A0A3Q0KLM4_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3Q0KLM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 644 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29.7	Very low	37.5	Very low	188 Å²	188	112.6 Å²	112.6	93%	0.926	56%	0.562	S	S	*	*				0	-41.6	0	-77.4	175.2	-82	0	0	112.8	L3 Q4 N5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.21Å; M1-Q4 WeakPolarHBondContact O-CB 3.48Å; M1-Q4 PolarHBondContact O-N 3.27Å; M1-N5 PolarHBondContact O-N 3.07Å
2	A	30.6	Very low	37.1	Very low	46 Å²	46	114.8 Å²	114.8	38%	0.38	58%	0.577	S	S	.	*	H	α-helix	trans	-49.3	-44.4	-178	0	0	0	0	0	115.4	Q4 N5 L6	A2-Q4 VanDerWaalsContact C-N 3.31Å; A2-Q4 PolarHBondContact O-N 3.41Å; A2-N5 PolarHBondContact O-N 2.99Å; A2-L6 PolarHBondContact O-N 2.95Å
3	L	36.3	Very low	36.7	Very low	110 Å²	110	119.2 Å²	119.2	58%	0.576	59%	0.59	S	S	*	*	H	α-helix	trans	-63.5	-32.2	176.5	-69.4	171.9	0	0	0	113.9	M1 L6 H7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.21Å; L3-L6 PolarHBondContact O-N 3.11Å; L3-H7 PolarHBondContact O-N 2.91Å
4	Q	41.1	Very low	36.2	Very low	117 Å²	117	125.6 Å²	125.6	55%	0.547	60%	0.604	S	S	.	*	H	α-helix	trans	-72.2	-41.7	177.1	-174.2	174.5	-13.5	0	0	110.7	M1 A2 L6 H7 E8	M1-Q4 WeakPolarHBondContact O-CB 3.48Å; M1-Q4 PolarHBondContact O-N 3.27Å; A2-Q4 VanDerWaalsContact C-N 3.31Å; A2-Q4 PolarHBondContact O-N 3.41Å; Q4-L6 VanDerWaalsContact C-N 3.28Å; Q4-L6 PolarHBondContact O-N 3.02Å; Q4-H7 PolarHBondContact O-N 3.39Å; Q4-H7 VanDerWaalsContact O-N 3.11Å; Q4-E8 VanDerWaalsContact CG-OE1 3.31Å; Q4-E8 WeakPolarHBondContact CG-OE1 3.47Å; Q4-E8 PolarHBondContact NE2-OE1 3.41Å; Q4-E8 PolarHBondContact O-N 3.28Å
5	N	36	Very low	36	Very low	94 Å²	94	129.1 Å²	129.1	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-59.1	-39.4	171.9	-68.2	0.4	0	0	0	111.5	M1 A2 E8 L9	M1-N5 PolarHBondContact O-N 3.07Å; A2-N5 PolarHBondContact O-N 2.99Å; N5-E8 PolarHBondContact O-N 3.49Å; N5-L9 WeakPolarHBondContact O-CB 3.38Å; N5-L9 WeakPolarHBondContact O-CD1 3.22Å; N5-L9 WeakPolarHBondContact O-CG 3.46Å; N5-L9 PolarHBondContact O-N 3.01Å
6	L	41.8	Very low	36.2	Very low	109 Å²	109	128.3 Å²	128.3	57%	0.571	63%	0.627	S	S	*	*	H	α-helix	trans	-61.8	-44.9	173.2	-91.4	166.3	0	0	0	112.2	A2 L3 Q4 Y10	A2-L6 PolarHBondContact O-N 2.95Å; L3-L6 PolarHBondContact O-N 3.11Å; Q4-L6 VanDerWaalsContact C-N 3.28Å; Q4-L6 PolarHBondContact O-N 3.02Å; L6-Y10 WeakPolarHBondContact O-CB 3.02Å; L6-Y10 PolarHBondContact O-N 3.22Å
7	H	40.3	Very low	35.8	Very low	131 Å²	131	128.4 Å²	128.4	61%	0.606	63%	0.631	S	S	*	*	H	α-helix	trans	-64.9	-39.6	179.1	-167.1	-133	0	0	0	112.3	L3 Q4 N11	L3-H7 PolarHBondContact O-N 2.91Å; Q4-H7 PolarHBondContact O-N 3.39Å; Q4-H7 VanDerWaalsContact O-N 3.11Å; H7-N11 PolarHBondContact CD2-ND2 3.46Å; H7-N11 PolarHBondContact NE2-ND2 3.12Å; H7-N11 WeakPolarHBondContact O-CB 3.35Å; H7-N11 PolarHBondContact O-N 3.04Å; H7-N11 VanDerWaalsContact O-N 3.13Å; H7-N11 PolarHBondContact O-ND2 2.95Å
8	E	39.8	Very low	35.3	Very low	95 Å²	95	133.2 Å²	133.2	44%	0.444	64%	0.641	S	S	.	*	H	α-helix	trans	-75	-40.2	178	-69.3	174.5	-158	0	0	112.4	Q4 N5 Y10 N12	Q4-E8 VanDerWaalsContact CG-OE1 3.31Å; Q4-E8 WeakPolarHBondContact CG-OE1 3.47Å; Q4-E8 PolarHBondContact NE2-OE1 3.41Å; Q4-E8 PolarHBondContact O-N 3.28Å; N5-E8 PolarHBondContact O-N 3.49Å; E8-Y10 VanDerWaalsContact C-N 3.31Å; E8-Y10 PolarHBondContact O-N 2.96Å; E8-N12 WeakPolarHBondContact O-CB 3.35Å; E8-N12 PolarHBondContact O-N 3.05Å; E8-N12 VanDerWaalsContact O-N 3.15Å; E8-N12 PolarHBondContact O-ND2 3.11Å
9	L	39.9	Very low	34.9	Very low	120 Å²	120	133.8 Å²	133.8	63%	0.628	65%	0.648	S	S	*	*	H	α-helix	trans	-64.4	-32.7	174.8	-76.4	168.2	0	0	0	112.8	N5	N5-L9 WeakPolarHBondContact O-CB 3.38Å; N5-L9 WeakPolarHBondContact O-CD1 3.22Å; N5-L9 WeakPolarHBondContact O-CG 3.46Å; N5-L9 PolarHBondContact O-N 3.01Å
10	Y	39.2	Very low	34.6	Very low	156 Å²	156	135.1 Å²	135.1	61%	0.612	66%	0.664	S	S	*	*	H	α-helix	trans	-77.6	-45.9	177.6	-156.3	-98.2	0	0	0	111.8	L6 E8 N12 K13	L6-Y10 WeakPolarHBondContact O-CB 3.02Å; L6-Y10 PolarHBondContact O-N 3.22Å; E8-Y10 VanDerWaalsContact C-N 3.31Å; E8-Y10 PolarHBondContact O-N 2.96Å; Y10-N12 VanDerWaalsContact C-N 3.26Å; Y10-N12 PolarHBondContact O-N 2.93Å; Y10-K13 PolarHBondContact O-N 3.37Å; Y10-K13 VanDerWaalsContact O-N 3.1Å
11	N	37.3	Very low	34.3	Very low	73 Å²	73	132.2 Å²	132.2	39%	0.39	67%	0.67	S	S	.	*	H	α-helix	trans	-61.9	-31.7	178.8	-83.7	-65.5	0	0	0	113.3	H7 K13	H7-N11 PolarHBondContact CD2-ND2 3.46Å; H7-N11 PolarHBondContact NE2-ND2 3.12Å; H7-N11 WeakPolarHBondContact O-CB 3.35Å; H7-N11 PolarHBondContact O-N 3.04Å; H7-N11 VanDerWaalsContact O-N 3.13Å; H7-N11 PolarHBondContact O-ND2 2.95Å; N11-K13 VanDerWaalsContact C-N 3.27Å; N11-K13 PolarHBondContact O-N 3.46Å
12	N	33.5	Very low	34.5	Very low	139 Å²	139	129.9 Å²	129.9	74%	0.743	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-10.8	177	-78.2	-40.1	0	0	0	114.6	E8 Y10 R14	E8-N12 WeakPolarHBondContact O-CB 3.35Å; E8-N12 PolarHBondContact O-N 3.05Å; E8-N12 VanDerWaalsContact O-N 3.15Å; E8-N12 PolarHBondContact O-ND2 3.11Å; Y10-N12 VanDerWaalsContact C-N 3.26Å; Y10-N12 PolarHBondContact O-N 2.93Å; N12-R14 VanDerWaalsContact C-N 3.25Å; N12-R14 PolarHBondContact O-N 3.04Å
13	K	31.2	Very low	34.5	Very low	171 Å²	171	132.3 Å²	132.3	74%	0.743	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	33.2	177.7	-76.2	-169.9	175	-177.2	0	114.5	Y10 N11 H15	Y10-K13 PolarHBondContact O-N 3.37Å; Y10-K13 VanDerWaalsContact O-N 3.1Å; N11-K13 VanDerWaalsContact C-N 3.27Å; N11-K13 PolarHBondContact O-N 3.46Å; K13-H15 PolarHBondContact O-N 3.28Å
14	R	30.6	Very low	34.6	Very low	210 Å²	210	131 Å²	131	79%	0.792	69%	0.688	S	S	*	*			trans	-77.2	81.4	169.1	-73.1	-175.1	176.4	-159.8	-0.8	111.4	N12 P16	N12-R14 VanDerWaalsContact C-N 3.25Å; N12-R14 PolarHBondContact O-N 3.04Å; R14-P16 WeakPolarHBondContact O-CD 3.45Å
15	H	32.6	Very low	34.6	Very low	177 Å²	177	133.9 Å²	133.9	82%	0.819	70%	0.699	S	S	*	*			trans	-74.8	121.4	163.9	-85.7	-69.1	0	0	0	110.6	K13 N17	K13-H15 PolarHBondContact O-N 3.28Å; H15-N17 PolarHBondContact O-N 3.01Å
16	P	39	Very low	35.2	Very low	116 Å²	116	137.1 Å²	137.1	75%	0.753	72%	0.716	S	S	*	*			trans	-88.4	106.7	177.2	33.1	-31	0	0	0	111.5	R14	R14-P16 WeakPolarHBondContact O-CD 3.45Å
17	N	29.5	Very low	36	Very low	130 Å²	130	136.6 Å²	136.6	70%	0.695	72%	0.722	S	S	*	*			trans	-144	121.6	162.1	-92.3	-52.7	0	0	0	107.4	H15	H15-N17 PolarHBondContact O-N 3.01Å
18	R	27.1	Very low	37.9	Very low	215 Å²	215	134.5 Å²	134.5	81%	0.811	72%	0.715	S	S	*	*				60.3	115.3	89.1	-75.6	-175.8	148	-175	-4.8	111.8
19	N	28.1	Very low	40.2	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	71%	0.709	S	S	*	*			cis	-143.8	155.8	12.7	-73	-42.3	0	0	0	111.8
20	V	29.4	Very low	42.6	Very low	160 Å²	160	127 Å²	127	97%	0.97	68%	0.68	S	S	*	*			trans	-78	121.2	166.9	178.2	0	0	0	0	108.3
21	G	27.8	Very low	45.2	Very low	75 Å²	75	121.5 Å²	121.5	77%	0.773	66%	0.661	S	S	*	*			trans	174.9	35.9	-172.6	0	0	0	0	0	117.8
22	D	33.5	Very low	47.9	Very low	139 Å²	139	118 Å²	118	74%	0.743	64%	0.642	S	S	*	*			trans	-142.5	159.4	156.3	-165.7	19.4	0	0	0	110.8
23	S	31.2	Very low	50.9	Low	96 Å²	96	114.1 Å²	114.1	67%	0.671	62%	0.618	S	S	*	*			trans	-106.8	138.2	-154.4	-39.8	0	0	0	0	113	K25	S23-K25 VanDerWaalsContact C-N 3.28Å; S23-K25 PolarHBondContact O-N 3.17Å
24	G	37.2	Very low	54	Low	84 Å²	84	106 Å²	106	87%	0.866	58%	0.582	S	S	*	*			trans	66.6	4.3	141	0	0	0	0	0	119.5	N26	G24-N26 PolarHBondContact O-N 2.94Å; G24-N26 VanDerWaalsContact O-N 3.08Å
25	K	42.1	Very low	57.2	Low	177 Å²	177	97.2 Å²	97.2	77%	0.77	55%	0.552	S	S	*	*			trans	-71.4	103.4	170.4	-74.9	-179.5	-178.7	168.3	0	110	S23 S27	S23-K25 VanDerWaalsContact C-N 3.28Å; S23-K25 PolarHBondContact O-N 3.17Å; K25-S27 VanDerWaalsContact C-N 3.3Å; K25-S27 PolarHBondContact O-N 3.31Å
26	N	47.2	Very low	60.2	Low	162 Å²	162	88.8 Å²	88.8	87%	0.866	51%	0.513	S	S	*	.			trans	-58.6	96.5	156.9	-90.2	-5.6	0	0	0	107.9	G24 N28	G24-N26 PolarHBondContact O-N 2.94Å; G24-N26 VanDerWaalsContact O-N 3.08Å; N26-N28 PolarHBondContact O-N 3.42Å
27	S	58.9	Low	62.9	Low	97 Å²	97	83.8 Å²	83.8	68%	0.678	48%	0.481	S	S	*	.			trans	-72.2	80.7	172.1	58.1	0	0	0	0	108.9	K25 T29	K25-S27 VanDerWaalsContact C-N 3.3Å; K25-S27 PolarHBondContact O-N 3.31Å; S27-T29 PolarHBondContact O-N 3.06Å
28	N	81.5	Confident	65.9	Low	87 Å²	87	79.8 Å²	79.8	47%	0.465	46%	0.463	S	S	.	.			trans	-71.3	13.9	173.4	-157.4	75	0	0	0	112.1	N26 D47 H48	N26-N28 PolarHBondContact O-N 3.42Å; N28-D47 PolarHBondContact ND2-OD1 3.23Å; N28-D47 PolarHBondContact ND2-OD2 3.07Å; N28-H48 WeakPolarHBondContact O-CB 3.37Å; N28-H48 PolarHBondContact O-N 2.88Å
29	T	88.3	Confident	69	Low	53 Å²	53	73.6 Å²	73.6	33%	0.325	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145	-175.6	50.8	0	0	0	0	111.6	S27 E45 V46	S27-T29 PolarHBondContact O-N 3.06Å; T29-E45 WeakPolarHBondContact CB-OE1 3.12Å; T29-E45 HydrophobicContact CG2-CG 4.04Å; T29-E45 WeakPolarHBondContact CG2-OE1 3.28Å; T29-E45 PolarHBondContact OG1-OE1 3.49Å; T29-V46 CarbonylContact C-O 3.57Å; T29-V46 WeakPolarHBondContact CA-O 3.19Å; T29-V46 WeakPolarHBondContact CB-O 3.38Å
30	L	89.8	Confident	72.1	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.021	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.3	173.2	-65.7	164.7	0	0	0	108.9	V46 H48 P100 Y102	L30-V46 HydrophobicContact CB-CG2 3.94Å; L30-V46 PolarHBondContact N-O 3.5Å; L30-V46 PolarHBondContact O-N 2.8Å; L30-V46 VanDerWaalsContact O-N 3.07Å; L30-H48 HydrophobicContact CG-CB 4.5Å; L30-P100 HydrophobicContact CD2-CB 4.11Å; L30-P100 HydrophobicContact CD2-CG 3.85Å; L30-Y102 HydrophobicContact CD1-CE2 4.11Å; L30-Y102 HydrophobicContact CD2-CE2 3.97Å; L30-Y102 HydrophobicContact CG-CE2 4.43Å
