	0.34	S	S	*	.			trans	-56.4	108.4	-173.4	-73.6	169.8	-175.8	164	0	109.4	W17 E52 F56	W17-K54 PolarHBondContact NE1-O 3.42Å; E52-K54 PolarHBondContact O-N 3.11Å; E52-K54 VanDerWaalsContact O-N 3.16Å; K54-F56 HydrophobicContact CB-CB 4.36Å; K54-F56 HydrophobicContact CB-CD2 3.83Å; K54-F56 HydrophobicContact CG-CD2 3.93Å; K54-F56 HydrophobicContact CG-CE2 4.44Å
55	T	49.9	Very low	50.7	Low	56 Å²	56	77.4 Å²	77.4	34%	0.344	38%	0.375	S	S	.	.			trans	-76.1	-14.1	169.4	51.2	0	0	0	0	111.3	W17 C53 K57 M147	W17-T55 HydrophobicContact CZ2-CG2 4.26Å; C53-T55 PolarHBondContact O-N 2.83Å; T55-K57 PolarHBondContact O-N 3.28Å; T55-M147 HydrophobicContact CG2-CE 4.23Å
56	F	37.9	Very low	49.7	Very low	139 Å²	139	79 Å²	79	61%	0.61	38%	0.384	S	S	*	.			trans	-48.4	125.9	157	-52.9	-95.2	0	0	0	109.4	K54	K54-F56 HydrophobicContact CB-CB 4.36Å; K54-F56 HydrophobicContact CB-CD2 3.83Å; K54-F56 HydrophobicContact CG-CD2 3.93Å; K54-F56 HydrophobicContact CG-CE2 4.44Å
57	K	37.5	Very low	48.4	Very low	56 Å²	56	80.9 Å²	80.9	24%	0.243	39%	0.394	C	S	.	.	S	Bend	trans	74.1	83.7	-177.1	-55.2	-170.8	141.1	-77.4	0	114.9	T55 Q59 D61 I68	T55-K57 PolarHBondContact O-N 3.28Å; K57-Q59 WeakPolarHBondContact O-CA 3.01Å; K57-Q59 WeakPolarHBondContact O-CG 3.44Å; K57-Q59 PolarHBondContact O-N 2.83Å; K57-D61 WeakPolarHBondContact CA-OD1 3.43Å; K57-D61 HydrophobicContact CB-CB 3.63Å; K57-D61 HydrophobicContact CD-CB 4.2Å; K57-D61 HydrophobicContact CG-CB 4Å; K57-D61 WeakPolarHBondContact CG-OD2 3.2Å; K57-D61 PolarHBondContact NZ-O 2.99Å; K57-D61 IonicContact NZ-OD2 2.74Å; K57-D61 PolarHBondContact NZ-OD2 2.79Å; K57-I68 HydrophobicContact CG-CD1 4.33Å
58	P	39	Very low	47.3	Very low	16 Å²	16	79.3 Å²	79.3	10%	0.104	39%	0.391	C	S	.	.			trans	-27.7	99	139.8	-37.5	40.6	0	0	0	113.8	N60 D61 H71 T72	P58-N60 CarbonylContact O-C 3.51Å; P58-N60 PolarHBondContact O-N 3.1Å; P58-D61 WeakPolarHBondContact CD-OD1 3.46Å; P58-D61 WeakPolarHBondContact O-CA 3.01Å; P58-D61 WeakPolarHBondContact O-CB 3.18Å; P58-D61 PolarHBondContact O-N 3.4Å; P58-H71 HydrophobicContact CB-CB 4.5Å; P58-H71 HydrophobicContact CG-CB 4.34Å; P58-H71 VanDerWaalsContact CG-CE1 3.41Å; P58-H71 WeakPolarHBondContact CG-CE1 3.47Å; P58-H71 WeakPolarHBondContact CG-ND1 3.42Å; P58-H71 WeakPolarHBondContact CG-NE2 3.45Å; P58-T72 VanDerWaalsContact C-CG2 3.49Å; P58-T72 WeakPolarHBondContact CA-OG1 3.23Å; P58-T72 HydrophobicContact CB-CG2 3.86Å; P58-T72 VanDerWaalsContact CB-OG1 3.26Å; P58-T72 WeakPolarHBondContact CB-OG1 3.26Å
59	Q	37.6	Very low	46.8	Very low	91 Å²	91	78.5 Å²	78.5	43%	0.425	38%	0.384	S	S	.	.	S	Bend	trans	-68.6	6	-151.4	-78.2	-166.5	2.1	0	0	119.3	W17 K57 D61 H74	W17-Q59 VanDerWaalsContact CD1-NE2 3.31Å; K57-Q59 WeakPolarHBondContact O-CA 3.01Å; K57-Q59 WeakPolarHBondContact O-CG 3.44Å; K57-Q59 PolarHBondContact O-N 2.83Å; Q59-D61 PolarHBondContact O-N 3.02Å; Q59-H74 PolarHBondContact N-CE1 3.48Å
60	N	40.3	Very low	46.4	Very low	75 Å²	75	70.9 Å²	70.9	40%	0.401	35%	0.351	S	S	.	.	S	Bend	trans	-92.1	46.8	155.8	-51.2	-21.5	0	0	0	109.2	P58 Y62 K70 T72	P58-N60 CarbonylContact O-C 3.51Å; P58-N60 PolarHBondContact O-N 3.1Å; N60-Y62 VanDerWaalsContact C-N 3.32Å; N60-Y62 WeakPolarHBondContact O-CD2 3.39Å; N60-Y62 PolarHBondContact O-N 2.74Å; N60-K70 WeakPolarHBondContact O-CB 3.42Å; N60-T72 HydrophobicContact CB-CG2 3.64Å; N60-T72 VanDerWaalsContact N-CG2 3.33Å
61	D	40.3	Very low	45.4	Very low	18 Å²	18	68.1 Å²	68.1	10%	0.096	33%	0.331	C	S	.	.			trans	-89.8	66.9	-167.1	-144.5	84.7	0	0	0	110.6	K57 P58 Q59 R63 I68	K57-D61 WeakPolarHBondContact CA-OD1 3.43Å; K57-D61 HydrophobicContact CB-CB 3.63Å; K57-D61 HydrophobicContact CD-CB 4.2Å; K57-D61 HydrophobicContact CG-CB 4Å; K57-D61 WeakPolarHBondContact CG-OD2 3.2Å; K57-D61 PolarHBondContact NZ-O 2.99Å; K57-D61 IonicContact NZ-OD2 2.74Å; K57-D61 PolarHBondContact NZ-OD2 2.79Å; P58-D61 WeakPolarHBondContact CD-OD1 3.46Å; P58-D61 WeakPolarHBondContact O-CA 3.01Å; P58-D61 WeakPolarHBondContact O-CB 3.18Å; P58-D61 PolarHBondContact O-N 3.4Å; Q59-D61 PolarHBondContact O-N 3.02Å; D61-R63 PolarHBondContact O-N 2.81Å; D61-I68 VanDerWaalsContact OD2-CG1 3.31Å; D61-I68 WeakPolarHBondContact OD2-CG1 3.23Å; D61-I68 WeakPolarHBondContact OD2-CG2 3.47Å
62	Y	42.5	Very low	44.8	Very low	90 Å²	90	68.6 Å²	68.6	35%	0.353	33%	0.334	S	S	.	.			trans	-52.1	141.6	176.1	-72.1	-121.6	0	0	0	108.9	N60 I69 K70 F189 E190	N60-Y62 VanDerWaalsContact C-N 3.32Å; N60-Y62 WeakPolarHBondContact O-CD2 3.39Å; N60-Y62 PolarHBondContact O-N 2.74Å; Y62-I69 WeakPolarHBondContact O-CG1 3.27Å; Y62-K70 HydrophobicContact CD2-CD 3.5Å; Y62-K70 VanDerWaalsContact CD2-CD 3.5Å; Y62-K70 HydrophobicContact CD2-CG 4.5Å; Y62-K70 HydrophobicContact CE2-CD 4.18Å; Y62-K70 HydrophobicContact CG-CD 3.88Å; Y62-F189 HydrophobicContact CD1-CB 3.66Å; Y62-F189 HydrophobicContact CE1-CB 3.51Å; Y62-F189 HydrophobicContact CE1-CG 4.42Å; Y62-E190 HydrophobicContact CD1-CG 4.19Å; Y62-E190 HydrophobicContact CE1-CG 4.32Å
63	R	40.5	Very low	44.7	Very low	143 Å²	143	68.3 Å²	68.3	54%	0.54	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.3	-177.9	-98.5	-177.3	158.4	175.5	-10.8	109.5	D61	D61-R63 PolarHBondContact O-N 2.81Å
64	I	43.4	Very low	44.6	Very low	53 Å²	53	68.8 Å²	68.8	27%	0.272	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.3	159.4	-62.8	177.1	0	0	0	105.6	T67 I69 Y200	I64-T67 PolarHBondContact O-N 2.96Å; I64-I69 HydrophobicContact CD1-CD1 4Å; I64-I69 HydrophobicContact CG1-CD1 3.94Å; I64-Y200 WeakPolarHBondContact CD1-OH 3.38Å
65	N	58.8	Low	44.8	Very low	143 Å²	143	62.9 Å²	62.9	77%	0.765	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-137.1	-169.7	-55	-46.1	0	0	0	111.7	T67	N65-T67 VanDerWaalsContact C-N 3.27Å; N65-T67 PolarHBondContact O-N 2.91Å
66	N	45.9	Very low	45.3	Very low	145 Å²	145	63.2 Å²	63.2	78%	0.775	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.6	179	-76.3	-7.3	0	0	0	113.9
67	T	35.3	Very low	46.5	Very low	86 Å²	86	58.3 Å²	58.3	53%	0.528	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.7	-174.2	-54.4	0	0	0	0	111.3	I64 N65 I69	I64-T67 PolarHBondContact O-N 2.96Å; N65-T67 VanDerWaalsContact C-N 3.27Å; N65-T67 PolarHBondContact O-N 2.91Å; T67-I69 HydrophobicContact CG2-CG2 3.88Å
68	I	36.2	Very low	47.7	Very low	44 Å²	44	55.9 Å²	55.9	23%	0.226	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.5	167.4	-66.1	177.3	0	0	0	107.8	K57 D61	K57-I68 HydrophobicContact CG-CD1 4.33Å; D61-I68 VanDerWaalsContact OD2-CG1 3.31Å; D61-I68 WeakPolarHBondContact OD2-CG1 3.23Å; D61-I68 WeakPolarHBondContact OD2-CG2 3.47Å
69	I	44.9	Very low	48.8	Very low	40 Å²	40	57.5 Å²	57.5	21%	0.205	28%	0.284	C	S	.	.			trans	-105.9	-4.1	-174.4	49	161.2	0	0	0	114.4	Y62 I64 T67 Y200	Y62-I69 WeakPolarHBondContact O-CG1 3.27Å; I64-I69 HydrophobicContact CD1-CD1 4Å; I64-I69 HydrophobicContact CG1-CD1 3.94Å; T67-I69 HydrophobicContact CG2-CG2 3.88Å; I69-Y200 HydrophobicContact CD1-CE1 3.9Å; I69-Y200 WeakPolarHBondContact CD1-OH 3.44Å
70	K	45.5	Very low	49.9	Very low	8 Å²	8	55.5 Å²	55.5	4%	0.035	28%	0.276	C	S	.	.			trans	-132.2	168.8	-173.5	-58.2	-155.2	179.3	-140.2	0	114.3	N60 Y62 F189 R209 D211	N60-K70 WeakPolarHBondContact O-CB 3.42Å; Y62-K70 HydrophobicContact CD2-CD 3.5Å; Y62-K70 VanDerWaalsContact CD2-CD 3.5Å; Y62-K70 HydrophobicContact CD2-CG 4.5Å; Y62-K70 HydrophobicContact CE2-CD 4.18Å; Y62-K70 HydrophobicContact CG-CD 3.88Å; K70-F189 VanDerWaalsContact NZ-CD1 3.28Å; K70-R209 CarbonylContact C-O 3.52Å; K70-R209 WeakPolarHBondContact CA-O 3.39Å; K70-D211 WeakPolarHBondContact CA-OD1 3.26Å; K70-D211 WeakPolarHBondContact CB-OD1 3.34Å; K70-D211 VanDerWaalsContact CD-OD1 3.23Å; K70-D211 WeakPolarHBondContact CD-OD1 3.22Å; K70-D211 WeakPolarHBondContact CD-OD2 3.14Å; K70-D211 WeakPolarHBondContact CE-OD2 3.44Å; K70-D211 WeakPolarHBondContact CG-OD1 3.14Å; K70-D211 IonicContact NZ-OD2 3.75Å; K70-D211 PolarHBondContact NZ-OD2 3.26Å
71	H	39.7	Very low	50.9	Low	48 Å²	48	57.1 Å²	57.1	22%	0.222	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-154.3	143.2	170.3	-152.8	112.7	0	0	0	108.8	P58 P97 R209	P58-H71 HydrophobicContact CB-CB 4.5Å; P58-H71 HydrophobicContact CG-CB 4.34Å; P58-H71 VanDerWaalsContact CG-CE1 3.41Å; P58-H71 WeakPolarHBondContact CG-CE1 3.47Å; P58-H71 WeakPolarHBondContact CG-ND1 3.42Å; P58-H71 WeakPolarHBondContact CG-NE2 3.45Å; H71-P97 VanDerWaalsContact CE1-CB 3.44Å; H71-P97 WeakPolarHBondContact CE1-CB 3.28Å; H71-P97 VanDerWaalsContact CE1-CG 3.48Å; H71-P97 WeakPolarHBondContact CE1-CG 3.42Å; H71-P97 WeakPolarHBondContact NE2-CB 3.05Å; H71-R209 HydrophobicContact CB-CB 3.7Å; H71-R209 WeakPolarHBondContact CB-O 3.48Å; H71-R209 PolarHBondContact N-O 2.88Å
72	T	48.4	Very low	51.5	Low	10 Å²	10	63.8 Å²	63.8	6%	0.061	32%	0.319	C	S	.	.			trans	-101.5	170.3	-166.4	49.3	0	0	0	0	113.5	P58 N60 H74 Y95	P58-T72 VanDerWaalsContact C-CG2 3.49Å; P58-T72 WeakPolarHBondContact CA-OG1 3.23Å; P58-T72 HydrophobicContact CB-CG2 3.86Å; P58-T72 VanDerWaalsContact CB-OG1 3.26Å; P58-T72 WeakPolarHBondContact CB-OG1 3.26Å; N60-T72 HydrophobicContact CB-CG2 3.64Å; N60-T72 VanDerWaalsContact N-CG2 3.33Å; T72-H74 WeakPolarHBondContact CB-ND1 3.09Å; T72-H74 PolarHBondContact O-N 3.06Å; T72-H74 WeakPolarHBondContact OG1-CB 3.32Å; T72-H74 PolarHBondContact OG1-ND1 2.72Å; T72-Y95 PolarHBondContact O-OH 2.04Å
73	R	55.4	Low	51.9	Low	36 Å²	36	62.3 Å²	62.3	14%	0.136	32%	0.316	C	S	.	.	S	Bend	trans	-70.7	34.5	167.3	-53.8	120.2	161	-135.2	-8.8	112.9	I87 E149 Y150 D151	R73-I87 HydrophobicContact CB-CD1 4.44Å; R73-I87 WeakPolarHBondContact O-CD1 3.32Å; R73-E149 HydrophobicContact CB-CG 4.32Å; R73-E149 WeakPolarHBondContact O-CA 3.35Å; R73-Y150 WeakPolarHBondContact CB-O 3.37Å; R73-Y150 WeakPolarHBondContact CD-O 3.31Å; R73-Y150 WeakPolarHBondContact CG-O 3.06Å; R73-Y150 PolarHBondContact O-N 2.84Å; R73-Y150 VanDerWaalsContact O-N 3.17Å; R73-D151 IonicContact CZ-OD1 2.69Å; R73-D151 VanDerWaalsContact NH1-CG 3.35Å; R73-D151 IonicContact NH1-OD1 3.23Å; R73-D151 PolarHBondContact NH1-OD1 3.14Å; R73-D151 IonicContact NH1-OD2 3.96Å; R73-D151 IonicContact NH2-OD1 3.33Å
74	H	60.7	Low	52.3	Low	14 Å²	14	57.3 Å²	57.3	7%	0.065	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.2	-175.1	-64.9	156.1	0	0	0	112.1	W20 Q59 T72 R148 E149	W20-H74 AromaticContact CH2-CD2 3.7Å; W20-H74 AromaticContact CH2-NE2 3.46Å; W20-H74 WeakPolarHBondContact CH2-NE2 3.37Å; W20-H74 AromaticContact CZ2-CE1 3.65Å; W20-H74 AromaticContact CZ2-NE2 3.18Å; W20-H74 WeakPolarHBondContact CZ2-NE2 3.3Å; Q59-H74 PolarHBondContact N-CE1 3.48Å; T72-H74 WeakPolarHBondContact CB-ND1 3.09Å; T72-H74 PolarHBondContact O-N 3.06Å; T72-H74 WeakPolarHBondContact OG1-CB 3.32Å; T72-H74 PolarHBondContact OG1-ND1 2.72Å; H74-R148 CarbonylContact C-O 3.37Å; H74-R148 VanDerWaalsContact CA-O 3.31Å; H74-R148 WeakPolarHBondContact CA-O 3.45Å; H74-E149 WeakPolarHBondContact CD2-CB 2.73Å; H74-E149 VanDerWaalsContact CD2-CG 3.49Å; H74-E149 WeakPolarHBondContact CD2-CG 3.43Å; H74-E149 IonicContact CD2-OE2 3.61Å; H74-E149 VanDerWaalsContact NE2-CB 3.25Å; H74-E149 WeakPolarHBondContact NE2-CB 3.47Å; H74-E149 WeakPolarHBondContact NE2-CG 3.18Å; H74-E149 IonicContact NE2-OE1 2.79Å; H74-E149 PolarHBondContact NE2-OE1 3.47Å; H74-E149 IonicContact NE2-OE2 3.7Å; H74-E149 PolarHBondContact NE2-OE2 3.34Å
75	I	60.5	Low	52.6	Low	9 Å²	9	55.4 Å²	55.4	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.6	170.1	-36.8	178.8	0	0	0	110.1	L77 C85 I87 M147 R148 Y150	I75-L77 PolarHBondContact O-N 3.3Å; I75-C85 WeakPolarHBondContact CD1-O 3.05Å; I75-C85 HydrophobicContact CG2-CB 3.59Å; I75-C85 VanDerWaalsContact CG2-O 3.32Å; I75-C85 WeakPolarHBondContact CG2-O 3.06Å; I75-I87 HydrophobicContact CD1-CB 3.66Å; I75-I87 HydrophobicContact CD1-CD1 4.02Å; I75-I87 HydrophobicContact CD1-CG1 3.71Å; I75-I87 HydrophobicContact CG1-CB 4.34Å; I75-I87 HydrophobicContact CG1-CD1 3.8Å; I75-I87 HydrophobicContact CG1-CG1 3.81Å; I75-M147 CarbonylContact O-C 3.2Å; I75-M147 WeakPolarHBondContact O-CA 3.35Å; I75-R148 PolarHBondContact N-O 3.03Å; I75-R148 PolarHBondContact O-N 3.08Å; I75-Y150 HydrophobicContact CD1-CD2 4.23Å; I75-Y150 HydrophobicContact CD1-CE2 3.55Å; I75-Y150 HydrophobicContact CG1-CE2 4.3Å
76	R	60.5	Low	52	Low	63 Å²	63	54.4 Å²	54.4	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	117	161.5	-178.2	-171.2	-63.1	-107.8	1.1	111	T78 D98 T144	R76-T78 HydrophobicContact CG-CG2 4.09Å; R76-D98 WeakPolarHBondContact CB-OD1 3.35Å; R76-D98 WeakPolarHBondContact CD-OD1 3.38Å; R76-D98 IonicContact CZ-OD1 3.25Å; R76-D98 IonicContact CZ-OD2 3.28Å; R76-D98 IonicContact NE-OD1 3.12Å; R76-D98 PolarHBondContact NE-OD1 3.06Å; R76-D98 IonicContact NE-OD2 2.71Å; R76-D98 PolarHBondContact NE-OD2 3.33Å; R76-D98 IonicContact NH2-OD1 2.69Å; R76-D98 IonicContact NH2-OD2 2.95Å; R76-D98 PolarHBondContact NH2-OD2 3.24Å; R76-T144 VanDerWaalsContact CD-OG1 3.3Å; R76-T144 WeakPolarHBondContact CD-OG1 3.41Å; R76-T144 HydrophobicContact CG-CG2 3.66Å; R76-T144 PolarHBondContact NH1-OG1 2.8Å
77	L	64.2	Low	52.1	Low	37 Å²	37	49.8 Å²	49.8	19%	0.194	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.9	167.1	170.1	62.7	0	0	0	108.9	I75 E84 K145 G146	I75-L77 PolarHBondContact O-N 3.3Å; L77-E84 WeakPolarHBondContact CD1-OE1 3.47Å; L77-K145 PolarHBondContact O-N 2.98Å; L77-G146 PolarHBondContact N-O 2.99Å; L77-G146 PolarHBondContact O-N 3.46Å; L77-G146 VanDerWaalsContact O-N 3.17Å
78	T	62.2	Low	52.9	Low	5 Å²	5	47 Å²	47	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	164.2	-173.7	49.9	0	0	0	0	114.3	R76 N80 E84 A134 L143	R76-T78 HydrophobicContact CG-CG2 4.09Å; T78-N80 WeakPolarHBondContact CB-O 3.26Å; T78-N80 PolarHBondContact OG1-O 3.43Å; T78-E84 WeakPolarHBondContact OG1-CA 3.49Å; T78-E84 VanDerWaalsContact OG1-CB 3.25Å; T78-E84 WeakPolarHBondContact OG1-CB 3.3Å; T78-E84 PolarHBondContact OG1-N 3.13Å; T78-A134 HydrophobicContact CG2-CB 3.96Å; T78-L143 CarbonylContact C-O 3.45Å; T78-L143 WeakPolarHBondContact CA-O 3.38Å; T78-L143 WeakPolarHBondContact CB-O 3.17Å; T78-L143 WeakPolarHBondContact CG2-O 3.18Å
79	S	61.3	Low	53.5	Low	49 Å²	49	45.4 Å²	45.4	34%	0.343	23%	0.231	S	C	.	.	S	Bend	trans	-80.5	-34.6	174.2	62.8	0	0	0	0	113.1	L143	S79-L143 PolarHBondContact N-O 2.9Å; S79-L143 WeakPolarHBondContact OG-CA 3.42Å; S79-L143 WeakPolarHBondContact OG-CD2 3.4Å
80	N	61.7	Low	53.6	Low	50 Å²	50	45.2 Å²	45.2	27%	0.267	23%	0.23	S	C	.	.	S	Bend	trans	-93.8	119.5	163.1	-175.4	1	0	0	0	109.2	T78 E82 M83	T78-N80 WeakPolarHBondContact CB-O 3.26Å; T78-N80 PolarHBondContact OG1-O 3.43Å; N80-E82 VanDerWaalsContact C-N 3.3Å; N80-E82 PolarHBondContact ND2-OE2 2.79Å; N80-E82 PolarHBondContact O-N 2.04Å; N80-E82 WeakPolarHBondContact OD1-CB 3.4Å; N80-E82 WeakPolarHBondContact OD1-CG 3.4Å; N80-E82 PolarHBondContact OD1-N 3.24Å; N80-M83 HydrophobicContact CB-CG 4.31Å; N80-M83 PolarHBondContact O-N 2.98Å
81	T	60.3	Low	53.6	Low	109 Å²	109	46.4 Å²	46.4	67%	0.669	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-69.1	-24.6	177.2	45.9	0	0	0	0	113.4	M83 E84	T81-M83 PolarHBondContact O-N 2.89Å; T81-E84 WeakPolarHBondContact O-CB 3.38Å; T81-E84 PolarHBondContact O-N 2.94Å
82	E	54.1	Low	54.1	Low	158 Å²	158	49.2 Å²	49.2	74%	0.738	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-69.3	-19.8	175.1	-56.8	173.3	151.9	0	0	112.4	N80	N80-E82 VanDerWaalsContact C-N 3.3Å; N80-E82 PolarHBondContact ND2-OE2 2.79Å; N80-E82 PolarHBondContact O-N 2.04Å; N80-E82 WeakPolarHBondContact OD1-CB 3.4Å; N80-E82 WeakPolarHBondContact OD1-CG 3.4Å; N80-E82 PolarHBondContact OD1-N 3.24Å
83	M	49.6	Very low	53.8	Low	59 Å²	59	49.8 Å²	49.8	29%	0.291	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-108	13.4	176.8	-52.9	-175.1	84.3	0	0	112.2	N80 T81 A134 L143	N80-M83 HydrophobicContact CB-CG 4.31Å; N80-M83 PolarHBondContact O-N 2.98Å; T81-M83 PolarHBondContact O-N 2.89Å; M83-A134 HydrophobicContact CB-CB 4.04Å; M83-A134 HydrophobicContact CE-CB 4.44Å; M83-L143 HydrophobicContact CE-CD1 4.47Å; M83-L143 HydrophobicContact SD-CD1 3.67Å
84	E	50.6	Low	53.3	Low	37 Å²	37	51 Å²	51	17%	0.173	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-77.3	126.3	175.2	-160.8	-171.2	-147.3	0	0	109.8	L77 T78 T81 Q86 R148	L77-E84 WeakPolarHBondContact CD1-OE1 3.47Å; T78-E84 WeakPolarHBondContact OG1-CA 3.49Å; T78-E84 VanDerWaalsContact OG1-CB 3.25Å; T78-E84 WeakPolarHBondContact OG1-CB 3.3Å; T78-E84 PolarHBondContact OG1-N 3.13Å; T81-E84 WeakPolarHBondContact O-CB 3.38Å; T81-E84 PolarHBondContact O-N 2.94Å; E84-Q86 PolarHBondContact O-N 2.75Å; E84-R148 IonicContact OE1-CZ 3.08Å; E84-R148 IonicContact OE1-NE 3.78Å; E84-R148 IonicContact OE1-NH1 3.78Å; E84-R148 PolarHBondContact OE1-NH1 3.14Å; E84-R148 VanDerWaalsContact OE1-NH1 3.08Å; E84-R148 IonicContact OE1-NH2 2.89Å; E84-R148 PolarHBondContact OE1-NH2 3Å; E84-R148 IonicContact OE2-CZ 2.72Å; E84-R148 IonicContact OE2-NH1 3.14Å; E84-R148 PolarHBondContact OE2-NH1 2.85Å; E84-R148 IonicContact OE2-NH2 3.19Å; E84-R148 PolarHBondContact OE2-NH2 2.93Å
85	C	48.1	Very low	52.7	Low	13 Å²	13	51 Å²	51	9%	0.088	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-66.7	133.6	172.5	-63	0	0	0	0	109.3	I75 R148	I75-C85 WeakPolarHBondContact CD1-O 3.05Å; I75-C85 HydrophobicContact CG2-CB 3.59Å; I75-C85 VanDerWaalsContact CG2-O 3.32Å; I75-C85 WeakPolarHBondContact CG2-O 3.06Å; C85-R148 PolarHBondContact O-NH2 3.16Å
86	Q	47.5	Very low	52.2	Low	122 Å²	122	51.2 Å²	51.2	57%	0.57	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-90.4	159	171.5	-64.2	-175.6	10.1	0	0	109.8	E84 P88	E84-Q86 PolarHBondContact O-N 2.75Å; Q86-P88 VanDerWaalsContact O-CA 3.29Å; Q86-P88 WeakPolarHBondContact O-CA 3.49Å
87	I	47.7	Very low	51.6	Low	48 Å²	48	50.3 Å²	50.3	25%	0.246	27%	0.267	C	S	.	.	S	Bend	trans	-85	126.6	179.2	-126	165.7	0	0	0	110.9	R73 I75 Y150	R73-I87 HydrophobicContact CB-CD1 4.44Å; R73-I87 WeakPolarHBondContact O-CD1 3.32Å; I75-I87 HydrophobicContact CD1-CB 3.66Å; I75-I87 HydrophobicContact CD1-CD1 4.02Å; I75-I87 HydrophobicContact CD1-CG1 3.71Å; I75-I87 HydrophobicContact CG1-CB 4.34Å; I75-I87 HydrophobicContact CG1-CD1 3.8Å; I75-I87 HydrophobicContact CG1-CG1 3.81Å; I87-Y150 HydrophobicContact CB-CD2 4.2Å; I87-Y150 HydrophobicContact CB-CE2 4.11Å; I87-Y150 HydrophobicContact CB-CG 4.49Å; I87-Y150 HydrophobicContact CD1-CD2 3.53Å; I87-Y150 HydrophobicContact CD1-CE2 4.17Å; I87-Y150 HydrophobicContact CD1-CG 3.93Å; I87-Y150 HydrophobicContact CG1-CD2 4.39Å; I87-Y150 HydrophobicContact CG2-CD1 4.11Å; I87-Y150 HydrophobicContact CG2-CD2 4.37Å; I87-Y150 HydrophobicContact CG2-CE1 4.26Å; I87-Y150 HydrophobicContact CG2-CG 4.16Å
88	P	51.4	Low	51.1	Low	28 Å²	28	50.6 Å²	50.6	18%	0.182	27%	0.269	C	S	.	.			cis	-122.3	162.7	-35	26.2	-7.7	0	0	0	113.1	Q86 I90 Y95 Y204	Q86-P88 VanDerWaalsContact O-CA 3.29Å; Q86-P88 WeakPolarHBondContact O-CA 3.49Å; P88-I90 VanDerWaalsContact C-N 3.34Å; P88-I90 HydrophobicContact CB-CG1 4.47Å; P88-I90 HydrophobicContact CG-CD1 3.74Å; P88-I90 HydrophobicContact CG-CG1 3.96Å; P88-I90 WeakPolarHBondContact O-CG1 3.45Å; P88-I90 PolarHBondContact O-N 3.14Å; P88-Y95 HydrophobicContact CB-CD2 3.43Å; P88-Y95 VanDerWaalsContact CB-CD2 3.43Å; P88-Y95 HydrophobicContact CB-CE2 3.39Å; P88-Y95 HydrophobicContact CG-CD2 3.65Å; P88-Y95 HydrophobicContact CG-CE2 3.82Å; P88-Y204 WeakPolarHBondContact CG-OH 3.17Å
89	T	49	Very low	50.6	Low	10 Å²	10	51.5 Å²	51.5	6%	0.061	28%	0.275	C	S	.	.			trans	-58.4	90.7	169	-45.8	0	0	0	0	110.8	Y95 Y96 F100 T123	T89-Y95 WeakPolarHBondContact O-CA 3.37Å; T89-Y96 HydrophobicContact CG2-CD2 4.09Å; T89-Y96 PolarHBondContact O-N 3.48Å; T89-F100 HydrophobicContact CG2-CD1 4.31Å; T89-F100 HydrophobicContact CG2-CE1 3.77Å; T89-T123 HydrophobicContact CG2-CG2 3.63Å; T89-T123 WeakPolarHBondContact CG2-OG1 3.33Å; T89-T123 PolarHBondContact OG1-OG1 2.89Å
90	I	46.4	Very low	50.4	Low	36 Å²	36	49.3 Å²	49.3	19%	0.185	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122	177.8	-60	154.4	0	0	0	108.1	P88 I94 Y204 P284	P88-I90 VanDerWaalsContact C-N 3.34Å; P88-I90 HydrophobicContact CB-CG1 4.47Å; P88-I90 HydrophobicContact CG-CD1 3.74Å; P88-I90 HydrophobicContact CG-CG1 3.96Å; P88-I90 WeakPolarHBondContact O-CG1 3.45Å; P88-I90 PolarHBondContact O-N 3.14Å; I90-I94 WeakPolarHBondContact CA-O 3.31Å; I90-Y204 HydrophobicContact CD1-CD1 4.17Å; I90-Y204 HydrophobicContact CD1-CE1 3.36Å; I90-Y204 HydrophobicContact CG1-CD1 3.98Å; I90-Y204 HydrophobicContact CG1-CE1 3.54Å; I90-Y204 HydrophobicContact CG2-CD1 4.18Å; I90-Y204 HydrophobicContact CG2-CE1 4.45Å; I90-P284 HydrophobicContact CD1-CB 3.43Å; I90-P284 VanDerWaalsContact CD1-CB 3.43Å