31	M	93	Very high	75.3	Confident	42 Å²	42	68.1 Å²	68.1	21%	0.207	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.7	174.9	-163.7	57.3	57.3	0	0	110.4	Q43 E45 P101 Y102	M31-Q43 HydrophobicContact CG-CG 4.29Å; M31-Q43 HydrophobicContact SD-CG 3.37Å; M31-Q43 WeakPolarHBondContact SD-CG 3.48Å; M31-Q43 PolarHBondContact SD-NE2 3.12Å; M31-Q43 VanDerWaalsContact SD-NE2 3.35Å; M31-E45 HydrophobicContact CE-CB 3.8Å; M31-E45 HydrophobicContact CE-CG 3.74Å; M31-E45 HydrophobicContact SD-CB 4.21Å; M31-P101 HydrophobicContact CB-CB 4.23Å; M31-P101 HydrophobicContact CG-CB 4.5Å; M31-P101 CarbonylContact O-C 3.52Å; M31-P101 WeakPolarHBondContact O-CA 3.35Å; M31-Y102 PolarHBondContact O-N 3.21Å
32	C	95.3	Very high	78.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.8	-180	-63.4	0	0	0	0	110.5	V34 V44 Y102 L104	C32-V34 HydrophobicContact CB-CG2 4.29Å; C32-V44 HydrophobicContact CB-CB 4.42Å; C32-V44 PolarHBondContact N-O 3.47Å; C32-V44 PolarHBondContact O-N 2.88Å; C32-Y102 CarbonylContact C-O 3.57Å; C32-Y102 WeakPolarHBondContact CA-O 3.44Å; C32-L104 HydrophobicContact CB-CD1 3.97Å
33	Y	95.6	Very high	81.5	Confident	57 Å²	57	67 Å²	67	22%	0.224	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.7	169	-67.7	-60.7	0	0	0	109.1	V41 Y42 Q43 P101 Y102 H103 L104	Y33-V41 HydrophobicContact CD1-CG1 4.42Å; Y33-Y42 CarbonylContact C-O 3.55Å; Y33-Y42 WeakPolarHBondContact CA-O 3.48Å; Y33-Q43 HydrophobicContact CD1-CB 4.22Å; Y33-Q43 HydrophobicContact CD1-CG 4.37Å; Y33-Q43 HydrophobicContact CE1-CB 4.05Å; Y33-Q43 HydrophobicContact CE1-CG 3.9Å; Y33-P101 HydrophobicContact CD2-CB 3.85Å; Y33-P101 HydrophobicContact CD2-CG 4.26Å; Y33-P101 HydrophobicContact CE2-CB 3.67Å; Y33-P101 HydrophobicContact CE2-CG 3.87Å; Y33-Y102 PolarHBondContact N-O 3.43Å; Y33-H103 AromaticContact CD2-CE1 3.73Å; Y33-L104 PolarHBondContact O-N 3.5Å
34	V	97.2	Very high	84.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.1	-173.9	-165.8	0	0	0	0	110.3	C32 V41 Y42 V44 V55 M59 I74 L104 F106	C32-V34 HydrophobicContact CB-CG2 4.29Å; V34-V41 WeakPolarHBondContact O-CA 3.39Å; V34-Y42 PolarHBondContact N-O 3.16Å; V34-Y42 PolarHBondContact O-N 3.17Å; V34-V44 HydrophobicContact CG2-CB 4.35Å; V34-V44 HydrophobicContact CG2-CG2 3.86Å; V34-V55 HydrophobicContact CG2-CG1 3.86Å; V34-M59 HydrophobicContact CB-CE 3.99Å; V34-M59 HydrophobicContact CB-CG 4.23Å; V34-M59 HydrophobicContact CB-SD 3.72Å; V34-M59 HydrophobicContact CG1-CE 3.87Å; V34-M59 HydrophobicContact CG1-CG 4Å; V34-M59 HydrophobicContact CG1-SD 3.99Å; V34-M59 HydrophobicContact CG2-CG 4.22Å; V34-M59 HydrophobicContact CG2-SD 4.02Å; V34-I74 HydrophobicContact CG1-CD1 4.13Å; V34-L104 CarbonylContact C-O 3.56Å; V34-L104 WeakPolarHBondContact CA-O 3.34Å; V34-L104 HydrophobicContact CG1-CB 4.4Å; V34-L104 HydrophobicContact CG2-CB 4.31Å; V34-F106 HydrophobicContact CG1-CB 3.66Å
35	T	96.3	Very high	87.3	Confident	25 Å²	25	63.3 Å²	63.3	15%	0.153	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.5	-173.9	-51.9	0	0	0	0	111	Q40 V41 L104 Y105 F106 R107	T35-Q40 WeakPolarHBondContact CA-O 3.48Å; T35-V41 HydrophobicContact CG2-CG2 4.11Å; T35-L104 PolarHBondContact N-O 3.07Å; T35-Y105 HydrophobicContact CG2-CD1 4.27Å; T35-Y105 HydrophobicContact CG2-CE1 4.39Å; T35-Y105 WeakPolarHBondContact O-CA 3.46Å; T35-F106 PolarHBondContact O-N 3.34Å; T35-F106 VanDerWaalsContact O-N 3.14Å; T35-R107 PolarHBondContact O-NH1 2.94Å
36	L	96.9	Very high	89.7	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-75.6	172.3	176.9	-60.2	-164.4	0	0	0	112.6	S38 S39 Q40 Y42 M59 I63 F106 R107	L36-S38 VanDerWaalsContact CB-OG 3.3Å; L36-S38 WeakPolarHBondContact CB-OG 3.36Å; L36-S38 PolarHBondContact O-N 3.32Å; L36-S39 PolarHBondContact O-N 3.36Å; L36-Q40 HydrophobicContact CD1-CB 4.41Å; L36-Q40 HydrophobicContact CG-CB 4.47Å; L36-Q40 PolarHBondContact N-O 3.45Å; L36-Y42 HydrophobicContact CD1-CD2 4.31Å; L36-Y42 HydrophobicContact CD1-CE2 3.58Å; L36-Y42 HydrophobicContact CG-CD2 4.12Å; L36-Y42 HydrophobicContact CG-CE2 3.88Å; L36-M59 HydrophobicContact CD2-CE 3.5Å; L36-M59 HydrophobicContact CG-CE 4.46Å; L36-I63 HydrophobicContact CD1-CD1 4.32Å; L36-I63 HydrophobicContact CD2-CD1 4.01Å; L36-F106 HydrophobicContact CD2-CB 3.96Å; L36-F106 HydrophobicContact CD2-CD1 3.85Å; L36-F106 HydrophobicContact CD2-CG 4.21Å; L36-R107 PolarHBondContact O-NH1 2.81Å; L36-R107 PolarHBondContact O-NH2 3.03Å
37	A	94.6	Very high	91.9	Very high	10 Å²	10	49.9 Å²	49.9	8%	0.083	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.5	170.6	0	0	0	0	0	112.4	S39 T128 N129	A37-S39 PolarHBondContact O-N 3.13Å; A37-T128 WeakPolarHBondContact CB-O 3.46Å; A37-N129 HydrophobicContact CB-CB 4.38Å
38	S	92.7	Very high	93.3	Very high	46 Å²	46	49.7 Å²	49.7	32%	0.322	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	2	170.1	56.9	0	0	0	0	114.5	L36 Q40	L36-S38 VanDerWaalsContact CB-OG 3.3Å; L36-S38 WeakPolarHBondContact CB-OG 3.36Å; L36-S38 PolarHBondContact O-N 3.32Å; S38-Q40 PolarHBondContact O-N 2.76Å; S38-Q40 VanDerWaalsContact O-N 3.17Å; S38-Q40 PolarHBondContact OG-OE1 3.04Å
39	S	92.4	Very high	93.7	Very high	85 Å²	85	52.2 Å²	52.2	59%	0.594	27%	0.267	S	S	*	.	S	Bend	trans	61.3	9.7	-171	-53.1	0	0	0	0	115.6	L36 A37	L36-S39 PolarHBondContact O-N 3.36Å; A37-S39 PolarHBondContact O-N 3.13Å
40	Q	93.9	Very high	93.9	Very high	102 Å²	102	50 Å²	50	48%	0.477	25%	0.254	S	S	.	.			trans	-69.7	139.3	167.3	-68.5	162.9	-48.4	0	0	109.8	T35 L36 S38 Y42	T35-Q40 WeakPolarHBondContact CA-O 3.48Å; L36-Q40 HydrophobicContact CD1-CB 4.41Å; L36-Q40 HydrophobicContact CG-CB 4.47Å; L36-Q40 PolarHBondContact N-O 3.45Å; S38-Q40 PolarHBondContact O-N 2.76Å; S38-Q40 VanDerWaalsContact O-N 3.17Å; S38-Q40 PolarHBondContact OG-OE1 3.04Å; Q40-Y42 HydrophobicContact CB-CE2 4.07Å
41	V	95.6	Very high	94	Very high	88 Å²	88	51.9 Å²	51.9	53%	0.533	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.7	-179.6	-175.9	0	0	0	0	109.6	Y33 V34 T35	Y33-V41 HydrophobicContact CD1-CG1 4.42Å; V34-V41 WeakPolarHBondContact O-CA 3.39Å; T35-V41 HydrophobicContact CG2-CG2 4.11Å
42	Y	96.1	Very high	94.1	Very high	68 Å²	68	49.9 Å²	49.9	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.1	177.1	-71.3	-107.4	0	0	0	109.7	Y33 V34 L36 Q40 M59 L62	Y33-Y42 CarbonylContact C-O 3.55Å; Y33-Y42 WeakPolarHBondContact CA-O 3.48Å; V34-Y42 PolarHBondContact N-O 3.16Å; V34-Y42 PolarHBondContact O-N 3.17Å; L36-Y42 HydrophobicContact CD1-CD2 4.31Å; L36-Y42 HydrophobicContact CD1-CE2 3.58Å; L36-Y42 HydrophobicContact CG-CD2 4.12Å; L36-Y42 HydrophobicContact CG-CE2 3.88Å; Q40-Y42 HydrophobicContact CB-CE2 4.07Å; Y42-M59 HydrophobicContact CD2-CE 3.85Å; Y42-M59 HydrophobicContact CG-CE 3.86Å; Y42-M59 HydrophobicContact CG-SD 4.16Å; Y42-L62 HydrophobicContact CD1-CB 4.37Å; Y42-L62 HydrophobicContact CD1-CD1 4.23Å; Y42-L62 HydrophobicContact CE1-CB 4.34Å
43	Q	95.7	Very high	94.1	Very high	122 Å²	122	51 Å²	51	57%	0.57	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	122.4	170.6	-177.1	176.6	-40.7	0	0	108.7	M31 Y33	M31-Q43 HydrophobicContact CG-CG 4.29Å; M31-Q43 HydrophobicContact SD-CG 3.37Å; M31-Q43 WeakPolarHBondContact SD-CG 3.48Å; M31-Q43 PolarHBondContact SD-NE2 3.12Å; M31-Q43 VanDerWaalsContact SD-NE2 3.35Å; Y33-Q43 HydrophobicContact CD1-CB 4.22Å; Y33-Q43 HydrophobicContact CD1-CG 4.37Å; Y33-Q43 HydrophobicContact CE1-CB 4.05Å; Y33-Q43 HydrophobicContact CE1-CG 3.9Å
44	V	94.8	Very high	94	Very high	5 Å²	5	51 Å²	51	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.8	-178	-174.1	0	0	0	0	109	C32 V34 V46 K58 M59 L62	C32-V44 HydrophobicContact CB-CB 4.42Å; C32-V44 PolarHBondContact N-O 3.47Å; C32-V44 PolarHBondContact O-N 2.88Å; V34-V44 HydrophobicContact CG2-CB 4.35Å; V34-V44 HydrophobicContact CG2-CG2 3.86Å; V44-V46 HydrophobicContact CG1-CG1 4.09Å; V44-K58 HydrophobicContact CG1-CB 3.89Å; V44-K58 HydrophobicContact CG1-CD 3.84Å; V44-K58 HydrophobicContact CG1-CG 4.49Å; V44-M59 HydrophobicContact CG2-CG 4.23Å; V44-M59 HydrophobicContact CG2-SD 3.56Å; V44-M59 VanDerWaalsContact CG2-SD 3.56Å; V44-L62 HydrophobicContact CG2-CD1 4.41Å
45	E	94.5	Very high	94	Very high	98 Å²	98	51 Å²	51	46%	0.458	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.4	175	-170.5	169.2	-177.1	0	0	109.8	T29 M31 K58	T29-E45 WeakPolarHBondContact CB-OE1 3.12Å; T29-E45 HydrophobicContact CG2-CG 4.04Å; T29-E45 WeakPolarHBondContact CG2-OE1 3.28Å; T29-E45 PolarHBondContact OG1-OE1 3.49Å; M31-E45 HydrophobicContact CE-CB 3.8Å; M31-E45 HydrophobicContact CE-CG 3.74Å; M31-E45 HydrophobicContact SD-CB 4.21Å; E45-K58 PolarHBondContact O-NZ 2.66Å
46	V	94.4	Very high	94	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	164.2	-179.2	-59.6	0	0	0	0	110.6	T29 L30 V44 A50 E54 V55 K58 L92	T29-V46 CarbonylContact C-O 3.57Å; T29-V46 WeakPolarHBondContact CA-O 3.19Å; T29-V46 WeakPolarHBondContact CB-O 3.38Å; L30-V46 HydrophobicContact CB-CG2 3.94Å; L30-V46 PolarHBondContact N-O 3.5Å; L30-V46 PolarHBondContact O-N 2.8Å; L30-V46 VanDerWaalsContact O-N 3.07Å; V44-V46 HydrophobicContact CG1-CG1 4.09Å; V46-A50 HydrophobicContact CB-CB 3.75Å; V46-A50 HydrophobicContact CG2-CB 3.85Å; V46-E54 WeakPolarHBondContact CA-OE1 3.35Å; V46-E54 VanDerWaalsContact CB-OE1 3.26Å; V46-E54 WeakPolarHBondContact CB-OE1 3.42Å; V46-E54 HydrophobicContact CG1-CG 4.29Å; V46-E54 WeakPolarHBondContact CG1-OE1 3.2Å; V46-V55 HydrophobicContact CG1-CG2 3.65Å; V46-V55 HydrophobicContact CG2-CG2 4.33Å; V46-K58 HydrophobicContact CG1-CD 3.98Å; V46-L92 HydrophobicContact CG2-CD1 4.02Å
47	D	92.4	Very high	93.9	Very high	54 Å²	54	53.8 Å²	53.8	29%	0.289	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	154.8	174.3	-170	-91.8	0	0	0	111.8	N28 K49 A50	N28-D47 PolarHBondContact ND2-OD1 3.23Å; N28-D47 PolarHBondContact ND2-OD2 3.07Å; D47-K49 PolarHBondContact O-N 3.49Å; D47-K49 VanDerWaalsContact O-N 3.13Å; D47-K49 WeakPolarHBondContact OD1-CB 3.09Å; D47-K49 WeakPolarHBondContact OD1-CG 3.43Å; D47-K49 PolarHBondContact OD1-N 3.28Å; D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 3.18Å
48	H	88.6	Confident	94	Very high	93 Å²	93	56.9 Å²	56.9	43%	0.431	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.7	173.6	-177.4	-89	0	0	0	113.9	N28 L30 S93	N28-H48 WeakPolarHBondContact O-CB 3.37Å; N28-H48 PolarHBondContact O-N 2.88Å; L30-H48 HydrophobicContact CG-CB 4.5Å; H48-S93 PolarHBondContact O-OG 3.41Å
49	K	89.4	Confident	94.2	Very high	140 Å²	140	54.7 Å²	54.7	61%	0.609	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6	177.8	-60.2	173.2	-176	173.4	0	113.8	D47 R91	D47-K49 PolarHBondContact O-N 3.49Å; D47-K49 VanDerWaalsContact O-N 3.13Å; D47-K49 WeakPolarHBondContact OD1-CB 3.09Å; D47-K49 WeakPolarHBondContact OD1-CG 3.43Å; D47-K49 PolarHBondContact OD1-N 3.28Å; K49-R91 WeakPolarHBondContact O-CG 3.39Å
50	A	91.9	Very high	94.3	Very high	6 Å²	6	50.8 Å²	50.8	5%	0.05	25%	0.245	C	C	.	.			trans	-56.3	140.1	-174.4	0	0	0	0	0	113.3	V46 D47 E54 R91 L92	V46-A50 HydrophobicContact CB-CB 3.75Å; V46-A50 HydrophobicContact CG2-CB 3.85Å; D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 3.18Å; A50-E54 HydrophobicContact CB-CB 4.19Å; A50-E54 WeakPolarHBondContact CB-OE2 3.22Å; A50-R91 VanDerWaalsContact O-CA 3.29Å; A50-R91 WeakPolarHBondContact O-CA 3.29Å; A50-L92 HydrophobicContact CB-CD1 4.39Å; A50-L92 PolarHBondContact O-N 3.31Å
51	D	93.2	Very high	94.4	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.241	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-76.5	169.1	165.7	74.9	-6.5	0	0	0	110.6	Q53 E54 S88 L92 R345	D51-Q53 PolarHBondContact O-N 3.41Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.42Å; D51-Q53 PolarHBondContact OD1-N 3.5Å; D51-Q53 WeakPolarHBondContact OD2-CB 3.27Å; D51-E54 PolarHBondContact O-N 2.88Å; D51-E54 PolarHBondContact OD1-N 3.43Å; D51-S88 WeakPolarHBondContact CB-O 3.35Å; D51-L92 WeakPolarHBondContact O-CD1 3.4Å; D51-R345 IonicContact OD2-NH2 2.68Å; D51-R345 PolarHBondContact OD2-NH2 2.88Å
52	C	94.2	Very high	94.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.3	-16.6	177.4	-176.3	0	0	0	0	112.2	V55 I56 L86 N87 S88 N90 L92	C52-V55 PolarHBondContact O-N 2.91Å; C52-I56 WeakPolarHBondContact O-CG1 3.44Å; C52-I56 PolarHBondContact O-N 3.13Å; C52-L86 HydrophobicContact CB-CB 4.36Å; C52-N87 WeakPolarHBondContact CB-O 3.23Å; C52-S88 PolarHBondContact N-O 3.06Å; C52-N90 PolarHBondContact N-O 2.85Å; C52-L92 HydrophobicContact CB-CD2 3.73Å; C52-L92 HydrophobicContact CB-CG 4.08Å
53	Q	94.8	Very high	94.3	Very high	23 Å²	23	53 Å²	53	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-41.3	171.6	-167.7	73.7	48.1	0	0	111.7	D51 V55 I56 D57 S88	D51-Q53 PolarHBondContact O-N 3.41Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.42Å; D51-Q53 PolarHBondContact OD1-N 3.5Å; D51-Q53 WeakPolarHBondContact OD2-CB 3.27Å; Q53-V55 PolarHBondContact O-N 3.36Å; Q53-V55 VanDerWaalsContact O-N 3.13Å; Q53-I56 CarbonylContact O-C 3.57Å; Q53-I56 WeakPolarHBondContact O-CA 3.29Å; Q53-I56 WeakPolarHBondContact O-CB 3.43Å; Q53-I56 PolarHBondContact O-N 3.15Å; Q53-D57 PolarHBondContact NE2-OD1 3.36Å; Q53-D57 PolarHBondContact O-N 3.28Å; Q53-S88 WeakPolarHBondContact CB-O 3.31Å; Q53-S88 PolarHBondContact N-O 3.17Å; Q53-S88 PolarHBondContact OE1-OG 3.27Å
54	E	95	Very high	94.1	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.271	25%	0.249	S	C	.	.	H	α-helix	trans	-56.2	-34.6	178.7	-162.2	-167.9	127.1	0	0	112.4	V46 A50 D51 K58	V46-E54 WeakPolarHBondContact CA-OE1 3.35Å; V46-E54 VanDerWaalsContact CB-OE1 3.26Å; V46-E54 WeakPolarHBondContact CB-OE1 3.42Å; V46-E54 HydrophobicContact CG1-CG 4.29Å; V46-E54 WeakPolarHBondContact CG1-OE1 3.2Å; A50-E54 HydrophobicContact CB-CB 4.19Å; A50-E54 WeakPolarHBondContact CB-OE2 3.22Å; D51-E54 PolarHBondContact O-N 2.88Å; D51-E54 PolarHBondContact OD1-N 3.43Å; E54-K58 HydrophobicContact CG-CD 4.33Å; E54-K58 VanDerWaalsContact O-CB 3.3Å; E54-K58 WeakPolarHBondContact O-CB 3.26Å; E54-K58 VanDerWaalsContact O-CG 3.27Å; E54-K58 WeakPolarHBondContact O-CG 3.37Å; E54-K58 PolarHBondContact O-N 3.1Å; E54-K58 VanDerWaalsContact O-N 3.08Å; E54-K58 WeakPolarHBondContact OE1-CE 3.43Å; E54-K58 IonicContact OE1-NZ 2.63Å; E54-K58 PolarHBondContact OE1-NZ 2.97Å
55	V	96	Very high	94.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.7	-40.2	173.3	172.8	0	0	0	0	111.8	V34 V46 C52 Q53 M59 I74 L92 L104	V34-V55 HydrophobicContact CG2-CG1 3.86Å; V46-V55 HydrophobicContact CG1-CG2 3.65Å; V46-V55 HydrophobicContact CG2-CG2 4.33Å; C52-V55 PolarHBondContact O-N 2.91Å; Q53-V55 PolarHBondContact O-N 3.36Å; Q53-V55 VanDerWaalsContact O-N 3.13Å; V55-M59 HydrophobicContact CG1-CG 4.44Å; V55-M59 WeakPolarHBondContact O-CB 3.16Å; V55-M59 WeakPolarHBondContact O-CG 3.17Å; V55-M59 PolarHBondContact O-N 2.86Å; V55-I74 HydrophobicContact CG1-CD1 4.07Å; V55-I74 HydrophobicContact CG1-CG1 4.32Å; V55-L92 HydrophobicContact CB-CD1 4.49Å; V55-L92 HydrophobicContact CG2-CD1 3.5Å; V55-L92 VanDerWaalsContact CG2-CD1 3.5Å; V55-L104 HydrophobicContact CG1-CD1 4.24Å
56	I	96.3	Very high	93.7	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-50.2	174.9	-66.3	167.4	0	0	0	109.8	C52 Q53 K58 M59 C60 I74 F106	C52-I56 WeakPolarHBondContact O-CG1 3.44Å; C52-I56 PolarHBondContact O-N 3.13Å; Q53-I56 CarbonylContact O-C 3.57Å; Q53-I56 WeakPolarHBondContact O-CA 3.29Å; Q53-I56 WeakPolarHBondContact O-CB 3.43Å; Q53-I56 PolarHBondContact O-N 3.15Å; I56-K58 PolarHBondContact O-N 3.42Å; I56-M59 PolarHBondContact O-N 3.03Å; I56-M59 VanDerWaalsContact O-N 3.15Å; I56-C60 WeakPolarHBondContact O-CB 3.43Å; I56-C60 PolarHBondContact O-N 3.02Å; I56-C60 PolarHBondContact O-SG 2.99Å; I56-I74 HydrophobicContact CD1-CG1 4.43Å; I56-I74 HydrophobicContact CG1-CD1 4.29Å; I56-I74 HydrophobicContact CG1-CG1 3.79Å; I56-F106 HydrophobicContact CG2-CE2 4.38Å
57	D	95.6	Very high	93.4	Very high	77 Å²	77	48.9 Å²	48.9	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-41.1	-176.5	-63.8	-8.7	0	0	0	111.6	Q53 K61	Q53-D57 PolarHBondContact NE2-OD1 3.36Å; Q53-D57 PolarHBondContact O-N 3.28Å; D57-K61 VanDerWaalsContact O-CB 3.28Å; D57-K61 WeakPolarHBondContact O-CB 3.37Å; D57-K61 PolarHBondContact O-N 3.04Å
58	K	96	Very high	93.5	Very high	75 Å²	75	46.3 Å²	46.3	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-41.1	172.8	-78.6	172	173.1	175.4	0	112	V44 E45 V46 E54 I56 L62	V44-K58 HydrophobicContact CG1-CB 3.89Å; V44-K58 HydrophobicContact CG1-CD 3.84Å; V44-K58 HydrophobicContact CG1-CG 4.49Å; E45-K58 PolarHBondContact O-NZ 2.66Å; V46-K58 HydrophobicContact CG1-CD 3.98Å; E54-K58 HydrophobicContact CG-CD 4.33Å; E54-K58 VanDerWaalsContact O-CB 3.3Å; E54-K58 WeakPolarHBondContact O-CB 3.26Å; E54-K58 VanDerWaalsContact O-CG 3.27Å; E54-K58 WeakPolarHBondContact O-CG 3.37Å; E54-K58 PolarHBondContact O-N 3.1Å; E54-K58 VanDerWaalsContact O-N 3.08Å; E54-K58 WeakPolarHBondContact OE1-CE 3.43Å; E54-K58 IonicContact OE1-NZ 2.63Å; E54-K58 PolarHBondContact OE1-NZ 2.97Å; I56-K58 PolarHBondContact O-N 3.42Å; K58-L62 WeakPolarHBondContact O-CB 3.48Å; K58-L62 WeakPolarHBondContact O-CD1 3.43Å; K58-L62 VanDerWaalsContact O-CG 3.22Å; K58-L62 WeakPolarHBondContact O-CG 3.43Å; K58-L62 PolarHBondContact O-N 3.19Å
59	M	96.6	Very high	93.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-46.4	176.3	-73.9	-62.7	-61.7	0	0	112.3	V34 L36 Y42 V44 V55 I56 K61 L62 I63 F106	V34-M59 HydrophobicContact CB-CE 3.99Å; V34-M59 HydrophobicContact CB-CG 4.23Å; V34-M59 HydrophobicContact CB-SD 3.72Å; V34-M59 HydrophobicContact CG1-CE 3.87Å; V34-M59 HydrophobicContact CG1-CG 4Å; V34-M59 HydrophobicContact CG1-SD 3.99Å; V34-M59 HydrophobicContact CG2-CG 4.22Å; V34-M59 HydrophobicContact CG2-SD 4.02Å; L36-M59 HydrophobicContact CD2-CE 3.5Å; L36-M59 HydrophobicContact CG-CE 4.46Å; Y42-M59 HydrophobicContact CD2-CE 3.85Å; Y42-M59 HydrophobicContact CG-CE 3.86Å; Y42-M59 HydrophobicContact CG-SD 4.16Å; V44-M59 HydrophobicContact CG2-CG 4.23Å; V44-M59 HydrophobicContact CG2-SD 3.56Å; V44-M59 VanDerWaalsContact CG2-SD 3.56Å; V55-M59 HydrophobicContact CG1-CG 4.44Å; V55-M59 WeakPolarHBondContact O-CB 3.16Å; V55-M59 WeakPolarHBondContact O-CG 3.17Å; V55-M59 PolarHBondContact O-N 2.86Å; I56-M59 PolarHBondContact O-N 3.03Å; I56-M59 VanDerWaalsContact O-N 3.15Å; M59-K61 VanDerWaalsContact C-N 3.32Å; M59-K61 PolarHBondContact O-N 3.42Å; M59-L62 PolarHBondContact O-N 3.02Å; M59-L62 VanDerWaalsContact O-N 3.14Å; M59-L62 HydrophobicContact SD-CD1 4.49Å; M59-I63 HydrophobicContact CE-CD1 4.3Å; M59-I63 WeakPolarHBondContact O-CB 3.3Å; M59-I63 WeakPolarHBondContact O-CD1 3.2Å; M59-I63 VanDerWaalsContact O-CG1 3.29Å; M59-I63 WeakPolarHBondContact O-CG1 3.48Å; M59-I63 PolarHBondContact O-N 3Å; M59-F106 HydrophobicContact CB-CD2 3.81Å; M59-F106 HydrophobicContact CB-CE2 3.85Å; M59-F106 HydrophobicContact CE-CB 4.48Å; M59-F106 HydrophobicContact CG-CD2 4.32Å
60	C	96.2	Very high	94	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-57.1	-45	175.1	-71.3	0	0	0	0	111.1	I56 L62 I63 G64 I65 A69	I56-C60 WeakPolarHBondContact O-CB 3.43Å; I56-C60 PolarHBondContact O-N 3.02Å; I56-C60 PolarHBondContact O-SG 2.99Å; C60-L62 PolarHBondContact O-N 3.07Å; C60-I63 PolarHBondContact O-N 3.42Å; C60-G64 PolarHBondContact O-N 3.06Å; C60-I65 CarbonylContact C-O 3.57Å; C60-I65 HydrophobicContact CB-CB 4.14Å; C60-I65 HydrophobicContact CB-CG2 4.43Å; C60-I65 WeakPolarHBondContact CB-O 3.36Å; C60-I65 PolarHBondContact O-N 3.41Å; C60-A69 HydrophobicContact CB-CB 4.11Å
61	K	95.2	Very high	94.2	Very high	182 Å²	182	37 Å²	37	79%	0.791	20%	0.2	S	C	*	.	H	α-helix	trans	-64	-35.6	175	-175.8	171.7	-179.2	172.9	0	113.9	D57 M59	D57-K61 VanDerWaalsContact O-CB 3.28Å; D57-K61 WeakPolarHBondContact O-CB 3.37Å; D57-K61 PolarHBondContact O-N 3.04Å; M59-K61 VanDerWaalsContact C-N 3.32Å; M59-K61 PolarHBondContact O-N 3.42Å
62	L	95.1	Very high	94.4	Very high	100 Å²	100	35.2 Å²	35.2	52%	0.524	19%	0.191	S	C	.	.	H	α-helix	trans	-73.6	-26.7	176	-76.2	166.7	0	0	0	113.2	Y42 V44 K58 M59 C60	Y42-L62 HydrophobicContact CD1-CB 4.37Å; Y42-L62 HydrophobicContact CD1-CD1 4.23Å; Y42-L62 HydrophobicContact CE1-CB 4.34Å; V44-L62 HydrophobicContact CG2-CD1 4.41Å; K58-L62 WeakPolarHBondContact O-CB 3.48Å; K58-L62 WeakPolarHBondContact O-CD1 3.43Å; K58-L62 VanDerWaalsContact O-CG 3.22Å; K58-L62 WeakPolarHBondContact O-CG 3.43Å; K58-L62 PolarHBondContact O-N 3.19Å; M59-L62 PolarHBondContact O-N 3.02Å; M59-L62 VanDerWaalsContact O-N 3.14Å; M59-L62 HydrophobicContact SD-CD1 4.49Å; C60-L62 PolarHBondContact O-N 3.07Å