91	F	46.5	Very low	50.1	Low	33 Å²	33	50.8 Å²	50.8	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	132.7	174.1	-161.4	-86.7	0	0	0	109.3	G93 I94 Y96 P106 N108 M109 I128	F91-G93 PolarHBondContact O-N 2.85Å; F91-G93 VanDerWaalsContact O-N 3.11Å; F91-I94 PolarHBondContact N-O 2.94Å; F91-I94 WeakPolarHBondContact O-CB 3.33Å; F91-I94 PolarHBondContact O-N 3.45Å; F91-Y96 HydrophobicContact CB-CE2 4.34Å; F91-P106 HydrophobicContact CB-CG 4.35Å; F91-P106 HydrophobicContact CD1-CB 3.37Å; F91-P106 HydrophobicContact CD1-CG 3.48Å; F91-P106 VanDerWaalsContact CD1-CG 3.48Å; F91-P106 HydrophobicContact CE1-CB 3.49Å; F91-P106 VanDerWaalsContact CE1-CB 3.49Å; F91-P106 HydrophobicContact CE1-CG 4.14Å; F91-P106 HydrophobicContact CG-CB 4.46Å; F91-P106 HydrophobicContact CG-CG 4.23Å; F91-N108 HydrophobicContact CE1-CB 4.14Å; F91-N108 HydrophobicContact CZ-CB 4.02Å; F91-M109 HydrophobicContact CB-CE 3.89Å; F91-M109 HydrophobicContact CD1-CG 4.24Å; F91-M109 HydrophobicContact CD2-CE 3.69Å; F91-M109 HydrophobicContact CD2-CG 4.02Å; F91-M109 HydrophobicContact CD2-SD 4.45Å; F91-M109 HydrophobicContact CE1-CG 4.06Å; F91-M109 HydrophobicContact CE2-CE 4.39Å; F91-M109 HydrophobicContact CE2-CG 3.86Å; F91-M109 HydrophobicContact CG-CE 3.84Å; F91-M109 HydrophobicContact CG-CG 4.19Å; F91-M109 HydrophobicContact CG-SD 4.3Å; F91-M109 HydrophobicContact CZ-CG 3.87Å; F91-I128 HydrophobicContact CE2-CG1 4.49Å; F91-I128 HydrophobicContact CE2-CG2 3.78Å; F91-I128 HydrophobicContact CZ-CG2 4.2Å
92	E	49.2	Very low	50.1	Low	108 Å²	108	50.1 Å²	50.1	51%	0.505	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	36.3	-179.4	-70.8	171.4	-173.6	0	0	114.2	I94 N108	E92-I94 VanDerWaalsContact C-N 3.29Å; E92-I94 PolarHBondContact O-N 3.16Å; E92-N108 PolarHBondContact OE1-ND2 2.94Å
93	G	43.1	Very low	50.5	Low	21 Å²	21	51 Å²	51	22%	0.216	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	16.4	-178.2	0	0	0	0	0	114.5	F91 Y204	F91-G93 PolarHBondContact O-N 2.85Å; F91-G93 VanDerWaalsContact O-N 3.11Å; G93-Y204 CarbonylContact O-C 3.5Å; G93-Y204 WeakPolarHBondContact O-CA 3.48Å; G93-Y204 VanDerWaalsContact O-CB 3.25Å; G93-Y204 WeakPolarHBondContact O-CB 3.03Å
94	I	45.2	Very low	51.1	Low	62 Å²	62	53.2 Å²	53.2	32%	0.318	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.2	174	-53.5	175.9	0	0	0	108.9	I90 F91 E92 Y96 T208	I90-I94 WeakPolarHBondContact CA-O 3.31Å; F91-I94 PolarHBondContact N-O 2.94Å; F91-I94 WeakPolarHBondContact O-CB 3.33Å; F91-I94 PolarHBondContact O-N 3.45Å; E92-I94 VanDerWaalsContact C-N 3.29Å; E92-I94 PolarHBondContact O-N 3.16Å; I94-Y96 HydrophobicContact CB-CE2 3.86Å; I94-Y96 HydrophobicContact CG2-CD1 4.17Å; I94-Y96 HydrophobicContact CG2-CD2 4.26Å; I94-Y96 HydrophobicContact CG2-CE1 3.69Å; I94-Y96 HydrophobicContact CG2-CE2 3.74Å; I94-Y96 HydrophobicContact CG2-CG 4.48Å; I94-Y96 VanDerWaalsContact CG2-CZ 3.47Å; I94-Y96 WeakPolarHBondContact O-CD2 3.25Å; I94-Y96 WeakPolarHBondContact O-CE2 3.33Å; I94-T208 HydrophobicContact CG2-CG2 4.1Å
95	Y	47.8	Very low	51.6	Low	14 Å²	14	53.2 Å²	53.2	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.2	165.5	160.3	-86.3	0	0	0	110.4	T72 P88 T89 P97 Y204 T208 S210	T72-Y95 PolarHBondContact O-OH 2.04Å; P88-Y95 HydrophobicContact CB-CD2 3.43Å; P88-Y95 VanDerWaalsContact CB-CD2 3.43Å; P88-Y95 HydrophobicContact CB-CE2 3.39Å; P88-Y95 HydrophobicContact CG-CD2 3.65Å; P88-Y95 HydrophobicContact CG-CE2 3.82Å; T89-Y95 WeakPolarHBondContact O-CA 3.37Å; Y95-P97 HydrophobicContact CD1-CB 4.37Å; Y95-P97 HydrophobicContact CD1-CG 4.29Å; Y95-P97 HydrophobicContact CE1-CB 3.45Å; Y95-P97 VanDerWaalsContact CE1-CB 3.45Å; Y95-P97 HydrophobicContact CE1-CG 3.74Å; Y95-Y204 HydrophobicContact CD1-CD2 4.32Å; Y95-Y204 HydrophobicContact CD1-CE2 4.24Å; Y95-Y204 HydrophobicContact CD2-CD2 4.14Å; Y95-Y204 AromaticContact CD2-CE2 3.44Å; Y95-Y204 HydrophobicContact CD2-CE2 3.44Å; Y95-Y204 VanDerWaalsContact CD2-CE2 3.44Å; Y95-Y204 AromaticContact CD2-CZ 3.77Å; Y95-Y204 HydrophobicContact CE2-CE2 4.29Å; Y95-Y204 AromaticContact CG-CD2 3.65Å; Y95-Y204 HydrophobicContact CG-CD2 3.65Å; Y95-Y204 AromaticContact CG-CE2 3.43Å; Y95-Y204 HydrophobicContact CG-CE2 3.43Å; Y95-Y204 VanDerWaalsContact CG-CE2 3.43Å; Y95-Y204 HydrophobicContact CG-CG 4.43Å; Y95-T208 WeakPolarHBondContact O-CG2 3.25Å; Y95-S210 WeakPolarHBondContact CD1-OG 3.12Å; Y95-S210 WeakPolarHBondContact CE1-OG 3.45Å
96	Y	49.7	Very low	52.3	Low	13 Å²	13	53.1 Å²	53.1	5%	0.051	27%	0.269	C	S	.	.			trans	-109.5	103.2	174.6	-59.1	-84.1	0	0	0	108.9	T89 F91 I94 D98 F100 Q104 P106	T89-Y96 HydrophobicContact CG2-CD2 4.09Å; T89-Y96 PolarHBondContact O-N 3.48Å; F91-Y96 HydrophobicContact CB-CE2 4.34Å; I94-Y96 HydrophobicContact CB-CE2 3.86Å; I94-Y96 HydrophobicContact CG2-CD1 4.17Å; I94-Y96 HydrophobicContact CG2-CD2 4.26Å; I94-Y96 HydrophobicContact CG2-CE1 3.69Å; I94-Y96 HydrophobicContact CG2-CE2 3.74Å; I94-Y96 HydrophobicContact CG2-CG 4.48Å; I94-Y96 VanDerWaalsContact CG2-CZ 3.47Å; I94-Y96 WeakPolarHBondContact O-CD2 3.25Å; I94-Y96 WeakPolarHBondContact O-CE2 3.33Å; Y96-D98 PolarHBondContact O-N 3.2Å; Y96-F100 HydrophobicContact CD1-CB 3.38Å; Y96-F100 AromaticContact CD1-CD1 3.83Å; Y96-F100 HydrophobicContact CD1-CD1 3.83Å; Y96-F100 AromaticContact CD1-CG 3.83Å; Y96-F100 HydrophobicContact CD1-CG 3.83Å; Y96-F100 HydrophobicContact CD2-CD1 4.11Å; Y96-F100 HydrophobicContact CD2-CE1 4.43Å; Y96-F100 HydrophobicContact CE1-CB 3.96Å; Y96-F100 HydrophobicContact CE1-CD1 4.49Å; Y96-F100 HydrophobicContact CE1-CG 4.26Å; Y96-F100 HydrophobicContact CG-CB 3.99Å; Y96-F100 AromaticContact CG-CD1 3.56Å; Y96-F100 HydrophobicContact CG-CD1 3.56Å; Y96-F100 HydrophobicContact CG-CE1 4.3Å; Y96-F100 HydrophobicContact CG-CG 4.06Å; Y96-Q104 HydrophobicContact CE1-CB 4.32Å; Y96-Q104 PolarHBondContact OH-O 3.36Å; Y96-P106 HydrophobicContact CE2-CG 4.49Å; Y96-P106 VanDerWaalsContact OH-CD 3.32Å; Y96-P106 WeakPolarHBondContact OH-CD 3.49Å; Y96-P106 VanDerWaalsContact OH-CG 3.24Å; Y96-P106 WeakPolarHBondContact OH-CG 3.36Å
97	P	48.4	Very low	53.1	Low	44 Å²	44	57 Å²	57	29%	0.286	28%	0.284	S	S	.	.	S	Bend	trans	-66.6	127.5	176.2	22.4	-25.6	0	0	0	109.1	H71 Y95 C99	H71-P97 VanDerWaalsContact CE1-CB 3.44Å; H71-P97 WeakPolarHBondContact CE1-CB 3.28Å; H71-P97 VanDerWaalsContact CE1-CG 3.48Å; H71-P97 WeakPolarHBondContact CE1-CG 3.42Å; H71-P97 WeakPolarHBondContact NE2-CB 3.05Å; Y95-P97 HydrophobicContact CD1-CB 4.37Å; Y95-P97 HydrophobicContact CD1-CG 4.29Å; Y95-P97 HydrophobicContact CE1-CB 3.45Å; Y95-P97 VanDerWaalsContact CE1-CB 3.45Å; Y95-P97 HydrophobicContact CE1-CG 3.74Å; P97-C99 VanDerWaalsContact C-N 3.31Å; P97-C99 PolarHBondContact O-N 3.26Å
98	D	52.4	Low	53.9	Low	43 Å²	43	60 Å²	60	23%	0.23	30%	0.301	C	S	.	.	S	Bend	trans	62.6	-87.6	178.2	-160	9.3	0	0	0	110.6	R76 Y96 C122	R76-D98 WeakPolarHBondContact CB-OD1 3.35Å; R76-D98 WeakPolarHBondContact CD-OD1 3.38Å; R76-D98 IonicContact CZ-OD1 3.25Å; R76-D98 IonicContact CZ-OD2 3.28Å; R76-D98 IonicContact NE-OD1 3.12Å; R76-D98 PolarHBondContact NE-OD1 3.06Å; R76-D98 IonicContact NE-OD2 2.71Å; R76-D98 PolarHBondContact NE-OD2 3.33Å; R76-D98 IonicContact NH2-OD1 2.69Å; R76-D98 IonicContact NH2-OD2 2.95Å; R76-D98 PolarHBondContact NH2-OD2 3.24Å; Y96-D98 PolarHBondContact O-N 3.2Å; D98-C122 WeakPolarHBondContact O-CB 3.4Å
99	C	53.4	Low	54.4	Low	24 Å²	24	59.3 Å²	59.3	16%	0.162	30%	0.295	C	S	.	.			trans	-149.5	150	-177.2	-55.9	0	0	0	0	113	P97 F121 C122 C133	P97-C99 VanDerWaalsContact C-N 3.31Å; P97-C99 PolarHBondContact O-N 3.26Å; C99-F121 CarbonylContact C-O 3.57Å; C99-F121 VanDerWaalsContact CA-O 3.25Å; C99-F121 WeakPolarHBondContact CA-O 3.5Å; C99-F121 VanDerWaalsContact CB-O 3.23Å; C99-F121 WeakPolarHBondContact CB-O 3.48Å; C99-C122 HydrophobicContact CB-CB 3.85Å; C99-C122 WeakPolarHBondContact CB-SG 3.15Å; C99-C122 WeakPolarHBondContact SG-CB 3.43Å; C99-C122 CovalentContact SG-SG 2.04Å; C99-C122 PolarHBondContact SG-SG 3.08Å; C99-C133 HydrophobicContact CB-CB 4.32Å; C99-C133 WeakPolarHBondContact CB-SG 2.93Å; C99-C133 PolarHBondContact SG-SG 3.1Å
100	F	55.8	Low	54.9	Low	3 Å²	3	65.8 Å²	65.8	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.5	-171	52.5	-100.7	0	0	0	113.8	T89 Y96 I105 M109 F120 F121 I130	T89-F100 HydrophobicContact CG2-CD1 4.31Å; T89-F100 HydrophobicContact CG2-CE1 3.77Å; Y96-F100 HydrophobicContact CD1-CB 3.38Å; Y96-F100 AromaticContact CD1-CD1 3.83Å; Y96-F100 HydrophobicContact CD1-CD1 3.83Å; Y96-F100 AromaticContact CD1-CG 3.83Å; Y96-F100 HydrophobicContact CD1-CG 3.83Å; Y96-F100 HydrophobicContact CD2-CD1 4.11Å; Y96-F100 HydrophobicContact CD2-CE1 4.43Å; Y96-F100 HydrophobicContact CE1-CB 3.96Å; Y96-F100 HydrophobicContact CE1-CD1 4.49Å; Y96-F100 HydrophobicContact CE1-CG 4.26Å; Y96-F100 HydrophobicContact CG-CB 3.99Å; Y96-F100 AromaticContact CG-CD1 3.56Å; Y96-F100 HydrophobicContact CG-CD1 3.56Å; Y96-F100 HydrophobicContact CG-CE1 4.3Å; Y96-F100 HydrophobicContact CG-CG 4.06Å; F100-I105 HydrophobicContact CD2-CD1 4.41Å; F100-I105 HydrophobicContact CD2-CG1 3.82Å; F100-I105 HydrophobicContact CE2-CD1 3.91Å; F100-I105 HydrophobicContact CE2-CG1 3.6Å; F100-M109 HydrophobicContact CZ-CE 4.4Å; F100-M109 HydrophobicContact CZ-SD 4.12Å; F100-F120 CarbonylContact O-C 3.1Å; F100-F120 VanDerWaalsContact O-CA 3.25Å; F100-F120 WeakPolarHBondContact O-CA 3.32Å; F100-F121 WeakPolarHBondContact CD1-O 3.4Å; F100-F121 HydrophobicContact CD2-CB 4.18Å; F100-F121 HydrophobicContact CE2-CB 3.81Å; F100-F121 HydrophobicContact CZ-CB 4.39Å; F100-F121 PolarHBondContact N-O 2.83Å; F100-F121 PolarHBondContact O-N 3.18Å; F100-I130 HydrophobicContact CE1-CG2 4.2Å; F100-I130 HydrophobicContact CE2-CD1 3.95Å; F100-I130 HydrophobicContact CE2-CG2 3.88Å; F100-I130 HydrophobicContact CZ-CB 4.37Å; F100-I130 HydrophobicContact CZ-CD1 3.88Å; F100-I130 HydrophobicContact CZ-CG1 4.08Å; F100-I130 HydrophobicContact CZ-CG2 3.36Å
101	K	56	Low	55.4	Low	81 Å²	81	70.7 Å²	70.7	35%	0.352	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	153.3	176.5	-68	-173.2	175	-172.3	0	112.8	Q103 Q104 D119 F120	K101-Q103 PolarHBondContact O-N 3.14Å; K101-Q104 HydrophobicContact CB-CG 4.21Å; K101-Q104 WeakPolarHBondContact O-CA 3.24Å; K101-Q104 WeakPolarHBondContact O-CB 3.36Å; K101-Q104 PolarHBondContact O-N 3.26Å; K101-D119 CarbonylContact C-O 3.16Å; K101-D119 WeakPolarHBondContact CA-O 3.04Å; K101-F120 HydrophobicContact CG-CD1 4.07Å; K101-F120 HydrophobicContact CG-CE1 3.92Å; K101-F120 HydrophobicContact CG-CZ 4.38Å
102	L	60	Low	55.7	Low	96 Å²	96	73.9 Å²	73.9	50%	0.503	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-50.4	-34.3	171.1	-161.2	84.1	0	0	0	113.1	Q104 I105 D119 F121	L102-Q104 PolarHBondContact O-N 2.93Å; L102-I105 HydrophobicContact CD1-CD1 3.78Å; L102-I105 HydrophobicContact CG-CD1 4.29Å; L102-I105 WeakPolarHBondContact O-CG1 3.37Å; L102-I105 PolarHBondContact O-N 2.98Å; L102-D119 PolarHBondContact N-O 2.71Å; L102-F121 HydrophobicContact CB-CD2 4.4Å; L102-F121 HydrophobicContact CB-CE2 3.9Å; L102-F121 HydrophobicContact CD1-CD2 4.13Å; L102-F121 HydrophobicContact CD1-CE1 4.48Å; L102-F121 HydrophobicContact CD1-CE2 3.42Å; L102-F121 VanDerWaalsContact CD1-CE2 3.42Å; L102-F121 HydrophobicContact CD1-CZ 3.63Å; L102-F121 HydrophobicContact CG-CE2 4.27Å
103	Q	62.5	Low	55.8	Low	175 Å²	175	72.8 Å²	72.8	82%	0.818	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-74	-10	179.2	-65.7	167.6	-16	0	0	114	K101	K101-Q103 PolarHBondContact O-N 3.14Å
104	Q	61.6	Low	56.1	Low	106 Å²	106	78.3 Å²	78.3	50%	0.495	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-108.1	5.3	-179.4	-58.3	174.8	-82.7	0	0	112.1	Y96 K101 L102 P106	Y96-Q104 HydrophobicContact CE1-CB 4.32Å; Y96-Q104 PolarHBondContact OH-O 3.36Å; K101-Q104 HydrophobicContact CB-CG 4.21Å; K101-Q104 WeakPolarHBondContact O-CA 3.24Å; K101-Q104 WeakPolarHBondContact O-CB 3.36Å; K101-Q104 PolarHBondContact O-N 3.26Å; L102-Q104 PolarHBondContact O-N 2.93Å; Q104-P106 WeakPolarHBondContact O-CD 3.25Å
105	I	62.5	Low	56.3	Low	37 Å²	37	84.3 Å²	84.3	19%	0.19	42%	0.415	C	S	.	.			trans	-74.1	123.2	-176.2	-62.5	-170.4	0	0	0	110.4	F100 L102 K107 M109 F121 I130	F100-I105 HydrophobicContact CD2-CD1 4.41Å; F100-I105 HydrophobicContact CD2-CG1 3.82Å; F100-I105 HydrophobicContact CE2-CD1 3.91Å; F100-I105 HydrophobicContact CE2-CG1 3.6Å; L102-I105 HydrophobicContact CD1-CD1 3.78Å; L102-I105 HydrophobicContact CG-CD1 4.29Å; L102-I105 WeakPolarHBondContact O-CG1 3.37Å; L102-I105 PolarHBondContact O-N 2.98Å; I105-K107 PolarHBondContact O-N 2.87Å; I105-M109 HydrophobicContact CG2-CB 4.18Å; I105-M109 HydrophobicContact CG2-SD 4.46Å; I105-F121 HydrophobicContact CD1-CD2 4.36Å; I105-I130 HydrophobicContact CD1-CD1 3.98Å; I105-I130 HydrophobicContact CG2-CD1 4.04Å
106	P	61.7	Low	56.2	Low	11 Å²	11	88.8 Å²	88.8	7%	0.071	44%	0.435	C	S	.	.			trans	-58.3	133.5	167.5	-25.1	37.4	0	0	0	110.8	F91 Y96 Q104 N108 M109	F91-P106 HydrophobicContact CB-CG 4.35Å; F91-P106 HydrophobicContact CD1-CB 3.37Å; F91-P106 HydrophobicContact CD1-CG 3.48Å; F91-P106 VanDerWaalsContact CD1-CG 3.48Å; F91-P106 HydrophobicContact CE1-CB 3.49Å; F91-P106 VanDerWaalsContact CE1-CB 3.49Å; F91-P106 HydrophobicContact CE1-CG 4.14Å; F91-P106 HydrophobicContact CG-CB 4.46Å; F91-P106 HydrophobicContact CG-CG 4.23Å; Y96-P106 HydrophobicContact CE2-CG 4.49Å; Y96-P106 VanDerWaalsContact OH-CD 3.32Å; Y96-P106 WeakPolarHBondContact OH-CD 3.49Å; Y96-P106 VanDerWaalsContact OH-CG 3.24Å; Y96-P106 WeakPolarHBondContact OH-CG 3.36Å; Q104-P106 WeakPolarHBondContact O-CD 3.25Å; P106-N108 PolarHBondContact O-N 3.18Å; P106-M109 HydrophobicContact CB-CG 4.49Å; P106-M109 HydrophobicContact CG-SD 4.27Å; P106-M109 PolarHBondContact O-N 3.16Å; P106-M109 VanDerWaalsContact O-N 3.12Å
107	K	64.7	Low	56.4	Low	204 Å²	204	98.6 Å²	98.6	89%	0.887	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.7	-171.3	-63.9	178.3	-178	173.2	0	114.9	I105	I105-K107 PolarHBondContact O-N 2.87Å
108	N	64	Low	56.6	Low	110 Å²	110	97 Å²	97	59%	0.588	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-8.1	-171.6	-58.2	-33	0	0	0	113.3	F91 E92 P106	F91-N108 HydrophobicContact CE1-CB 4.14Å; F91-N108 HydrophobicContact CZ-CB 4.02Å; E92-N108 PolarHBondContact OE1-ND2 2.94Å; P106-N108 PolarHBondContact O-N 3.18Å
109	M	62.2	Low	56.8	Low	15 Å²	15	100.1 Å²	100.1	7%	0.074	48%	0.484	C	S	.	.			trans	-78.5	141.4	176.3	-69.9	-179.1	129.7	0	0	112.6	F91 F100 I105 P106 T123 I128 I130	F91-M109 HydrophobicContact CB-CE 3.89Å; F91-M109 HydrophobicContact CD1-CG 4.24Å; F91-M109 HydrophobicContact CD2-CE 3.69Å; F91-M109 HydrophobicContact CD2-CG 4.02Å; F91-M109 HydrophobicContact CD2-SD 4.45Å; F91-M109 HydrophobicContact CE1-CG 4.06Å; F91-M109 HydrophobicContact CE2-CE 4.39Å; F91-M109 HydrophobicContact CE2-CG 3.86Å; F91-M109 HydrophobicContact CG-CE 3.84Å; F91-M109 HydrophobicContact CG-CG 4.19Å; F91-M109 HydrophobicContact CG-SD 4.3Å; F91-M109 HydrophobicContact CZ-CG 3.87Å; F100-M109 HydrophobicContact CZ-CE 4.4Å; F100-M109 HydrophobicContact CZ-SD 4.12Å; I105-M109 HydrophobicContact CG2-CB 4.18Å; I105-M109 HydrophobicContact CG2-SD 4.46Å; P106-M109 HydrophobicContact CB-CG 4.49Å; P106-M109 HydrophobicContact CG-SD 4.27Å; P106-M109 PolarHBondContact O-N 3.16Å; P106-M109 VanDerWaalsContact O-N 3.12Å; M109-T123 HydrophobicContact CE-CG2 3.44Å; M109-T123 VanDerWaalsContact CE-CG2 3.44Å; M109-I128 HydrophobicContact CG-CG2 4.39Å; M109-I130 HydrophobicContact CB-CD1 3.7Å; M109-I130 HydrophobicContact CB-CG1 4.14Å; M109-I130 HydrophobicContact CE-CG1 4.36Å; M109-I130 HydrophobicContact CG-CD1 4.34Å; M109-I130 HydrophobicContact SD-CD1 3.74Å; M109-I130 HydrophobicContact SD-CG1 4Å
110	K	58.7	Low	56.9	Low	146 Å²	146	103.1 Å²	103.1	64%	0.635	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.6	172.3	-65	176	-177.7	171.1	0	110.1	I128 E129 I130	K110-I128 WeakPolarHBondContact CB-O 3.47Å; K110-I128 PolarHBondContact N-O 3.49Å; K110-E129 HydrophobicContact CB-CG 4.47Å; K110-E129 WeakPolarHBondContact O-CA 3.11Å; K110-I130 PolarHBondContact O-N 3.41Å
111	Y	58.4	Low	57	Low	138 Å²	138	104 Å²	104	54%	0.541	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.8	-178.9	69.4	-89.2	0	0	0	110.8	S113	Y111-S113 WeakPolarHBondContact CE2-OG 2.64Å; Y111-S113 PolarHBondContact O-N 2.85Å
112	T	53.1	Low	56.9	Low	100 Å²	100	100.6 Å²	100.6	61%	0.613	49%	0.485	S	S	*	.			trans	-106.6	64.2	-171	-45.4	0	0	0	0	110.8	N114	T112-N114 VanDerWaalsContact C-N 3.3Å; T112-N114 PolarHBondContact O-N 3.29Å
113	S	51.1	Low	56.6	Low	85 Å²	85	97.6 Å²	97.6	59%	0.594	47%	0.47	S	S	*	.			trans	-72.9	67.3	-168.1	63.2	0	0	0	0	115.3	Y111	Y111-S113 WeakPolarHBondContact CE2-OG 2.64Å; Y111-S113 PolarHBondContact O-N 2.85Å
114	N	48.9	Very low	56	Low	138 Å²	138	92.2 Å²	92.2	74%	0.738	45%	0.447	S	S	*	.	S	Bend	trans	-120.9	54.1	-177	-82	-34.7	0	0	0	113.8	T112	T112-N114 VanDerWaalsContact C-N 3.3Å; T112-N114 PolarHBondContact O-N 3.29Å
115	K	48.6	Very low	55.6	Low	187 Å²	187	92.7 Å²	92.7	81%	0.813	45%	0.453	S	S	*	.	S	Bend	trans	173.9	-23.1	136.2	-96.4	155.9	-173.7	174.9	0	117.9
116	F	46	Very low	55	Low	108 Å²	108	97 Å²	97	47%	0.474	49%	0.486	S	S	.	.			trans	-123	144.3	-161.7	-59.9	-78.6	0	0	0	116.5	S118 L132 L137	F116-S118 PolarHBondContact O-N 2.95Å; F116-L132 HydrophobicContact CB-CD1 3.81Å; F116-L132 HydrophobicContact CB-CD2 4.36Å; F116-L132 HydrophobicContact CD2-CD1 3.7Å; F116-L132 HydrophobicContact CG-CD1 4.21Å; F116-L137 HydrophobicContact CB-CD1 3.93Å; F116-L137 HydrophobicContact CD1-CB 4.49Å; F116-L137 HydrophobicContact CD1-CD1 3.46Å; F116-L137 VanDerWaalsContact CD1-CD1 3.46Å; F116-L137 HydrophobicContact CD2-CD1 4.23Å; F116-L137 HydrophobicContact CE1-CB 4.16Å; F116-L137 HydrophobicContact CE1-CD1 3.96Å; F116-L137 HydrophobicContact CG-CD1 3.61Å
117	K	55.1	Low	54.7	Low	220 Å²	220	98.7 Å²	98.7	96%	0.957	50%	0.498	S	S	*	.			trans	-85.3	70.1	172.5	-63.2	-178.7	-179.9	-179.8	0	111.3
118	S	51.1	Low	54.3	Low	9 Å²	9	93.1 Å²	93.1	6%	0.063	48%	0.477	C	S	.	.			trans	-103.9	131.4	164.1	-168	0	0	0	0	108.6	F116 F120 F121 K135	F116-S118 PolarHBondContact O-N 2.95Å; S118-F120 PolarHBondContact O-N 3.45Å; S118-F120 PolarHBondContact OG-N 2.89Å; S118-F120 PolarHBondContact OG-O 3.49Å; S118-F121 VanDerWaalsContact O-CE2 3.22Å; S118-F121 WeakPolarHBondContact O-CE2 2.63Å; S118-F121 VanDerWaalsContact O-CZ 3.32Å; S118-F121 WeakPolarHBondContact O-CZ 3.37Å; S118-K135 PolarHBondContact OG-NZ 3.46Å
119	D	58	Low	53.8	Low	109 Å²	109	91.9 Å²	91.9	58%	0.583	47%	0.468	S	S	*	.	S	Bend	trans	-71.3	-16.2	171.9	-65.9	-31.7	0	0	0	112.5	K101 L102	K101-D119 CarbonylContact C-O 3.16Å; K101-D119 WeakPolarHBondContact CA-O 3.04Å; L102-D119 PolarHBondContact N-O 2.71Å
120	F	55.2	Low	53.5	Low	88 Å²	88	91.4 Å²	91.4	39%	0.386	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143	-170.1	-58.7	-100.7	0	0	0	112.8	F100 K101 S118 C133	F100-F120 CarbonylContact O-C 3.1Å; F100-F120 VanDerWaalsContact O-CA 3.25Å; F100-F120 WeakPolarHBondContact O-CA 3.32Å; K101-F120 HydrophobicContact CG-CD1 4.07Å; K101-F120 HydrophobicContact CG-CE1 3.92Å; K101-F120 HydrophobicContact CG-CZ 4.38Å; S118-F120 PolarHBondContact O-N 3.45Å; S118-F120 PolarHBondContact OG-N 2.89Å; S118-F120 PolarHBondContact OG-O 3.49Å; F120-C133 WeakPolarHBondContact CB-SG 3.43Å; F120-C133 PolarHBondContact O-N 3.11Å; F120-C133 PolarHBondContact O-SG 2.84Å
121	F	56.9	Low	53.2	Low	20 Å²	20	87.7 Å²	87.7	9%	0.088	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.6	-171.2	-60.4	-95.5	0	0	0	112.4	C99 F100 L102 I105 S118 I130 D131 L132 C133	C99-F121 CarbonylContact C-O 3.57Å; C99-F121 VanDerWaalsContact CA-O 3.25Å; C99-F121 WeakPolarHBondContact CA-O 3.5Å; C99-F121 VanDerWaalsContact CB-O 3.23Å; C99-F121 WeakPolarHBondContact CB-O 3.48Å; F100-F121 WeakPolarHBondContact CD1-O 3.4Å; F100-F121 HydrophobicContact CD2-CB 4.18Å; F100-F121 HydrophobicContact CE2-CB 3.81Å; F100-F121 HydrophobicContact CZ-CB 4.39Å; F100-F121 PolarHBondContact N-O 2.83Å; F100-F121 PolarHBondContact O-N 3.18Å; L102-F121 HydrophobicContact CB-CD2 4.4Å; L102-F121 HydrophobicContact CB-CE2 3.9Å; L102-F121 HydrophobicContact CD1-CD2 4.13Å; L102-F121 HydrophobicContact CD1-CE1 4.48Å; L102-F121 HydrophobicContact CD1-CE2 3.42Å; L102-F121 VanDerWaalsContact CD1-CE2 3.42Å; L102-F121 HydrophobicContact CD1-CZ 3.63Å; L102-F121 HydrophobicContact CG-CE2 4.27Å; I105-F121 HydrophobicContact CD1-CD2 4.36Å; S118-F121 VanDerWaalsContact O-CE2 3.22Å; S118-F121 WeakPolarHBondContact O-CE2 2.63Å; S118-F121 VanDerWaalsContact O-CZ 3.32Å; S118-F121 WeakPolarHBondContact O-CZ 3.37Å; F121-I130 HydrophobicContact CB-CG2 3.61Å; F121-D131 CarbonylContact C-O 3.59Å; F121-D131 WeakPolarHBondContact CA-O 3.43Å; F121-D131 WeakPolarHBondContact CB-O 3.44Å; F121-L132 HydrophobicContact CD1-CD2 4.33Å; F121-L132 HydrophobicContact CE1-CD2 3.73Å; F121-L132 HydrophobicContact CE1-CG 4.34Å; F121-L132 HydrophobicContact CZ-CD2 4.14Å; F121-C133 PolarHBondContact N-SG 3.36Å; F121-C133 VanDerWaalsContact N-SG 3.41Å