63	I	93.9	Very high	94.5	Very high	24 Å²	24	35.3 Å²	35.3	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-87	-35.7	178.4	-69.3	162.2	0	0	0	111.4	L36 M59 C60 I65 F106 E121 Q125	L36-I63 HydrophobicContact CD1-CD1 4.32Å; L36-I63 HydrophobicContact CD2-CD1 4.01Å; M59-I63 HydrophobicContact CE-CD1 4.3Å; M59-I63 WeakPolarHBondContact O-CB 3.3Å; M59-I63 WeakPolarHBondContact O-CD1 3.2Å; M59-I63 VanDerWaalsContact O-CG1 3.29Å; M59-I63 WeakPolarHBondContact O-CG1 3.48Å; M59-I63 PolarHBondContact O-N 3Å; C60-I63 PolarHBondContact O-N 3.42Å; I63-I65 HydrophobicContact CB-CD1 4.44Å; I63-I65 HydrophobicContact CG2-CD1 3.71Å; I63-I65 HydrophobicContact CG2-CG1 4.1Å; I63-F106 HydrophobicContact CD1-CD1 4.2Å; I63-F106 HydrophobicContact CD1-CE1 3.79Å; I63-F106 HydrophobicContact CD1-CZ 4.19Å; I63-E121 HydrophobicContact CG2-CG 3.49Å; I63-E121 VanDerWaalsContact CG2-CG 3.49Å; I63-E121 WeakPolarHBondContact CG2-OE1 3.42Å; I63-Q125 HydrophobicContact CG2-CG 4.06Å
64	G	92.6	Very high	94.6	Very high	49 Å²	49	34.2 Å²	34.2	51%	0.505	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	21.4	-175.4	0	0	0	0	0	114.6	C60	C60-G64 PolarHBondContact O-N 3.06Å
65	I	93.3	Very high	94.6	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	18%	0.179	C	C	.	.			trans	-100.2	128.9	177.5	-64.5	159.4	0	0	0	108.9	C60 I63 E68 A69 F72 E121 Q125	C60-I65 CarbonylContact C-O 3.57Å; C60-I65 HydrophobicContact CB-CB 4.14Å; C60-I65 HydrophobicContact CB-CG2 4.43Å; C60-I65 WeakPolarHBondContact CB-O 3.36Å; C60-I65 PolarHBondContact O-N 3.41Å; I63-I65 HydrophobicContact CB-CD1 4.44Å; I63-I65 HydrophobicContact CG2-CD1 3.71Å; I63-I65 HydrophobicContact CG2-CG1 4.1Å; I65-E68 HydrophobicContact CG2-CB 4.36Å; I65-A69 HydrophobicContact CG2-CB 4.39Å; I65-F72 HydrophobicContact CD1-CE1 4.5Å; I65-F72 HydrophobicContact CD1-CE2 3.79Å; I65-F72 HydrophobicContact CD1-CZ 3.76Å; I65-F72 HydrophobicContact CG2-CE2 4.18Å; I65-E121 HydrophobicContact CG1-CB 4.47Å; I65-E121 HydrophobicContact CG1-CG 4.18Å; I65-Q125 HydrophobicContact CD1-CG 3.97Å
66	T	86.8	Confident	94.5	Very high	75 Å²	75	33.1 Å²	33.1	46%	0.46	18%	0.183	S	C	.	.			trans	-105.1	-83.9	175.7	58.5	0	0	0	0	111.3	A69	T66-A69 VanDerWaalsContact O-CB 3.3Å; T66-A69 WeakPolarHBondContact O-CB 3.49Å; T66-A69 PolarHBondContact O-N 3.3Å
67	D	89.3	Confident	94.2	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.07	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-12.9	-162.1	-56.6	-82.7	0	0	0	113.6	A69 R354 A355 H358	D67-A69 VanDerWaalsContact C-N 3.3Å; D67-R354 HydrophobicContact CB-CG 4.09Å; D67-R354 IonicContact OD1-CZ 3.68Å; D67-R354 IonicContact OD1-NE 3.98Å; D67-R354 PolarHBondContact OD1-NE 2.73Å; D67-R354 IonicContact OD1-NH2 2.71Å; D67-R354 PolarHBondContact OD1-NH2 3.35Å; D67-A355 HydrophobicContact CB-CB 4.14Å; D67-H358 WeakPolarHBondContact OD2-CB 3.32Å; D67-H358 IonicContact OD2-CD2 3.72Å; D67-H358 IonicContact OD2-CE1 2.69Å; D67-H358 IonicContact OD2-CG 3.86Å; D67-H358 VanDerWaalsContact OD2-CG 3.24Å; D67-H358 IonicContact OD2-ND1 2.65Å; D67-H358 PolarHBondContact OD2-ND1 2.8Å; D67-H358 VanDerWaalsContact OD2-ND1 3.11Å
68	E	93.9	Very high	93.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.3	172.3	-64.9	-174	128.8	0	0	112.5	I65 S70 Y71 L117 Q118 L119 T122 A355	I65-E68 HydrophobicContact CG2-CB 4.36Å; E68-S70 PolarHBondContact O-N 2.94Å; E68-S70 VanDerWaalsContact O-N 3.14Å; E68-Y71 HydrophobicContact CB-CD2 3.77Å; E68-Y71 HydrophobicContact CB-CE2 3.79Å; E68-Y71 HydrophobicContact CG-CD2 4.33Å; E68-Y71 HydrophobicContact CG-CE2 3.82Å; E68-Y71 WeakPolarHBondContact O-CD2 3.24Å; E68-Y71 PolarHBondContact O-N 3.09Å; E68-Y71 VanDerWaalsContact O-N 3.11Å; E68-L117 WeakPolarHBondContact OE1-CA 3.45Å; E68-Q118 PolarHBondContact OE1-N 2.96Å; E68-L119 HydrophobicContact CB-CD1 4.5Å; E68-L119 HydrophobicContact CG-CD1 4.38Å; E68-L119 HydrophobicContact CG-CG 4.48Å; E68-L119 VanDerWaalsContact OE2-CB 3.25Å; E68-L119 WeakPolarHBondContact OE2-CB 3.39Å; E68-L119 VanDerWaalsContact OE2-CG 3.29Å; E68-L119 WeakPolarHBondContact OE2-CG 3.47Å; E68-L119 PolarHBondContact OE2-N 2.88Å; E68-T122 HydrophobicContact CB-CG2 3.89Å; E68-T122 WeakPolarHBondContact CB-OG1 3.45Å; E68-T122 WeakPolarHBondContact OE2-CB 3.49Å; E68-T122 WeakPolarHBondContact OE2-CG2 3.36Å; E68-T122 PolarHBondContact OE2-OG1 3.35Å; E68-A355 HydrophobicContact CG-CB 3.66Å
69	A	93.8	Very high	92.9	Very high	11 Å²	11	34.3 Å²	34.3	9%	0.091	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-55.2	-31.3	-179.8	0	0	0	0	0	113.7	C60 I65 T66 D67 Y71 F72	C60-A69 HydrophobicContact CB-CB 4.11Å; I65-A69 HydrophobicContact CG2-CB 4.39Å; T66-A69 VanDerWaalsContact O-CB 3.3Å; T66-A69 WeakPolarHBondContact O-CB 3.49Å; T66-A69 PolarHBondContact O-N 3.3Å; D67-A69 VanDerWaalsContact C-N 3.3Å; A69-Y71 PolarHBondContact O-N 3.46Å; A69-F72 PolarHBondContact O-N 2.83Å; A69-F72 VanDerWaalsContact O-N 3.07Å
70	S	93.7	Very high	92.2	Very high	31 Å²	31	40.4 Å²	40.4	22%	0.217	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-64.4	-15.8	179	-56	0	0	0	0	114.6	E68 F72 Y110 Y346	E68-S70 PolarHBondContact O-N 2.94Å; E68-S70 VanDerWaalsContact O-N 3.14Å; S70-F72 PolarHBondContact O-N 2.73Å; S70-Y110 WeakPolarHBondContact O-CD2 3.27Å; S70-Y346 WeakPolarHBondContact OG-CD2 3.42Å
71	Y	96.4	Very high	91.4	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-74.4	-9.5	172.5	-59.4	-42.2	0	0	0	113.2	E68 A69 V108 K109 Y110 V112 L117 T122 F126 F310 F348 V351	E68-Y71 HydrophobicContact CB-CD2 3.77Å; E68-Y71 HydrophobicContact CB-CE2 3.79Å; E68-Y71 HydrophobicContact CG-CD2 4.33Å; E68-Y71 HydrophobicContact CG-CE2 3.82Å; E68-Y71 WeakPolarHBondContact O-CD2 3.24Å; E68-Y71 PolarHBondContact O-N 3.09Å; E68-Y71 VanDerWaalsContact O-N 3.11Å; A69-Y71 PolarHBondContact O-N 3.46Å; Y71-V108 CarbonylContact O-C 3.58Å; Y71-K109 PolarHBondContact O-N 3.31Å; Y71-Y110 PolarHBondContact O-N 3.03Å; Y71-V112 HydrophobicContact CD1-CG1 3.93Å; Y71-V112 HydrophobicContact CE1-CG1 3.51Å; Y71-V112 HydrophobicContact CE1-CG2 4.5Å; Y71-V112 HydrophobicContact CE2-CG2 4.34Å; Y71-L117 HydrophobicContact CD2-CD2 4.25Å; Y71-L117 HydrophobicContact CE2-CD2 4.04Å; Y71-T122 HydrophobicContact CD2-CG2 4.07Å; Y71-F126 HydrophobicContact CD2-CE2 4.33Å; Y71-F126 HydrophobicContact CD2-CZ 4.36Å; Y71-F126 HydrophobicContact CG-CZ 4.34Å; Y71-F310 HydrophobicContact CD1-CE1 4.24Å; Y71-F310 AromaticContact CD1-CZ 3.8Å; Y71-F310 HydrophobicContact CD1-CZ 3.8Å; Y71-F310 HydrophobicContact CE1-CE1 4.31Å; Y71-F310 AromaticContact CE1-CZ 3.89Å; Y71-F310 HydrophobicContact CE1-CZ 3.89Å; Y71-F348 HydrophobicContact CE1-CD2 4.28Å; Y71-V351 HydrophobicContact CD1-CG1 4.13Å; Y71-V351 HydrophobicContact CE1-CB 4.15Å; Y71-V351 HydrophobicContact CE1-CG1 3.63Å; Y71-V351 HydrophobicContact CE2-CG1 4.08Å
72	F	97.2	Very high	90.9	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	163.1	-173.9	-58.9	-86.8	0	0	0	112.6	I65 A69 S70 F106 R107 V108 T122 Q125 F126	I65-F72 HydrophobicContact CD1-CE1 4.5Å; I65-F72 HydrophobicContact CD1-CE2 3.79Å; I65-F72 HydrophobicContact CD1-CZ 3.76Å; I65-F72 HydrophobicContact CG2-CE2 4.18Å; A69-F72 PolarHBondContact O-N 2.83Å; A69-F72 VanDerWaalsContact O-N 3.07Å; S70-F72 PolarHBondContact O-N 2.73Å; F72-F106 HydrophobicContact CB-CE1 4.11Å; F72-F106 HydrophobicContact CB-CE2 3.77Å; F72-F106 HydrophobicContact CB-CZ 3.48Å; F72-F106 VanDerWaalsContact CB-CZ 3.48Å; F72-F106 HydrophobicContact CD1-CD1 4.29Å; F72-F106 AromaticContact CD1-CE1 3.4Å; F72-F106 HydrophobicContact CD1-CE1 3.4Å; F72-F106 VanDerWaalsContact CD1-CE1 3.4Å; F72-F106 AromaticContact CD1-CZ 3.6Å; F72-F106 HydrophobicContact CD1-CZ 3.6Å; F72-F106 HydrophobicContact CD2-CZ 4.18Å; F72-F106 AromaticContact CE1-CE1 3.99Å; F72-F106 HydrophobicContact CE1-CE1 3.99Å; F72-F106 HydrophobicContact CE1-CZ 4.39Å; F72-F106 AromaticContact CG-CE1 3.82Å; F72-F106 HydrophobicContact CG-CE1 3.82Å; F72-F106 HydrophobicContact CG-CE2 4.27Å; F72-F106 AromaticContact CG-CZ 3.47Å; F72-F106 HydrophobicContact CG-CZ 3.47Å; F72-F106 VanDerWaalsContact CG-CZ 3.47Å; F72-R107 WeakPolarHBondContact CA-O 3.4Å; F72-V108 HydrophobicContact CD1-CG2 3.97Å; F72-V108 HydrophobicContact CE1-CG2 3.57Å; F72-V108 HydrophobicContact CZ-CG2 4.4Å; F72-T122 HydrophobicContact CE2-CG2 3.95Å; F72-T122 HydrophobicContact CZ-CG2 3.9Å; F72-Q125 HydrophobicContact CE1-CB 3.68Å; F72-Q125 HydrophobicContact CE1-CG 4.48Å; F72-Q125 HydrophobicContact CZ-CB 3.93Å; F72-F126 HydrophobicContact CZ-CD2 4.27Å; F72-F126 HydrophobicContact CZ-CE2 4.18Å
73	G	96	Very high	90.7	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	178.1	174	0	0	0	0	0	112.4	R107	G73-R107 PolarHBondContact N-O 3.04Å; G73-R107 PolarHBondContact O-N 2.97Å
74	I	97.3	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.1	176	-58.4	-59.9	0	0	0	110.3	V34 V55 I56 W85 L86 L104 Y105 F106	V34-I74 HydrophobicContact CG1-CD1 4.13Å; V55-I74 HydrophobicContact CG1-CD1 4.07Å; V55-I74 HydrophobicContact CG1-CG1 4.32Å; I56-I74 HydrophobicContact CD1-CG1 4.43Å; I56-I74 HydrophobicContact CG1-CD1 4.29Å; I56-I74 HydrophobicContact CG1-CG1 3.79Å; I74-W85 WeakPolarHBondContact O-CA 3.27Å; I74-L86 HydrophobicContact CG2-CD1 3.86Å; I74-L86 HydrophobicContact CG2-CG 4.31Å; I74-L86 PolarHBondContact O-N 3.43Å; I74-L104 HydrophobicContact CG2-CB 3.78Å; I74-L104 HydrophobicContact CG2-CD1 4.16Å; I74-L104 HydrophobicContact CG2-CD2 3.88Å; I74-L104 HydrophobicContact CG2-CG 4.15Å; I74-Y105 WeakPolarHBondContact CA-O 3.39Å; I74-F106 HydrophobicContact CD1-CB 4.08Å; I74-F106 HydrophobicContact CD1-CD2 3.95Å
75	L	95.4	Very high	90.6	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.105	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.5	164.1	-66.2	171.6	0	0	0	110.6	L83 F84 W85 Y105 R107	L75-L83 HydrophobicContact CB-CD2 4.45Å; L75-L83 HydrophobicContact CD1-CB 4.4Å; L75-L83 HydrophobicContact CD1-CD1 4.26Å; L75-L83 HydrophobicContact CD2-CB 4.39Å; L75-F84 CarbonylContact C-O 3.59Å; L75-F84 WeakPolarHBondContact CA-O 3.37Å; L75-W85 HydrophobicContact CD1-CH2 4.33Å; L75-W85 HydrophobicContact CD1-CZ2 4.44Å; L75-W85 HydrophobicContact CD2-CB 4.39Å; L75-W85 HydrophobicContact CD2-CD2 3.36Å; L75-W85 HydrophobicContact CD2-CE3 3.61Å; L75-W85 HydrophobicContact CD2-CG 3.73Å; L75-W85 HydrophobicContact CD2-CH2 4.21Å; L75-W85 HydrophobicContact CD2-CZ2 3.98Å; L75-W85 HydrophobicContact CD2-CZ3 4.03Å; L75-W85 HydrophobicContact CG-CD2 4.08Å; L75-W85 HydrophobicContact CG-CE3 3.83Å; L75-W85 HydrophobicContact CG-CH2 4.01Å; L75-W85 HydrophobicContact CG-CZ2 4.24Å; L75-W85 HydrophobicContact CG-CZ3 3.79Å; L75-Y105 PolarHBondContact N-O 2.95Å; L75-Y105 PolarHBondContact O-N 2.96Å; L75-R107 HydrophobicContact CD1-CB 4.36Å; L75-R107 HydrophobicContact CD1-CG 3.94Å
76	L	93.7	Very high	90.7	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.073	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.6	164.5	179.6	74.2	0	0	0	109.2	F84 L86 I96 L104	L76-F84 PolarHBondContact N-O 2.96Å; L76-F84 PolarHBondContact O-N 3.3Å; L76-L86 HydrophobicContact CB-CD1 4.41Å; L76-L86 HydrophobicContact CB-CD2 3.76Å; L76-L86 HydrophobicContact CB-CG 4.05Å; L76-L86 HydrophobicContact CD2-CD2 4.13Å; L76-I96 HydrophobicContact CD1-CG1 4.4Å; L76-I96 HydrophobicContact CD1-CG2 4.06Å; L76-I96 HydrophobicContact CD2-CG1 4.23Å; L76-I96 HydrophobicContact CD2-CG2 4.28Å; L76-L104 HydrophobicContact CD1-CD2 4.13Å
77	A	89.7	Confident	91	Very high	37 Å²	37	33.8 Å²	33.8	31%	0.306	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.4	169.3	0	0	0	0	0	110.8	L83 Y105	A77-L83 HydrophobicContact CB-CD2 4.07Å; A77-Y105 HydrophobicContact CB-CE2 3.98Å
78	G	83.3	Confident	91.2	Very high	14 Å²	14	33.5 Å²	33.5	14%	0.144	19%	0.194	C	C	.	.			trans	-79.5	171.7	170.4	0	0	0	0	0	112.8	K80 N81 E82	G78-K80 PolarHBondContact O-N 3.26Å; G78-N81 WeakPolarHBondContact O-CA 3.41Å; G78-N81 PolarHBondContact O-N 3.32Å; G78-E82 PolarHBondContact N-O 2.92Å
79	S	81.3	Confident	91.1	Very high	133 Å²	133	35.1 Å²	35.1	93%	0.93	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.8	-176.2	52.7	0	0	0	0	115.8
80	K	81.6	Confident	91	Very high	128 Å²	128	35 Å²	35	56%	0.557	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	10.8	173.9	-68.1	175.1	175.1	-179.1	0	113.6	G78 E82	G78-K80 PolarHBondContact O-N 3.26Å; K80-E82 HydrophobicContact CB-CG 3.88Å; K80-E82 HydrophobicContact CD-CG 4.42Å; K80-E82 WeakPolarHBondContact CD-OE1 3.42Å; K80-E82 IonicContact NZ-OE1 3.52Å; K80-E82 PolarHBondContact O-N 3.11Å
81	N	80.7	Confident	90.8	Very high	140 Å²	140	36.1 Å²	36.1	75%	0.749	20%	0.197	S	C	*	.	S	Bend	trans	61.6	11.8	-164.2	-53.4	-40.3	0	0	0	114.5	G78 L83	G78-N81 WeakPolarHBondContact O-CA 3.41Å; G78-N81 PolarHBondContact O-N 3.32Å; N81-L83 PolarHBondContact O-N 2.64Å
82	E	84.8	Confident	90.6	Very high	46 Å²	46	36.1 Å²	36.1	22%	0.215	20%	0.197	C	C	.	.			trans	-60.8	121.9	167.5	-69.2	167.5	172	0	0	109	G78 K80 F84 S292 L296	G78-E82 PolarHBondContact N-O 2.92Å; K80-E82 HydrophobicContact CB-CG 3.88Å; K80-E82 HydrophobicContact CD-CG 4.42Å; K80-E82 WeakPolarHBondContact CD-OE1 3.42Å; K80-E82 IonicContact NZ-OE1 3.52Å; K80-E82 PolarHBondContact O-N 3.11Å; E82-F84 HydrophobicContact CB-CE2 3.55Å; E82-F84 HydrophobicContact CB-CZ 3.68Å; E82-F84 WeakPolarHBondContact O-CD2 3.39Å; E82-F84 WeakPolarHBondContact O-CE2 3.36Å; E82-S292 PolarHBondContact OE1-OG 2.9Å; E82-L296 HydrophobicContact CG-CD1 4.34Å
83	L	89.2	Confident	90.2	Very high	82 Å²	82	37.3 Å²	37.3	43%	0.429	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.1	-180	-68.6	169.5	0	0	0	110.9	L75 A77 N81	L75-L83 HydrophobicContact CB-CD2 4.45Å; L75-L83 HydrophobicContact CD1-CB 4.4Å; L75-L83 HydrophobicContact CD1-CD1 4.26Å; L75-L83 HydrophobicContact CD2-CB 4.39Å; A77-L83 HydrophobicContact CB-CD2 4.07Å; N81-L83 PolarHBondContact O-N 2.64Å
84	F	90.5	Very high	89.8	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.4	-179.7	-58.8	-84.7	0	0	0	111	L75 L76 E82 L86 R295 L296	L75-F84 CarbonylContact C-O 3.59Å; L75-F84 WeakPolarHBondContact CA-O 3.37Å; L76-F84 PolarHBondContact N-O 2.96Å; L76-F84 PolarHBondContact O-N 3.3Å; E82-F84 HydrophobicContact CB-CE2 3.55Å; E82-F84 HydrophobicContact CB-CZ 3.68Å; E82-F84 WeakPolarHBondContact O-CD2 3.39Å; E82-F84 WeakPolarHBondContact O-CE2 3.36Å; F84-L86 PolarHBondContact O-N 2.92Å; F84-R295 HydrophobicContact CD1-CG 3.97Å; F84-R295 HydrophobicContact CE1-CB 4.2Å; F84-R295 HydrophobicContact CE1-CG 3.56Å; F84-R295 HydrophobicContact CZ-CB 4.45Å; F84-R295 HydrophobicContact CZ-CG 3.96Å; F84-L296 HydrophobicContact CE1-CD2 3.63Å; F84-L296 HydrophobicContact CE1-CG 3.94Å; F84-L296 HydrophobicContact CZ-CD2 4Å; F84-L296 HydrophobicContact CZ-CG 4.14Å
85	W	94.9	Very high	89.4	Confident	14 Å²	14	43.8 Å²	43.8	5%	0.053	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.2	167.1	-65.4	108.9	0	0	0	109.7	I74 L75 R107 V108 K109 Y224 R302	I74-W85 WeakPolarHBondContact O-CA 3.27Å; L75-W85 HydrophobicContact CD1-CH2 4.33Å; L75-W85 HydrophobicContact CD1-CZ2 4.44Å; L75-W85 HydrophobicContact CD2-CB 4.39Å; L75-W85 HydrophobicContact CD2-CD2 3.36Å; L75-W85 HydrophobicContact CD2-CE3 3.61Å; L75-W85 HydrophobicContact CD2-CG 3.73Å; L75-W85 HydrophobicContact CD2-CH2 4.21Å; L75-W85 HydrophobicContact CD2-CZ2 3.98Å; L75-W85 HydrophobicContact CD2-CZ3 4.03Å; L75-W85 HydrophobicContact CG-CD2 4.08Å; L75-W85 HydrophobicContact CG-CE3 3.83Å; L75-W85 HydrophobicContact CG-CH2 4.01Å; L75-W85 HydrophobicContact CG-CZ2 4.24Å; L75-W85 HydrophobicContact CG-CZ3 3.79Å; W85-R107 HydrophobicContact CH2-CB 3.78Å; W85-R107 HydrophobicContact CZ3-CB 4.23Å; W85-V108 WeakPolarHBondContact CH2-O 3.28Å; W85-K109 HydrophobicContact CD2-CD 4.26Å; W85-K109 HydrophobicContact CD2-CG 4.02Å; W85-K109 HydrophobicContact CE3-CB 4.36Å; W85-K109 HydrophobicContact CE3-CD 4.25Å; W85-K109 HydrophobicContact CE3-CG 4.11Å; W85-K109 HydrophobicContact CH2-CB 3.8Å; W85-K109 HydrophobicContact CH2-CG 4.12Å; W85-K109 HydrophobicContact CZ2-CB 4.13Å; W85-K109 HydrophobicContact CZ2-CG 4.02Å; W85-K109 HydrophobicContact CZ3-CB 3.93Å; W85-K109 HydrophobicContact CZ3-CG 4.16Å; W85-Y224 AromaticContact CZ2-CE1 3.73Å; W85-Y224 HydrophobicContact CZ2-CE1 3.73Å; W85-Y224 AromaticContact CZ2-CZ 3.8Å; W85-Y224 VanDerWaalsContact CZ2-OH 3.32Å; W85-Y224 WeakPolarHBondContact CZ2-OH 3.47Å; W85-Y224 AromaticContact NE1-CE1 3.69Å; W85-Y224 AromaticContact NE1-CZ 3.92Å; W85-R302 VanDerWaalsContact O-CZ 3.29Å; W85-R302 PolarHBondContact O-NH1 3.39Å; W85-R302 PolarHBondContact O-NH2 3.31Å
86	L	94.3	Very high	89	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-73.1	139.6	166.6	-64.1	-173.8	0	0	0	108.7	C52 I74 L76 F84 S88 L92 Q95 I96 L104	C52-L86 HydrophobicContact CB-CB 4.36Å; I74-L86 HydrophobicContact CG2-CD1 3.86Å; I74-L86 HydrophobicContact CG2-CG 4.31Å; I74-L86 PolarHBondContact O-N 3.43Å; L76-L86 HydrophobicContact CB-CD1 4.41Å; L76-L86 HydrophobicContact CB-CD2 3.76Å; L76-L86 HydrophobicContact CB-CG 4.05Å; L76-L86 HydrophobicContact CD2-CD2 4.13Å; F84-L86 PolarHBondContact O-N 2.92Å; L86-S88 PolarHBondContact O-N 3.17Å; L86-L92 HydrophobicContact CD1-CD2 3.99Å; L86-Q95 HydrophobicContact CD2-CB 4.09Å; L86-I96 HydrophobicContact CD1-CD1 3.92Å; L86-I96 HydrophobicContact CD1-CG1 4.04Å; L86-I96 HydrophobicContact CD2-CG1 4.33Å; L86-L104 HydrophobicContact CD1-CD2 3.81Å
87	N	93.5	Very high	88.5	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-70.6	124.9	175.5	173.8	-66.7	0	0	0	109.4	C52 R89 N90 Q95 Y340 F342 D343	C52-N87 WeakPolarHBondContact CB-O 3.23Å; N87-R89 VanDerWaalsContact C-N 3.29Å; N87-R89 PolarHBondContact O-N 3.38Å; N87-R89 WeakPolarHBondContact OD1-CA 3.39Å; N87-R89 WeakPolarHBondContact OD1-CB 3.4Å; N87-R89 PolarHBondContact OD1-N 2.82Å; N87-N90 HydrophobicContact CB-CB 4.1Å; N87-N90 VanDerWaalsContact CG-ND2 3.27Å; N87-N90 PolarHBondContact O-N 3.18Å; N87-N90 WeakPolarHBondContact OD1-CB 3.23Å; N87-N90 PolarHBondContact OD1-N 3.11Å; N87-N90 PolarHBondContact OD1-ND2 2.99Å; N87-Q95 PolarHBondContact O-NE2 3.28Å; N87-Y340 PolarHBondContact ND2-O 3.06Å; N87-F342 PolarHBondContact ND2-O 3.31Å; N87-D343 VanDerWaalsContact C-OD1 3.24Å; N87-D343 WeakPolarHBondContact CA-OD1 3.48Å; N87-D343 VanDerWaalsContact CB-OD1 3.31Å; N87-D343 WeakPolarHBondContact CB-OD1 3.46Å; N87-D343 PolarHBondContact ND2-OD1 3.41Å; N87-D343 PolarHBondContact OD1-OD1 2.81Å
88	S	93.5	Very high	88.2	Confident	8 Å²	8	48.4 Å²	48.4	6%	0.056	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.2	-174	69.2	0	0	0	0	112.7	D51 C52 Q53 L86 D343	D51-S88 WeakPolarHBondContact CB-O 3.35Å; C52-S88 PolarHBondContact N-O 3.06Å; Q53-S88 WeakPolarHBondContact CB-O 3.31Å; Q53-S88 PolarHBondContact N-O 3.17Å; Q53-S88 PolarHBondContact OE1-OG 3.27Å; L86-S88 PolarHBondContact O-N 3.17Å; S88-D343 PolarHBondContact N-OD1 2.92Å
89	R	91.5	Very high	88.4	Confident	33 Å²	33	53.1 Å²	53.1	13%	0.125	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.9	-175.3	-59	173.9	63	-169.4	-11.4	113.7	N87 I321 Y340 L344 R345	N87-R89 VanDerWaalsContact C-N 3.29Å; N87-R89 PolarHBondContact O-N 3.38Å; N87-R89 WeakPolarHBondContact OD1-CA 3.39Å; N87-R89 WeakPolarHBondContact OD1-CB 3.4Å; N87-R89 PolarHBondContact OD1-N 2.82Å; R89-I321 PolarHBondContact NH1-O 3.26Å; R89-I321 PolarHBondContact NH2-O 2.9Å; R89-Y340 HydrophobicContact CB-CD2 3.68Å; R89-Y340 HydrophobicContact CB-CE2 4.39Å; R89-Y340 HydrophobicContact CB-CG 4.18Å; R89-L344 PolarHBondContact NH1-O 2.8Å; R89-R345 HydrophobicContact CG-CG 4.4Å
90	N	91.5	Very high	88.7	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.048	27%	0.27	C	S	.	.	S	Bend	trans	-105	144.1	-177.2	-70.3	-18.9	0	0	0	112.1	C52 N87 L92 Q95 E339 Y340	C52-N90 PolarHBondContact N-O 2.85Å; N87-N90 HydrophobicContact CB-CB 4.1Å; N87-N90 VanDerWaalsContact CG-ND2 3.27Å; N87-N90 PolarHBondContact O-N 3.18Å; N87-N90 WeakPolarHBondContact OD1-CB 3.23Å; N87-N90 PolarHBondContact OD1-N 3.11Å; N87-N90 PolarHBondContact OD1-ND2 2.99Å; N90-L92 PolarHBondContact O-N 2.92Å; N90-Q95 HydrophobicContact CB-CG 4.16Å; N90-Q95 PolarHBondContact O-NE2 3.38Å; N90-E339 VanDerWaalsContact ND2-CG 3.31Å; N90-E339 WeakPolarHBondContact ND2-CG 3.37Å; N90-Y340 PolarHBondContact ND2-O 3.31Å; N90-Y340 PolarHBondContact OD1-N 3.46Å