122	C	55.1	Low	52.9	Low	10 Å²	10	82.9 Å²	82.9	7%	0.068	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	149.4	178.4	5.9	0	0	0	0	110.9	D98 C99 I130 D131 C133	D98-C122 WeakPolarHBondContact O-CB 3.4Å; C99-C122 HydrophobicContact CB-CB 3.85Å; C99-C122 WeakPolarHBondContact CB-SG 3.15Å; C99-C122 WeakPolarHBondContact SG-CB 3.43Å; C99-C122 CovalentContact SG-SG 2.04Å; C99-C122 PolarHBondContact SG-SG 3.08Å; C122-I130 VanDerWaalsContact C-CG2 3.41Å; C122-I130 VanDerWaalsContact O-CG2 3.22Å; C122-I130 WeakPolarHBondContact O-CG2 3.32Å; C122-D131 PolarHBondContact N-O 3.23Å; C122-D131 PolarHBondContact O-N 3.04Å; C122-C133 WeakPolarHBondContact SG-CA 3.49Å
123	T	52.6	Low	52.8	Low	33 Å²	33	78.8 Å²	78.8	20%	0.202	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	144.8	-170.7	45.7	0	0	0	0	113.8	T89 M109 E129	T89-T123 HydrophobicContact CG2-CG2 3.63Å; T89-T123 WeakPolarHBondContact CG2-OG1 3.33Å; T89-T123 PolarHBondContact OG1-OG1 2.89Å; M109-T123 HydrophobicContact CE-CG2 3.44Å; M109-T123 VanDerWaalsContact CE-CG2 3.44Å; T123-E129 WeakPolarHBondContact CA-O 3.24Å
124	I	51	Low	52.8	Low	63 Å²	63	75.3 Å²	75.3	32%	0.323	39%	0.388	S	S	.	.			trans	-100.5	120.9	174.5	-35.9	175.2	0	0	0	109.7	S127 E129 D131	I124-S127 PolarHBondContact O-OG 2.95Å; I124-E129 PolarHBondContact N-O 3Å; I124-D131 HydrophobicContact CD1-CB 3.81Å; I124-D131 HydrophobicContact CG1-CB 3.85Å
125	N	51.8	Low	52.9	Low	115 Å²	115	73.5 Å²	73.5	62%	0.615	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-158.5	175.7	-68.2	-45	0	0	0	113.6	S127	N125-S127 PolarHBondContact O-N 3.12Å
126	S	51.6	Low	52.8	Low	128 Å²	128	66.1 Å²	66.1	90%	0.895	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	14.5	178.1	-43.2	0	0	0	0	114.4
127	S	54.8	Low	52.8	Low	46 Å²	46	65.4 Å²	65.4	32%	0.322	34%	0.343	S	S	.	.	S	Bend	trans	-90.5	156.7	176.5	60.9	0	0	0	0	111.6	I124 N125 E129	I124-S127 PolarHBondContact O-OG 2.95Å; N125-S127 PolarHBondContact O-N 3.12Å; S127-E129 PolarHBondContact O-N 3.03Å; S127-E129 PolarHBondContact OG-OE2 2.87Å; S127-E129 VanDerWaalsContact OG-OE2 3.06Å
128	I	55.3	Low	52.3	Low	87 Å²	87	61 Å²	61	45%	0.446	34%	0.335	S	S	.	.	S	Bend	trans	-80.9	45.8	177.6	-56.8	166.4	0	0	0	109.2	F91 M109 K110	F91-I128 HydrophobicContact CE2-CG1 4.49Å; F91-I128 HydrophobicContact CE2-CG2 3.78Å; F91-I128 HydrophobicContact CZ-CG2 4.2Å; M109-I128 HydrophobicContact CG-CG2 4.39Å; K110-I128 WeakPolarHBondContact CB-O 3.47Å; K110-I128 PolarHBondContact N-O 3.49Å
129	E	54.9	Low	52.4	Low	85 Å²	85	64 Å²	64	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143	-169.6	-61.2	179.1	147.2	0	0	110.9	K110 T123 I124 S127	K110-E129 HydrophobicContact CB-CG 4.47Å; K110-E129 WeakPolarHBondContact O-CA 3.11Å; T123-E129 WeakPolarHBondContact CA-O 3.24Å; I124-E129 PolarHBondContact N-O 3Å; S127-E129 PolarHBondContact O-N 3.03Å; S127-E129 PolarHBondContact OG-OE2 2.87Å; S127-E129 VanDerWaalsContact OG-OE2 3.06Å
130	I	55.3	Low	52	Low	4 Å²	4	64.4 Å²	64.4	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.9	-172.1	-31.3	158.8	0	0	0	110.4	F100 I105 M109 K110 F121 C122	F100-I130 HydrophobicContact CE1-CG2 4.2Å; F100-I130 HydrophobicContact CE2-CD1 3.95Å; F100-I130 HydrophobicContact CE2-CG2 3.88Å; F100-I130 HydrophobicContact CZ-CB 4.37Å; F100-I130 HydrophobicContact CZ-CD1 3.88Å; F100-I130 HydrophobicContact CZ-CG1 4.08Å; F100-I130 HydrophobicContact CZ-CG2 3.36Å; I105-I130 HydrophobicContact CD1-CD1 3.98Å; I105-I130 HydrophobicContact CG2-CD1 4.04Å; M109-I130 HydrophobicContact CB-CD1 3.7Å; M109-I130 HydrophobicContact CB-CG1 4.14Å; M109-I130 HydrophobicContact CE-CG1 4.36Å; M109-I130 HydrophobicContact CG-CD1 4.34Å; M109-I130 HydrophobicContact SD-CD1 3.74Å; M109-I130 HydrophobicContact SD-CG1 4Å; K110-I130 PolarHBondContact O-N 3.41Å; F121-I130 HydrophobicContact CB-CG2 3.61Å; C122-I130 VanDerWaalsContact C-CG2 3.41Å; C122-I130 VanDerWaalsContact O-CG2 3.22Å; C122-I130 WeakPolarHBondContact O-CG2 3.32Å
131	D	51.8	Low	51.7	Low	69 Å²	69	67 Å²	67	37%	0.369	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	168.6	167.8	-145.6	-21.5	0	0	0	111.9	F121 C122 I124	F121-D131 CarbonylContact C-O 3.59Å; F121-D131 WeakPolarHBondContact CA-O 3.43Å; F121-D131 WeakPolarHBondContact CB-O 3.44Å; C122-D131 PolarHBondContact N-O 3.23Å; C122-D131 PolarHBondContact O-N 3.04Å; I124-D131 HydrophobicContact CD1-CB 3.81Å; I124-D131 HydrophobicContact CG1-CB 3.85Å
132	L	51.8	Low	51.3	Low	37 Å²	37	69 Å²	69	19%	0.194	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	143.8	161.4	-61.4	156.5	0	0	0	109.7	F116 F121	F116-L132 HydrophobicContact CB-CD1 3.81Å; F116-L132 HydrophobicContact CB-CD2 4.36Å; F116-L132 HydrophobicContact CD2-CD1 3.7Å; F116-L132 HydrophobicContact CG-CD1 4.21Å; F121-L132 HydrophobicContact CD1-CD2 4.33Å; F121-L132 HydrophobicContact CE1-CD2 3.73Å; F121-L132 HydrophobicContact CE1-CG 4.34Å; F121-L132 HydrophobicContact CZ-CD2 4.14Å
133	C	52.7	Low	51.4	Low	14 Å²	14	69.4 Å²	69.4	10%	0.095	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-55.9	149.7	173.6	-41.8	0	0	0	0	112.4	C99 F120 F121 C122 K135	C99-C133 HydrophobicContact CB-CB 4.32Å; C99-C133 WeakPolarHBondContact CB-SG 2.93Å; C99-C133 PolarHBondContact SG-SG 3.1Å; F120-C133 WeakPolarHBondContact CB-SG 3.43Å; F120-C133 PolarHBondContact O-N 3.11Å; F120-C133 PolarHBondContact O-SG 2.84Å; F121-C133 PolarHBondContact N-SG 3.36Å; F121-C133 VanDerWaalsContact N-SG 3.41Å; C122-C133 WeakPolarHBondContact SG-CA 3.49Å; C133-K135 VanDerWaalsContact C-N 3.29Å; C133-K135 PolarHBondContact O-N 2.93Å
134	A	51.3	Low	51.7	Low	11 Å²	11	68.5 Å²	68.5	9%	0.091	39%	0.385	C	S	.	.	S	Bend	trans	-51.8	86	170.1	0	0	0	0	0	112.9	T78 M83 L143	T78-A134 HydrophobicContact CG2-CB 3.96Å; M83-A134 HydrophobicContact CB-CB 4.04Å; M83-A134 HydrophobicContact CE-CB 4.44Å; A134-L143 HydrophobicContact CB-CB 3.85Å; A134-L143 HydrophobicContact CB-CD1 3.93Å
135	K	49.4	Very low	52.5	Low	100 Å²	100	70.4 Å²	70.4	44%	0.435	39%	0.391	S	S	.	.			trans	-121.3	123.3	164.5	-68.6	174	-180	165.6	0	106.6	S118 C133 L137	S118-K135 PolarHBondContact OG-NZ 3.46Å; C133-K135 VanDerWaalsContact C-N 3.29Å; C133-K135 PolarHBondContact O-N 2.93Å; K135-L137 HydrophobicContact CB-CD2 3.93Å; K135-L137 HydrophobicContact CB-CG 3.91Å; K135-L137 HydrophobicContact CD-CD2 4.08Å; K135-L137 PolarHBondContact O-N 3.17Å
136	D	46.9	Very low	53.2	Low	33 Å²	33	65 Å²	65	18%	0.176	36%	0.362	C	S	.	.			trans	-78.1	84.1	167.3	-165.6	-25.1	0	0	0	108.9	T138 T139 S140 Q141 L143	D136-T138 PolarHBondContact O-N 2.8Å; D136-T138 WeakPolarHBondContact OD1-CA 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.5Å; D136-T138 PolarHBondContact OD1-N 2.92Å; D136-T138 PolarHBondContact OD1-OG1 2.95Å; D136-T139 PolarHBondContact OD1-N 2.81Å; D136-T139 PolarHBondContact OD1-OG1 3.41Å; D136-T139 WeakPolarHBondContact OD2-CB 3.41Å; D136-T139 VanDerWaalsContact OD2-CG2 3.23Å; D136-T139 WeakPolarHBondContact OD2-CG2 3Å; D136-T139 PolarHBondContact OD2-OG1 3.23Å; D136-S140 WeakPolarHBondContact O-CA 3.25Å; D136-S140 PolarHBondContact O-N 3.33Å; D136-Q141 WeakPolarHBondContact CB-O 3.31Å; D136-L143 HydrophobicContact CB-CD1 4.24Å; D136-L143 HydrophobicContact CB-CD2 3.93Å; D136-L143 HydrophobicContact CB-CG 3.84Å
137	L	45.8	Very low	54.1	Low	92 Å²	92	59.7 Å²	59.7	48%	0.482	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-2.8	175.5	-62	176.9	0	0	0	112.6	F116 K135	F116-L137 HydrophobicContact CB-CD1 3.93Å; F116-L137 HydrophobicContact CD1-CB 4.49Å; F116-L137 HydrophobicContact CD1-CD1 3.46Å; F116-L137 VanDerWaalsContact CD1-CD1 3.46Å; F116-L137 HydrophobicContact CD2-CD1 4.23Å; F116-L137 HydrophobicContact CE1-CB 4.16Å; F116-L137 HydrophobicContact CE1-CD1 3.96Å; F116-L137 HydrophobicContact CG-CD1 3.61Å; K135-L137 HydrophobicContact CB-CD2 3.93Å; K135-L137 HydrophobicContact CB-CG 3.91Å; K135-L137 HydrophobicContact CD-CD2 4.08Å; K135-L137 PolarHBondContact O-N 3.17Å
138	T	44.4	Very low	55	Low	128 Å²	128	58.6 Å²	58.6	79%	0.785	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-35.4	-179.4	25.8	0	0	0	0	113.6	D136	D136-T138 PolarHBondContact O-N 2.8Å; D136-T138 WeakPolarHBondContact OD1-CA 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.5Å; D136-T138 PolarHBondContact OD1-N 2.92Å; D136-T138 PolarHBondContact OD1-OG1 2.95Å
139	T	53.6	Low	55.8	Low	72 Å²	72	54.7 Å²	54.7	44%	0.442	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-8.9	-179.3	75.5	0	0	0	0	113.8	D136 Q141	D136-T139 PolarHBondContact OD1-N 2.81Å; D136-T139 PolarHBondContact OD1-OG1 3.41Å; D136-T139 WeakPolarHBondContact OD2-CB 3.41Å; D136-T139 VanDerWaalsContact OD2-CG2 3.23Å; D136-T139 WeakPolarHBondContact OD2-CG2 3Å; D136-T139 PolarHBondContact OD2-OG1 3.23Å; T139-Q141 PolarHBondContact O-N 2.81Å; T139-Q141 WeakPolarHBondContact OG1-CB 3.32Å; T139-Q141 VanDerWaalsContact OG1-CG 3.32Å; T139-Q141 WeakPolarHBondContact OG1-CG 3.45Å; T139-Q141 PolarHBondContact OG1-N 3.42Å
140	S	49.9	Very low	56.6	Low	118 Å²	118	52 Å²	52	83%	0.825	28%	0.279	S	S	*	.			trans	60.9	12.4	-169.3	-52.1	0	0	0	0	115.1	D136	D136-S140 WeakPolarHBondContact O-CA 3.25Å; D136-S140 PolarHBondContact O-N 3.33Å
141	Q	48.1	Very low	57.5	Low	141 Å²	141	52.2 Å²	52.2	66%	0.659	28%	0.279	S	S	*	.			trans	-79.5	149	174.2	-63	-177.9	17.3	0	0	111.3	D136 T139 L143	D136-Q141 WeakPolarHBondContact CB-O 3.31Å; T139-Q141 PolarHBondContact O-N 2.81Å; T139-Q141 WeakPolarHBondContact OG1-CB 3.32Å; T139-Q141 VanDerWaalsContact OG1-CG 3.32Å; T139-Q141 WeakPolarHBondContact OG1-CG 3.45Å; T139-Q141 PolarHBondContact OG1-N 3.42Å; Q141-L143 PolarHBondContact O-N 3.12Å
142	L	49.8	Very low	58.5	Low	63 Å²	63	49.1 Å²	49.1	33%	0.33	26%	0.263	S	S	.	.			trans	-78	119.3	176.4	-144.5	78.4	0	0	0	109.7	W47 T144	W47-L142 HydrophobicContact CB-CB 3.98Å; W47-L142 HydrophobicContact CB-CD2 4.28Å; W47-L142 HydrophobicContact CD2-CD2 4.34Å; W47-L142 HydrophobicContact CE3-CB 4.43Å; W47-L142 HydrophobicContact CE3-CD2 3.5Å; W47-L142 HydrophobicContact CG-CB 4.45Å; W47-L142 HydrophobicContact CZ3-CD2 4.16Å; L142-T144 PolarHBondContact O-N 2.85Å; L142-T144 VanDerWaalsContact O-N 3.17Å
143	L	57.1	Low	59.3	Low	18 Å²	18	47.4 Å²	47.4	9%	0.094	25%	0.254	C	S	.	.	S	Bend	trans	-73.3	1.6	174.5	-66.9	-178.4	0	0	0	113.2	T78 S79 M83 A134 D136 Q141	T78-L143 CarbonylContact C-O 3.45Å; T78-L143 WeakPolarHBondContact CA-O 3.38Å; T78-L143 WeakPolarHBondContact CB-O 3.17Å; T78-L143 WeakPolarHBondContact CG2-O 3.18Å; S79-L143 PolarHBondContact N-O 2.9Å; S79-L143 WeakPolarHBondContact OG-CA 3.42Å; S79-L143 WeakPolarHBondContact OG-CD2 3.4Å; M83-L143 HydrophobicContact CE-CD1 4.47Å; M83-L143 HydrophobicContact SD-CD1 3.67Å; A134-L143 HydrophobicContact CB-CB 3.85Å; A134-L143 HydrophobicContact CB-CD1 3.93Å; D136-L143 HydrophobicContact CB-CD1 4.24Å; D136-L143 HydrophobicContact CB-CD2 3.93Å; D136-L143 HydrophobicContact CB-CG 3.84Å; Q141-L143 PolarHBondContact O-N 3.12Å
144	T	59.1	Low	60	Low	15 Å²	15	46.9 Å²	46.9	9%	0.092	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.1	178.5	-57.6	0	0	0	0	110.2	R76 L142	R76-T144 VanDerWaalsContact CD-OG1 3.3Å; R76-T144 WeakPolarHBondContact CD-OG1 3.41Å; R76-T144 HydrophobicContact CG-CG2 3.66Å; R76-T144 PolarHBondContact NH1-OG1 2.8Å; L142-T144 PolarHBondContact O-N 2.85Å; L142-T144 VanDerWaalsContact O-N 3.17Å
145	K	66.2	Low	61.1	Low	103 Å²	103	46.5 Å²	46.5	45%	0.448	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-34.9	174.4	-74.4	177.8	172.5	164.8	0	112.4	C39 L77	C39-K145 PolarHBondContact N-O 2.97Å; C39-K145 VanDerWaalsContact N-O 3.15Å; L77-K145 PolarHBondContact O-N 2.98Å
146	G	68.2	Low	62.2	Low	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-149.9	-174.9	0	0	0	0	0	115.7	R37 L77	R37-G146 CarbonylContact O-C 3.31Å; R37-G146 VanDerWaalsContact O-CA 3.27Å; R37-G146 WeakPolarHBondContact O-CA 3.47Å; L77-G146 PolarHBondContact N-O 2.99Å; L77-G146 PolarHBondContact O-N 3.46Å; L77-G146 VanDerWaalsContact O-N 3.17Å
147	M	70.2	Confident	63.6	Low	18 Å²	18	51 Å²	51	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.3	176.5	-80.9	173.9	173.8	0	0	111.5	W17 W20 Y36 R37 T55 I75	W17-M147 HydrophobicContact CD2-SD 4.42Å; W17-M147 HydrophobicContact CE3-SD 4.5Å; W17-M147 HydrophobicContact CH2-CB 4.23Å; W17-M147 HydrophobicContact CH2-CE 4.09Å; W17-M147 HydrophobicContact CH2-CG 3.54Å; W17-M147 HydrophobicContact CH2-SD 3.81Å; W17-M147 HydrophobicContact CZ2-CE 3.62Å; W17-M147 HydrophobicContact CZ2-CG 4.04Å; W17-M147 HydrophobicContact CZ2-SD 3.69Å; W17-M147 HydrophobicContact CZ3-CB 4.03Å; W17-M147 HydrophobicContact CZ3-CG 3.86Å; W17-M147 HydrophobicContact CZ3-SD 4.19Å; W20-M147 HydrophobicContact CH2-CB 4.27Å; Y36-M147 CarbonylContact C-O 3.51Å; Y36-M147 VanDerWaalsContact CA-O 3.24Å; Y36-M147 WeakPolarHBondContact CA-O 3.39Å; R37-M147 HydrophobicContact CG-CB 4.09Å; R37-M147 PolarHBondContact N-O 3.2Å; R37-M147 PolarHBondContact NH2-SD 2.92Å; R37-M147 PolarHBondContact O-N 3.41Å; T55-M147 HydrophobicContact CG2-CE 4.23Å; I75-M147 CarbonylContact O-C 3.2Å; I75-M147 WeakPolarHBondContact O-CA 3.35Å
148	R	72.3	Confident	65.7	Low	22 Å²	22	47.3 Å²	47.3	8%	0.083	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.8	171.1	172.7	172.9	59.3	-167.4	4.4	109.4	Q34 R35 H74 I75 E84 C85 Y150	Q34-R148 HydrophobicContact CB-CG 4.34Å; R35-R148 CarbonylContact O-C 3.58Å; R35-R148 WeakPolarHBondContact O-CA 3.32Å; H74-R148 CarbonylContact C-O 3.37Å; H74-R148 VanDerWaalsContact CA-O 3.31Å; H74-R148 WeakPolarHBondContact CA-O 3.45Å; I75-R148 PolarHBondContact N-O 3.03Å; I75-R148 PolarHBondContact O-N 3.08Å; E84-R148 IonicContact OE1-CZ 3.08Å; E84-R148 IonicContact OE1-NE 3.78Å; E84-R148 IonicContact OE1-NH1 3.78Å; E84-R148 PolarHBondContact OE1-NH1 3.14Å; E84-R148 VanDerWaalsContact OE1-NH1 3.08Å; E84-R148 IonicContact OE1-NH2 2.89Å; E84-R148 PolarHBondContact OE1-NH2 3Å; E84-R148 IonicContact OE2-CZ 2.72Å; E84-R148 IonicContact OE2-NH1 3.14Å; E84-R148 PolarHBondContact OE2-NH1 2.85Å; E84-R148 IonicContact OE2-NH2 3.19Å; E84-R148 PolarHBondContact OE2-NH2 2.93Å; C85-R148 PolarHBondContact O-NH2 3.16Å; R148-Y150 HydrophobicContact CG-CD2 4.11Å; R148-Y150 HydrophobicContact CG-CE2 3.7Å; R148-Y150 PolarHBondContact NE-OH 2.8Å
149	E	73.6	Confident	67.9	Low	5 Å²	5	47.4 Å²	47.4	2%	0.023	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.6	170.1	-172.5	162.5	-160.3	0	0	110.9	W20 W23 Q34 R35 R73 H74	W20-E149 HydrophobicContact CH2-CB 3.88Å; W20-E149 HydrophobicContact CZ3-CB 3.95Å; W23-E149 HydrophobicContact CH2-CB 4.48Å; W23-E149 HydrophobicContact CH2-CG 4.07Å; Q34-E149 CarbonylContact C-O 3.41Å; Q34-E149 WeakPolarHBondContact CA-O 3.12Å; R35-E149 HydrophobicContact CG-CB 3.9Å; R35-E149 IonicContact CZ-OE2 2.76Å; R35-E149 VanDerWaalsContact CZ-OE2 3.28Å; R35-E149 PolarHBondContact N-O 2.91Å; R35-E149 IonicContact NE-OE2 2.81Å; R35-E149 PolarHBondContact NE-OE2 2.93Å; R35-E149 IonicContact NH2-OE2 2.77Å; R35-E149 PolarHBondContact NH2-OE2 3.47Å; R35-E149 PolarHBondContact O-N 3.31Å; R73-E149 HydrophobicContact CB-CG 4.32Å; R73-E149 WeakPolarHBondContact O-CA 3.35Å; H74-E149 WeakPolarHBondContact CD2-CB 2.73Å; H74-E149 VanDerWaalsContact CD2-CG 3.49Å; H74-E149 WeakPolarHBondContact CD2-CG 3.43Å; H74-E149 IonicContact CD2-OE2 3.61Å; H74-E149 VanDerWaalsContact NE2-CB 3.25Å; H74-E149 WeakPolarHBondContact NE2-CB 3.47Å; H74-E149 WeakPolarHBondContact NE2-CG 3.18Å; H74-E149 IonicContact NE2-OE1 2.79Å; H74-E149 PolarHBondContact NE2-OE1 3.47Å; H74-E149 IonicContact NE2-OE2 3.7Å; H74-E149 PolarHBondContact NE2-OE2 3.34Å
150	Y	70.4	Confident	69.8	Low	30 Å²	30	46.5 Å²	46.5	12%	0.118	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.2	165.8	-70.8	-117.9	0	0	0	109.5	T32 R33 R73 I75 I87 R148	T32-Y150 HydrophobicContact CG2-CD1 4.48Å; R33-Y150 WeakPolarHBondContact O-CA 3.49Å; R73-Y150 WeakPolarHBondContact CB-O 3.37Å; R73-Y150 WeakPolarHBondContact CD-O 3.31Å; R73-Y150 WeakPolarHBondContact CG-O 3.06Å; R73-Y150 PolarHBondContact O-N 2.84Å; R73-Y150 VanDerWaalsContact O-N 3.17Å; I75-Y150 HydrophobicContact CD1-CD2 4.23Å; I75-Y150 HydrophobicContact CD1-CE2 3.55Å; I75-Y150 HydrophobicContact CG1-CE2 4.3Å; I87-Y150 HydrophobicContact CB-CD2 4.2Å; I87-Y150 HydrophobicContact CB-CE2 4.11Å; I87-Y150 HydrophobicContact CB-CG 4.49Å; I87-Y150 HydrophobicContact CD1-CD2 3.53Å; I87-Y150 HydrophobicContact CD1-CE2 4.17Å; I87-Y150 HydrophobicContact CD1-CG 3.93Å; I87-Y150 HydrophobicContact CG1-CD2 4.39Å; I87-Y150 HydrophobicContact CG2-CD1 4.11Å; I87-Y150 HydrophobicContact CG2-CD2 4.37Å; I87-Y150 HydrophobicContact CG2-CE1 4.26Å; I87-Y150 HydrophobicContact CG2-CG 4.16Å; R148-Y150 HydrophobicContact CG-CD2 4.11Å; R148-Y150 HydrophobicContact CG-CE2 3.7Å; R148-Y150 PolarHBondContact NE-OH 2.8Å
151	D	73.9	Confident	72	Confident	7 Å²	7	42 Å²	42	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	165.7	-161.8	-2.8	0	0	0	110.1	W23 T32 R33 R73 A154 R214	W23-D151 HydrophobicContact CE3-CB 4.43Å; W23-D151 HydrophobicContact CH2-CB 3.48Å; W23-D151 VanDerWaalsContact CH2-CB 3.48Å; W23-D151 HydrophobicContact CZ2-CB 4.02Å; W23-D151 HydrophobicContact CZ3-CB 3.69Å; T32-D151 CarbonylContact C-O 3.32Å; T32-D151 WeakPolarHBondContact CA-O 3.23Å; T32-D151 WeakPolarHBondContact CB-O 3.13Å; R33-D151 HydrophobicContact CG-CB 4.3Å; R33-D151 PolarHBondContact N-O 3.08Å; R33-D151 PolarHBondContact O-N 3.33Å; R73-D151 IonicContact CZ-OD1 2.69Å; R73-D151 VanDerWaalsContact NH1-CG 3.35Å; R73-D151 IonicContact NH1-OD1 3.23Å; R73-D151 PolarHBondContact NH1-OD1 3.14Å; R73-D151 IonicContact NH1-OD2 3.96Å; R73-D151 IonicContact NH2-OD1 3.33Å; D151-A154 HydrophobicContact CB-CB 4.37Å; D151-A154 VanDerWaalsContact OD2-CB 3.26Å; D151-A154 WeakPolarHBondContact OD2-CB 3.21Å; D151-R214 IonicContact OD1-CZ 3.79Å; D151-R214 VanDerWaalsContact OD1-CZ 3.32Å; D151-R214 IonicContact OD1-NH1 3.6Å; D151-R214 PolarHBondContact OD1-NH1 2.95Å; D151-R214 IonicContact OD1-NH2 3.54Å; D151-R214 PolarHBondContact OD1-NH2 3.43Å; D151-R214 IonicContact OD2-CZ 2.97Å; D151-R214 IonicContact OD2-NH1 2.71Å; D151-R214 IonicContact OD2-NH2 2.81Å; D151-R214 PolarHBondContact OD2-NH2 2.76Å
152	I	72.8	Confident	74.2	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.4	-177.3	-53.1	140.5	0	0	0	107.6	T32 A154 Y212 R214 F227 A230 I231 Y285	T32-I152 HydrophobicContact CG2-CB 4.19Å; T32-I152 HydrophobicContact CG2-CG1 3.64Å; T32-I152 HydrophobicContact CG2-CG2 4.39Å; I152-A154 PolarHBondContact O-N 2.71Å; I152-Y212 HydrophobicContact CD1-CE1 4.37Å; I152-R214 PolarHBondContact O-NH1 3.44Å; I152-F227 HydrophobicContact CB-CD2 4.26Å; I152-F227 HydrophobicContact CB-CE2 3.89Å; I152-F227 HydrophobicContact CD1-CE2 4.06Å; I152-F227 HydrophobicContact CG2-CE2 4.24Å; I152-F227 WeakPolarHBondContact O-CD2 3.38Å; I152-A230 HydrophobicContact CG2-CB 4.37Å; I152-I231 HydrophobicContact CG2-CG2 4.06Å; I152-Y285 HydrophobicContact CD1-CE1 3.7Å; I152-Y285 HydrophobicContact CD1-CE2 4.26Å; I152-Y285 VanDerWaalsContact CD1-CZ 3.5Å; I152-Y285 VanDerWaalsContact CD1-OH 3.3Å; I152-Y285 WeakPolarHBondContact CD1-OH 3.08Å; I152-Y285 HydrophobicContact CG1-CE2 4.5Å; I152-Y285 HydrophobicContact CG2-CE2 4.15Å
153	G	69.1	Low	76.4	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	77.7	-32.8	176.9	0	0	0	0	0	115	C31 C155 W158 R226	C31-G153 PolarHBondContact O-N 2.78Å; G153-C155 PolarHBondContact O-N 3.25Å; G153-W158 PolarHBondContact O-NE1 3.33Å; G153-R226 WeakPolarHBondContact O-CD 3.32Å