91	R	91.2	Very high	89.1	Confident	55 Å²	55	46.4 Å²	46.4	21%	0.208	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-56.8	129.9	-179.7	-56.9	-168.6	-163.9	156.7	6.7	111.7	K49 A50 S93 R94 D334 N336	K49-R91 WeakPolarHBondContact O-CG 3.39Å; A50-R91 VanDerWaalsContact O-CA 3.29Å; A50-R91 WeakPolarHBondContact O-CA 3.29Å; R91-S93 VanDerWaalsContact C-N 3.32Å; R91-S93 PolarHBondContact O-N 3.04Å; R91-R94 HydrophobicContact CB-CG 4.3Å; R91-R94 PolarHBondContact O-N 2.99Å; R91-R94 VanDerWaalsContact O-N 3.09Å; R91-D334 IonicContact CZ-OD1 3.18Å; R91-D334 IonicContact CZ-OD2 2.78Å; R91-D334 IonicContact NH1-OD1 2.74Å; R91-D334 IonicContact NH1-OD2 3.24Å; R91-D334 PolarHBondContact NH1-OD2 3.39Å; R91-D334 IonicContact NH2-OD1 2.72Å; R91-D334 PolarHBondContact NH2-OD1 3.49Å; R91-D334 IonicContact NH2-OD2 3.98Å; R91-N336 PolarHBondContact NH2-O 3.36Å
92	L	90.5	Very high	89.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.1	-45.9	-178.6	-76.4	155.1	0	0	0	112.4	V46 A50 D51 C52 V55 L86 N90 R94 Q95 I96 L104	V46-L92 HydrophobicContact CG2-CD1 4.02Å; A50-L92 HydrophobicContact CB-CD1 4.39Å; A50-L92 PolarHBondContact O-N 3.31Å; D51-L92 WeakPolarHBondContact O-CD1 3.4Å; C52-L92 HydrophobicContact CB-CD2 3.73Å; C52-L92 HydrophobicContact CB-CG 4.08Å; V55-L92 HydrophobicContact CB-CD1 4.49Å; V55-L92 HydrophobicContact CG2-CD1 3.5Å; V55-L92 VanDerWaalsContact CG2-CD1 3.5Å; L86-L92 HydrophobicContact CD1-CD2 3.99Å; N90-L92 PolarHBondContact O-N 2.92Å; L92-R94 PolarHBondContact O-N 3.01Å; L92-R94 VanDerWaalsContact O-N 3.14Å; L92-Q95 PolarHBondContact O-N 2.9Å; L92-I96 HydrophobicContact CB-CD1 4.4Å; L92-I96 HydrophobicContact CD2-CD1 4.02Å; L92-I96 PolarHBondContact O-N 3.03Å; L92-L104 HydrophobicContact CD2-CD1 4.45Å
93	S	89.2	Confident	90	Very high	32 Å²	32	43 Å²	43	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-14	179	44.8	0	0	0	0	115	H48 R91	H48-S93 PolarHBondContact O-OG 3.41Å; R91-S93 VanDerWaalsContact C-N 3.32Å; R91-S93 PolarHBondContact O-N 3.04Å
94	R	87.3	Confident	90.3	Very high	105 Å²	105	39 Å²	39	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-95.1	-22.8	173.1	-69	-176.5	175.2	-174.4	-2	113.5	R91 L92 D334 G337	R91-R94 HydrophobicContact CB-CG 4.3Å; R91-R94 PolarHBondContact O-N 2.99Å; R91-R94 VanDerWaalsContact O-N 3.09Å; L92-R94 PolarHBondContact O-N 3.01Å; L92-R94 VanDerWaalsContact O-N 3.14Å; R94-D334 IonicContact CZ-OD2 3.88Å; R94-D334 IonicContact NH2-OD2 3.9Å; R94-D334 PolarHBondContact NH2-OD2 2.69Å; R94-G337 PolarHBondContact NH1-O 2.76Å
95	Q	88.8	Confident	90.6	Very high	35 Å²	35	41.7 Å²	41.7	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-96.1	-24.1	-173.6	-62.3	-172.2	77.4	0	0	114	L86 N87 N90 L92	L86-Q95 HydrophobicContact CD2-CB 4.09Å; N87-Q95 PolarHBondContact O-NE2 3.28Å; N90-Q95 HydrophobicContact CB-CG 4.16Å; N90-Q95 PolarHBondContact O-NE2 3.38Å; L92-Q95 PolarHBondContact O-N 2.9Å
96	I	88.2	Confident	90.7	Very high	14 Å²	14	41 Å²	41	7%	0.072	23%	0.229	C	C	.	.	S	Bend	trans	-105.3	120.7	-174.4	-54.6	166.4	0	0	0	108.6	L76 L86 L92 Y102 L104	L76-I96 HydrophobicContact CD1-CG1 4.4Å; L76-I96 HydrophobicContact CD1-CG2 4.06Å; L76-I96 HydrophobicContact CD2-CG1 4.23Å; L76-I96 HydrophobicContact CD2-CG2 4.28Å; L86-I96 HydrophobicContact CD1-CD1 3.92Å; L86-I96 HydrophobicContact CD1-CG1 4.04Å; L86-I96 HydrophobicContact CD2-CG1 4.33Å; L92-I96 HydrophobicContact CB-CD1 4.4Å; L92-I96 HydrophobicContact CD2-CD1 4.02Å; L92-I96 PolarHBondContact O-N 3.03Å; I96-Y102 HydrophobicContact CB-CD1 4.27Å; I96-Y102 HydrophobicContact CB-CE1 4.16Å; I96-Y102 HydrophobicContact CD1-CD1 4.26Å; I96-Y102 HydrophobicContact CD1-CD2 3.55Å; I96-Y102 HydrophobicContact CD1-CE2 3.99Å; I96-Y102 HydrophobicContact CD1-CG 3.7Å; I96-Y102 HydrophobicContact CG2-CD1 3.58Å; I96-Y102 HydrophobicContact CG2-CE1 3.78Å; I96-Y102 HydrophobicContact CG2-CG 4.11Å; I96-L104 HydrophobicContact CD1-CD2 3.95Å
97	P	82.5	Confident	90.9	Very high	103 Å²	103	41.4 Å²	41.4	67%	0.669	23%	0.23	S	C	*	.			trans	-77.7	134.1	177.1	30.9	-33.3	0	0	0	111.3
98	G	84.9	Confident	91	Very high	51 Å²	51	41.3 Å²	41.3	53%	0.526	23%	0.229	S	C	.	.	S	Bend	trans	100.8	174.2	177.5	0	0	0	0	0	113.8
99	P	87.3	Confident	91.1	Very high	112 Å²	112	41.4 Å²	41.4	73%	0.727	23%	0.229	S	C	*	.	S	Bend	trans	-77.8	160.3	179.4	33.1	-35.7	0	0	0	112.3
100	P	86.1	Confident	91.4	Very high	58 Å²	58	40.4 Å²	40.4	38%	0.377	23%	0.225	S	C	.	.	S	Bend	trans	-63.6	161	166	30.8	-38	0	0	0	111.7	L30 Y102	L30-P100 HydrophobicContact CD2-CB 4.11Å; L30-P100 HydrophobicContact CD2-CG 3.85Å; P100-Y102 HydrophobicContact CB-CE1 4.37Å
101	P	90.6	Very high	91.6	Very high	63 Å²	63	40.4 Å²	40.4	41%	0.409	23%	0.225	S	C	.	.	P	Polyproline II helix	cis	-77.4	142.8	5.2	31.4	-35.7	0	0	0	113.7	M31 Y33	M31-P101 HydrophobicContact CB-CB 4.23Å; M31-P101 HydrophobicContact CG-CB 4.5Å; M31-P101 CarbonylContact O-C 3.52Å; M31-P101 WeakPolarHBondContact O-CA 3.35Å; Y33-P101 HydrophobicContact CD2-CB 3.85Å; Y33-P101 HydrophobicContact CD2-CG 4.26Å; Y33-P101 HydrophobicContact CE2-CB 3.67Å; Y33-P101 HydrophobicContact CE2-CG 3.87Å
102	Y	91.8	Very high	91.9	Very high	14 Å²	14	38 Å²	38	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.7	179.3	-58.1	-39.8	0	0	0	111.8	L30 M31 C32 Y33 I96 P100	L30-Y102 HydrophobicContact CD1-CE2 4.11Å; L30-Y102 HydrophobicContact CD2-CE2 3.97Å; L30-Y102 HydrophobicContact CG-CE2 4.43Å; M31-Y102 PolarHBondContact O-N 3.21Å; C32-Y102 CarbonylContact C-O 3.57Å; C32-Y102 WeakPolarHBondContact CA-O 3.44Å; Y33-Y102 PolarHBondContact N-O 3.43Å; I96-Y102 HydrophobicContact CB-CD1 4.27Å; I96-Y102 HydrophobicContact CB-CE1 4.16Å; I96-Y102 HydrophobicContact CD1-CD1 4.26Å; I96-Y102 HydrophobicContact CD1-CD2 3.55Å; I96-Y102 HydrophobicContact CD1-CE2 3.99Å; I96-Y102 HydrophobicContact CD1-CG 3.7Å; I96-Y102 HydrophobicContact CG2-CD1 3.58Å; I96-Y102 HydrophobicContact CG2-CE1 3.78Å; I96-Y102 HydrophobicContact CG2-CG 4.11Å; P100-Y102 HydrophobicContact CB-CE1 4.37Å
103	H	92.3	Very high	92.1	Very high	99 Å²	99	42.1 Å²	42.1	46%	0.458	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.3	174.8	-70	-86.1	0	0	0	110	Y33	Y33-H103 AromaticContact CD2-CE1 3.73Å
104	L	96.3	Very high	92.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.5	-168.7	-61	-178.8	0	0	0	110.6	C32 Y33 V34 T35 V55 I74 L76 L86 L92 I96	C32-L104 HydrophobicContact CB-CD1 3.97Å; Y33-L104 PolarHBondContact O-N 3.5Å; V34-L104 CarbonylContact C-O 3.56Å; V34-L104 WeakPolarHBondContact CA-O 3.34Å; V34-L104 HydrophobicContact CG1-CB 4.4Å; V34-L104 HydrophobicContact CG2-CB 4.31Å; T35-L104 PolarHBondContact N-O 3.07Å; V55-L104 HydrophobicContact CG1-CD1 4.24Å; I74-L104 HydrophobicContact CG2-CB 3.78Å; I74-L104 HydrophobicContact CG2-CD1 4.16Å; I74-L104 HydrophobicContact CG2-CD2 3.88Å; I74-L104 HydrophobicContact CG2-CG 4.15Å; L76-L104 HydrophobicContact CD1-CD2 4.13Å; L86-L104 HydrophobicContact CD1-CD2 3.81Å; L92-L104 HydrophobicContact CD2-CD1 4.45Å; I96-L104 HydrophobicContact CD1-CD2 3.95Å
105	Y	96.2	Very high	92.6	Very high	61 Å²	61	39.4 Å²	39.4	24%	0.239	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.8	179.2	-57	-92.8	0	0	0	110.5	T35 I74 L75 A77	T35-Y105 HydrophobicContact CG2-CD1 4.27Å; T35-Y105 HydrophobicContact CG2-CE1 4.39Å; T35-Y105 WeakPolarHBondContact O-CA 3.46Å; I74-Y105 WeakPolarHBondContact CA-O 3.39Å; L75-Y105 PolarHBondContact N-O 2.95Å; L75-Y105 PolarHBondContact O-N 2.96Å; A77-Y105 HydrophobicContact CB-CE2 3.98Å
106	F	97.7	Very high	92.9	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.5	175.8	-179.3	-88.9	0	0	0	109.5	V34 T35 L36 I56 M59 I63 F72 I74	V34-F106 HydrophobicContact CG1-CB 3.66Å; T35-F106 PolarHBondContact O-N 3.34Å; T35-F106 VanDerWaalsContact O-N 3.14Å; L36-F106 HydrophobicContact CD2-CB 3.96Å; L36-F106 HydrophobicContact CD2-CD1 3.85Å; L36-F106 HydrophobicContact CD2-CG 4.21Å; I56-F106 HydrophobicContact CG2-CE2 4.38Å; M59-F106 HydrophobicContact CB-CD2 3.81Å; M59-F106 HydrophobicContact CB-CE2 3.85Å; M59-F106 HydrophobicContact CE-CB 4.48Å; M59-F106 HydrophobicContact CG-CD2 4.32Å; I63-F106 HydrophobicContact CD1-CD1 4.2Å; I63-F106 HydrophobicContact CD1-CE1 3.79Å; I63-F106 HydrophobicContact CD1-CZ 4.19Å; F72-F106 HydrophobicContact CB-CE1 4.11Å; F72-F106 HydrophobicContact CB-CE2 3.77Å; F72-F106 HydrophobicContact CB-CZ 3.48Å; F72-F106 VanDerWaalsContact CB-CZ 3.48Å; F72-F106 HydrophobicContact CD1-CD1 4.29Å; F72-F106 AromaticContact CD1-CE1 3.4Å; F72-F106 HydrophobicContact CD1-CE1 3.4Å; F72-F106 VanDerWaalsContact CD1-CE1 3.4Å; F72-F106 AromaticContact CD1-CZ 3.6Å; F72-F106 HydrophobicContact CD1-CZ 3.6Å; F72-F106 HydrophobicContact CD2-CZ 4.18Å; F72-F106 AromaticContact CE1-CE1 3.99Å; F72-F106 HydrophobicContact CE1-CE1 3.99Å; F72-F106 HydrophobicContact CE1-CZ 4.39Å; F72-F106 AromaticContact CG-CE1 3.82Å; F72-F106 HydrophobicContact CG-CE1 3.82Å; F72-F106 HydrophobicContact CG-CE2 4.27Å; F72-F106 AromaticContact CG-CZ 3.47Å; F72-F106 HydrophobicContact CG-CZ 3.47Å; F72-F106 VanDerWaalsContact CG-CZ 3.47Å; I74-F106 HydrophobicContact CD1-CB 4.08Å; I74-F106 HydrophobicContact CD1-CD2 3.95Å
107	R	97.2	Very high	93.2	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.045	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.3	-175.1	-68.3	-64.3	179.1	-80.5	7.4	110.7	T35 L36 F72 G73 L75 W85 K109 N129	T35-R107 PolarHBondContact O-NH1 2.94Å; L36-R107 PolarHBondContact O-NH1 2.81Å; L36-R107 PolarHBondContact O-NH2 3.03Å; F72-R107 WeakPolarHBondContact CA-O 3.4Å; G73-R107 PolarHBondContact N-O 3.04Å; G73-R107 PolarHBondContact O-N 2.97Å; L75-R107 HydrophobicContact CD1-CB 4.36Å; L75-R107 HydrophobicContact CD1-CG 3.94Å; W85-R107 HydrophobicContact CH2-CB 3.78Å; W85-R107 HydrophobicContact CZ3-CB 4.23Å; R107-K109 PolarHBondContact O-N 3.22Å; R107-N129 VanDerWaalsContact CA-OD1 3.32Å; R107-N129 WeakPolarHBondContact CA-OD1 3.11Å; R107-N129 WeakPolarHBondContact CD-OD1 3.42Å
108	V	97.3	Very high	93.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	123.1	166.7	175.3	0	0	0	0	108	Y71 F72 W85 F111 F126 N129 Y224	Y71-V108 CarbonylContact O-C 3.58Å; F72-V108 HydrophobicContact CD1-CG2 3.97Å; F72-V108 HydrophobicContact CE1-CG2 3.57Å; F72-V108 HydrophobicContact CZ-CG2 4.4Å; W85-V108 WeakPolarHBondContact CH2-O 3.28Å; V108-F111 HydrophobicContact CB-CD2 4.29Å; V108-F111 HydrophobicContact CB-CE1 4.14Å; V108-F111 HydrophobicContact CB-CE2 3.88Å; V108-F111 HydrophobicContact CB-CZ 3.81Å; V108-F111 HydrophobicContact CG1-CD1 3.95Å; V108-F111 HydrophobicContact CG1-CD2 3.65Å; V108-F111 HydrophobicContact CG1-CE1 4.06Å; V108-F111 HydrophobicContact CG1-CE2 3.77Å; V108-F111 HydrophobicContact CG1-CG 3.76Å; V108-F111 HydrophobicContact CG1-CZ 3.98Å; V108-F111 WeakPolarHBondContact O-CE2 3.34Å; V108-F126 HydrophobicContact CB-CE2 4.42Å; V108-F126 HydrophobicContact CG1-CD2 4.31Å; V108-F126 HydrophobicContact CG1-CE1 4.05Å; V108-F126 HydrophobicContact CG1-CE2 3.76Å; V108-F126 HydrophobicContact CG1-CZ 3.62Å; V108-F126 HydrophobicContact CG2-CD2 3.56Å; V108-F126 HydrophobicContact CG2-CE2 3.7Å; V108-F126 HydrophobicContact CG2-CG 4.12Å; V108-F126 HydrophobicContact CG2-CZ 4.36Å; V108-N129 HydrophobicContact CB-CB 4.41Å; V108-N129 HydrophobicContact CG2-CB 4.06Å; V108-N129 PolarHBondContact N-OD1 2.84Å; V108-Y224 PolarHBondContact O-OH 3.06Å
109	K	95.9	Very high	93.9	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.043	19%	0.192	C	C	.	.	S	Bend	trans	-92.7	-35.2	176	-169.8	-179	-178.7	-165.9	0	111.7	Y71 W85 R107 Y224 E306 D343	Y71-K109 PolarHBondContact O-N 3.31Å; W85-K109 HydrophobicContact CD2-CD 4.26Å; W85-K109 HydrophobicContact CD2-CG 4.02Å; W85-K109 HydrophobicContact CE3-CB 4.36Å; W85-K109 HydrophobicContact CE3-CD 4.25Å; W85-K109 HydrophobicContact CE3-CG 4.11Å; W85-K109 HydrophobicContact CH2-CB 3.8Å; W85-K109 HydrophobicContact CH2-CG 4.12Å; W85-K109 HydrophobicContact CZ2-CB 4.13Å; W85-K109 HydrophobicContact CZ2-CG 4.02Å; W85-K109 HydrophobicContact CZ3-CB 3.93Å; W85-K109 HydrophobicContact CZ3-CG 4.16Å; R107-K109 PolarHBondContact O-N 3.22Å; K109-Y224 VanDerWaalsContact C-OH 3.28Å; K109-Y224 WeakPolarHBondContact CA-OH 3.49Å; K109-Y224 PolarHBondContact O-OH 2.75Å; K109-E306 WeakPolarHBondContact CE-OE2 3.43Å; K109-E306 IonicContact NZ-OE1 2.69Å; K109-E306 IonicContact NZ-OE2 3.91Å; K109-E306 PolarHBondContact NZ-OE2 3.32Å; K109-D343 IonicContact NZ-OD2 3.35Å; K109-D343 PolarHBondContact NZ-OD2 2.98Å
110	Y	96.6	Very high	94.2	Very high	12 Å²	12	36 Å²	36	5%	0.047	19%	0.185	C	C	.	.	S	Bend	trans	-125.2	103.4	179.8	-52.8	-59.2	0	0	0	110.5	S70 Y71 V112 F126 V307 F310 F311	S70-Y110 WeakPolarHBondContact O-CD2 3.27Å; Y71-Y110 PolarHBondContact O-N 3.03Å; Y110-V112 PolarHBondContact O-N 3.02Å; Y110-F126 WeakPolarHBondContact O-CZ 3.44Å; Y110-V307 HydrophobicContact CE1-CG2 4.43Å; Y110-F310 VanDerWaalsContact CB-CE1 3.46Å; Y110-F310 HydrophobicContact CD1-CB 4.3Å; Y110-F310 AromaticContact CD1-CD1 3.9Å; Y110-F310 HydrophobicContact CD1-CD1 3.9Å; Y110-F310 HydrophobicContact CD1-CE1 4.44Å; Y110-F310 HydrophobicContact CD1-CG 4.04Å; Y110-F310 AromaticContact CD2-CD1 3.88Å; Y110-F310 HydrophobicContact CD2-CD1 3.88Å; Y110-F310 AromaticContact CD2-CD2 3.74Å; Y110-F310 HydrophobicContact CD2-CD2 3.74Å; Y110-F310 AromaticContact CD2-CE1 3.79Å; Y110-F310 HydrophobicContact CD2-CE1 3.79Å; Y110-F310 AromaticContact CD2-CE2 3.67Å; Y110-F310 HydrophobicContact CD2-CE2 3.67Å; Y110-F310 AromaticContact CD2-CG 3.85Å; Y110-F310 HydrophobicContact CD2-CG 3.85Å; Y110-F310 AromaticContact CD2-CZ 3.69Å; Y110-F310 HydrophobicContact CD2-CZ 3.69Å; Y110-F310 HydrophobicContact CE1-CB 4.1Å; Y110-F310 HydrophobicContact CE1-CD1 4.48Å; Y110-F310 HydrophobicContact CE1-CG 4.16Å; Y110-F310 HydrophobicContact CE2-CD1 4.45Å; Y110-F310 AromaticContact CE2-CD2 3.68Å; Y110-F310 HydrophobicContact CE2-CD2 3.68Å; Y110-F310 AromaticContact CE2-CE2 3.93Å; Y110-F310 HydrophobicContact CE2-CE2 3.93Å; Y110-F310 AromaticContact CE2-CG 3.97Å; Y110-F310 HydrophobicContact CE2-CG 3.97Å; Y110-F310 HydrophobicContact CE2-CZ 4.41Å; Y110-F310 AromaticContact CG-CD1 3.57Å; Y110-F310 HydrophobicContact CG-CD1 3.57Å; Y110-F310 HydrophobicContact CG-CD2 4.26Å; Y110-F310 AromaticContact CG-CE1 3.66Å; Y110-F310 HydrophobicContact CG-CE1 3.66Å; Y110-F310 HydrophobicContact CG-CE2 4.35Å; Y110-F310 AromaticContact CG-CG 3.89Å; Y110-F310 HydrophobicContact CG-CG 3.89Å; Y110-F310 HydrophobicContact CG-CZ 4.06Å; Y110-F311 HydrophobicContact CD1-CE2 4.11Å; Y110-F311 HydrophobicContact CG-CE2 4.47Å
111	F	96.3	Very high	94.6	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.044	18%	0.179	C	C	.	.			trans	-81	97.9	179.8	-75.2	-98.8	0	0	0	110.7	V108 F126 N129 V130 W139 Y221	V108-F111 HydrophobicContact CB-CD2 4.29Å; V108-F111 HydrophobicContact CB-CE1 4.14Å; V108-F111 HydrophobicContact CB-CE2 3.88Å; V108-F111 HydrophobicContact CB-CZ 3.81Å; V108-F111 HydrophobicContact CG1-CD1 3.95Å; V108-F111 HydrophobicContact CG1-CD2 3.65Å; V108-F111 HydrophobicContact CG1-CE1 4.06Å; V108-F111 HydrophobicContact CG1-CE2 3.77Å; V108-F111 HydrophobicContact CG1-CG 3.76Å; V108-F111 HydrophobicContact CG1-CZ 3.98Å; V108-F111 WeakPolarHBondContact O-CE2 3.34Å; F111-F126 HydrophobicContact CD1-CD1 4.34Å; F111-F126 HydrophobicContact CD1-CE1 4.4Å; F111-N129 HydrophobicContact CE1-CB 4.3Å; F111-N129 HydrophobicContact CZ-CB 4.14Å; F111-V130 HydrophobicContact CE1-CG2 4.14Å; F111-W139 HydrophobicContact CD1-CH2 4.38Å; F111-W139 AromaticContact CE1-CH2 3.92Å; F111-W139 HydrophobicContact CE1-CH2 3.92Å; F111-W139 HydrophobicContact CZ-CH2 4.2Å; F111-W139 HydrophobicContact CZ-CZ2 4.4Å; F111-Y221 HydrophobicContact CB-CD1 4.39Å; F111-Y221 HydrophobicContact CB-CE1 3.88Å; F111-Y221 HydrophobicContact CB-CE2 4.48Å; F111-Y221 HydrophobicContact CD1-CD2 4.33Å; F111-Y221 AromaticContact CD1-CE2 3.72Å; F111-Y221 HydrophobicContact CD1-CE2 3.72Å; F111-Y221 AromaticContact CD1-CZ 3.88Å; F111-Y221 HydrophobicContact CE1-CE2 4.46Å
112	V	96.1	Very high	94.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	16%	0.159	C	C	.	.			trans	-80.1	167.3	170.1	-53.8	0	0	0	0	111.8	Y71 Y110 I116 L117 F126 Y221 F311 F348	Y71-V112 HydrophobicContact CD1-CG1 3.93Å; Y71-V112 HydrophobicContact CE1-CG1 3.51Å; Y71-V112 HydrophobicContact CE1-CG2 4.5Å; Y71-V112 HydrophobicContact CE2-CG2 4.34Å; Y110-V112 PolarHBondContact O-N 3.02Å; V112-I116 HydrophobicContact CB-CD1 4.15Å; V112-I116 HydrophobicContact CG2-CB 4.35Å; V112-L117 HydrophobicContact CG2-CD2 3.37Å; V112-L117 HydrophobicContact CG2-CG 3.98Å; V112-F126 HydrophobicContact CG2-CE1 3.94Å; V112-F126 HydrophobicContact CG2-CZ 4.01Å; V112-Y221 PolarHBondContact O-OH 2.94Å; V112-F311 HydrophobicContact CG1-CE1 4.14Å; V112-F348 HydrophobicContact CB-CE2 4.15Å; V112-F348 HydrophobicContact CG1-CD2 3.59Å; V112-F348 HydrophobicContact CG1-CE2 3.62Å
113	Q	95.5	Very high	95	Very high	87 Å²	87	34.7 Å²	34.7	41%	0.407	17%	0.167	S	C	.	.			trans	-68.5	143.6	173.3	-73.6	-70.7	-12.7	0	0	111.9	S115 I116 S215	Q113-S115 PolarHBondContact O-N 3.47Å; Q113-S115 VanDerWaalsContact O-N 3.14Å; Q113-I116 HydrophobicContact CB-CD1 3.82Å; Q113-I116 HydrophobicContact CB-CG1 4.44Å; Q113-I116 WeakPolarHBondContact O-CB 3.41Å; Q113-I116 PolarHBondContact O-N 3.29Å; Q113-S215 PolarHBondContact NE2-O 3.26Å; Q113-S215 PolarHBondContact OE1-OG 2.63Å
114	P	94.8	Very high	95.2	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.013	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.2	-169.7	-24.4	35.6	0	0	0	115	I116 L117 Y208 L211 S215	P114-I116 PolarHBondContact O-N 3.26Å; P114-L117 PolarHBondContact O-N 3.48Å; P114-Y208 HydrophobicContact CB-CD2 4.13Å; P114-Y208 HydrophobicContact CB-CE2 3.92Å; P114-L211 HydrophobicContact CB-CB 3.95Å; P114-L211 HydrophobicContact CG-CB 3.64Å; P114-S215 WeakPolarHBondContact CD-OG 3.32Å
115	S	93	Very high	95.3	Very high	78 Å²	78	32.8 Å²	32.8	55%	0.545	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.4	176	53.7	0	0	0	0	114.1	Q113	Q113-S115 PolarHBondContact O-N 3.47Å; Q113-S115 VanDerWaalsContact O-N 3.14Å
116	I	93.7	Very high	95.3	Very high	32 Å²	32	29.9 Å²	29.9	16%	0.164	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-30	178.5	-57.8	158.7	0	0	0	111	V112 Q113 P114 Q118 F348 Y352	V112-I116 HydrophobicContact CB-CD1 4.15Å; V112-I116 HydrophobicContact CG2-CB 4.35Å; Q113-I116 HydrophobicContact CB-CD1 3.82Å; Q113-I116 HydrophobicContact CB-CG1 4.44Å; Q113-I116 WeakPolarHBondContact O-CB 3.41Å; Q113-I116 PolarHBondContact O-N 3.29Å; P114-I116 PolarHBondContact O-N 3.26Å; I116-Q118 PolarHBondContact O-N 3.21Å; I116-Q118 VanDerWaalsContact O-N 3.13Å; I116-Q118 PolarHBondContact O-NE2 2.85Å; I116-F348 HydrophobicContact CD1-CE2 4.04Å; I116-F348 HydrophobicContact CD1-CZ 3.69Å; I116-F348 HydrophobicContact CG1-CZ 4.38Å; I116-F348 HydrophobicContact CG2-CE2 3.82Å; I116-F348 HydrophobicContact CG2-CZ 3.87Å; I116-Y352 HydrophobicContact CG2-CD1 4.44Å; I116-Y352 HydrophobicContact CG2-CD2 3.39Å; I116-Y352 HydrophobicContact CG2-CE2 3.75Å; I116-Y352 HydrophobicContact CG2-CG 3.8Å
117	L	94.6	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.			trans	-64.5	110.7	-174.8	-61.1	177.3	0	0	0	111.3	E68 Y71 V112 P114 T122 R123 F126	E68-L117 WeakPolarHBondContact OE1-CA 3.45Å; Y71-L117 HydrophobicContact CD2-CD2 4.25Å; Y71-L117 HydrophobicContact CE2-CD2 4.04Å; V112-L117 HydrophobicContact CG2-CD2 3.37Å; V112-L117 HydrophobicContact CG2-CG 3.98Å; P114-L117 PolarHBondContact O-N 3.48Å; L117-T122 HydrophobicContact CD2-CG2 3.8Å; L117-R123 HydrophobicContact CB-CB 4.37Å; L117-R123 HydrophobicContact CD1-CB 4.23Å; L117-R123 HydrophobicContact CD1-CG 4.23Å; L117-R123 PolarHBondContact O-NH2 3.04Å; L117-F126 HydrophobicContact CD1-CB 3.97Å; L117-F126 HydrophobicContact CD1-CD1 3.64Å; L117-F126 HydrophobicContact CD1-CD2 4.13Å; L117-F126 HydrophobicContact CD1-CE1 4.09Å; L117-F126 HydrophobicContact CD1-CG 3.64Å; L117-F126 HydrophobicContact CD2-CD1 4.4Å; L117-F126 HydrophobicContact CD2-CD2 4.29Å; L117-F126 HydrophobicContact CD2-CE1 4.06Å; L117-F126 HydrophobicContact CD2-CE2 3.96Å; L117-F126 HydrophobicContact CD2-CG 4.5Å; L117-F126 HydrophobicContact CD2-CZ 3.84Å