154	A	67	Low	78.3	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.025	22%	0.215	C	C	.	.			trans	-70	25.7	170.3	0	0	0	0	0	113.5	R33 D151 I152	R33-A154 VanDerWaalsContact CD-O 3.22Å; R33-A154 WeakPolarHBondContact CD-O 3.27Å; R33-A154 PolarHBondContact NE-O 3.21Å; R33-A154 PolarHBondContact NH1-O 3.29Å; R33-A154 PolarHBondContact NH2-O 3.36Å; D151-A154 HydrophobicContact CB-CB 4.37Å; D151-A154 VanDerWaalsContact OD2-CB 3.26Å; D151-A154 WeakPolarHBondContact OD2-CB 3.21Å; I152-A154 PolarHBondContact O-N 2.71Å
155	C	74.3	Confident	80	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.027	22%	0.217	C	C	.	.			trans	-65.3	133.7	170	-86.1	0	0	0	0	110.4	C26 T32 G153	C26-C155 HydrophobicContact CB-CB 3.6Å; C26-C155 WeakPolarHBondContact CB-SG 3.22Å; C26-C155 WeakPolarHBondContact SG-CB 3.48Å; C26-C155 CovalentContact SG-SG 2.03Å; C26-C155 PolarHBondContact SG-SG 2.85Å; T32-C155 VanDerWaalsContact C-SG 3.51Å; T32-C155 PolarHBondContact N-SG 2.97Å; T32-C155 VanDerWaalsContact N-SG 3.43Å; T32-C155 PolarHBondContact O-SG 3.1Å; G153-C155 PolarHBondContact O-N 3.25Å
156	D	72.5	Confident	81.3	Confident	77 Å²	77	41.5 Å²	41.5	41%	0.412	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	159.2	175.3	-47.6	-83.7	0	0	0	111	R33	R33-D156 IonicContact CZ-OD1 2.69Å; R33-D156 IonicContact CZ-OD2 3.97Å; R33-D156 IonicContact NH1-OD1 2.76Å; R33-D156 PolarHBondContact NH1-OD1 3.45Å; R33-D156 IonicContact NH1-OD2 3.32Å; R33-D156 PolarHBondContact NH1-OD2 2.86Å
157	N	77.5	Confident	82.2	Confident	149 Å²	149	46.9 Å²	46.9	80%	0.797	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	24.4	-178.9	-36.6	-86.5	0	0	0	116.7	Y159	N157-Y159 PolarHBondContact O-N 3.25Å
158	W	88.8	Confident	83	Confident	16 Å²	16	51.4 Å²	51.4	6%	0.061	25%	0.245	C	C	.	.			trans	-60	134.7	155.5	-73.6	53.6	0	0	0	108.4	G153 V160 R226 C229 A230 E266 L267 K268	G153-W158 PolarHBondContact O-NE1 3.33Å; W158-V160 PolarHBondContact O-N 2.78Å; W158-R226 HydrophobicContact CD2-CG 3.73Å; W158-R226 HydrophobicContact CE3-CG 3.86Å; W158-R226 HydrophobicContact CG-CG 4.46Å; W158-R226 HydrophobicContact CH2-CG 3.7Å; W158-R226 HydrophobicContact CZ2-CG 3.53Å; W158-R226 HydrophobicContact CZ3-CG 3.85Å; W158-C229 HydrophobicContact CH2-CB 3.8Å; W158-C229 HydrophobicContact CZ3-CB 4.16Å; W158-A230 HydrophobicContact CZ2-CB 4.28Å; W158-E266 HydrophobicContact CB-CB 4.27Å; W158-E266 HydrophobicContact CE3-CB 3.97Å; W158-L267 VanDerWaalsContact CA-O 3.32Å; W158-L267 WeakPolarHBondContact CA-O 3.5Å; W158-L267 WeakPolarHBondContact CB-O 3.27Å; W158-K268 HydrophobicContact CE3-CB 4.21Å; W158-K268 HydrophobicContact CH2-CB 3.7Å; W158-K268 HydrophobicContact CH2-CD 4.3Å; W158-K268 HydrophobicContact CH2-CG 3.74Å; W158-K268 HydrophobicContact CZ2-CB 4.13Å; W158-K268 HydrophobicContact CZ2-CG 3.82Å; W158-K268 HydrophobicContact CZ3-CB 3.75Å; W158-K268 HydrophobicContact CZ3-CG 4.32Å
159	Y	91.5	Very high	84.1	Confident	130 Å²	130	50.9 Å²	50.9	51%	0.51	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.4	-175.1	178.1	-102.2	0	0	0	110.3	N157 L161 E266 L267	N157-Y159 PolarHBondContact O-N 3.25Å; Y159-L161 HydrophobicContact CD1-CG 4.17Å; Y159-L161 HydrophobicContact CE1-CD1 4.16Å; Y159-L161 HydrophobicContact CE1-CD2 3.7Å; Y159-L161 HydrophobicContact CE1-CG 3.68Å; Y159-E266 WeakPolarHBondContact O-CA 3.23Å; Y159-L267 HydrophobicContact CD1-CD1 3.69Å; Y159-L267 HydrophobicContact CD1-CG 4.06Å; Y159-L267 HydrophobicContact CG-CD1 4.46Å; Y159-L267 PolarHBondContact N-O 2.97Å; Y159-L267 PolarHBondContact O-N 3.18Å
160	V	94.3	Very high	85	Confident	53 Å²	53	53.2 Å²	53.2	32%	0.321	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.9	-172.2	-168	0	0	0	0	111.8	W158 H162 I264 I265 E266	W158-V160 PolarHBondContact O-N 2.78Å; V160-H162 VanDerWaalsContact CG1-CE1 3.45Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.46Å; V160-I264 HydrophobicContact CG1-CG2 3.58Å; V160-I265 CarbonylContact C-O 3.54Å; V160-I265 WeakPolarHBondContact CA-O 2.93Å; V160-E266 HydrophobicContact CG1-CG 4.36Å; V160-E266 HydrophobicContact CG2-CG 4.22Å
161	L	94.8	Very high	86	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.12	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	99.5	173.3	-75.5	171.9	0	0	0	109	Y159 F252 L257 I265	Y159-L161 HydrophobicContact CD1-CG 4.17Å; Y159-L161 HydrophobicContact CE1-CD1 4.16Å; Y159-L161 HydrophobicContact CE1-CD2 3.7Å; Y159-L161 HydrophobicContact CE1-CG 3.68Å; L161-F252 HydrophobicContact CD1-CZ 3.96Å; L161-L257 HydrophobicContact CD1-CD1 4.08Å; L161-I265 HydrophobicContact CB-CB 4.08Å; L161-I265 HydrophobicContact CD1-CG2 4.47Å; L161-I265 PolarHBondContact N-O 3.42Å; L161-I265 PolarHBondContact O-N 2.6Å
162	H	95.8	Very high	86.9	Confident	108 Å²	108	65.1 Å²	65.1	50%	0.5	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	140.4	177.3	-56.9	-76.5	0	0	0	112	V160	V160-H162 VanDerWaalsContact CG1-CE1 3.45Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.46Å
163	H	96	Very high	87.9	Confident	95 Å²	95	68 Å²	68	44%	0.44	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71	30.7	178.3	-42.5	88.1	0	0	0	115.1	S260 T263	H163-S260 CarbonylContact C-O 3.55Å; H163-S260 WeakPolarHBondContact CA-O 3.38Å; H163-S260 PolarHBondContact O-N 3.26Å; H163-T263 WeakPolarHBondContact CA-O 3.32Å; H163-T263 PolarHBondContact N-O 3.15Å
164	W	95.5	Very high	89.2	Confident	100 Å²	100	69.4 Å²	69.4	38%	0.379	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.1	178.7	-63.5	94.5	0	0	0	111.3	L257 S258 T263 I265	W164-L257 HydrophobicContact CB-CD2 4.46Å; W164-L257 HydrophobicContact CE3-CB 3.84Å; W164-L257 HydrophobicContact CZ3-CB 4.3Å; W164-S258 VanDerWaalsContact CA-O 3.32Å; W164-S258 WeakPolarHBondContact CA-O 3.47Å; W164-T263 WeakPolarHBondContact O-CB 3.49Å; W164-T263 VanDerWaalsContact O-CG2 3.27Å; W164-T263 WeakPolarHBondContact O-CG2 2.94Å; W164-I265 HydrophobicContact CB-CD1 3.96Å
165	N	95	Very high	90.5	Very high	26 Å²	26	71.6 Å²	71.6	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	162.8	169.2	67.4	-18.3	0	0	0	111.9	E167 E239 L257 S258 S260 T263	N165-E167 VanDerWaalsContact C-N 3.31Å; N165-E167 PolarHBondContact O-N 3.38Å; N165-E239 WeakPolarHBondContact CA-OE2 3.15Å; N165-E239 VanDerWaalsContact CB-CD 3.48Å; N165-E239 HydrophobicContact CB-CG 4.44Å; N165-E239 WeakPolarHBondContact CB-OE1 3.36Å; N165-E239 WeakPolarHBondContact CB-OE2 3.5Å; N165-L257 WeakPolarHBondContact O-CA 3.38Å; N165-S258 PolarHBondContact N-O 3Å; N165-S258 PolarHBondContact O-N 2.96Å; N165-S258 VanDerWaalsContact OD1-C 3.26Å; N165-S258 VanDerWaalsContact OD1-CB 3.27Å; N165-S258 WeakPolarHBondContact OD1-CB 3.43Å; N165-S258 PolarHBondContact OD1-O 3.08Å; N165-S260 VanDerWaalsContact CG-CB 3.45Å; N165-T263 HydrophobicContact CB-CG2 4.15Å
166	M	94.1	Very high	91.5	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.366	C	S	.	.			trans	-96	54	176.4	-66.7	-174.1	-86.3	0	0	110.2	N168 L169 K174 A237 E239 A249 F252 I256 L257 I265	M166-N168 PolarHBondContact O-N 3.41Å; M166-L169 HydrophobicContact CB-CB 4.05Å; M166-L169 HydrophobicContact CB-CD2 4.26Å; M166-L169 WeakPolarHBondContact O-CB 3.45Å; M166-L169 PolarHBondContact O-N 2.9Å; M166-L169 HydrophobicContact SD-CD2 4.01Å; M166-K174 PolarHBondContact O-NZ 2.98Å; M166-A237 HydrophobicContact CE-CB 4.14Å; M166-A237 HydrophobicContact SD-CB 4.43Å; M166-E239 HydrophobicContact CE-CB 3.63Å; M166-E239 PolarHBondContact N-OE2 2.88Å; M166-A249 HydrophobicContact CE-CB 3.54Å; M166-A249 HydrophobicContact SD-CB 3.66Å; M166-F252 HydrophobicContact CG-CE2 4.49Å; M166-F252 HydrophobicContact SD-CD2 3.71Å; M166-F252 HydrophobicContact SD-CE2 4.17Å; M166-I256 HydrophobicContact CB-CD1 4.16Å; M166-I256 HydrophobicContact CG-CD1 4.04Å; M166-I256 HydrophobicContact SD-CD1 4.31Å; M166-L257 HydrophobicContact CG-CD2 4.43Å; M166-I265 HydrophobicContact CE-CG1 4.33Å; M166-I265 HydrophobicContact CE-CG2 4.46Å; M166-I265 HydrophobicContact CG-CD1 3.69Å; M166-I265 HydrophobicContact CG-CG1 4.36Å
167	E	87	Confident	92.6	Very high	114 Å²	114	71.2 Å²	71.2	53%	0.533	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-50.6	-176	-173.4	171.6	-170.6	0	0	111.4	N165 L169 K174 S258	N165-E167 VanDerWaalsContact C-N 3.31Å; N165-E167 PolarHBondContact O-N 3.38Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.05Å; E167-K174 PolarHBondContact O-NZ 2.89Å; E167-S258 WeakPolarHBondContact OE2-CB 2.93Å; E167-S258 PolarHBondContact OE2-OG 3.46Å
168	N	87.9	Confident	93.5	Very high	112 Å²	112	67.1 Å²	67.1	60%	0.599	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	1.5	-175.4	-64.8	-58.2	0	0	0	114.9	M166 I256	M166-N168 PolarHBondContact O-N 3.41Å; N168-I256 HydrophobicContact CB-CB 4.08Å; N168-I256 HydrophobicContact CB-CG2 4.1Å
169	L	93.3	Very high	93.9	Very high	12 Å²	12	67.3 Å²	67.3	6%	0.063	33%	0.331	C	S	.	.	S	Bend	trans	-70.7	130.7	175.4	-177.1	60.3	0	0	0	110.2	M166 E167 L173 K174 A249 D251 I256	M166-L169 HydrophobicContact CB-CB 4.05Å; M166-L169 HydrophobicContact CB-CD2 4.26Å; M166-L169 WeakPolarHBondContact O-CB 3.45Å; M166-L169 PolarHBondContact O-N 2.9Å; M166-L169 HydrophobicContact SD-CD2 4.01Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.05Å; L169-L173 HydrophobicContact CD1-CB 3.64Å; L169-L173 HydrophobicContact CD1-CD1 4Å; L169-L173 HydrophobicContact CD1-CG 4.48Å; L169-L173 HydrophobicContact CG-CB 4.12Å; L169-K174 HydrophobicContact CB-CD 3.93Å; L169-K174 HydrophobicContact CD2-CB 3.87Å; L169-K174 HydrophobicContact CD2-CD 3.93Å; L169-K174 HydrophobicContact CG-CB 4.37Å; L169-K174 HydrophobicContact CG-CD 3.92Å; L169-K174 VanDerWaalsContact O-CE 3.29Å; L169-K174 WeakPolarHBondContact O-CE 3.05Å; L169-K174 PolarHBondContact O-NZ 2.69Å; L169-A249 HydrophobicContact CD2-CB 3.55Å; L169-D251 HydrophobicContact CD1-CB 4.38Å; L169-I256 HydrophobicContact CB-CD1 3.83Å; L169-I256 HydrophobicContact CD1-CD1 4.1Å; L169-I256 HydrophobicContact CD2-CD1 4.44Å; L169-I256 HydrophobicContact CG-CD1 4.34Å
170	S	92.9	Very high	94	Very high	53 Å²	53	67.9 Å²	67.9	37%	0.371	34%	0.342	S	S	.	.			trans	-56.7	146.4	178.5	-176.8	0	0	0	0	111.9	E172 L173 K174	S170-E172 PolarHBondContact O-N 2.67Å; S170-E172 PolarHBondContact OG-N 3.47Å; S170-L173 PolarHBondContact O-N 3.07Å; S170-K174 PolarHBondContact O-N 2.84Å
171	I	91.4	Very high	94	Very high	119 Å²	119	66.7 Å²	66.7	61%	0.61	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.9	174.6	-165	60	0	0	0	112.3	L173 I176	I171-L173 PolarHBondContact O-N 2.9Å; I171-I176 HydrophobicContact CD1-CD1 4.06Å
172	E	92.8	Very high	93.8	Very high	169 Å²	169	69.7 Å²	69.7	79%	0.79	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-72.4	-15.9	174.1	-62.2	173.9	177.4	0	0	112.8	S170	S170-E172 PolarHBondContact O-N 2.67Å; S170-E172 PolarHBondContact OG-N 3.47Å
173	L	94.9	Very high	93.6	Very high	65 Å²	65	65 Å²	65	34%	0.34	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-110.3	8.2	-177.7	-60.7	175.9	0	0	0	112.6	L169 S170 I171 F250 D251	L169-L173 HydrophobicContact CD1-CB 3.64Å; L169-L173 HydrophobicContact CD1-CD1 4Å; L169-L173 HydrophobicContact CD1-CG 4.48Å; L169-L173 HydrophobicContact CG-CB 4.12Å; S170-L173 PolarHBondContact O-N 3.07Å; I171-L173 PolarHBondContact O-N 2.9Å; L173-F250 WeakPolarHBondContact O-CD2 3.45Å; L173-F250 PolarHBondContact O-N 3.37Å; L173-D251 HydrophobicContact CD1-CB 4.13Å
174	K	95.1	Very high	93.5	Very high	30 Å²	30	60.5 Å²	60.5	13%	0.13	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	137.4	176.8	73.8	-158.6	-171.9	-167.7	0	114.1	M166 E167 L169 S170 I247 L248	M166-K174 PolarHBondContact O-NZ 2.98Å; E167-K174 PolarHBondContact O-NZ 2.89Å; L169-K174 HydrophobicContact CB-CD 3.93Å; L169-K174 HydrophobicContact CD2-CB 3.87Å; L169-K174 HydrophobicContact CD2-CD 3.93Å; L169-K174 HydrophobicContact CG-CB 4.37Å; L169-K174 HydrophobicContact CG-CD 3.92Å; L169-K174 VanDerWaalsContact O-CE 3.29Å; L169-K174 WeakPolarHBondContact O-CE 3.05Å; L169-K174 PolarHBondContact O-NZ 2.69Å; S170-K174 PolarHBondContact O-N 2.84Å; K174-I247 HydrophobicContact CB-CG2 3.74Å; K174-I247 HydrophobicContact CD-CG2 4.25Å; K174-I247 HydrophobicContact CG-CG2 4.09Å; K174-L248 CarbonylContact C-O 3.5Å; K174-L248 WeakPolarHBondContact CA-O 3.37Å; K174-L248 WeakPolarHBondContact CB-O 3.5Å
175	H	95.5	Very high	93.4	Very high	48 Å²	48	59.8 Å²	59.8	22%	0.222	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.9	170.4	-164.7	108.1	0	0	0	110.1	Y177 I247 L248 F250 H293 V294	H175-Y177 AromaticContact CD2-CD1 3.73Å; H175-Y177 AromaticContact CD2-CE1 3.16Å; H175-Y177 WeakPolarHBondContact CD2-CE1 3.42Å; H175-Y177 AromaticContact CD2-CZ 3.31Å; H175-Y177 PolarHBondContact CD2-OH 3.25Å; H175-Y177 AromaticContact NE2-CD1 3.82Å; H175-Y177 AromaticContact NE2-CE1 3.21Å; H175-Y177 WeakPolarHBondContact NE2-CE1 3.46Å; H175-Y177 AromaticContact NE2-CZ 3.81Å; H175-I247 CarbonylContact O-C 3.54Å; H175-I247 VanDerWaalsContact O-CA 3.28Å; H175-I247 WeakPolarHBondContact O-CA 3.29Å; H175-L248 PolarHBondContact N-O 2.94Å; H175-L248 PolarHBondContact O-N 2.84Å; H175-F250 HydrophobicContact CB-CE2 4.16Å; H175-F250 HydrophobicContact CB-CZ 3.86Å; H175-H293 PolarHBondContact CE1-O 3.41Å; H175-H293 PolarHBondContact ND1-O 3.11Å; H175-H293 VanDerWaalsContact ND1-O 3.13Å; H175-V294 HydrophobicContact CB-CG2 4.16Å
176	I	95.5	Very high	93.3	Very high	68 Å²	68	61.1 Å²	61.1	35%	0.349	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.2	-172.8	-52.1	-178	0	0	0	110.5	I171 H245 I247	I171-I176 HydrophobicContact CD1-CD1 4.06Å; I176-H245 HydrophobicContact CG2-CB 4.44Å; I176-I247 HydrophobicContact CB-CG1 4.38Å; I176-I247 HydrophobicContact CD1-CD1 4.46Å; I176-I247 HydrophobicContact CG1-CD1 4.3Å; I176-I247 HydrophobicContact CG1-CG1 4.06Å; I176-I247 HydrophobicContact CG1-CG2 4.37Å; I176-I247 HydrophobicContact CG2-CG1 4.1Å
177	Y	96	Very high	93.1	Very high	6 Å²	6	61.6 Å²	61.6	2%	0.024	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	88.1	167.3	-48.7	-66.8	0	0	0	109.4	H175 S181 L183 L218 H245 C246 L248 L292	H175-Y177 AromaticContact CD2-CD1 3.73Å; H175-Y177 AromaticContact CD2-CE1 3.16Å; H175-Y177 WeakPolarHBondContact CD2-CE1 3.42Å; H175-Y177 AromaticContact CD2-CZ 3.31Å; H175-Y177 PolarHBondContact CD2-OH 3.25Å; H175-Y177 AromaticContact NE2-CD1 3.82Å; H175-Y177 AromaticContact NE2-CE1 3.21Å; H175-Y177 WeakPolarHBondContact NE2-CE1 3.46Å; H175-Y177 AromaticContact NE2-CZ 3.81Å; Y177-S181 WeakPolarHBondContact CA-OG 3.3Å; Y177-L183 HydrophobicContact CD1-CB 4.41Å; Y177-L183 HydrophobicContact CD1-CD1 4.29Å; Y177-L183 HydrophobicContact CE1-CD1 3.98Å; Y177-L218 HydrophobicContact CD1-CD1 4.16Å; Y177-L218 HydrophobicContact CD2-CB 4.47Å; Y177-L218 HydrophobicContact CD2-CD1 3.37Å; Y177-L218 HydrophobicContact CE2-CD1 3.8Å; Y177-L218 HydrophobicContact CG-CD1 3.58Å; Y177-H245 WeakPolarHBondContact O-CA 3.43Å; Y177-C246 PolarHBondContact N-O 2.97Å; Y177-C246 PolarHBondContact O-N 2.88Å; Y177-L248 HydrophobicContact CE2-CD1 3.74Å; Y177-L248 HydrophobicContact CE2-CG 3.76Å; Y177-L292 HydrophobicContact CE2-CD2 4.2Å; Y177-L292 WeakPolarHBondContact OH-CA 3.35Å; Y177-L292 VanDerWaalsContact OH-CB 3.31Å; Y177-L292 WeakPolarHBondContact OH-CB 3.34Å; Y177-L292 PolarHBondContact OH-O 2.96Å
178	D	96.2	Very high	93	Very high	63 Å²	63	57.4 Å²	57.4	34%	0.337	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	169.9	171.8	69.7	46.2	0	0	0	112.3	N180 S181 G184 V244	D178-N180 PolarHBondContact O-N 2.81Å; D178-N180 VanDerWaalsContact O-N 3.09Å; D178-N180 VanDerWaalsContact OD1-CA 3.29Å; D178-N180 WeakPolarHBondContact OD1-CA 3.32Å; D178-N180 VanDerWaalsContact OD1-CB 3.27Å; D178-N180 WeakPolarHBondContact OD1-CB 3.13Å; D178-N180 PolarHBondContact OD1-N 3.5Å; D178-N180 PolarHBondContact OD1-ND2 3.29Å; D178-S181 PolarHBondContact N-OG 3.36Å; D178-S181 WeakPolarHBondContact O-CB 3.36Å; D178-S181 PolarHBondContact O-N 3.22Å; D178-S181 VanDerWaalsContact O-N 3.1Å; D178-S181 PolarHBondContact O-OG 3.16Å; D178-S181 PolarHBondContact OD1-N 2.89Å; D178-G184 CarbonylContact O-C 3.56Å; D178-G184 WeakPolarHBondContact O-CA 3.01Å; D178-V244 CarbonylContact C-O 3.51Å; D178-V244 VanDerWaalsContact CA-O 3.26Å; D178-V244 WeakPolarHBondContact CA-O 3.25Å
179	A	96.1	Very high	92.3	Very high	20 Å²	20	52.7 Å²	52.7	17%	0.165	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-3.7	179.4	0	0	0	0	0	115.9	R185 A219 Y220 E243 V244	A179-R185 WeakPolarHBondContact O-CA 3.34Å; A179-R185 WeakPolarHBondContact O-CB 3.42Å; A179-A219 HydrophobicContact CB-CB 4.22Å; A179-Y220 HydrophobicContact CB-CE2 3.9Å; A179-E243 WeakPolarHBondContact CB-O 3.05Å; A179-V244 PolarHBondContact N-O 2.79Å
180	N	93.9	Very high	91.4	Very high	142 Å²	142	58.2 Å²	58.2	76%	0.759	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-26.7	171.4	-50.1	-82.2	0	0	0	112	D178	D178-N180 PolarHBondContact O-N 2.81Å; D178-N180 VanDerWaalsContact O-N 3.09Å; D178-N180 VanDerWaalsContact OD1-CA 3.29Å; D178-N180 WeakPolarHBondContact OD1-CA 3.32Å; D178-N180 VanDerWaalsContact OD1-CB 3.27Å; D178-N180 WeakPolarHBondContact OD1-CB 3.13Å; D178-N180 PolarHBondContact OD1-N 3.5Å; D178-N180 PolarHBondContact OD1-ND2 3.29Å
181	S	93.4	Very high	90.1	Very high	28 Å²	28	61.9 Å²	61.9	20%	0.196	32%	0.322	C	S	.	.	S	Bend	trans	-56.8	151	177.8	76.1	0	0	0	0	112.4	Y177 D178 L183 G184 R185	Y177-S181 WeakPolarHBondContact CA-OG 3.3Å; D178-S181 PolarHBondContact N-OG 3.36Å; D178-S181 WeakPolarHBondContact O-CB 3.36Å; D178-S181 PolarHBondContact O-N 3.22Å; D178-S181 VanDerWaalsContact O-N 3.1Å; D178-S181 PolarHBondContact O-OG 3.16Å; D178-S181 PolarHBondContact OD1-N 2.89Å; S181-L183 VanDerWaalsContact C-N 3.25Å; S181-L183 PolarHBondContact O-N 3.35Å; S181-G184 PolarHBondContact O-N 2.85Å; S181-G184 WeakPolarHBondContact OG-CA 3.29Å; S181-G184 PolarHBondContact OG-N 2.05Å; S181-R185 VanDerWaalsContact O-CB 3.31Å; S181-R185 WeakPolarHBondContact O-CB 3.07Å; S181-R185 WeakPolarHBondContact O-CD 3.19Å; S181-R185 VanDerWaalsContact O-CG 3.25Å; S181-R185 WeakPolarHBondContact O-CG 3.42Å; S181-R185 PolarHBondContact O-N 2.65Å
182	V	90.8	Very high	88.9	Confident	86 Å²	86	59.8 Å²	59.8	52%	0.521	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.2	-172.3	179.1	0	0	0	0	112.8	R185	V182-R185 PolarHBondContact O-NE 3.48Å; V182-R185 VanDerWaalsContact O-NE 3.1Å
183	L	92.3	Very high	87.9	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.052	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-29.1	-179.9	-48.1	-177.8	0	0	0	113	Y177 S181 H201 L215 N216 N217 L218 I291 L292	Y177-L183 HydrophobicContact CD1-CB 4.41Å; Y177-L183 HydrophobicContact CD1-CD1 4.29Å; Y177-L183 HydrophobicContact CE1-CD1 3.98Å; S181-L183 VanDerWaalsContact C-N 3.25Å; S181-L183 PolarHBondContact O-N 3.35Å; L183-H201 WeakPolarHBondContact CD2-NE2 3.38Å; L183-L215 WeakPolarHBondContact CD2-O 3.43Å; L183-N216 CarbonylContact O-C 3.5Å; L183-N216 WeakPolarHBondContact O-CA 3.49Å; L183-N217 PolarHBondContact O-N 3.05Å; L183-L218 HydrophobicContact CB-CD1 3.57Å; L183-L218 HydrophobicContact CB-CG 4.11Å; L183-L218 HydrophobicContact CD1-CD1 4.16Å; L183-L218 PolarHBondContact O-N 3.39Å; L183-I291 HydrophobicContact CD1-CG2 4.28Å; L183-I291 HydrophobicContact CD2-CG2 3.99Å; L183-L292 HydrophobicContact CD1-CD2 4.12Å
184	G	93.7	Very high	87.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-34.7	-176.8	0	0	0	0	0	114.2	D178 S181 A219 Y220	D178-G184 CarbonylContact O-C 3.56Å; D178-G184 WeakPolarHBondContact O-CA 3.01Å; S181-G184 PolarHBondContact O-N 2.85Å; S181-G184 WeakPolarHBondContact OG-CA 3.29Å; S181-G184 PolarHBondContact OG-N 2.05Å; G184-A219 WeakPolarHBondContact O-CB 3.18Å; G184-A219 PolarHBondContact O-N 3.43Å; G184-A219 VanDerWaalsContact O-N 3.16Å; G184-Y220 VanDerWaalsContact O-CD2 3.3Å; G184-Y220 WeakPolarHBondContact O-CD2 3.44Å
185	R	93.4	Very high	86.7	Confident	84 Å²	84	67.9 Å²	67.9	32%	0.317	35%	0.345	S	S	.	.	S	Bend	trans	-57.7	154.5	179.3	71	-168.6	178	151	6.4	114.1	A179 S181 V182 N217	A179-R185 WeakPolarHBondContact O-CA 3.34Å; A179-R185 WeakPolarHBondContact O-CB 3.42Å; S181-R185 VanDerWaalsContact O-CB 3.31Å; S181-R185 WeakPolarHBondContact O-CB 3.07Å; S181-R185 WeakPolarHBondContact O-CD 3.19Å; S181-R185 VanDerWaalsContact O-CG 3.25Å; S181-R185 WeakPolarHBondContact O-CG 3.42Å; S181-R185 PolarHBondContact O-N 2.65Å; V182-R185 PolarHBondContact O-NE 3.48Å; V182-R185 VanDerWaalsContact O-NE 3.1Å; R185-N217 PolarHBondContact O-OD1 2.03Å
186	K	93.7	Very high	86.3	Confident	55 Å²	55	68.6 Å²	68.6	24%	0.239	35%	0.354	C	S	.	.			trans	-76.9	132.5	178.4	-153.7	160.9	-176.8	176.7	0	112	Y195 P196 N217 Y220 E243	K186-Y195 HydrophobicContact CB-CD1 4.06Å; K186-Y195 HydrophobicContact CB-CE1 4.01Å; K186-Y195 HydrophobicContact CD-CD1 4.18Å; K186-Y195 HydrophobicContact CD-CE1 3.4Å; K186-Y195 VanDerWaalsContact CD-CE1 3.4Å; K186-Y195 VanDerWaalsContact CE-OH 3.32Å; K186-Y195 WeakPolarHBondContact CE-OH 3.08Å; K186-Y195 HydrophobicContact CG-CD1 3.84Å; K186-Y195 HydrophobicContact CG-CE1 3.6Å; K186-Y195 PolarHBondContact NZ-OH 3.02Å; K186-P196 WeakPolarHBondContact O-CD 3.28Å; K186-P196 WeakPolarHBondContact O-CG 3.46Å; K186-N217 VanDerWaalsContact CA-OD1 3.26Å; K186-N217 WeakPolarHBondContact CA-OD1 3.47Å; K186-Y220 HydrophobicContact CB-CD1 4.42Å; K186-Y220 HydrophobicContact CB-CD2 3.89Å; K186-Y220 HydrophobicContact CB-CE1 4.18Å; K186-Y220 HydrophobicContact CB-CE2 3.66Å; K186-Y220 HydrophobicContact CB-CG 4.27Å; K186-Y220 HydrophobicContact CD-CD1 3.62Å; K186-Y220 HydrophobicContact CD-CD2 4.49Å; K186-Y220 HydrophobicContact CD-CE1 3.64Å; K186-Y220 HydrophobicContact CD-CG 4.05Å; K186-Y220 HydrophobicContact CG-CD1 4.28Å; K186-Y220 HydrophobicContact CG-CD2 4.31Å; K186-Y220 HydrophobicContact CG-CE1 4.4Å; K186-Y220 HydrophobicContact CG-CE2 4.47Å; K186-Y220 HydrophobicContact CG-CG 4.22Å; K186-E243 IonicContact NZ-OE1 3.45Å; K186-E243 PolarHBondContact NZ-OE1 3.27Å
187	C	89.5	Confident	85.7	Confident	9 Å²	9	69.6 Å²	69.6	6%	0.061	36%	0.359	C	S	.	.			trans	-150.6	163.4	178.6	64.8	0	0	0	0	110.8	P196 C198 N216 N217	C187-P196 CarbonylContact C-O 3.57Å; C187-P196 WeakPolarHBondContact CA-O 3.45Å; C187-P196 HydrophobicContact CB-CG 4.17Å; C187-P196 WeakPolarHBondContact CB-O 3.46Å; C187-C198 HydrophobicContact CB-CB 3.92Å; C187-C198 WeakPolarHBondContact CB-SG 3.39Å; C187-C198 PolarHBondContact O-SG 2.84Å; C187-C198 VanDerWaalsContact O-SG 3.34Å; C187-C198 WeakPolarHBondContact SG-CA 3.47Å; C187-C198 WeakPolarHBondContact SG-CB 3.46Å; C187-C198 CovalentContact SG-SG 2.04Å; C187-C198 PolarHBondContact SG-SG 3.35Å; C187-N216 VanDerWaalsContact SG-CB 3.6Å; C187-N216 PolarHBondContact SG-OD1 3.06Å; C187-N217 PolarHBondContact N-OD1 2.88Å; C187-N217 PolarHBondContact O-ND2 3.04Å; C187-N217 VanDerWaalsContact O-ND2 3.08Å; C187-N217 PolarHBondContact O-OD1 3.46Å; C187-N217 PolarHBondContact SG-OD1 3.18Å; C187-N217 VanDerWaalsContact SG-OD1 3.36Å
188	S	84.4	Confident	85.1	Confident	26 Å²	26	69.6 Å²	69.6	18%	0.182	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-115.6	152.8	173.7	-171.5	0	0	0	0	112.1	E190 P196 L197 C198	S188-E190 WeakPolarHBondContact CB-O 3.16Å; S188-E190 PolarHBondContact OG-N 2.97Å; S188-E190 VanDerWaalsContact OG-N 3.11Å; S188-E190 PolarHBondContact OG-O 3.24Å; S188-P196 PolarHBondContact N-O 3.21Å; S188-L197 CarbonylContact O-C 3.51Å; S188-L197 WeakPolarHBondContact O-CA 3.14Å; S188-C198 VanDerWaalsContact C-SG 3.56Å; S188-C198 PolarHBondContact N-SG 2.79Å; S188-C198 PolarHBondContact O-N 2.83Å
189	F	74.1	Confident	84.3	Confident	13 Å²	13	69 Å²	69	6%	0.057	36%	0.359	C	S	.	.	S	Bend	trans	-93.2	-4	167.8	-77.6	-78.7	0	0	0	113.3	Y62 K70 C198 Y200 G213 N216	Y62-F189 HydrophobicContact CD1-CB 3.66Å; Y62-F189 HydrophobicContact CE1-CB 3.51Å; Y62-F189 HydrophobicContact CE1-CG 4.42Å; K70-F189 VanDerWaalsContact NZ-CD1 3.28Å; F189-C198 HydrophobicContact CD1-CB 3.88Å; F189-C198 HydrophobicContact CD2-CB 3.89Å; F189-C198 HydrophobicContact CE1-CB 3.53Å; F189-C198 HydrophobicContact CE2-CB 3.49Å; F189-C198 VanDerWaalsContact CE2-CB 3.49Å; F189-C198 WeakPolarHBondContact CE2-SG 3.02Å; F189-C198 HydrophobicContact CG-CB 4.07Å; F189-C198 HydrophobicContact CZ-CB 3.32Å; F189-Y200 HydrophobicContact CD1-CD1 4.08Å; F189-Y200 AromaticContact CD1-CE1 3.51Å; F189-Y200 HydrophobicContact CD1-CE1 3.51Å; F189-Y200 AromaticContact CE1-CD1 3.82Å; F189-Y200 HydrophobicContact CE1-CD1 3.82Å; F189-Y200 AromaticContact CE1-CE1 3.75Å; F189-Y200 HydrophobicContact CE1-CE1 3.75Å; F189-G213 VanDerWaalsContact CE2-CA 3.41Å; F189-N216 HydrophobicContact CE2-CB 4.46Å
190	E	73.6	Confident	83.1	Confident	128 Å²	128	71.9 Å²	71.9	60%	0.598	37%	0.366	S	S	*	.	S	Bend	trans	-110.2	162.7	173.9	-58.9	-173.5	173.3	0	0	108.8	Y62 S188 D192	Y62-E190 HydrophobicContact CD1-CG 4.19Å; Y62-E190 HydrophobicContact CE1-CG 4.32Å; S188-E190 WeakPolarHBondContact CB-O 3.16Å; S188-E190 PolarHBondContact OG-N 2.97Å; S188-E190 VanDerWaalsContact OG-N 3.11Å; S188-E190 PolarHBondContact OG-O 3.24Å; E190-D192 PolarHBondContact O-N 3.35Å
191	T	66	Low	82	Confident	131 Å²	131	66.1 Å²	66.1	80%	0.804	33%	0.334	S	S	*	.			trans	-76.5	91.2	175	50.5	0	0	0	0	109.8
192	D	66.8	Low	80.3	Confident	74 Å²	74	66.4 Å²	66.4	40%	0.396	34%	0.335	S	S	.	.			trans	-103.6	133	170.4	-174.2	-19.6	0	0	0	108.5	E190 Y194 Y195	E190-D192 PolarHBondContact O-N 3.35Å; D192-Y194 PolarHBondContact O-N 3.36Å; D192-Y194 WeakPolarHBondContact OD1-CB 3.29Å; D192-Y194 PolarHBondContact OD1-N 3.22Å; D192-Y195 WeakPolarHBondContact OD2-CD2 3.3Å
193	D	70.3	Confident	78.5	Confident	180 Å²	180	62.6 Å²	62.6	96%	0.963	31%	0.311	S	S	*	.	S	Bend	trans	-68.3	-18.1	178.7	-70.1	-38.1	0	0	0	112.8
194	Y	82	Confident	76.5	Confident	181 Å²	181	62.9 Å²	62.9	71%	0.71	31%	0.312	S	S	*	.	S	Bend	trans	-94.1	-23.3	-173.5	-167	-86	0	0	0	114.2	D192	D192-Y194 PolarHBondContact O-N 3.36Å; D192-Y194 WeakPolarHBondContact OD1-CB 3.29Å; D192-Y194 PolarHBondContact OD1-N 3.22Å
195	Y	82.5	Confident	74.3	Confident	74 Å²	74	64.4 Å²	64.4	29%	0.29	32%	0.323	S	S	.	.	S	Bend	trans	-124.9	145	-174.4	-65.4	-65	0	0	0	112.8	K186 D192	K186-Y195 HydrophobicContact CB-CD1 4.06Å; K186-Y195 HydrophobicContact CB-CE1 4.01Å; K186-Y195 HydrophobicContact CD-CD1 4.18Å; K186-Y195 HydrophobicContact CD-CE1 3.4Å; K186-Y195 VanDerWaalsContact CD-CE1 3.4Å; K186-Y195 VanDerWaalsContact CE-OH 3.32Å; K186-Y195 WeakPolarHBondContact CE-OH 3.08Å; K186-Y195 HydrophobicContact CG-CD1 3.84Å; K186-Y195 HydrophobicContact CG-CE1 3.6Å; K186-Y195 PolarHBondContact NZ-OH 3.02Å; D192-Y195 WeakPolarHBondContact OD2-CD2 3.3Å
196	P	87.6	Confident	72.3	Confident	63 Å²	63	68.7 Å²	68.7	41%	0.409	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-63.2	153.5	172.3	29	-35.3	0	0	0	111	K186 C187 S188 C198	K186-P196 WeakPolarHBondContact O-CD 3.28Å; K186-P196 WeakPolarHBondContact O-CG 3.46Å; C187-P196 CarbonylContact C-O 3.57Å; C187-P196 WeakPolarHBondContact CA-O 3.45Å; C187-P196 HydrophobicContact CB-CG 4.17Å; C187-P196 WeakPolarHBondContact CB-O 3.46Å; S188-P196 PolarHBondContact N-O 3.21Å; P196-C198 PolarHBondContact O-N 3.11Å
197	L	84.1	Confident	70	Confident	89 Å²	89	74.3 Å²	74.3	47%	0.466	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-66.1	132.2	171.6	-167.5	73.8	0	0	0	110	S188 Y200	S188-L197 CarbonylContact O-C 3.51Å; S188-L197 WeakPolarHBondContact O-CA 3.14Å; L197-Y200 HydrophobicContact CD2-CE2 4.14Å
198	C	83	Confident	67.7	Low	5 Å²	5	74.3 Å²	74.3	3%	0.034	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63.4	152.4	176.9	-71.5	0	0	0	0	112.3	C187 S188 F189 P196 N216	C187-C198 HydrophobicContact CB-CB 3.92Å; C187-C198 WeakPolarHBondContact CB-SG 3.39Å; C187-C198 PolarHBondContact O-SG 2.84Å; C187-C198 VanDerWaalsContact O-SG 3.34Å; C187-C198 WeakPolarHBondContact SG-CA 3.47Å; C187-C198 WeakPolarHBondContact SG-CB 3.46Å; C187-C198 CovalentContact SG-SG 2.04Å; C187-C198 PolarHBondContact SG-SG 3.35Å; S188-C198 VanDerWaalsContact C-SG 3.56Å; S188-C198 PolarHBondContact N-SG 2.79Å; S188-C198 PolarHBondContact O-N 2.83Å; F189-C198 HydrophobicContact CD1-CB 3.88Å; F189-C198 HydrophobicContact CD2-CB 3.89Å; F189-C198 HydrophobicContact CE1-CB 3.53Å; F189-C198 HydrophobicContact CE2-CB 3.49Å; F189-C198 VanDerWaalsContact CE2-CB 3.49Å; F189-C198 WeakPolarHBondContact CE2-SG 3.02Å; F189-C198 HydrophobicContact CG-CB 4.07Å; F189-C198 HydrophobicContact CZ-CB 3.32Å; P196-C198 PolarHBondContact O-N 3.11Å; C198-N216 HydrophobicContact CB-CB 4.29Å; C198-N216 WeakPolarHBondContact CB-OD1 3.01Å
199	T	79	Confident	65.9	Low	51 Å²	51	79.5 Å²	79.5	31%	0.313	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-78.9	125.8	175.1	-55.2	0	0	0	0	109.7	H201 N216	T199-H201 WeakPolarHBondContact CB-NE2 2.98Å; T199-H201 WeakPolarHBondContact CG2-CE1 3.48Å; T199-H201 PolarHBondContact O-CD2 3.17Å; T199-H201 PolarHBondContact O-N 3.35Å; T199-N216 PolarHBondContact N-OD1 2.8Å; T199-N216 PolarHBondContact O-ND2 3.34Å
200	Y	70.6	Confident	64.6	Low	81 Å²	81	79.1 Å²	79.1	32%	0.318	39%	0.387	S	S	.	.			trans	-75.8	110.9	175.9	-64.2	-80.3	0	0	0	109.9	I64 I69 F189 L197	I64-Y200 WeakPolarHBondContact CD1-OH 3.38Å; I69-Y200 HydrophobicContact CD1-CE1 3.9Å; I69-Y200 WeakPolarHBondContact CD1-OH 3.44Å; F189-Y200 HydrophobicContact CD1-CD1 4.08Å; F189-Y200 AromaticContact CD1-CE1 3.51Å; F189-Y200 HydrophobicContact CD1-CE1 3.51Å; F189-Y200 AromaticContact CE1-CD1 3.82Å; F189-Y200 HydrophobicContact CE1-CD1 3.82Å; F189-Y200 AromaticContact CE1-CE1 3.75Å; F189-Y200 HydrophobicContact CE1-CE1 3.75Å; L197-Y200 HydrophobicContact CD2-CE2 4.14Å
201	H	70.1	Confident	63.6	Low	20 Å²	20	73.9 Å²	73.9	9%	0.093	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.4	177.5	-62.7	-60.7	0	0	0	109.7	L183 T199 D211 Y212 L215 I291	L183-H201 WeakPolarHBondContact CD2-NE2 3.38Å; T199-H201 WeakPolarHBondContact CB-NE2 2.98Å; T199-H201 WeakPolarHBondContact CG2-CE1 3.48Å; T199-H201 PolarHBondContact O-CD2 3.17Å; T199-H201 PolarHBondContact O-N 3.35Å; H201-D211 VanDerWaalsContact O-CA 3.25Å; H201-D211 WeakPolarHBondContact O-CA 3.12Å; H201-Y212 WeakPolarHBondContact O-CD2 3.46Å; H201-Y212 PolarHBondContact O-N 2.9Å; H201-Y212 VanDerWaalsContact O-N 3.12Å; H201-L215 HydrophobicContact CB-CB 4.35Å; H201-L215 PolarHBondContact CD2-O 2.69Å; H201-L215 VanDerWaalsContact CD2-O 3.24Å; H201-I291 HydrophobicContact CB-CD1 3.93Å
202	T	58.8	Low	63.3	Low	34 Å²	34	68 Å²	68	21%	0.209	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142.3	-179.5	56.1	0	0	0	0	112.3	Y204 S205 S210	T202-Y204 VanDerWaalsContact C-N 3.31Å; T202-Y204 PolarHBondContact O-N 3.19Å; T202-S205 PolarHBondContact OG1-O 2.89Å; T202-S210 VanDerWaalsContact CA-O 3.31Å; T202-S210 WeakPolarHBondContact CA-O 3.45Å
203	F	52.3	Low	63	Low	6 Å²	6	65.8 Å²	65.8	3%	0.026	32%	0.321	C	S	.	.	S	Bend	trans	-69.2	-23.5	-179.6	-74.2	-68	0	0	0	115.4	S210 D211 Y212 L215 F227 I231 Y285 S288	F203-S210 VanDerWaalsContact CD2-O 3.29Å; F203-S210 WeakPolarHBondContact CD2-O 3.36Å; F203-S210 PolarHBondContact N-O 2.76Å; F203-S210 VanDerWaalsContact N-O 3.08Å; F203-D211 WeakPolarHBondContact CE2-O 3.46Å; F203-Y212 HydrophobicContact CB-CE2 3.5Å; F203-Y212 VanDerWaalsContact CB-CE2 3.5Å; F203-Y212 AromaticContact CD1-CD2 3.95Å; F203-Y212 HydrophobicContact CD1-CD2 3.95Å; F203-Y212 AromaticContact CD1-CE1 4Å; F203-Y212 HydrophobicContact CD1-CE1 4Å; F203-Y212 AromaticContact CD1-CE2 2.35Å; F203-Y212 HydrophobicContact CD1-CE2 2.35Å; F203-Y212 AromaticContact CD1-CZ 2.37Å; F203-Y212 WeakPolarHBondContact CD1-OH 3.44Å; F203-Y212 AromaticContact CD2-CD1 3.98Å; F203-Y212 HydrophobicContact CD2-CD1 3.98Å; F203-Y212 AromaticContact CD2-CD2 3.35Å; F203-Y212 HydrophobicContact CD2-CD2 3.35Å; F203-Y212 AromaticContact CD2-CE1 3.38Å; F203-Y212 HydrophobicContact CD2-CE1 3.38Å; F203-Y212 AromaticContact CD2-CE2 2.32Å; F203-Y212 HydrophobicContact CD2-CE2 2.32Å; F203-Y212 AromaticContact CD2-CG 3.96Å; F203-Y212 HydrophobicContact CD2-CG 3.96Å; F203-Y212 AromaticContact CD2-CZ 2.32Å; F203-Y212 WeakPolarHBondContact CD2-OH 3.23Å; F203-Y212 AromaticContact CE1-CD1 3.98Å; F203-Y212 HydrophobicContact CE1-CD1 3.98Å; F203-Y212 AromaticContact CE1-CD2 3.36Å; F203-Y212 HydrophobicContact CE1-CD2 3.36Å; F203-Y212 AromaticContact CE1-CE1 3.37Å; F203-Y212 HydrophobicContact CE1-CE1 3.37Å; F203-Y212 AromaticContact CE1-CE2 2.32Å; F203-Y212 HydrophobicContact CE1-CE2 2.32Å; F203-Y212 AromaticContact CE1-CG 3.97Å; F203-Y212 HydrophobicContact CE1-CG 3.97Å; F203-Y212 AromaticContact CE1-CZ 2.32Å; F203-Y212 WeakPolarHBondContact CE1-OH 3.13Å; F203-Y212 AromaticContact CE2-CD1 2.36Å; F203-Y212 HydrophobicContact CE2-CD1 2.36Å; F203-Y212 AromaticContact CE2-CD2 2.33Å; F203-Y212 HydrophobicContact CE2-CD2 2.33Å; F203-Y212 AromaticContact CE2-CE1 2.32Å; F203-Y212 HydrophobicContact CE2-CE1 2.32Å; F203-Y212 AromaticContact CE2-CE2 2.13Å; F203-Y212 HydrophobicContact CE2-CE2 2.13Å; F203-Y212 AromaticContact CE2-CG 2.35Å; F203-Y212 HydrophobicContact CE2-CG 2.35Å; F203-Y212 AromaticContact CE2-CZ 2.13Å; F203-Y212 WeakPolarHBondContact CE2-OH 3.41Å; F203-Y212 AromaticContact CG-CD2 3.94Å; F203-Y212 HydrophobicContact CG-CD2 3.94Å; F203-Y212 HydrophobicContact CG-CE1 4Å; F203-Y212 AromaticContact CG-CE2 2.33Å; F203-Y212 HydrophobicContact CG-CE2 2.33Å; F203-Y212 AromaticContact CG-CZ 2.38Å; F203-Y212 WeakPolarHBondContact CG-OH 3.41Å; F203-Y212 AromaticContact CZ-CD1 2.36Å; F203-Y212 HydrophobicContact CZ-CD1 2.36Å; F203-Y212 AromaticContact CZ-CD2 2.32Å; F203-Y212 HydrophobicContact CZ-CD2 2.32Å; F203-Y212 AromaticContact CZ-CE1 2.31Å; F203-Y212 HydrophobicContact CZ-CE1 2.31Å; F203-Y212 AromaticContact CZ-CE2 2.13Å; F203-Y212 HydrophobicContact CZ-CE2 2.13Å; F203-Y212 AromaticContact CZ-CG 2.36Å; F203-Y212 HydrophobicContact CZ-CG 2.36Å; F203-Y212 AromaticContact CZ-CZ 2.13Å; F203-Y212 WeakPolarHBondContact CZ-OH 3.44Å; F203-L215 HydrophobicContact CZ-CD1 4.42Å; F203-F227 HydrophobicContact CE1-CE1 4.04Å; F203-F227 AromaticContact CE1-CZ 3.65Å; F203-F227 HydrophobicContact CE1-CZ 3.65Å; F203-F227 AromaticContact CZ-CE1 3.44Å; F203-F227 HydrophobicContact CZ-CE1 3.44Å; F203-F227 VanDerWaalsContact CZ-CE1 3.44Å; F203-F227 HydrophobicContact CZ-CE2 4.15Å; F203-F227 AromaticContact CZ-CZ 3.12Å; F203-F227 HydrophobicContact CZ-CZ 3.12Å; F203-I231 HydrophobicContact CE1-CD1 4.18Å; F203-Y285 AromaticContact CD1-CD1 3.72Å; F203-Y285 HydrophobicContact CD1-CD1 3.72Å; F203-Y285 HydrophobicContact CD1-CG 4.37Å; F203-Y285 HydrophobicContact CE1-CD1 4.17Å; F203-S288 WeakPolarHBondContact CA-OG 3.41Å; F203-S288 WeakPolarHBondContact CD1-OG 3.39Å; F203-S288 WeakPolarHBondContact CE1-OG 3.37Å
204	Y	50.1	Low	63.2	Low	17 Å²	17	59.4 Å²	59.4	7%	0.067	28%	0.283	C	S	.	.	S	Bend	trans	-133.2	-63.2	-164.2	-45.1	-75.1	0	0	0	110.5	P88 I90 G93 Y95 T202 P284 N287	P88-Y204 WeakPolarHBondContact CG-OH 3.17Å; I90-Y204 HydrophobicContact CD1-CD1 4.17Å; I90-Y204 HydrophobicContact CD1-CE1 3.36Å; I90-Y204 HydrophobicContact CG1-CD1 3.98Å; I90-Y204 HydrophobicContact CG1-CE1 3.54Å; I90-Y204 HydrophobicContact CG2-CD1 4.18Å; I90-Y204 HydrophobicContact CG2-CE1 4.45Å; G93-Y204 CarbonylContact O-C 3.5Å; G93-Y204 WeakPolarHBondContact O-CA 3.48Å; G93-Y204 VanDerWaalsContact O-CB 3.25Å; G93-Y204 WeakPolarHBondContact O-CB 3.03Å; Y95-Y204 HydrophobicContact CD1-CD2 4.32Å; Y95-Y204 HydrophobicContact CD1-CE2 4.24Å; Y95-Y204 HydrophobicContact CD2-CD2 4.14Å; Y95-Y204 AromaticContact CD2-CE2 3.44Å; Y95-Y204 HydrophobicContact CD2-CE2 3.44Å; Y95-Y204 VanDerWaalsContact CD2-CE2 3.44Å; Y95-Y204 AromaticContact CD2-CZ 3.77Å; Y95-Y204 HydrophobicContact CE2-CE2 4.29Å; Y95-Y204 AromaticContact CG-CD2 3.65Å; Y95-Y204 HydrophobicContact CG-CD2 3.65Å; Y95-Y204 AromaticContact CG-CE2 3.43Å; Y95-Y204 HydrophobicContact CG-CE2 3.43Å; Y95-Y204 VanDerWaalsContact CG-CE2 3.43Å; Y95-Y204 HydrophobicContact CG-CG 4.43Å; T202-Y204 VanDerWaalsContact C-N 3.31Å; T202-Y204 PolarHBondContact O-N 3.19Å; Y204-P284 WeakPolarHBondContact CE1-O 3.5Å; Y204-N287 PolarHBondContact O-ND2 2.89Å
205	S	49.2	Very low	63.3	Low	32 Å²	32	50.8 Å²	50.8	22%	0.224	25%	0.25	C	C	.	.			trans	-157.8	167.2	168.8	56.3	0	0	0	0	112.1	T202 H207 T208	T202-S205 PolarHBondContact OG1-O 2.89Å; S205-H207 PolarHBondContact O-N 2.83Å; S205-T208 PolarHBondContact N-OG1 2.69Å; S205-T208 VanDerWaalsContact N-OG1 3.11Å; S205-T208 WeakPolarHBondContact O-CA 3.25Å; S205-T208 PolarHBondContact O-N 3.41Å; S205-T208 PolarHBondContact O-OG1 3.2Å
206	E	51.5	Low	63.5	Low	174 Å²	174	47.3 Å²	47.3	81%	0.813	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.6	172.9	-58.1	-178	162.7	0	0	113.5
207	H	44.1	Very low	63.7	Low	172 Å²	172	45.8 Å²	45.8	80%	0.796	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-19.9	178	-56.2	-17.9	0	0	0	112.5	S205	S205-H207 PolarHBondContact O-N 2.83Å
208	T	41.4	Very low	64.2	Low	9 Å²	9	41.5 Å²	41.5	6%	0.055	20%	0.202	C	C	.	.	S	Bend	trans	-88.8	121.4	168.2	65.8	0	0	0	0	109.1	I94 Y95 S205 S210	I94-T208 HydrophobicContact CG2-CG2 4.1Å; Y95-T208 WeakPolarHBondContact O-CG2 3.25Å; S205-T208 PolarHBondContact N-OG1 2.69Å; S205-T208 VanDerWaalsContact N-OG1 3.11Å; S205-T208 WeakPolarHBondContact O-CA 3.25Å; S205-T208 PolarHBondContact O-N 3.41Å; S205-T208 PolarHBondContact O-OG1 3.2Å; T208-S210 PolarHBondContact O-N 2.95Å
209	R	46.9	Very low	64.9	Low	136 Å²	136	41.3 Å²	41.3	51%	0.513	20%	0.2	S	C	.	.			trans	-70.3	6.8	178.7	-73.5	-175.7	-179.3	169.3	0.3	114.2	K70 H71 D211	K70-R209 CarbonylContact C-O 3.52Å; K70-R209 WeakPolarHBondContact CA-O 3.39Å; H71-R209 HydrophobicContact CB-CB 3.7Å; H71-R209 WeakPolarHBondContact CB-O 3.48Å; H71-R209 PolarHBondContact N-O 2.88Å; R209-D211 PolarHBondContact O-N 3.33Å; R209-D211 VanDerWaalsContact O-N 3.1Å
210	S	47.4	Very low	65.6	Low	5 Å²	5	41.2 Å²	41.2	4%	0.035	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-80.8	90.2	-174.2	-50.4	0	0	0	0	110.2	Y95 T202 F203 T208	Y95-S210 WeakPolarHBondContact CD1-OG 3.12Å; Y95-S210 WeakPolarHBondContact CE1-OG 3.45Å; T202-S210 VanDerWaalsContact CA-O 3.31Å; T202-S210 WeakPolarHBondContact CA-O 3.45Å; F203-S210 VanDerWaalsContact CD2-O 3.29Å; F203-S210 WeakPolarHBondContact CD2-O 3.36Å; F203-S210 PolarHBondContact N-O 2.76Å; F203-S210 VanDerWaalsContact N-O 3.08Å; T208-S210 PolarHBondContact O-N 2.95Å
211	D	52	Low	66.6	Low	18 Å²	18	40.2 Å²	40.2	10%	0.096	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	167.7	-179.7	78.8	-60.1	0	0	0	112.6	K70 H201 F203 R209	K70-D211 WeakPolarHBondContact CA-OD1 3.26Å; K70-D211 WeakPolarHBondContact CB-OD1 3.34Å; K70-D211 VanDerWaalsContact CD-OD1 3.23Å; K70-D211 WeakPolarHBondContact CD-OD1 3.22Å; K70-D211 WeakPolarHBondContact CD-OD2 3.14Å; K70-D211 WeakPolarHBondContact CE-OD2 3.44Å; K70-D211 WeakPolarHBondContact CG-OD1 3.14Å; K70-D211 IonicContact NZ-OD2 3.75Å; K70-D211 PolarHBondContact NZ-OD2 3.26Å; H201-D211 VanDerWaalsContact O-CA 3.25Å; H201-D211 WeakPolarHBondContact O-CA 3.12Å; F203-D211 WeakPolarHBondContact CE2-O 3.46Å; R209-D211 PolarHBondContact O-N 3.33Å; R209-D211 VanDerWaalsContact O-N 3.1Å
212	Y	59.3	Low	67.7	Low	8 Å²	8	40.9 Å²	40.9	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.1	166	-47.4	-92.4	0	0	0	111.3	I152 H201 F203 R214 L215 F227 Y285 S288	I152-Y212 HydrophobicContact CD1-CE1 4.37Å; H201-Y212 WeakPolarHBondContact O-CD2 3.46Å; H201-Y212 PolarHBondContact O-N 2.9Å; H201-Y212 VanDerWaalsContact O-N 3.12Å; F203-Y212 HydrophobicContact CB-CE2 3.5Å; F203-Y212 VanDerWaalsContact CB-CE2 3.5Å; F203-Y212 AromaticContact CD1-CD2 3.95Å; F203-Y212 HydrophobicContact CD1-CD2 3.95Å; F203-Y212 AromaticContact CD1-CE1 4Å; F203-Y212 HydrophobicContact CD1-CE1 4Å; F203-Y212 AromaticContact CD1-CE2 2.35Å; F203-Y212 HydrophobicContact CD1-CE2 2.35Å; F203-Y212 AromaticContact CD1-CZ 2.37Å; F203-Y212 WeakPolarHBondContact CD1-OH 3.44Å; F203-Y212 AromaticContact CD2-CD1 3.98Å; F203-Y212 HydrophobicContact CD2-CD1 3.98Å; F203-Y212 AromaticContact CD2-CD2 3.35Å; F203-Y212 HydrophobicContact CD2-CD2 3.35Å; F203-Y212 AromaticContact CD2-CE1 3.38Å; F203-Y212 HydrophobicContact CD2-CE1 3.38Å; F203-Y212 AromaticContact CD2-CE2 2.32Å; F203-Y212 HydrophobicContact CD2-CE2 2.32Å; F203-Y212 AromaticContact CD2-CG 3.96Å; F203-Y212 HydrophobicContact CD2-CG 3.96Å; F203-Y212 AromaticContact CD2-CZ 2.32Å; F203-Y212 WeakPolarHBondContact CD2-OH 3.23Å; F203-Y212 AromaticContact CE1-CD1 3.98Å; F203-Y212 HydrophobicContact CE1-CD1 3.98Å; F203-Y212 AromaticContact CE1-CD2 3.36Å; F203-Y212 HydrophobicContact CE1-CD2 3.36Å; F203-Y212 AromaticContact CE1-CE1 3.37Å; F203-Y212 HydrophobicContact CE1-CE1 3.37Å; F203-Y212 AromaticContact CE1-CE2 2.32Å; F203-Y212 HydrophobicContact CE1-CE2 2.32Å; F203-Y212 AromaticContact CE1-CG 3.97Å; F203-Y212 HydrophobicContact CE1-CG 3.97Å; F203-Y212 AromaticContact CE1-CZ 2.32Å; F203-Y212 WeakPolarHBondContact CE1-OH 3.13Å; F203-Y212 AromaticContact CE2-CD1 2.36Å; F203-Y212 HydrophobicContact CE2-CD1 2.36Å; F203-Y212 AromaticContact CE2-CD2 2.33Å; F203-Y212 HydrophobicContact CE2-CD2 2.33Å; F203-Y212 AromaticContact CE2-CE1 2.32Å; F203-Y212 HydrophobicContact CE2-CE1 2.32Å; F203-Y212 AromaticContact CE2-CE2 2.13Å; F203-Y212 HydrophobicContact CE2-CE2 2.13Å; F203-Y212 AromaticContact CE2-CG 2.35Å; F203-Y212 HydrophobicContact CE2-CG 2.35Å; F203-Y212 AromaticContact CE2-CZ 2.13Å; F203-Y212 WeakPolarHBondContact CE2-OH 3.41Å; F203-Y212 AromaticContact CG-CD2 3.94Å; F203-Y212 HydrophobicContact CG-CD2 3.94Å; F203-Y212 HydrophobicContact CG-CE1 4Å; F203-Y212 AromaticContact CG-CE2 2.33Å; F203-Y212 HydrophobicContact CG-CE2 2.33Å; F203-Y212 AromaticContact CG-CZ 2.38Å; F203-Y212 WeakPolarHBondContact CG-OH 3.41Å; F203-Y212 AromaticContact CZ-CD1 2.36Å; F203-Y212 HydrophobicContact CZ-CD1 2.36Å; F203-Y212 AromaticContact CZ-CD2 2.32Å; F203-Y212 HydrophobicContact CZ-CD2 2.32Å; F203-Y212 AromaticContact CZ-CE1 2.31Å; F203-Y212 HydrophobicContact CZ-CE1 2.31Å; F203-Y212 AromaticContact CZ-CE2 2.13Å; F203-Y212 HydrophobicContact CZ-CE2 2.13Å; F203-Y212 AromaticContact CZ-CG 2.36Å; F203-Y212 HydrophobicContact CZ-CG 2.36Å; F203-Y212 AromaticContact CZ-CZ 2.13Å; F203-Y212 WeakPolarHBondContact CZ-OH 3.44Å; Y212-R214 VanDerWaalsContact CB-N 3.34Å; Y212-L215 HydrophobicContact CD2-CD1 4.3Å; Y212-F227 HydrophobicContact CD1-CE1 4.15Å; Y212-F227 HydrophobicContact CD1-CE2 4.01Å; Y212-F227 AromaticContact CD1-CZ 3.68Å; Y212-F227 HydrophobicContact CD1-CZ 3.68Å; Y212-F227 HydrophobicContact CE1-CE1 4.39Å; Y212-F227 AromaticContact CE1-CE2 3.71Å; Y212-F227 HydrophobicContact CE1-CE2 3.71Å; Y212-F227 AromaticContact CE1-CZ 3.45Å; Y212-F227 HydrophobicContact CE1-CZ 3.45Å; Y212-F227 VanDerWaalsContact CE1-CZ 3.45Å; Y212-Y285 WeakPolarHBondContact OH-CD1 3.45Å; Y212-Y285 VanDerWaalsContact OH-CE1 3.29Å; Y212-Y285 WeakPolarHBondContact OH-CE1 3.46Å; Y212-S288 WeakPolarHBondContact CE2-OG 3.42Å
213	G	60.2	Low	69.1	Low	27 Å²	27	42.1 Å²	42.1	28%	0.278	20%	0.202	S	C	.	.	S	Bend	trans	-61	-32.2	147.3	0	0	0	0	0	112.5	F189 L215 N216	F189-G213 VanDerWaalsContact CE2-CA 3.41Å; G213-L215 PolarHBondContact O-N 2.78Å; G213-N216 PolarHBondContact O-N 3.46Å
214	R	74.6	Confident	70.8	Confident	46 Å²	46	42.3 Å²	42.3	17%	0.174	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.1	-167.6	-60.1	-136.5	-176.6	133	7	118.1	D151 I152 Y212 N216 N224 F227	D151-R214 IonicContact OD1-CZ 3.79Å; D151-R214 VanDerWaalsContact OD1-CZ 3.32Å; D151-R214 IonicContact OD1-NH1 3.6Å; D151-R214 PolarHBondContact OD1-NH1 2.95Å; D151-R214 IonicContact OD1-NH2 3.54Å; D151-R214 PolarHBondContact OD1-NH2 3.43Å; D151-R214 IonicContact OD2-CZ 2.97Å; D151-R214 IonicContact OD2-NH1 2.71Å; D151-R214 IonicContact OD2-NH2 2.81Å; D151-R214 PolarHBondContact OD2-NH2 2.76Å; I152-R214 PolarHBondContact O-NH1 3.44Å; Y212-R214 VanDerWaalsContact CB-N 3.34Å; R214-N216 VanDerWaalsContact C-N 3.34Å; R214-N224 VanDerWaalsContact CA-OD1 3.32Å; R214-N224 WeakPolarHBondContact CA-OD1 3.26Å; R214-N224 HydrophobicContact CB-CB 4.34Å; R214-N224 WeakPolarHBondContact CB-OD1 3.44Å; R214-N224 WeakPolarHBondContact CD-OD1 3.46Å; R214-N224 WeakPolarHBondContact CG-OD1 3.34Å; R214-N224 WeakPolarHBondContact O-CB 3.47Å; R214-F227 HydrophobicContact CB-CB 4.13Å; R214-F227 HydrophobicContact CB-CD1 3.81Å; R214-F227 HydrophobicContact CB-CD2 4.45Å; R214-F227 HydrophobicContact CB-CG 3.82Å; R214-F227 HydrophobicContact CG-CG 4.45Å
215	L	84	Confident	72.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	32.6	168.3	-67.6	-175.6	0	0	0	111.6	L183 H201 F203 Y212 G213 F227 A228 I231 L292	L183-L215 WeakPolarHBondContact CD2-O 3.43Å; H201-L215 HydrophobicContact CB-CB 4.35Å; H201-L215 PolarHBondContact CD2-O 2.69Å; H201-L215 VanDerWaalsContact CD2-O 3.24Å; F203-L215 HydrophobicContact CZ-CD1 4.42Å; Y212-L215 HydrophobicContact CD2-CD1 4.3Å; G213-L215 PolarHBondContact O-N 2.78Å; L215-F227 HydrophobicContact CD2-CD1 3.97Å; L215-F227 HydrophobicContact CD2-CE1 3.97Å; L215-F227 HydrophobicContact CG-CD1 4.4Å; L215-F227 HydrophobicContact CG-CE1 4.09Å; L215-A228 HydrophobicContact CD2-CB 4.13Å; L215-I231 HydrophobicContact CD1-CD1 4.3Å; L215-I231 HydrophobicContact CD2-CD1 4.47Å; L215-L292 HydrophobicContact CD2-CD2 3.94Å
216	N	87.3	Confident	74.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-137.5	170.7	168.5	-70.6	-101.6	0	0	0	107.7	L183 C187 F189 C198 T199 G213 R214 L218 N224	L183-N216 CarbonylContact O-C 3.5Å; L183-N216 WeakPolarHBondContact O-CA 3.49Å; C187-N216 VanDerWaalsContact SG-CB 3.6Å; C187-N216 PolarHBondContact SG-OD1 3.06Å; F189-N216 HydrophobicContact CE2-CB 4.46Å; C198-N216 HydrophobicContact CB-CB 4.29Å; C198-N216 WeakPolarHBondContact CB-OD1 3.01Å; T199-N216 PolarHBondContact N-OD1 2.8Å; T199-N216 PolarHBondContact O-ND2 3.34Å; G213-N216 PolarHBondContact O-N 3.46Å; R214-N216 VanDerWaalsContact C-N 3.34Å; N216-L218 PolarHBondContact O-N 3.43Å; N216-L218 VanDerWaalsContact O-N 3.14Å; N216-N224 PolarHBondContact O-ND2 3.48Å
217	N	92.4	Very high	76.5	Confident	30 Å²	30	33 Å²	33	16%	0.16	16%	0.156	C	C	.	.			trans	55.7	27.9	177	-61.3	-29.3	0	0	0	113.7	L183 R185 K186 C187 A219 Y220 D221	L183-N217 PolarHBondContact O-N 3.05Å; R185-N217 PolarHBondContact O-OD1 2.03Å; K186-N217 VanDerWaalsContact CA-OD1 3.26Å; K186-N217 WeakPolarHBondContact CA-OD1 3.47Å; C187-N217 PolarHBondContact N-OD1 2.88Å; C187-N217 PolarHBondContact O-ND2 3.04Å; C187-N217 VanDerWaalsContact O-ND2 3.08Å; C187-N217 PolarHBondContact O-OD1 3.46Å; C187-N217 PolarHBondContact SG-OD1 3.18Å; C187-N217 VanDerWaalsContact SG-OD1 3.36Å; N217-A219 PolarHBondContact O-N 2.64Å; N217-Y220 CarbonylContact O-C 3.58Å; N217-Y220 WeakPolarHBondContact O-CA 3.18Å; N217-Y220 PolarHBondContact O-N 3.02Å; N217-D221 PolarHBondContact O-N 2.98Å
218	L	94.6	Very high	78.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.4	-171.8	-61.9	178.1	0	0	0	112.8	Y177 L183 N216 Y220 N224 A228 F240 C246	Y177-L218 HydrophobicContact CD1-CD1 4.16Å; Y177-L218 HydrophobicContact CD2-CB 4.47Å; Y177-L218 HydrophobicContact CD2-CD1 3.37Å; Y177-L218 HydrophobicContact CE2-CD1 3.8Å; Y177-L218 HydrophobicContact CG-CD1 3.58Å; L183-L218 HydrophobicContact CB-CD1 3.57Å; L183-L218 HydrophobicContact CB-CG 4.11Å; L183-L218 HydrophobicContact CD1-CD1 4.16Å; L183-L218 PolarHBondContact O-N 3.39Å; N216-L218 PolarHBondContact O-N 3.43Å; N216-L218 VanDerWaalsContact O-N 3.14Å; L218-Y220 VanDerWaalsContact C-N 3.3Å; L218-N224 VanDerWaalsContact CD2-C 3.49Å; L218-N224 HydrophobicContact CD2-CB 3.85Å; L218-N224 WeakPolarHBondContact CD2-O 3.39Å; L218-A228 HydrophobicContact CD2-CB 4.19Å; L218-F240 WeakPolarHBondContact O-CE2 3.22Å; L218-C246 HydrophobicContact CB-CB 3.97Å; L218-C246 WeakPolarHBondContact O-CB 3.3Å
219	A	96.5	Very high	81.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.8	175.7	0	0	0	0	0	114.1	A179 G184 N217 E243	A179-A219 HydrophobicContact CB-CB 4.22Å; G184-A219 WeakPolarHBondContact O-CB 3.18Å; G184-A219 PolarHBondContact O-N 3.43Å; G184-A219 VanDerWaalsContact O-N 3.16Å; N217-A219 PolarHBondContact O-N 2.64Å; A219-E243 PolarHBondContact O-N 2.75Å
220	Y	94.9	Very high	83	Confident	50 Å²	50	18 Å²	18	20%	0.196	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-12.5	-175.1	-65.3	-90.1	0	0	0	113.5	A179 G184 K186 N217 L218 Y242 E243	A179-Y220 HydrophobicContact CB-CE2 3.9Å; G184-Y220 VanDerWaalsContact O-CD2 3.3Å; G184-Y220 WeakPolarHBondContact O-CD2 3.44Å; K186-Y220 HydrophobicContact CB-CD1 4.42Å; K186-Y220 HydrophobicContact CB-CD2 3.89Å; K186-Y220 HydrophobicContact CB-CE1 4.18Å; K186-Y220 HydrophobicContact CB-CE2 3.66Å; K186-Y220 HydrophobicContact CB-CG 4.27Å; K186-Y220 HydrophobicContact CD-CD1 3.62Å; K186-Y220 HydrophobicContact CD-CD2 4.49Å; K186-Y220 HydrophobicContact CD-CE1 3.64Å; K186-Y220 HydrophobicContact CD-CG 4.05Å; K186-Y220 HydrophobicContact CG-CD1 4.28Å; K186-Y220 HydrophobicContact CG-CD2 4.31Å; K186-Y220 HydrophobicContact CG-CE1 4.4Å; K186-Y220 HydrophobicContact CG-CE2 4.47Å; K186-Y220 HydrophobicContact CG-CG 4.22Å; N217-Y220 CarbonylContact O-C 3.58Å; N217-Y220 WeakPolarHBondContact O-CA 3.18Å; N217-Y220 PolarHBondContact O-N 3.02Å; L218-Y220 VanDerWaalsContact C-N 3.3Å; Y220-Y242 HydrophobicContact CD1-CE2 4.34Å; Y220-Y242 WeakPolarHBondContact O-CD2 3.31Å; Y220-Y242 VanDerWaalsContact O-CE2 3.22Å; Y220-Y242 WeakPolarHBondContact O-CE2 3.19Å; Y220-E243 HydrophobicContact CD1-CB 3.93Å; Y220-E243 HydrophobicContact CD1-CG 3.6Å; Y220-E243 HydrophobicContact CE1-CB 3.39Å; Y220-E243 VanDerWaalsContact CE1-CD 3.49Å; Y220-E243 HydrophobicContact CE1-CG 3.43Å; Y220-E243 VanDerWaalsContact CE1-CG 3.43Å; Y220-E243 WeakPolarHBondContact CE1-OE1 3.16Å
221	D	91.6	Very high	84.7	Confident	60 Å²	60	17.7 Å²	17.7	32%	0.321	9%	0.089	S	C	.	.			trans	-139	112.9	-179.4	-175.6	-8.3	0	0	0	110.6	N217 E223 N224 C225	N217-D221 PolarHBondContact O-N 2.98Å; D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 3Å; D221-E223 VanDerWaalsContact OD1-CB 3.3Å; D221-E223 WeakPolarHBondContact OD1-CB 3.36Å; D221-E223 PolarHBondContact OD1-N 2.74Å; D221-N224 HydrophobicContact CB-CB 4.04Å; D221-N224 WeakPolarHBondContact CB-ND2 3.38Å; D221-N224 WeakPolarHBondContact O-CB 3.47Å; D221-N224 PolarHBondContact O-N 2.66Å; D221-N224 VanDerWaalsContact O-N 3.08Å; D221-N224 VanDerWaalsContact OD2-CG 3.23Å; D221-N224 PolarHBondContact OD2-ND2 2.09Å; D221-N224 PolarHBondContact OD2-OD1 2.74Å; D221-C225 PolarHBondContact O-N 3.15Å
222	I	92.1	Very high	86.4	Confident	34 Å²	34	17.3 Å²	17.3	17%	0.174	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-26.6	-179.9	-163.5	168.7	0	0	0	112.1	N224 C225 R226 I238 F240 I264 E266	I222-N224 PolarHBondContact O-N 2.94Å; I222-C225 PolarHBondContact O-N 2.95Å; I222-R226 WeakPolarHBondContact O-CB 3.48Å; I222-R226 PolarHBondContact O-N 2.71Å; I222-I238 HydrophobicContact CD1-CD1 4.46Å; I222-I238 HydrophobicContact CG1-CD1 3.92Å; I222-F240 HydrophobicContact CB-CD1 3.95Å; I222-F240 HydrophobicContact CB-CD2 4.23Å; I222-F240 HydrophobicContact CB-CE1 3.93Å; I222-F240 HydrophobicContact CB-CE2 4.2Å; I222-F240 HydrophobicContact CB-CG 4.1Å; I222-F240 HydrophobicContact CB-CZ 4.06Å; I222-F240 HydrophobicContact CD1-CB 4.11Å; I222-F240 HydrophobicContact CD1-CD1 3.91Å; I222-F240 HydrophobicContact CD1-CG 4.09Å; I222-F240 HydrophobicContact CG1-CB 4.16Å; I222-F240 HydrophobicContact CG1-CD1 4.03Å; I222-F240 HydrophobicContact CG1-CD2 4.31Å; I222-F240 HydrophobicContact CG1-CG 3.91Å; I222-I264 HydrophobicContact CD1-CG2 4.3Å; I222-E266 HydrophobicContact CD1-CG 4.3Å; I222-E266 WeakPolarHBondContact CD1-OE1 3.41Å
223	E	87.8	Confident	87.4	Confident	60 Å²	60	20.4 Å²	20.4	28%	0.28	10%	0.103	S	C	.	.	H	α-helix	trans	-67.1	-29.9	172.9	-61.7	-60.8	140.4	0	0	111.5	D221 R226 F227	D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 3Å; D221-E223 VanDerWaalsContact OD1-CB 3.3Å; D221-E223 WeakPolarHBondContact OD1-CB 3.36Å; D221-E223 PolarHBondContact OD1-N 2.74Å; E223-R226 IonicContact OE1-CZ 3.88Å; E223-R226 IonicContact OE1-NH1 2.94Å; E223-R226 PolarHBondContact OE1-NH1 3.38Å; E223-R226 IonicContact OE1-NH2 2.09Å; E223-R226 IonicContact OE2-NH1 3.19Å; E223-R226 PolarHBondContact OE2-NH1 3.44Å; E223-F227 WeakPolarHBondContact O-CB 3.22Å; E223-F227 PolarHBondContact O-N 3.23Å
224	N	89.6	Confident	88.8	Confident	9 Å²	9	24.7 Å²	24.7	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-78.9	-41.9	176.8	-60.6	-14.9	0	0	0	110.5	R214 N216 L218 D221 I222 F227 A228	R214-N224 VanDerWaalsContact CA-OD1 3.32Å; R214-N224 WeakPolarHBondContact CA-OD1 3.26Å; R214-N224 HydrophobicContact CB-CB 4.34Å; R214-N224 WeakPolarHBondContact CB-OD1 3.44Å; R214-N224 WeakPolarHBondContact CD-OD1 3.46Å; R214-N224 WeakPolarHBondContact CG-OD1 3.34Å; R214-N224 WeakPolarHBondContact O-CB 3.47Å; N216-N224 PolarHBondContact O-ND2 3.48Å; L218-N224 VanDerWaalsContact CD2-C 3.49Å; L218-N224 HydrophobicContact CD2-CB 3.85Å; L218-N224 WeakPolarHBondContact CD2-O 3.39Å; D221-N224 HydrophobicContact CB-CB 4.04Å; D221-N224 WeakPolarHBondContact CB-ND2 3.38Å; D221-N224 WeakPolarHBondContact O-CB 3.47Å; D221-N224 PolarHBondContact O-N 2.66Å; D221-N224 VanDerWaalsContact O-N 3.08Å; D221-N224 VanDerWaalsContact OD2-CG 3.23Å; D221-N224 PolarHBondContact OD2-ND2 2.09Å; D221-N224 PolarHBondContact OD2-OD1 2.74Å; I222-N224 PolarHBondContact O-N 2.94Å; N224-F227 WeakPolarHBondContact O-CB 3.13Å; N224-F227 PolarHBondContact O-N 3.22Å; N224-A228 PolarHBondContact O-N 2.04Å
225	C	92.7	Very high	89.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-49	171.7	-170.3	0	0	0	0	112.3	D221 I222 F227 A228 C229 I238 F240 C246	D221-C225 PolarHBondContact O-N 3.15Å; I222-C225 PolarHBondContact O-N 2.95Å; C225-F227 VanDerWaalsContact C-N 3.34Å; C225-F227 PolarHBondContact O-N 3.47Å; C225-A228 PolarHBondContact O-N 2.77Å; C225-C229 PolarHBondContact O-N 2.77Å; C225-I238 HydrophobicContact CB-CD1 4.15Å; C225-F240 HydrophobicContact CB-CD2 3.97Å; C225-C246 WeakPolarHBondContact CA-SG 3.18Å; C225-C246 HydrophobicContact CB-CB 3.7Å; C225-C246 WeakPolarHBondContact CB-SG 3.3Å; C225-C246 WeakPolarHBondContact SG-CB 3.38Å; C225-C246 CovalentContact SG-SG 2.03Å; C225-C246 PolarHBondContact SG-SG 2.88Å
226	R	91.1	Very high	90	Very high	29 Å²	29	27 Å²	27	11%	0.109	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-39.7	175.6	-166.9	-170.9	-58.5	128.7	3.2	111.6	G153 W158 I222 E223 C229 A230 I238 E266	G153-R226 WeakPolarHBondContact O-CD 3.32Å; W158-R226 HydrophobicContact CD2-CG 3.73Å; W158-R226 HydrophobicContact CE3-CG 3.86Å; W158-R226 HydrophobicContact CG-CG 4.46Å; W158-R226 HydrophobicContact CH2-CG 3.7Å; W158-R226 HydrophobicContact CZ2-CG 3.53Å; W158-R226 HydrophobicContact CZ3-CG 3.85Å; I222-R226 WeakPolarHBondContact O-CB 3.48Å; I222-R226 PolarHBondContact O-N 2.71Å; E223-R226 IonicContact OE1-CZ 3.88Å; E223-R226 IonicContact OE1-NH1 2.94Å; E223-R226 PolarHBondContact OE1-NH1 3.38Å; E223-R226 IonicContact OE1-NH2 2.09Å; E223-R226 IonicContact OE2-NH1 3.19Å; E223-R226 PolarHBondContact OE2-NH1 3.44Å; R226-C229 PolarHBondContact O-N 2.94Å; R226-A230 WeakPolarHBondContact O-CB 3.18Å; R226-A230 PolarHBondContact O-N 2.76Å; R226-I238 HydrophobicContact CB-CD1 4.15Å; R226-E266 IonicContact CZ-OE1 2.64Å; R226-E266 IonicContact CZ-OE2 3.88Å; R226-E266 VanDerWaalsContact CZ-OE2 3.23Å; R226-E266 IonicContact NE-OE1 2.67Å; R226-E266 IonicContact NE-OE2 3.55Å; R226-E266 PolarHBondContact NE-OE2 3.22Å; R226-E266 VanDerWaalsContact NH2-CD 3.29Å; R226-E266 IonicContact NH2-OE1 2.66Å; R226-E266 PolarHBondContact NH2-OE1 3.03Å; R226-E266 IonicContact NH2-OE2 3.97Å; R226-E266 PolarHBondContact NH2-OE2 3.36Å
227	F	87.1	Confident	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.4	-46.7	173.4	174.7	-84.8	0	0	0	112	I152 F203 Y212 R214 L215 E223 N224 C225 A230 I231	I152-F227 HydrophobicContact CB-CD2 4.26Å; I152-F227 HydrophobicContact CB-CE2 3.89Å; I152-F227 HydrophobicContact CD1-CE2 4.06Å; I152-F227 HydrophobicContact CG2-CE2 4.24Å; I152-F227 WeakPolarHBondContact O-CD2 3.38Å; F203-F227 HydrophobicContact CE1-CE1 4.04Å; F203-F227 AromaticContact CE1-CZ 3.65Å; F203-F227 HydrophobicContact CE1-CZ 3.65Å; F203-F227 AromaticContact CZ-CE1 3.44Å; F203-F227 HydrophobicContact CZ-CE1 3.44Å; F203-F227 VanDerWaalsContact CZ-CE1 3.44Å; F203-F227 HydrophobicContact CZ-CE2 4.15Å; F203-F227 AromaticContact CZ-CZ 3.12Å; F203-F227 HydrophobicContact CZ-CZ 3.12Å; Y212-F227 HydrophobicContact CD1-CE1 4.15Å; Y212-F227 HydrophobicContact CD1-CE2 4.01Å; Y212-F227 AromaticContact CD1-CZ 3.68Å; Y212-F227 HydrophobicContact CD1-CZ 3.68Å; Y212-F227 HydrophobicContact CE1-CE1 4.39Å; Y212-F227 AromaticContact CE1-CE2 3.71Å; Y212-F227 HydrophobicContact CE1-CE2 3.71Å; Y212-F227 AromaticContact CE1-CZ 3.45Å; Y212-F227 HydrophobicContact CE1-CZ 3.45Å; Y212-F227 VanDerWaalsContact CE1-CZ 3.45Å; R214-F227 HydrophobicContact CB-CB 4.13Å; R214-F227 HydrophobicContact CB-CD1 3.81Å; R214-F227 HydrophobicContact CB-CD2 4.45Å; R214-F227 HydrophobicContact CB-CG 3.82Å; R214-F227 HydrophobicContact CG-CG 4.45Å; L215-F227 HydrophobicContact CD2-CD1 3.97Å; L215-F227 HydrophobicContact CD2-CE1 3.97Å; L215-F227 HydrophobicContact CG-CD1 4.4Å; L215-F227 HydrophobicContact CG-CE1 4.09Å; E223-F227 WeakPolarHBondContact O-CB 3.22Å; E223-F227 PolarHBondContact O-N 3.23Å; N224-F227 WeakPolarHBondContact O-CB 3.13Å; N224-F227 PolarHBondContact O-N 3.22Å; C225-F227 VanDerWaalsContact C-N 3.34Å; C225-F227 PolarHBondContact O-N 3.47Å; F227-A230 WeakPolarHBondContact O-CB 3.25Å; F227-A230 PolarHBondContact O-N 3.44Å; F227-A230 VanDerWaalsContact O-N 3.17Å; F227-I231 HydrophobicContact CE1-CD1 3.8Å; F227-I231 HydrophobicContact CE1-CG1 4.1Å; F227-I231 HydrophobicContact CE1-CG2 3.93Å; F227-I231 HydrophobicContact CE2-CG2 3.97Å; F227-I231 HydrophobicContact CZ-CD1 4.27Å; F227-I231 HydrophobicContact CZ-CG1 4.48Å; F227-I231 HydrophobicContact CZ-CG2 3.46Å; F227-I231 VanDerWaalsContact CZ-CG2 3.46Å; F227-I231 PolarHBondContact O-N 2.7Å; F227-I231 VanDerWaalsContact O-N 3.1Å
228	A	90.5	Very high	90.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-46	177.3	0	0	0	0	0	111.7	L215 L218 N224 C225 A230 I231 H232 L248 L292	L215-A228 HydrophobicContact CD2-CB 4.13Å; L218-A228 HydrophobicContact CD2-CB 4.19Å; N224-A228 PolarHBondContact O-N 2.04Å; C225-A228 PolarHBondContact O-N 2.77Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A228-A230 PolarHBondContact O-N 3.38Å; A228-I231 WeakPolarHBondContact O-CG1 3.49Å; A228-I231 PolarHBondContact O-N 2.85Å; A228-H232 WeakPolarHBondContact O-CB 3.31Å; A228-H232 PolarHBondContact O-N 2.8Å; A228-L248 HydrophobicContact CB-CD1 4.34Å; A228-L248 HydrophobicContact CB-CD2 4.23Å; A228-L292 HydrophobicContact CB-CD1 4.3Å; A228-L292 HydrophobicContact CB-CD2 3.89Å
229	C	91.6	Very high	90.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-33.5	174.3	-171.5	0	0	0	0	113.2	W158 C225 R226 H232 C235 I238 L248 K268	W158-C229 HydrophobicContact CH2-CB 3.8Å; W158-C229 HydrophobicContact CZ3-CB 4.16Å; C225-C229 PolarHBondContact O-N 2.77Å; R226-C229 PolarHBondContact O-N 2.94Å; C229-H232 PolarHBondContact O-N 2.79Å; C229-C235 VanDerWaalsContact CA-SG 3.52Å; C229-C235 HydrophobicContact CB-CB 3.99Å; C229-C235 WeakPolarHBondContact CB-SG 3.11Å; C229-C235 WeakPolarHBondContact O-CB 3.02Å; C229-C235 WeakPolarHBondContact SG-CB 3.24Å; C229-C235 CovalentContact SG-SG 2.04Å; C229-C235 PolarHBondContact SG-SG 3.35Å; C229-I238 HydrophobicContact CB-CG2 3.37Å; C229-L248 HydrophobicContact CB-CD2 3.76Å; C229-K268 PolarHBondContact O-NZ 2.81Å
230	A	86.8	Confident	90.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-51.1	178.1	0	0	0	0	0	111.3	I152 W158 R226 F227 A228 H232 K268 F274	I152-A230 HydrophobicContact CG2-CB 4.37Å; W158-A230 HydrophobicContact CZ2-CB 4.28Å; R226-A230 WeakPolarHBondContact O-CB 3.18Å; R226-A230 PolarHBondContact O-N 2.76Å; F227-A230 WeakPolarHBondContact O-CB 3.25Å; F227-A230 PolarHBondContact O-N 3.44Å; F227-A230 VanDerWaalsContact O-N 3.17Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A228-A230 PolarHBondContact O-N 3.38Å; A230-H232 VanDerWaalsContact C-N 3.29Å; A230-H232 PolarHBondContact O-N 3.25Å; A230-K268 PolarHBondContact O-NZ 3.33Å; A230-F274 VanDerWaalsContact O-CE2 3.24Å; A230-F274 WeakPolarHBondContact O-CE2 3.46Å
231	I	81.5	Confident	90.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.8	-21.3	178.4	66.4	160.2	0	0	0	113.5	I152 F203 L215 F227 A228 L233 Y283 Y285 V289 L292	I152-I231 HydrophobicContact CG2-CG2 4.06Å; F203-I231 HydrophobicContact CE1-CD1 4.18Å; L215-I231 HydrophobicContact CD1-CD1 4.3Å; L215-I231 HydrophobicContact CD2-CD1 4.47Å; F227-I231 HydrophobicContact CE1-CD1 3.8Å; F227-I231 HydrophobicContact CE1-CG1 4.1Å; F227-I231 HydrophobicContact CE1-CG2 3.93Å; F227-I231 HydrophobicContact CE2-CG2 3.97Å; F227-I231 HydrophobicContact CZ-CD1 4.27Å; F227-I231 HydrophobicContact CZ-CG1 4.48Å; F227-I231 HydrophobicContact CZ-CG2 3.46Å; F227-I231 VanDerWaalsContact CZ-CG2 3.46Å; F227-I231 PolarHBondContact O-N 2.7Å; F227-I231 VanDerWaalsContact O-N 3.1Å; A228-I231 WeakPolarHBondContact O-CG1 3.49Å; A228-I231 PolarHBondContact O-N 2.85Å; I231-L233 PolarHBondContact O-N 3.25Å; I231-Y283 WeakPolarHBondContact O-CE1 3.07Å; I231-Y283 PolarHBondContact O-OH 3.03Å; I231-Y285 HydrophobicContact CB-CD2 3.94Å; I231-Y285 HydrophobicContact CB-CG 4.15Å; I231-Y285 HydrophobicContact CG2-CD2 3.44Å; I231-Y285 VanDerWaalsContact CG2-CD2 3.44Å; I231-Y285 HydrophobicContact CG2-CE2 4.12Å; I231-Y285 HydrophobicContact CG2-CG 3.68Å; I231-V289 HydrophobicContact CB-CG2 4.42Å; I231-V289 HydrophobicContact CD1-CG2 4.21Å; I231-V289 HydrophobicContact CG1-CG2 4.29Å; I231-V289 WeakPolarHBondContact O-CG2 3.34Å; I231-L292 HydrophobicContact CD1-CD1 4.16Å; I231-L292 HydrophobicContact CG1-CD1 4.17Å
232	H	87.5	Confident	91.1	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.042	13%	0.134	C	C	.	.			trans	-77.7	110.8	175.1	-160.5	-92.2	0	0	0	111	A228 C229 A230 Q234 C235 L248 F250 K268 L292 V294	A228-H232 WeakPolarHBondContact O-CB 3.31Å; A228-H232 PolarHBondContact O-N 2.8Å; C229-H232 PolarHBondContact O-N 2.79Å; A230-H232 VanDerWaalsContact C-N 3.29Å; A230-H232 PolarHBondContact O-N 3.25Å; H232-Q234 VanDerWaalsContact C-N 3.27Å; H232-Q234 PolarHBondContact O-N 3.3Å; H232-C235 HydrophobicContact CB-CB 3.83Å; H232-C235 PolarHBondContact ND1-N 3.08Å; H232-C235 PolarHBondContact O-N 2.94Å; H232-C235 VanDerWaalsContact O-N 3.08Å; H232-L248 HydrophobicContact CB-CD1 4.48Å; H232-F250 AromaticContact CE1-CD1 3.92Å; H232-F250 AromaticContact CE1-CE1 3.51Å; H232-F250 AromaticContact ND1-CD1 3.75Å; H232-F250 AromaticContact ND1-CE1 3.38Å; H232-F250 WeakPolarHBondContact ND1-CE1 3.25Å; H232-K268 PolarHBondContact O-NZ 2.72Å; H232-L292 HydrophobicContact CB-CD1 4.24Å; H232-V294 WeakPolarHBondContact NE2-CB 3.2Å
233	L	82	Confident	91.3	Very high	73 Å²	73	31.9 Å²	31.9	38%	0.382	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-41.2	-174.8	-64.9	178.4	0	0	0	113.1	I231 F274 I276 Y283	I231-L233 PolarHBondContact O-N 3.25Å; L233-F274 HydrophobicContact CD2-CB 3.44Å; L233-F274 VanDerWaalsContact CD2-CB 3.44Å; L233-F274 HydrophobicContact CD2-CD2 4.46Å; L233-F274 HydrophobicContact CD2-CG 4.19Å; L233-I276 HydrophobicContact CD1-CD1 4.49Å; L233-Y283 HydrophobicContact CD2-CD2 4.16Å; L233-Y283 HydrophobicContact CD2-CE1 4.08Å; L233-Y283 HydrophobicContact CD2-CE2 3.63Å; L233-Y283 HydrophobicContact CG-CE1 4.29Å
234	Q	88.5	Confident	91.7	Very high	118 Å²	118	32.4 Å²	32.4	55%	0.551	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-15.1	-178	-64.5	171	-27.7	0	0	114	H232 K236 F250	H232-Q234 VanDerWaalsContact C-N 3.27Å; H232-Q234 PolarHBondContact O-N 3.3Å; Q234-K236 PolarHBondContact O-N 2.77Å; Q234-F250 HydrophobicContact CB-CD1 4.18Å
235	C	92.1	Very high	92.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	16%	0.156	C	C	.	.			trans	-67.8	133.8	-175.5	-174.1	0	0	0	0	111.2	C229 H232 A237 A249 F250 K268	C229-C235 VanDerWaalsContact CA-SG 3.52Å; C229-C235 HydrophobicContact CB-CB 3.99Å; C229-C235 WeakPolarHBondContact CB-SG 3.11Å; C229-C235 WeakPolarHBondContact O-CB 3.02Å; C229-C235 WeakPolarHBondContact SG-CB 3.24Å; C229-C235 CovalentContact SG-SG 2.04Å; C229-C235 PolarHBondContact SG-SG 3.35Å; H232-C235 HydrophobicContact CB-CB 3.83Å; H232-C235 PolarHBondContact ND1-N 3.08Å; H232-C235 PolarHBondContact O-N 2.94Å; H232-C235 VanDerWaalsContact O-N 3.08Å; C235-A237 PolarHBondContact SG-O 3.29Å; C235-A249 WeakPolarHBondContact CA-O 3.46Å; C235-F250 HydrophobicContact CB-CD1 4.31Å; C235-F250 HydrophobicContact CB-CE1 4.38Å; C235-K268 WeakPolarHBondContact O-CD 3.46Å
236	K	92.6	Very high	92.3	Very high	93 Å²	93	33.4 Å²	33.4	40%	0.404	16%	0.156	S	C	.	.			trans	-114.7	-28.7	-177.9	-57.9	-55.1	179.7	-172.5	0	112.7	Q234 A249 F250 K268	Q234-K236 PolarHBondContact O-N 2.77Å; K236-A249 PolarHBondContact N-O 2.79Å; K236-F250 WeakPolarHBondContact CG-O 3.34Å; K236-K268 VanDerWaalsContact O-CB 3.31Å; K236-K268 WeakPolarHBondContact O-CB 3.19Å; K236-K268 PolarHBondContact O-N 2.94Å
237	A	94.7	Very high	92.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159.9	176.9	0	0	0	0	0	111.1	M166 C235 A249 F252 I265 E266 L267	M166-A237 HydrophobicContact CE-CB 4.14Å; M166-A237 HydrophobicContact SD-CB 4.43Å; C235-A237 PolarHBondContact SG-O 3.29Å; A237-A249 HydrophobicContact CB-CB 4.3Å; A237-A249 PolarHBondContact N-O 2.71Å; A237-A249 PolarHBondContact O-N 2.92Å; A237-F252 HydrophobicContact CB-CD2 4.13Å; A237-I265 HydrophobicContact CB-CG2 4.47Å; A237-E266 CarbonylContact C-O 3.34Å; A237-E266 VanDerWaalsContact CA-O 3.26Å; A237-E266 WeakPolarHBondContact CA-O 3.4Å; A237-L267 HydrophobicContact CB-CD2 3.6Å
238	I	96.1	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.2	159.8	59.9	171.2	0	0	0	110.7	I222 C225 R226 C229 I247 L248 I265 E266	I222-I238 HydrophobicContact CD1-CD1 4.46Å; I222-I238 HydrophobicContact CG1-CD1 3.92Å; C225-I238 HydrophobicContact CB-CD1 4.15Å; R226-I238 HydrophobicContact CB-CD1 4.15Å; C229-I238 HydrophobicContact CB-CG2 3.37Å; I238-I247 CarbonylContact C-O 3.58Å; I238-I247 VanDerWaalsContact CA-O 3.23Å; I238-I247 WeakPolarHBondContact CA-O 3.24Å; I238-L248 HydrophobicContact CG2-CD2 3.86Å; I238-I265 CarbonylContact O-C 3.59Å; I238-I265 VanDerWaalsContact O-CA 3.23Å; I238-I265 WeakPolarHBondContact O-CA 3.32Å; I238-E266 HydrophobicContact CD1-CB 4.22Å; I238-E266 HydrophobicContact CD1-CG 4.29Å; I238-E266 HydrophobicContact CG1-CB 3.78Å; I238-E266 HydrophobicContact CG1-CG 4.27Å; I238-E266 PolarHBondContact N-O 3.49Å; I238-E266 PolarHBondContact O-N 3.3Å
239	E	97.3	Very high	93.3	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.037	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.9	154.4	-179.9	-166.6	136.1	0	0	108.1	N165 M166 H245 I247 T263 I264 I265	N165-E239 WeakPolarHBondContact CA-OE2 3.15Å; N165-E239 VanDerWaalsContact CB-CD 3.48Å; N165-E239 HydrophobicContact CB-CG 4.44Å; N165-E239 WeakPolarHBondContact CB-OE1 3.36Å; N165-E239 WeakPolarHBondContact CB-OE2 3.5Å; M166-E239 HydrophobicContact CE-CB 3.63Å; M166-E239 PolarHBondContact N-OE2 2.88Å; E239-H245 IonicContact OE1-CD2 3.89Å; E239-H245 IonicContact OE1-CE1 3.51Å; E239-H245 IonicContact OE1-NE2 2.79Å; E239-H245 PolarHBondContact OE1-NE2 2.86Å; E239-I247 HydrophobicContact CB-CB 4.15Å; E239-I247 PolarHBondContact N-O 2.81Å; E239-I247 PolarHBondContact O-N 3.37Å; E239-T263 HydrophobicContact CG-CG2 3.37Å; E239-I264 CarbonylContact C-O 3.52Å; E239-I264 WeakPolarHBondContact CA-O 3.21Å; E239-I265 HydrophobicContact CB-CG1 4.07Å; E239-I265 HydrophobicContact CG-CG1 4.1Å
240	F	97.6	Very high	93.4	Very high	13 Å²	13	34 Å²	34	6%	0.057	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.2	-176.2	-179.6	-95	0	0	0	110.6	L218 I222 C225 Y242 H245 C246 I264	L218-F240 WeakPolarHBondContact O-CE2 3.22Å; I222-F240 HydrophobicContact CB-CD1 3.95Å; I222-F240 HydrophobicContact CB-CD2 4.23Å; I222-F240 HydrophobicContact CB-CE1 3.93Å; I222-F240 HydrophobicContact CB-CE2 4.2Å; I222-F240 HydrophobicContact CB-CG 4.1Å; I222-F240 HydrophobicContact CB-CZ 4.06Å; I222-F240 HydrophobicContact CD1-CB 4.11Å; I222-F240 HydrophobicContact CD1-CD1 3.91Å; I222-F240 HydrophobicContact CD1-CG 4.09Å; I222-F240 HydrophobicContact CG1-CB 4.16Å; I222-F240 HydrophobicContact CG1-CD1 4.03Å; I222-F240 HydrophobicContact CG1-CD2 4.31Å; I222-F240 HydrophobicContact CG1-CG 3.91Å; C225-F240 HydrophobicContact CB-CD2 3.97Å; F240-Y242 HydrophobicContact CE1-CD2 4.5Å; F240-Y242 HydrophobicContact CZ-CD2 4.24Å; F240-H245 WeakPolarHBondContact CA-O 3.32Å; F240-C246 HydrophobicContact CD2-CB 4.4Å; F240-I264 PolarHBondContact N-O 2.78Å; F240-I264 PolarHBondContact O-N 3.2Å
241	L	97.3	Very high	93.7	Very high	42 Å²	42	38.1 Å²	38.1	22%	0.22	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112.8	171.4	-179.4	60.7	0	0	0	108.5	E243 V244 H245 T263	L241-E243 PolarHBondContact O-N 3.01Å; L241-V244 HydrophobicContact CB-CB 4.18Å; L241-V244 HydrophobicContact CD2-CB 3.89Å; L241-V244 HydrophobicContact CD2-CG1 4.15Å; L241-V244 HydrophobicContact CD2-CG2 3.83Å; L241-V244 HydrophobicContact CG-CB 3.87Å; L241-V244 HydrophobicContact CG-CG2 3.82Å; L241-V244 WeakPolarHBondContact O-CA 3.12Å; L241-V244 PolarHBondContact O-N 2.91Å; L241-H245 PolarHBondContact N-O 3.17Å; L241-H245 PolarHBondContact O-N 2.9Å; L241-T263 HydrophobicContact CB-CG2 4.44Å
242	Y	96.9	Very high	94.2	Very high	127 Å²	127	40.1 Å²	40.1	50%	0.498	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	130.7	-171.2	178.3	-103.4	0	0	0	112.5	Y220 F240 V244	Y220-Y242 HydrophobicContact CD1-CE2 4.34Å; Y220-Y242 WeakPolarHBondContact O-CD2 3.31Å; Y220-Y242 VanDerWaalsContact O-CE2 3.22Å; Y220-Y242 WeakPolarHBondContact O-CE2 3.19Å; F240-Y242 HydrophobicContact CE1-CD2 4.5Å; F240-Y242 HydrophobicContact CZ-CD2 4.24Å; Y242-V244 PolarHBondContact O-N 3.31Å
243	E	96.3	Very high	94.3	Very high	88 Å²	88	43.8 Å²	43.8	41%	0.411	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	7.4	-171.8	-35.8	-147.1	132.4	0	0	115.7	A179 K186 A219 Y220 L241	A179-E243 WeakPolarHBondContact CB-O 3.05Å; K186-E243 IonicContact NZ-OE1 3.45Å; K186-E243 PolarHBondContact NZ-OE1 3.27Å; A219-E243 PolarHBondContact O-N 2.75Å; Y220-E243 HydrophobicContact CD1-CB 3.93Å; Y220-E243 HydrophobicContact CD1-CG 3.6Å; Y220-E243 HydrophobicContact CE1-CB 3.39Å; Y220-E243 VanDerWaalsContact CE1-CD 3.49Å; Y220-E243 HydrophobicContact CE1-CG 3.43Å; Y220-E243 VanDerWaalsContact CE1-CG 3.43Å; Y220-E243 WeakPolarHBondContact CE1-OE1 3.16Å; L241-E243 PolarHBondContact O-N 3.01Å
244	V	96.8	Very high	94.7	Very high	71 Å²	71	46.9 Å²	46.9	43%	0.43	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-63.1	178.5	-170.8	0	0	0	0	111.5	D178 A179 L241 Y242	D178-V244 CarbonylContact C-O 3.51Å; D178-V244 VanDerWaalsContact CA-O 3.26Å; D178-V244 WeakPolarHBondContact CA-O 3.25Å; A179-V244 PolarHBondContact N-O 2.79Å; L241-V244 HydrophobicContact CB-CB 4.18Å; L241-V244 HydrophobicContact CD2-CB 3.89Å; L241-V244 HydrophobicContact CD2-CG1 4.15Å; L241-V244 HydrophobicContact CD2-CG2 3.83Å; L241-V244 HydrophobicContact CG-CB 3.87Å; L241-V244 HydrophobicContact CG-CG2 3.82Å; L241-V244 WeakPolarHBondContact O-CA 3.12Å; L241-V244 PolarHBondContact O-N 2.91Å; Y242-V244 PolarHBondContact O-N 3.31Å
245	H	97	Very high	94.8	Very high	29 Å²	29	45.6 Å²	45.6	13%	0.134	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	153	-175.7	58.7	-112.8	0	0	0	115.6	I176 Y177 E239 F240 L241 I247	I176-H245 HydrophobicContact CG2-CB 4.44Å; Y177-H245 WeakPolarHBondContact O-CA 3.43Å; E239-H245 IonicContact OE1-CD2 3.89Å; E239-H245 IonicContact OE1-CE1 3.51Å; E239-H245 IonicContact OE1-NE2 2.79Å; E239-H245 PolarHBondContact OE1-NE2 2.86Å; F240-H245 WeakPolarHBondContact CA-O 3.32Å; L241-H245 PolarHBondContact N-O 3.17Å; L241-H245 PolarHBondContact O-N 2.9Å; H245-I247 HydrophobicContact CB-CG1 4.45Å
246	C	97.1	Very high	94.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.8	153.1	166.1	0	0	0	0	108.6	Y177 L218 C225 F240	Y177-C246 PolarHBondContact N-O 2.97Å; Y177-C246 PolarHBondContact O-N 2.88Å; L218-C246 HydrophobicContact CB-CB 3.97Å; L218-C246 WeakPolarHBondContact O-CB 3.3Å; C225-C246 WeakPolarHBondContact CA-SG 3.18Å; C225-C246 HydrophobicContact CB-CB 3.7Å; C225-C246 WeakPolarHBondContact CB-SG 3.3Å; C225-C246 WeakPolarHBondContact SG-CB 3.38Å; C225-C246 CovalentContact SG-SG 2.03Å; C225-C246 PolarHBondContact SG-SG 2.88Å; F240-C246 HydrophobicContact CD2-CB 4.4Å
247	I	96.8	Very high	94.8	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.046	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.8	175.4	-58.9	177.7	0	0	0	108.1	K174 H175 I176 I238 E239 H245	K174-I247 HydrophobicContact CB-CG2 3.74Å; K174-I247 HydrophobicContact CD-CG2 4.25Å; K174-I247 HydrophobicContact CG-CG2 4.09Å; H175-I247 CarbonylContact O-C 3.54Å; H175-I247 VanDerWaalsContact O-CA 3.28Å; H175-I247 WeakPolarHBondContact O-CA 3.29Å; I176-I247 HydrophobicContact CB-CG1 4.38Å; I176-I247 HydrophobicContact CD1-CD1 4.46Å; I176-I247 HydrophobicContact CG1-CD1 4.3Å; I176-I247 HydrophobicContact CG1-CG1 4.06Å; I176-I247 HydrophobicContact CG1-CG2 4.37Å; I176-I247 HydrophobicContact CG2-CG1 4.1Å; I238-I247 CarbonylContact C-O 3.58Å; I238-I247 VanDerWaalsContact CA-O 3.23Å; I238-I247 WeakPolarHBondContact CA-O 3.24Å; E239-I247 HydrophobicContact CB-CB 4.15Å; E239-I247 PolarHBondContact N-O 2.81Å; E239-I247 PolarHBondContact O-N 3.37Å; H245-I247 HydrophobicContact CB-CG1 4.45Å
248	L	96.3	Very high	94.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.2	166.7	-55.1	-172.1	0	0	0	108.5	K174 H175 Y177 A228 C229 H232 I238 F250 L292	K174-L248 CarbonylContact C-O 3.5Å; K174-L248 WeakPolarHBondContact CA-O 3.37Å; K174-L248 WeakPolarHBondContact CB-O 3.5Å; H175-L248 PolarHBondContact N-O 2.94Å; H175-L248 PolarHBondContact O-N 2.84Å; Y177-L248 HydrophobicContact CE2-CD1 3.74Å; Y177-L248 HydrophobicContact CE2-CG 3.76Å; A228-L248 HydrophobicContact CB-CD1 4.34Å; A228-L248 HydrophobicContact CB-CD2 4.23Å; C229-L248 HydrophobicContact CB-CD2 3.76Å; H232-L248 HydrophobicContact CB-CD1 4.48Å; I238-L248 HydrophobicContact CG2-CD2 3.86Å; L248-F250 HydrophobicContact CB-CE1 3.94Å; L248-F250 HydrophobicContact CB-CZ 4.11Å; L248-L292 HydrophobicContact CD1-CD1 4.33Å
249	A	95.9	Very high	94.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.8	175.3	0	0	0	0	0	110.8	M166 L169 C235 K236 A237	M166-A249 HydrophobicContact CE-CB 3.54Å; M166-A249 HydrophobicContact SD-CB 3.66Å; L169-A249 HydrophobicContact CD2-CB 3.55Å; C235-A249 WeakPolarHBondContact CA-O 3.46Å; K236-A249 PolarHBondContact N-O 2.79Å; A237-A249 HydrophobicContact CB-CB 4.3Å; A237-A249 PolarHBondContact N-O 2.71Å; A237-A249 PolarHBondContact O-N 2.92Å
250	F	94.3	Very high	94.3	Very high	33 Å²	33	53.5 Å²	53.5	15%	0.145	27%	0.272	C	S	.	.	S	Bend	trans	-95.7	-8.9	-179.3	-47.5	-52.1	0	0	0	112.9	L173 H175 H232 Q234 C235 K236 L248 V294	L173-F250 WeakPolarHBondContact O-CD2 3.45Å; L173-F250 PolarHBondContact O-N 3.37Å; H175-F250 HydrophobicContact CB-CE2 4.16Å; H175-F250 HydrophobicContact CB-CZ 3.86Å; H232-F250 AromaticContact CE1-CD1 3.92Å; H232-F250 AromaticContact CE1-CE1 3.51Å; H232-F250 AromaticContact ND1-CD1 3.75Å; H232-F250 AromaticContact ND1-CE1 3.38Å; H232-F250 WeakPolarHBondContact ND1-CE1 3.25Å; Q234-F250 HydrophobicContact CB-CD1 4.18Å; C235-F250 HydrophobicContact CB-CD1 4.31Å; C235-F250 HydrophobicContact CB-CE1 4.38Å; K236-F250 WeakPolarHBondContact CG-O 3.34Å; L248-F250 HydrophobicContact CB-CE1 3.94Å; L248-F250 HydrophobicContact CB-CZ 4.11Å; F250-V294 HydrophobicContact CD2-CG1 4.41Å; F250-V294 HydrophobicContact CE1-CG1 4.11Å; F250-V294 HydrophobicContact CE1-CG2 4.32Å; F250-V294 HydrophobicContact CE2-CG1 3.59Å; F250-V294 HydrophobicContact CZ-CB 4.23Å; F250-V294 HydrophobicContact CZ-CG1 3.42Å; F250-V294 VanDerWaalsContact CZ-CG1 3.42Å; F250-V294 HydrophobicContact CZ-CG2 3.69Å
251	D	93.6	Very high	94.1	Very high	86 Å²	86	59.5 Å²	59.5	46%	0.46	30%	0.303	S	S	.	.			trans	-137.6	157.4	169.7	-169.5	18.7	0	0	0	109.9	L169 L173	L169-D251 HydrophobicContact CD1-CB 4.38Å; L173-D251 HydrophobicContact CD1-CB 4.13Å
252	F	91.8	Very high	93.9	Very high	42 Å²	42	59.7 Å²	59.7	18%	0.184	32%	0.315	C	S	.	.			trans	-152.8	124.7	177.8	-178.2	-92.2	0	0	0	112.4	L161 M166 A237 K254 L257 I265 L267	L161-F252 HydrophobicContact CD1-CZ 3.96Å; M166-F252 HydrophobicContact CG-CE2 4.49Å; M166-F252 HydrophobicContact SD-CD2 3.71Å; M166-F252 HydrophobicContact SD-CE2 4.17Å; A237-F252 HydrophobicContact CB-CD2 4.13Å; F252-K254 HydrophobicContact CE1-CG 4.31Å; F252-L257 HydrophobicContact CE2-CD2 3.92Å; F252-L257 HydrophobicContact CZ-CD1 4.28Å; F252-L257 HydrophobicContact CZ-CD2 4.15Å; F252-L257 HydrophobicContact CZ-CG 4.5Å; F252-I265 HydrophobicContact CE2-CG2 4.08Å; F252-L267 HydrophobicContact CD1-CD1 4.01Å; F252-L267 HydrophobicContact CD1-CD2 3.82Å; F252-L267 HydrophobicContact CD2-CD2 3.64Å; F252-L267 HydrophobicContact CE1-CD1 3.67Å; F252-L267 HydrophobicContact CE1-CD2 3.74Å; F252-L267 HydrophobicContact CE1-CG 4.38Å; F252-L267 HydrophobicContact CE2-CD2 3.55Å; F252-L267 HydrophobicContact CG-CD2 3.78Å; F252-L267 HydrophobicContact CZ-CD1 4.15Å; F252-L267 HydrophobicContact CZ-CD2 3.61Å; F252-L267 HydrophobicContact CZ-CG 4.49Å
253	D	89.6	Confident	93.9	Very high	86 Å²	86	53.7 Å²	53.7	46%	0.46	29%	0.292	S	S	.	.			trans	-132.2	161.6	165.1	-176.9	-146	0	0	0	109.9	S255 I256	D253-S255 VanDerWaalsContact C-N 3.3Å; D253-S255 WeakPolarHBondContact OD1-CB 3.2Å; D253-S255 PolarHBondContact OD1-N 3.16Å; D253-S255 PolarHBondContact OD1-OG 3.19Å; D253-I256 WeakPolarHBondContact O-CG1 3.03Å
254	K	89.6	Confident	93.9	Very high	138 Å²	138	51.5 Å²	51.5	60%	0.6	28%	0.283	S	S	*	.	S	Bend	trans	-75.9	-17.7	173.8	-63.6	-175.6	-179.8	-176.8	0	112.9	F252 I256 L257	F252-K254 HydrophobicContact CE1-CG 4.31Å; K254-I256 VanDerWaalsContact C-N 3.34Å; K254-L257 HydrophobicContact CB-CD1 4.22Å; K254-L257 HydrophobicContact CG-CD1 4.34Å
255	S	90.7	Very high	93.9	Very high	91 Å²	91	48.1 Å²	48.1	64%	0.636	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.9	179.3	67.3	0	0	0	0	114.4	D253 L257	D253-S255 VanDerWaalsContact C-N 3.3Å; D253-S255 WeakPolarHBondContact OD1-CB 3.2Å; D253-S255 PolarHBondContact OD1-N 3.16Å; D253-S255 PolarHBondContact OD1-OG 3.19Å; S255-L257 VanDerWaalsContact C-N 3.33Å
256	I	91.1	Very high	93.8	Very high	25 Å²	25	47.3 Å²	47.3	13%	0.128	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.4	179.7	53.1	157.3	0	0	0	114	M166 N168 L169 D253 K254	M166-I256 HydrophobicContact CB-CD1 4.16Å; M166-I256 HydrophobicContact CG-CD1 4.04Å; M166-I256 HydrophobicContact SD-CD1 4.31Å; N168-I256 HydrophobicContact CB-CB 4.08Å; N168-I256 HydrophobicContact CB-CG2 4.1Å; L169-I256 HydrophobicContact CB-CD1 3.83Å; L169-I256 HydrophobicContact CD1-CD1 4.1Å; L169-I256 HydrophobicContact CD2-CD1 4.44Å; L169-I256 HydrophobicContact CG-CD1 4.34Å; D253-I256 WeakPolarHBondContact O-CG1 3.03Å; K254-I256 VanDerWaalsContact C-N 3.34Å
257	L	93.2	Very high	93.7	Very high	32 Å²	32	48.9 Å²	48.9	17%	0.168	27%	0.266	C	S	.	.			trans	-74.5	132.8	-173.7	-65.6	177.9	0	0	0	112.4	L161 W164 N165 M166 F252 K254 S255 I265	L161-L257 HydrophobicContact CD1-CD1 4.08Å; W164-L257 HydrophobicContact CB-CD2 4.46Å; W164-L257 HydrophobicContact CE3-CB 3.84Å; W164-L257 HydrophobicContact CZ3-CB 4.3Å; N165-L257 WeakPolarHBondContact O-CA 3.38Å; M166-L257 HydrophobicContact CG-CD2 4.43Å; F252-L257 HydrophobicContact CE2-CD2 3.92Å; F252-L257 HydrophobicContact CZ-CD1 4.28Å; F252-L257 HydrophobicContact CZ-CD2 4.15Å; F252-L257 HydrophobicContact CZ-CG 4.5Å; K254-L257 HydrophobicContact CB-CD1 4.22Å; K254-L257 HydrophobicContact CG-CD1 4.34Å; S255-L257 VanDerWaalsContact C-N 3.33Å; L257-I265 HydrophobicContact CD2-CD1 3.46Å; L257-I265 VanDerWaalsContact CD2-CD1 3.46Å
258	S	93.3	Very high	93.4	Very high	35 Å²	35	49.3 Å²	49.3	25%	0.245	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	157.5	172.6	-177.6	0	0	0	0	110.2	W164 N165 E167	W164-S258 VanDerWaalsContact CA-O 3.32Å; W164-S258 WeakPolarHBondContact CA-O 3.47Å; N165-S258 PolarHBondContact N-O 3Å; N165-S258 PolarHBondContact O-N 2.96Å; N165-S258 VanDerWaalsContact OD1-C 3.26Å; N165-S258 VanDerWaalsContact OD1-CB 3.27Å; N165-S258 WeakPolarHBondContact OD1-CB 3.43Å; N165-S258 PolarHBondContact OD1-O 3.08Å; E167-S258 WeakPolarHBondContact OE2-CB 2.93Å; E167-S258 PolarHBondContact OE2-OG 3.46Å
259	Q	93	Very high	93	Very high	148 Å²	148	50.1 Å²	50.1	69%	0.692	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	119.1	-172.6	-170.9	179.6	9.3	0	0	110.5
260	S	93	Very high	92.4	Very high	28 Å²	28	56.9 Å²	56.9	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	99.9	-172	-173.4	0	0	0	0	110.6	H163 N165 G262 T263	H163-S260 CarbonylContact C-O 3.55Å; H163-S260 WeakPolarHBondContact CA-O 3.38Å; H163-S260 PolarHBondContact O-N 3.26Å; N165-S260 VanDerWaalsContact CG-CB 3.45Å; S260-G262 PolarHBondContact O-N 3.44Å; S260-T263 WeakPolarHBondContact O-CB 3.37Å; S260-T263 PolarHBondContact O-N 3.17Å; S260-T263 PolarHBondContact OG-OG1 2.92Å
261	I	92.7	Very high	91.6	Very high	140 Å²	140	60.8 Å²	60.8	72%	0.718	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.4	-171.9	-63	176.5	0	0	0	110.7	T263	I261-T263 VanDerWaalsContact C-N 3.32Å
262	G	93.2	Very high	90.7	Very high	46 Å²	46	57 Å²	57	47%	0.474	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93	-22	-177.6	0	0	0	0	0	113.9	S260	S260-G262 PolarHBondContact O-N 3.44Å
263	T	96.2	Very high	89.5	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.6	178.1	-48.4	0	0	0	0	111.2	H163 W164 N165 E239 L241 S260 I261	H163-T263 WeakPolarHBondContact CA-O 3.32Å; H163-T263 PolarHBondContact N-O 3.15Å; W164-T263 WeakPolarHBondContact O-CB 3.49Å; W164-T263 VanDerWaalsContact O-CG2 3.27Å; W164-T263 WeakPolarHBondContact O-CG2 2.94Å; N165-T263 HydrophobicContact CB-CG2 4.15Å; E239-T263 HydrophobicContact CG-CG2 3.37Å; L241-T263 HydrophobicContact CB-CG2 4.44Å; S260-T263 WeakPolarHBondContact O-CB 3.37Å; S260-T263 PolarHBondContact O-N 3.17Å; S260-T263 PolarHBondContact OG-OG1 2.92Å; I261-T263 VanDerWaalsContact C-N 3.32Å
264	I	96.5	Very high	88.2	Confident	42 Å²	42	55.7 Å²	55.7	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	178	-57.5	179.1	0	0	0	108.5	V160 I222 E239 F240 E266	V160-I264 HydrophobicContact CG1-CG2 3.58Å; I222-I264 HydrophobicContact CD1-CG2 4.3Å; E239-I264 CarbonylContact C-O 3.52Å; E239-I264 WeakPolarHBondContact CA-O 3.21Å; F240-I264 PolarHBondContact N-O 2.78Å; F240-I264 PolarHBondContact O-N 3.2Å; I264-E266 HydrophobicContact CG2-CG 3.99Å
265	I	96.8	Very high	86.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.9	163.9	-68.2	165.6	0	0	0	108.6	V160 L161 W164 M166 A237 I238 E239 F252 L257 L267	V160-I265 CarbonylContact C-O 3.54Å; V160-I265 WeakPolarHBondContact CA-O 2.93Å; L161-I265 HydrophobicContact CB-CB 4.08Å; L161-I265 HydrophobicContact CD1-CG2 4.47Å; L161-I265 PolarHBondContact N-O 3.42Å; L161-I265 PolarHBondContact O-N 2.6Å; W164-I265 HydrophobicContact CB-CD1 3.96Å; M166-I265 HydrophobicContact CE-CG1 4.33Å; M166-I265 HydrophobicContact CE-CG2 4.46Å; M166-I265 HydrophobicContact CG-CD1 3.69Å; M166-I265 HydrophobicContact CG-CG1 4.36Å; A237-I265 HydrophobicContact CB-CG2 4.47Å; I238-I265 CarbonylContact O-C 3.59Å; I238-I265 VanDerWaalsContact O-CA 3.23Å; I238-I265 WeakPolarHBondContact O-CA 3.32Å; E239-I265 HydrophobicContact CB-CG1 4.07Å; E239-I265 HydrophobicContact CG-CG1 4.1Å; F252-I265 HydrophobicContact CE2-CG2 4.08Å; L257-I265 HydrophobicContact CD2-CD1 3.46Å; L257-I265 VanDerWaalsContact CD2-CD1 3.46Å; I265-L267 HydrophobicContact CG2-CD2 3.74Å
266	E	95.4	Very high	85.1	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.056	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.1	169.3	-54	-172	152.3	0	0	110.4	W158 Y159 V160 I222 R226 A237 I238 I264	W158-E266 HydrophobicContact CB-CB 4.27Å; W158-E266 HydrophobicContact CE3-CB 3.97Å; Y159-E266 WeakPolarHBondContact O-CA 3.23Å; V160-E266 HydrophobicContact CG1-CG 4.36Å; V160-E266 HydrophobicContact CG2-CG 4.22Å; I222-E266 HydrophobicContact CD1-CG 4.3Å; I222-E266 WeakPolarHBondContact CD1-OE1 3.41Å; R226-E266 IonicContact CZ-OE1 2.64Å; R226-E266 IonicContact CZ-OE2 3.88Å; R226-E266 VanDerWaalsContact CZ-OE2 3.23Å; R226-E266 IonicContact NE-OE1 2.67Å; R226-E266 IonicContact NE-OE2 3.55Å; R226-E266 PolarHBondContact NE-OE2 3.22Å; R226-E266 VanDerWaalsContact NH2-CD 3.29Å; R226-E266 IonicContact NH2-OE1 2.66Å; R226-E266 PolarHBondContact NH2-OE1 3.03Å; R226-E266 IonicContact NH2-OE2 3.97Å; R226-E266 PolarHBondContact NH2-OE2 3.36Å; A237-E266 CarbonylContact C-O 3.34Å; A237-E266 VanDerWaalsContact CA-O 3.26Å; A237-E266 WeakPolarHBondContact CA-O 3.4Å; I238-E266 HydrophobicContact CD1-CB 4.22Å; I238-E266 HydrophobicContact CD1-CG 4.29Å; I238-E266 HydrophobicContact CG1-CB 3.78Å; I238-E266 HydrophobicContact CG1-CG 4.27Å; I238-E266 PolarHBondContact N-O 3.49Å; I238-E266 PolarHBondContact O-N 3.3Å; I264-E266 HydrophobicContact CG2-CG 3.99Å
267	L	93.8	Very high	83.1	Confident	32 Å²	32	63 Å²	63	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.8	178	-45.8	-174.5	0	0	0	110.6	W158 Y159 A237 F252 I265	W158-L267 VanDerWaalsContact CA-O 3.32Å; W158-L267 WeakPolarHBondContact CA-O 3.5Å; W158-L267 WeakPolarHBondContact CB-O 3.27Å; Y159-L267 HydrophobicContact CD1-CD1 3.69Å; Y159-L267 HydrophobicContact CD1-CG 4.06Å; Y159-L267 HydrophobicContact CG-CD1 4.46Å; Y159-L267 PolarHBondContact N-O 2.97Å; Y159-L267 PolarHBondContact O-N 3.18Å; A237-L267 HydrophobicContact CB-CD2 3.6Å; F252-L267 HydrophobicContact CD1-CD1 4.01Å; F252-L267 HydrophobicContact CD1-CD2 3.82Å; F252-L267 HydrophobicContact CD2-CD2 3.64Å; F252-L267 HydrophobicContact CE1-CD1 3.67Å; F252-L267 HydrophobicContact CE1-CD2 3.74Å; F252-L267 HydrophobicContact CE1-CG 4.38Å; F252-L267 HydrophobicContact CE2-CD2 3.55Å; F252-L267 HydrophobicContact CG-CD2 3.78Å; F252-L267 HydrophobicContact CZ-CD1 4.15Å; F252-L267 HydrophobicContact CZ-CD2 3.61Å; F252-L267 HydrophobicContact CZ-CG 4.49Å; I265-L267 HydrophobicContact CG2-CD2 3.74Å
268	K	90.9	Very high	81	Confident	18 Å²	18	65.6 Å²	65.6	8%	0.078	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.6	130	171.5	-170.7	-179.8	-171.8	167.4	0	108.3	W158 C229 A230 H232 C235 K236 N270 C272	W158-K268 HydrophobicContact CE3-CB 4.21Å; W158-K268 HydrophobicContact CH2-CB 3.7Å; W158-K268 HydrophobicContact CH2-CD 4.3Å; W158-K268 HydrophobicContact CH2-CG 3.74Å; W158-K268 HydrophobicContact CZ2-CB 4.13Å; W158-K268 HydrophobicContact CZ2-CG 3.82Å; W158-K268 HydrophobicContact CZ3-CB 3.75Å; W158-K268 HydrophobicContact CZ3-CG 4.32Å; C229-K268 PolarHBondContact O-NZ 2.81Å; A230-K268 PolarHBondContact O-NZ 3.33Å; H232-K268 PolarHBondContact O-NZ 2.72Å; C235-K268 WeakPolarHBondContact O-CD 3.46Å; K236-K268 VanDerWaalsContact O-CB 3.31Å; K236-K268 WeakPolarHBondContact O-CB 3.19Å; K236-K268 PolarHBondContact O-N 2.94Å; K268-N270 PolarHBondContact O-N 2.78Å; K268-C272 WeakPolarHBondContact CE-O 3.33Å; K268-C272 HydrophobicContact CG-CB 4.04Å
269	P	87.9	Confident	78.6	Confident	17 Å²	17	72 Å²	72	11%	0.11	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-54.1	136.7	175.8	-27.1	35.1	0	0	0	111.3	L28 E271 C272	L28-P269 HydrophobicContact CD2-CB 4.22Å; P269-E271 WeakPolarHBondContact CB-OE2 3.35Å; P269-E271 PolarHBondContact O-N 3.3Å; P269-E271 VanDerWaalsContact O-N 3.16Å; P269-C272 HydrophobicContact CB-CB 4.43Å; P269-C272 VanDerWaalsContact O-CB 3.3Å; P269-C272 WeakPolarHBondContact O-CB 3.17Å; P269-C272 PolarHBondContact O-N 2.84Å
270	N	83.1	Confident	76.3	Confident	143 Å²	143	71 Å²	71	77%	0.765	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.1	-179.7	-75.8	-48.6	0	0	0	112.2	K268 C272	K268-N270 PolarHBondContact O-N 2.78Å; N270-C272 VanDerWaalsContact C-N 3.3Å
271	E	79.2	Confident	74	Confident	114 Å²	114	75.3 Å²	75.3	53%	0.533	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-15.7	175.8	-53.4	83.3	175.3	0	0	112.4	L28 P269 D273	L28-E271 CarbonylContact C-O 3.21Å; L28-E271 VanDerWaalsContact C-O 3.32Å; L28-E271 HydrophobicContact CB-CB 3.59Å; L28-E271 HydrophobicContact CD1-CB 3.74Å; L28-E271 HydrophobicContact CD1-CG 4.06Å; L28-E271 HydrophobicContact CD2-CB 4.23Å; L28-E271 HydrophobicContact CG-CB 4.04Å; P269-E271 WeakPolarHBondContact CB-OE2 3.35Å; P269-E271 PolarHBondContact O-N 3.3Å; P269-E271 VanDerWaalsContact O-N 3.16Å; E271-D273 PolarHBondContact O-N 3.31Å
272	C	73.7	Confident	72.2	Confident	7 Å²	7	72.6 Å²	72.6	5%	0.047	37%	0.369	C	S	.	.			trans	-77.9	49.3	169.7	-75.7	0	0	0	0	112.7	L28 C31 K268 P269 N270	L28-C272 VanDerWaalsContact O-CA 3.31Å; L28-C272 WeakPolarHBondContact O-CA 3.37Å; C31-C272 VanDerWaalsContact CA-SG 3.53Å; C31-C272 HydrophobicContact CB-CB 3.59Å; C31-C272 WeakPolarHBondContact CB-SG 3.38Å; C31-C272 WeakPolarHBondContact SG-CB 3.39Å; C31-C272 CovalentContact SG-SG 2.05Å; C31-C272 PolarHBondContact SG-SG 3.02Å; K268-C272 WeakPolarHBondContact CE-O 3.33Å; K268-C272 HydrophobicContact CG-CB 4.04Å; P269-C272 HydrophobicContact CB-CB 4.43Å; P269-C272 VanDerWaalsContact O-CB 3.3Å; P269-C272 WeakPolarHBondContact O-CB 3.17Å; P269-C272 PolarHBondContact O-N 2.84Å; N270-C272 VanDerWaalsContact C-N 3.3Å
273	D	65.8	Low	70.7	Confident	72 Å²	72	71.2 Å²	71.2	39%	0.385	35%	0.349	S	S	.	.			trans	-99.2	100.4	178.9	-172.3	22.3	0	0	0	110.5	E271 K275	E271-D273 PolarHBondContact O-N 3.31Å; D273-K275 VanDerWaalsContact C-N 3.3Å; D273-K275 PolarHBondContact O-N 3.39Å; D273-K275 WeakPolarHBondContact OD2-CE 3.23Å; D273-K275 IonicContact OD2-NZ 3.63Å; D273-K275 PolarHBondContact OD2-NZ 3.4Å
274	F	63.1	Low	68.9	Low	28 Å²	28	71.5 Å²	71.5	12%	0.123	35%	0.351	C	S	.	.			trans	-70.2	79.8	-179.1	-83.6	-81.3	0	0	0	111.8	T30 C31 A230 L233 I276 Y283 Y285	T30-F274 VanDerWaalsContact O-CE1 3.25Å; T30-F274 WeakPolarHBondContact O-CE1 3.38Å; T30-F274 WeakPolarHBondContact O-CZ 3.42Å; C31-F274 HydrophobicContact CB-CE2 4.1Å; C31-F274 HydrophobicContact CB-CZ 4.36Å; A230-F274 VanDerWaalsContact O-CE2 3.24Å; A230-F274 WeakPolarHBondContact O-CE2 3.46Å; L233-F274 HydrophobicContact CD2-CB 3.44Å; L233-F274 VanDerWaalsContact CD2-CB 3.44Å; L233-F274 HydrophobicContact CD2-CD2 4.46Å; L233-F274 HydrophobicContact CD2-CG 4.19Å; F274-I276 PolarHBondContact O-N 3.17Å; F274-I276 VanDerWaalsContact O-N 3.14Å; F274-Y283 HydrophobicContact CB-CE2 3.97Å; F274-Y283 AromaticContact CD1-CE2 3.62Å; F274-Y283 HydrophobicContact CD1-CE2 3.62Å; F274-Y283 HydrophobicContact CD2-CE2 4.5Å; F274-Y283 HydrophobicContact CE1-CE2 4.12Å; F274-Y283 AromaticContact CG-CE2 3.82Å; F274-Y283 HydrophobicContact CG-CE2 3.82Å; F274-Y285 HydrophobicContact CE1-CE2 4.12Å; F274-Y285 HydrophobicContact CZ-CE2 4.03Å
275	K	57.8	Low	67.6	Low	143 Å²	143	70 Å²	70	62%	0.622	34%	0.343	S	S	*	.			trans	-72.5	107.3	175.7	-64.5	-176.2	-175.1	-177.3	0	110.4	D273 K277	D273-K275 VanDerWaalsContact C-N 3.3Å; D273-K275 PolarHBondContact O-N 3.39Å; D273-K275 WeakPolarHBondContact OD2-CE 3.23Å; D273-K275 IonicContact OD2-NZ 3.63Å; D273-K275 PolarHBondContact OD2-NZ 3.4Å; K275-K277 WeakPolarHBondContact O-CG 3.36Å; K275-K277 PolarHBondContact O-N 2.76Å; K275-K277 VanDerWaalsContact O-N 3.16Å
276	I	56.6	Low	66.2	Low	87 Å²	87	72.2 Å²	72.2	45%	0.446	36%	0.358	S	S	.	.			trans	-59.3	111.4	161.1	-61.8	177.8	0	0	0	106.4	L233 F274 D278 Y281	L233-I276 HydrophobicContact CD1-CD1 4.49Å; F274-I276 PolarHBondContact O-N 3.17Å; F274-I276 VanDerWaalsContact O-N 3.14Å; I276-D278 WeakPolarHBondContact CG2-O 3.32Å; I276-Y281 HydrophobicContact CG1-CD1 4.46Å; I276-Y281 HydrophobicContact CG2-CD1 4.29Å
277	K	49	Very low	64.9	Low	177 Å²	177	75.1 Å²	75.1	77%	0.77	37%	0.374	S	S	*	.			trans	-88.5	-9.1	-169.6	-71.7	-178.1	-177.8	170.6	0	114.5	K275	K275-K277 WeakPolarHBondContact O-CG 3.36Å; K275-K277 PolarHBondContact O-N 2.76Å; K275-K277 VanDerWaalsContact O-N 3.16Å
278	D	50.1	Low	64.1	Low	87 Å²	87	73.6 Å²	73.6	47%	0.465	37%	0.366	S	S	.	.	S	Bend	trans	-157.3	143	-172	-168	-46.9	0	0	0	107.7	I276 N280 Y281	I276-D278 WeakPolarHBondContact CG2-O 3.32Å; D278-N280 PolarHBondContact O-N 3.13Å; D278-N280 VanDerWaalsContact O-N 3.14Å; D278-N280 WeakPolarHBondContact OD1-CB 3.37Å; D278-N280 PolarHBondContact OD1-N 3.38Å; D278-N280 PolarHBondContact OD1-ND2 2.01Å; D278-Y281 VanDerWaalsContact O-CB 3.32Å; D278-Y281 WeakPolarHBondContact O-CB 3.21Å; D278-Y281 PolarHBondContact O-N 3.37Å
279	D	43.8	Very low	63.5	Low	171 Å²	171	74.3 Å²	74.3	91%	0.914	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.4	174.9	-65.7	-38.1	0	0	0	112.3
280	N	43.5	Very low	63.2	Low	126 Å²	126	77.1 Å²	77.1	67%	0.674	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-6.4	175.7	-59.5	-85.9	0	0	0	113.5	D278 I282	D278-N280 PolarHBondContact O-N 3.13Å; D278-N280 VanDerWaalsContact O-N 3.14Å; D278-N280 WeakPolarHBondContact OD1-CB 3.37Å; D278-N280 PolarHBondContact OD1-N 3.38Å; D278-N280 PolarHBondContact OD1-ND2 2.01Å; N280-I282 PolarHBondContact O-N 2.6Å; N280-I282 VanDerWaalsContact O-N 3.13Å
281	Y	45.5	Very low	63.2	Low	118 Å²	118	71.9 Å²	71.9	46%	0.463	36%	0.364	S	S	.	.			trans	-81.8	93.1	-176.8	-173.4	-93.5	0	0	0	111.7	I276 D278 Y283	I276-Y281 HydrophobicContact CG1-CD1 4.46Å; I276-Y281 HydrophobicContact CG2-CD1 4.29Å; D278-Y281 VanDerWaalsContact O-CB 3.32Å; D278-Y281 WeakPolarHBondContact O-CB 3.21Å; D278-Y281 PolarHBondContact O-N 3.37Å; Y281-Y283 PolarHBondContact O-N 3.06Å; Y281-Y283 VanDerWaalsContact O-N 3.14Å
282	I	53.6	Low	63.5	Low	83 Å²	83	66.5 Å²	66.5	43%	0.426	34%	0.338	S	S	.	.			trans	-60.4	114	171.7	-58.6	176.5	0	0	0	109.1	N280	N280-I282 PolarHBondContact O-N 2.6Å; N280-I282 VanDerWaalsContact O-N 3.13Å
283	Y	63	Low	63.2	Low	18 Å²	18	73 Å²	73	7%	0.071	37%	0.368	C	S	.	.			trans	-59.8	122.9	177.2	-174.3	-115.9	0	0	0	110.4	I231 L233 F274 Y281 Y285 S286 V289	I231-Y283 WeakPolarHBondContact O-CE1 3.07Å; I231-Y283 PolarHBondContact O-OH 3.03Å; L233-Y283 HydrophobicContact CD2-CD2 4.16Å; L233-Y283 HydrophobicContact CD2-CE1 4.08Å; L233-Y283 HydrophobicContact CD2-CE2 3.63Å; L233-Y283 HydrophobicContact CG-CE1 4.29Å; F274-Y283 HydrophobicContact CB-CE2 3.97Å; F274-Y283 AromaticContact CD1-CE2 3.62Å; F274-Y283 HydrophobicContact CD1-CE2 3.62Å; F274-Y283 HydrophobicContact CD2-CE2 4.5Å; F274-Y283 HydrophobicContact CE1-CE2 4.12Å; F274-Y283 AromaticContact CG-CE2 3.82Å; F274-Y283 HydrophobicContact CG-CE2 3.82Å; Y281-Y283 PolarHBondContact O-N 3.06Å; Y281-Y283 VanDerWaalsContact O-N 3.14Å; Y283-Y285 HydrophobicContact CE1-CD2 4.03Å; Y283-Y285 HydrophobicContact CE1-CG 4.36Å; Y283-Y285 HydrophobicContact CE2-CD2 4.4Å; Y283-Y285 AromaticContact CZ-CD2 3.74Å; Y283-Y285 PolarHBondContact O-N 3.41Å; Y283-S286 VanDerWaalsContact O-CB 3.28Å; Y283-S286 WeakPolarHBondContact O-CB 3.04Å; Y283-S286 PolarHBondContact O-N 2.04Å; Y283-S286 VanDerWaalsContact O-N 3.1Å; Y283-S286 PolarHBondContact O-OG 3.25Å; Y283-V289 HydrophobicContact CE1-CG2 4.2Å
284	P	57.3	Low	62.8	Low	7 Å²	7	74.6 Å²	74.6	5%	0.045	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17	-168	24.9	-36.9	0	0	0	114.5	I90 Y204	I90-P284 HydrophobicContact CD1-CB 3.43Å; I90-P284 VanDerWaalsContact CD1-CB 3.43Å; Y204-P284 WeakPolarHBondContact CE1-O 3.5Å
285	Y	69	Low	62.8	Low	11 Å²	11	77 Å²	77	4%	0.043	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	14.2	-179	-40.7	-49.5	0	0	0	112.4	I152 F203 Y212 I231 F274 Y283 N287 S288 V289	I152-Y285 HydrophobicContact CD1-CE1 3.7Å; I152-Y285 HydrophobicContact CD1-CE2 4.26Å; I152-Y285 VanDerWaalsContact CD1-CZ 3.5Å; I152-Y285 VanDerWaalsContact CD1-OH 3.3Å; I152-Y285 WeakPolarHBondContact CD1-OH 3.08Å; I152-Y285 HydrophobicContact CG1-CE2 4.5Å; I152-Y285 HydrophobicContact CG2-CE2 4.15Å; F203-Y285 AromaticContact CD1-CD1 3.72Å; F203-Y285 HydrophobicContact CD1-CD1 3.72Å; F203-Y285 HydrophobicContact CD1-CG 4.37Å; F203-Y285 HydrophobicContact CE1-CD1 4.17Å; Y212-Y285 WeakPolarHBondContact OH-CD1 3.45Å; Y212-Y285 VanDerWaalsContact OH-CE1 3.29Å; Y212-Y285 WeakPolarHBondContact OH-CE1 3.46Å; I231-Y285 HydrophobicContact CB-CD2 3.94Å; I231-Y285 HydrophobicContact CB-CG 4.15Å; I231-Y285 HydrophobicContact CG2-CD2 3.44Å; I231-Y285 VanDerWaalsContact CG2-CD2 3.44Å; I231-Y285 HydrophobicContact CG2-CE2 4.12Å; I231-Y285 HydrophobicContact CG2-CG 3.68Å; F274-Y285 HydrophobicContact CE1-CE2 4.12Å; F274-Y285 HydrophobicContact CZ-CE2 4.03Å; Y283-Y285 HydrophobicContact CE1-CD2 4.03Å; Y283-Y285 HydrophobicContact CE1-CG 4.36Å; Y283-Y285 HydrophobicContact CE2-CD2 4.4Å; Y283-Y285 AromaticContact CZ-CD2 3.74Å; Y283-Y285 PolarHBondContact O-N 3.41Å; Y285-N287 PolarHBondContact O-N 3.19Å; Y285-S288 CarbonylContact O-C 3.54Å; Y285-S288 WeakPolarHBondContact O-CA 3.41Å; Y285-S288 PolarHBondContact O-N 2.6Å; Y285-V289 PolarHBondContact O-N 3.39Å
286	S	68.2	Low	63.1	Low	45 Å²	45	73.5 Å²	73.5	32%	0.315	38%	0.381	S	S	.	.	H	α-helix	trans	-53.6	-50.8	-176.8	48.4	0	0	0	0	113.6	Y283 S288 V289 S290	Y283-S286 VanDerWaalsContact O-CB 3.28Å; Y283-S286 WeakPolarHBondContact O-CB 3.04Å; Y283-S286 PolarHBondContact O-N 2.04Å; Y283-S286 VanDerWaalsContact O-N 3.1Å; Y283-S286 PolarHBondContact O-OG 3.25Å; S286-S288 PolarHBondContact O-N 2.82Å; S286-S288 VanDerWaalsContact O-N 3.11Å; S286-V289 PolarHBondContact O-N 2.81Å; S286-S290 PolarHBondContact O-N 2.89Å
287	N	68.5	Low	63.5	Low	73 Å²	73	72.7 Å²	72.7	39%	0.39	38%	0.377	S	S	.	.	H	α-helix	trans	-69.1	-5.5	177.4	-67.3	-10.3	0	0	0	114	Y204 Y285 S290 I291	Y204-N287 PolarHBondContact O-ND2 2.89Å; Y285-N287 PolarHBondContact O-N 3.19Å; N287-S290 PolarHBondContact O-OG 3.33Å; N287-S290 VanDerWaalsContact O-OG 3.12Å; N287-I291 WeakPolarHBondContact O-CD1 3.09Å; N287-I291 WeakPolarHBondContact O-CG1 3.33Å
288	S	75.5	Confident	64.3	Low	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-108.7	-26.9	176.1	-59.2	0	0	0	0	112.6	F203 Y212 Y285 S286 S290 I291	F203-S288 WeakPolarHBondContact CA-OG 3.41Å; F203-S288 WeakPolarHBondContact CD1-OG 3.39Å; F203-S288 WeakPolarHBondContact CE1-OG 3.37Å; Y212-S288 WeakPolarHBondContact CE2-OG 3.42Å; Y285-S288 CarbonylContact O-C 3.54Å; Y285-S288 WeakPolarHBondContact O-CA 3.41Å; Y285-S288 PolarHBondContact O-N 2.6Å; S286-S288 PolarHBondContact O-N 2.82Å; S286-S288 VanDerWaalsContact O-N 3.11Å; S288-S290 VanDerWaalsContact C-N 3.31Å; S288-I291 WeakPolarHBondContact O-CB 3.34Å; S288-I291 PolarHBondContact O-N 3.22Å
289	V	79.9	Confident	65.2	Low	34 Å²	34	65.3 Å²	65.3	21%	0.206	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-36.1	163.3	168.4	0	0	0	0	110.7	I231 Y283 Y285 S286 I291 L292	I231-V289 HydrophobicContact CB-CG2 4.42Å; I231-V289 HydrophobicContact CD1-CG2 4.21Å; I231-V289 HydrophobicContact CG1-CG2 4.29Å; I231-V289 WeakPolarHBondContact O-CG2 3.34Å; Y283-V289 HydrophobicContact CE1-CG2 4.2Å; Y285-V289 PolarHBondContact O-N 3.39Å; S286-V289 PolarHBondContact O-N 2.81Å; V289-I291 PolarHBondContact O-N 3.38Å; V289-L292 WeakPolarHBondContact O-CB 3.32Å; V289-L292 PolarHBondContact O-N 3.33Å
290	S	81.6	Confident	66.6	Low	75 Å²	75	58.3 Å²	58.3	52%	0.524	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-65	-21.4	174.7	62.3	0	0	0	0	114.2	S286 N287 S288 H293	S286-S290 PolarHBondContact O-N 2.89Å; N287-S290 PolarHBondContact O-OG 3.33Å; N287-S290 VanDerWaalsContact O-OG 3.12Å; S288-S290 VanDerWaalsContact C-N 3.31Å; S290-H293 PolarHBondContact O-ND1 3.49Å
291	I	82.9	Confident	68.3	Low	34 Å²	34	53.4 Å²	53.4	17%	0.174	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-78.5	-24.1	174	-59.5	170.1	0	0	0	111.1	L183 H201 N287 S288 V289 H293	L183-I291 HydrophobicContact CD1-CG2 4.28Å; L183-I291 HydrophobicContact CD2-CG2 3.99Å; H201-I291 HydrophobicContact CB-CD1 3.93Å; N287-I291 WeakPolarHBondContact O-CD1 3.09Å; N287-I291 WeakPolarHBondContact O-CG1 3.33Å; S288-I291 WeakPolarHBondContact O-CB 3.34Å; S288-I291 PolarHBondContact O-N 3.22Å; V289-I291 PolarHBondContact O-N 3.38Å; I291-H293 PolarHBondContact O-CD2 3.39Å; I291-H293 PolarHBondContact O-N 2.88Å
292	L	84	Confident	70	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-71.7	-9.9	177.7	-67.2	177.6	0	0	0	113.3	Y177 L183 L215 A228 I231 H232 L248 V289 V294	Y177-L292 HydrophobicContact CE2-CD2 4.2Å; Y177-L292 WeakPolarHBondContact OH-CA 3.35Å; Y177-L292 VanDerWaalsContact OH-CB 3.31Å; Y177-L292 WeakPolarHBondContact OH-CB 3.34Å; Y177-L292 PolarHBondContact OH-O 2.96Å; L183-L292 HydrophobicContact CD1-CD2 4.12Å; L215-L292 HydrophobicContact CD2-CD2 3.94Å; A228-L292 HydrophobicContact CB-CD1 4.3Å; A228-L292 HydrophobicContact CB-CD2 3.89Å; I231-L292 HydrophobicContact CD1-CD1 4.16Å; I231-L292 HydrophobicContact CG1-CD1 4.17Å; H232-L292 HydrophobicContact CB-CD1 4.24Å; L248-L292 HydrophobicContact CD1-CD1 4.33Å; V289-L292 WeakPolarHBondContact O-CB 3.32Å; V289-L292 PolarHBondContact O-N 3.33Å; L292-V294 VanDerWaalsContact C-N 3.29Å; L292-V294 HydrophobicContact CB-CG2 4.33Å; L292-V294 PolarHBondContact O-N 3.03Å
293	H	69	Low	71.4	Confident	145 Å²	145	45.6 Å²	45.6	67%	0.671	26%	0.256	S	S	*	.			trans	52.4	41	172.5	-63.5	-43.9	0	0	0	114.9	H175 S290 I291	H175-H293 PolarHBondContact CE1-O 3.41Å; H175-H293 PolarHBondContact ND1-O 3.11Å; H175-H293 VanDerWaalsContact ND1-O 3.13Å; S290-H293 PolarHBondContact O-ND1 3.49Å; I291-H293 PolarHBondContact O-CD2 3.39Å; I291-H293 PolarHBondContact O-N 2.88Å
294	V	57.7	Low	72.1	Confident	105 Å²	105	48.1 Å²	48.1	64%	0.636	27%	0.273	S	S	*	.			trans	-90.8	0	170.5	-171.8	0	0	0	0	109.9	H175 H232 F250 L292	H175-V294 HydrophobicContact CB-CG2 4.16Å; H232-V294 WeakPolarHBondContact NE2-CB 3.2Å; F250-V294 HydrophobicContact CD2-CG1 4.41Å; F250-V294 HydrophobicContact CE1-CG1 4.11Å; F250-V294 HydrophobicContact CE1-CG2 4.32Å; F250-V294 HydrophobicContact CE2-CG1 3.59Å; F250-V294 HydrophobicContact CZ-CB 4.23Å; F250-V294 HydrophobicContact CZ-CG1 3.42Å; F250-V294 VanDerWaalsContact CZ-CG1 3.42Å; F250-V294 HydrophobicContact CZ-CG2 3.69Å; L292-V294 VanDerWaalsContact C-N 3.29Å; L292-V294 HydrophobicContact CB-CG2 4.33Å; L292-V294 PolarHBondContact O-N 3.03Å

Retrieved 294 of 294 residues in 70.3 ms (Link to these results)

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