118	Q	91.2	Very high	95.3	Very high	61 Å²	61	30.8 Å²	30.8	29%	0.285	15%	0.151	S	C	.	.			trans	-82.5	-39.7	-174.9	-61.4	-55.6	-84.6	0	0	112.2	E68 I116 Y352 A355	E68-Q118 PolarHBondContact OE1-N 2.96Å; I116-Q118 PolarHBondContact O-N 3.21Å; I116-Q118 VanDerWaalsContact O-N 3.13Å; I116-Q118 PolarHBondContact O-NE2 2.85Å; Q118-Y352 HydrophobicContact CG-CD2 4.37Å; Q118-Y352 HydrophobicContact CG-CE2 4.08Å; Q118-A355 HydrophobicContact CG-CB 4.41Å
119	L	92.1	Very high	95.3	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.147	15%	0.151	C	C	.	.	S	Bend	trans	-89.5	135.6	-178.5	-51.4	175.1	0	0	0	111.1	E68 E121 T122 R123 M359	E68-L119 HydrophobicContact CB-CD1 4.5Å; E68-L119 HydrophobicContact CG-CD1 4.38Å; E68-L119 HydrophobicContact CG-CG 4.48Å; E68-L119 VanDerWaalsContact OE2-CB 3.25Å; E68-L119 WeakPolarHBondContact OE2-CB 3.39Å; E68-L119 VanDerWaalsContact OE2-CG 3.29Å; E68-L119 WeakPolarHBondContact OE2-CG 3.47Å; E68-L119 PolarHBondContact OE2-N 2.88Å; L119-E121 PolarHBondContact O-N 3.31Å; L119-T122 PolarHBondContact O-N 2.87Å; L119-R123 PolarHBondContact O-N 2.88Å; L119-R123 VanDerWaalsContact O-N 3.1Å; L119-M359 HydrophobicContact CD2-CG 4.42Å; L119-M359 HydrophobicContact CD2-SD 3.73Å
120	E	92.6	Very high	95.3	Very high	123 Å²	123	30.2 Å²	30.2	58%	0.575	15%	0.149	S	C	*	.	H	α-helix	trans	-61.7	-32.6	177.2	-70.6	-151.4	116.3	0	0	112.7	R123 H124 S204	E120-R123 CarbonylContact O-C 3.59Å; E120-R123 WeakPolarHBondContact O-CB 3.24Å; E120-R123 PolarHBondContact O-N 3.2Å; E120-H124 PolarHBondContact O-N 3.06Å; E120-S204 WeakPolarHBondContact OE1-CB 3.46Å; E120-S204 PolarHBondContact OE1-OG 3.36Å
121	E	94	Very high	95.2	Very high	52 Å²	52	30.5 Å²	30.5	24%	0.243	15%	0.152	C	C	.	.	H	α-helix	trans	-76.5	-37.8	180	-174.1	51.7	-141.8	0	0	112.4	I63 I65 L119 R123 H124 Q125	I63-E121 HydrophobicContact CG2-CG 3.49Å; I63-E121 VanDerWaalsContact CG2-CG 3.49Å; I63-E121 WeakPolarHBondContact CG2-OE1 3.42Å; I65-E121 HydrophobicContact CG1-CB 4.47Å; I65-E121 HydrophobicContact CG1-CG 4.18Å; L119-E121 PolarHBondContact O-N 3.31Å; E121-R123 VanDerWaalsContact C-N 3.26Å; E121-R123 PolarHBondContact O-N 2.65Å; E121-H124 CarbonylContact O-C 3.54Å; E121-H124 WeakPolarHBondContact O-CA 3.45Å; E121-H124 WeakPolarHBondContact O-CB 3.44Å; E121-H124 PolarHBondContact O-N 3.29Å; E121-H124 IonicContact OE1-CD2 3.74Å; E121-H124 IonicContact OE2-CD2 3.48Å; E121-H124 PolarHBondContact OE2-CD2 3.28Å; E121-H124 IonicContact OE2-CG 3.95Å; E121-Q125 PolarHBondContact O-N 3.3Å; E121-Q125 PolarHBondContact OE1-NE2 3.36Å
122	T	96.2	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.9	-46.3	167.7	-51.6	0	0	0	0	110	E68 Y71 F72 L117 L119 H124 Q125 F126	E68-T122 HydrophobicContact CB-CG2 3.89Å; E68-T122 WeakPolarHBondContact CB-OG1 3.45Å; E68-T122 WeakPolarHBondContact OE2-CB 3.49Å; E68-T122 WeakPolarHBondContact OE2-CG2 3.36Å; E68-T122 PolarHBondContact OE2-OG1 3.35Å; Y71-T122 HydrophobicContact CD2-CG2 4.07Å; F72-T122 HydrophobicContact CE2-CG2 3.95Å; F72-T122 HydrophobicContact CZ-CG2 3.9Å; L117-T122 HydrophobicContact CD2-CG2 3.8Å; L119-T122 PolarHBondContact O-N 2.87Å; T122-H124 VanDerWaalsContact C-N 3.29Å; T122-H124 PolarHBondContact O-N 3.5Å; T122-Q125 PolarHBondContact O-N 3.01Å; T122-F126 HydrophobicContact CG2-CD2 4.04Å; T122-F126 HydrophobicContact CG2-CE2 3.92Å; T122-F126 VanDerWaalsContact O-CD2 3.27Å; T122-F126 WeakPolarHBondContact O-CD2 3.3Å; T122-F126 PolarHBondContact O-N 3.38Å
123	R	96.3	Very high	94.9	Very high	55 Å²	55	34.4 Å²	34.4	21%	0.208	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-34.8	174.9	-165	-176.6	-61.5	154.9	8	112.3	L117 L119 E120 E121 Y127 L211	L117-R123 HydrophobicContact CB-CB 4.37Å; L117-R123 HydrophobicContact CD1-CB 4.23Å; L117-R123 HydrophobicContact CD1-CG 4.23Å; L117-R123 PolarHBondContact O-NH2 3.04Å; L119-R123 PolarHBondContact O-N 2.88Å; L119-R123 VanDerWaalsContact O-N 3.1Å; E120-R123 CarbonylContact O-C 3.59Å; E120-R123 WeakPolarHBondContact O-CB 3.24Å; E120-R123 PolarHBondContact O-N 3.2Å; E121-R123 VanDerWaalsContact C-N 3.26Å; E121-R123 PolarHBondContact O-N 2.65Å; R123-Y127 PolarHBondContact O-N 3.45Å; R123-L211 HydrophobicContact CG-CD1 3.78Å
124	H	96.2	Very high	94.8	Very high	51 Å²	51	30.8 Å²	30.8	24%	0.236	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-45.3	173.2	-172.5	12.3	0	0	0	112.2	E120 E121 T122 Y127 T128 K207	E120-H124 PolarHBondContact O-N 3.06Å; E121-H124 CarbonylContact O-C 3.54Å; E121-H124 WeakPolarHBondContact O-CA 3.45Å; E121-H124 WeakPolarHBondContact O-CB 3.44Å; E121-H124 PolarHBondContact O-N 3.29Å; E121-H124 IonicContact OE1-CD2 3.74Å; E121-H124 IonicContact OE2-CD2 3.48Å; E121-H124 PolarHBondContact OE2-CD2 3.28Å; E121-H124 IonicContact OE2-CG 3.95Å; T122-H124 VanDerWaalsContact C-N 3.29Å; T122-H124 PolarHBondContact O-N 3.5Å; H124-Y127 AromaticContact ND1-CD1 3.68Å; H124-Y127 WeakPolarHBondContact O-CB 3.43Å; H124-Y127 PolarHBondContact O-N 2.88Å; H124-T128 PolarHBondContact O-N 3.12Å; H124-K207 PolarHBondContact ND1-NZ 2.81Å
125	Q	97	Very high	94.6	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-34.4	177.7	-63.8	-56	-32.4	0	0	112.2	I63 I65 F72 E121 T122 T128 N129	I63-Q125 HydrophobicContact CG2-CG 4.06Å; I65-Q125 HydrophobicContact CD1-CG 3.97Å; F72-Q125 HydrophobicContact CE1-CB 3.68Å; F72-Q125 HydrophobicContact CE1-CG 4.48Å; F72-Q125 HydrophobicContact CZ-CB 3.93Å; E121-Q125 PolarHBondContact O-N 3.3Å; E121-Q125 PolarHBondContact OE1-NE2 3.36Å; T122-Q125 PolarHBondContact O-N 3.01Å; Q125-T128 WeakPolarHBondContact CA-OG1 3.49Å; Q125-T128 PolarHBondContact O-N 3.39Å; Q125-T128 PolarHBondContact O-OG1 2.96Å; Q125-T128 PolarHBondContact OE1-OG1 3.33Å; Q125-N129 WeakPolarHBondContact O-CB 3.28Å; Q125-N129 PolarHBondContact O-N 3.14Å; Q125-N129 PolarHBondContact O-ND2 2.82Å
126	F	97.8	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.9	-47.8	168.5	-89.9	-121.2	0	0	0	111	Y71 F72 V108 Y110 F111 V112 L117 T122 T128 N129 V130 L211	Y71-F126 HydrophobicContact CD2-CE2 4.33Å; Y71-F126 HydrophobicContact CD2-CZ 4.36Å; Y71-F126 HydrophobicContact CG-CZ 4.34Å; F72-F126 HydrophobicContact CZ-CD2 4.27Å; F72-F126 HydrophobicContact CZ-CE2 4.18Å; V108-F126 HydrophobicContact CB-CE2 4.42Å; V108-F126 HydrophobicContact CG1-CD2 4.31Å; V108-F126 HydrophobicContact CG1-CE1 4.05Å; V108-F126 HydrophobicContact CG1-CE2 3.76Å; V108-F126 HydrophobicContact CG1-CZ 3.62Å; V108-F126 HydrophobicContact CG2-CD2 3.56Å; V108-F126 HydrophobicContact CG2-CE2 3.7Å; V108-F126 HydrophobicContact CG2-CG 4.12Å; V108-F126 HydrophobicContact CG2-CZ 4.36Å; Y110-F126 WeakPolarHBondContact O-CZ 3.44Å; F111-F126 HydrophobicContact CD1-CD1 4.34Å; F111-F126 HydrophobicContact CD1-CE1 4.4Å; V112-F126 HydrophobicContact CG2-CE1 3.94Å; V112-F126 HydrophobicContact CG2-CZ 4.01Å; L117-F126 HydrophobicContact CD1-CB 3.97Å; L117-F126 HydrophobicContact CD1-CD1 3.64Å; L117-F126 HydrophobicContact CD1-CD2 4.13Å; L117-F126 HydrophobicContact CD1-CE1 4.09Å; L117-F126 HydrophobicContact CD1-CG 3.64Å; L117-F126 HydrophobicContact CD2-CD1 4.4Å; L117-F126 HydrophobicContact CD2-CD2 4.29Å; L117-F126 HydrophobicContact CD2-CE1 4.06Å; L117-F126 HydrophobicContact CD2-CE2 3.96Å; L117-F126 HydrophobicContact CD2-CG 4.5Å; L117-F126 HydrophobicContact CD2-CZ 3.84Å; T122-F126 HydrophobicContact CG2-CD2 4.04Å; T122-F126 HydrophobicContact CG2-CE2 3.92Å; T122-F126 VanDerWaalsContact O-CD2 3.27Å; T122-F126 WeakPolarHBondContact O-CD2 3.3Å; T122-F126 PolarHBondContact O-N 3.38Å; F126-T128 PolarHBondContact O-N 3.37Å; F126-N129 PolarHBondContact O-N 3.32Å; F126-V130 WeakPolarHBondContact O-CG2 3.32Å; F126-V130 PolarHBondContact O-N 3.15Å; F126-L211 HydrophobicContact CB-CD1 4.15Å; F126-L211 HydrophobicContact CB-CD2 4.24Å
127	Y	97.2	Very high	94	Very high	18 Å²	18	31.7 Å²	31.7	7%	0.071	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-45.6	174.6	158.5	-89.9	0	0	0	112.7	R123 H124 N129 V130 V131 I158 K207 L210	R123-Y127 PolarHBondContact O-N 3.45Å; H124-Y127 AromaticContact ND1-CD1 3.68Å; H124-Y127 WeakPolarHBondContact O-CB 3.43Å; H124-Y127 PolarHBondContact O-N 2.88Å; Y127-N129 VanDerWaalsContact C-N 3.34Å; Y127-N129 PolarHBondContact O-N 3.09Å; Y127-V130 PolarHBondContact O-N 3Å; Y127-V131 HydrophobicContact CD2-CG2 4Å; Y127-V131 HydrophobicContact CE1-CG2 4.35Å; Y127-V131 HydrophobicContact CE2-CG2 3.55Å; Y127-V131 WeakPolarHBondContact O-CG2 3.37Å; Y127-V131 PolarHBondContact O-N 2.94Å; Y127-I158 HydrophobicContact CD2-CD1 4.19Å; Y127-I158 HydrophobicContact CE1-CG2 4.3Å; Y127-I158 HydrophobicContact CE2-CD1 3.5Å; Y127-I158 HydrophobicContact CE2-CG2 4.32Å; Y127-I158 WeakPolarHBondContact OH-CG2 3.37Å; Y127-K207 HydrophobicContact CD1-CD 4.45Å; Y127-K207 HydrophobicContact CD1-CG 4.24Å; Y127-K207 HydrophobicContact CD2-CB 4.32Å; Y127-K207 HydrophobicContact CD2-CG 3.94Å; Y127-K207 HydrophobicContact CE2-CG 4.36Å; Y127-K207 HydrophobicContact CG-CB 4.39Å; Y127-K207 HydrophobicContact CG-CD 4.41Å; Y127-K207 HydrophobicContact CG-CG 3.89Å; Y127-L210 HydrophobicContact CD2-CD1 4.39Å; Y127-L210 HydrophobicContact CD2-CD2 4.21Å; Y127-L210 HydrophobicContact CE2-CD1 4.05Å
128	T	96.8	Very high	93.5	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.086	17%	0.171	C	C	.	.	H	α-helix	trans	-66.5	-35.6	-179.8	60.1	0	0	0	0	112.2	A37 H124 Q125 F126 Y132	A37-T128 WeakPolarHBondContact CB-O 3.46Å; H124-T128 PolarHBondContact O-N 3.12Å; Q125-T128 WeakPolarHBondContact CA-OG1 3.49Å; Q125-T128 PolarHBondContact O-N 3.39Å; Q125-T128 PolarHBondContact O-OG1 2.96Å; Q125-T128 PolarHBondContact OE1-OG1 3.33Å; F126-T128 PolarHBondContact O-N 3.37Å; T128-Y132 WeakPolarHBondContact O-CB 3.39Å; T128-Y132 PolarHBondContact O-N 3.34Å
129	N	97.2	Very high	93.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-68.5	-42.4	175.4	-78.8	-106.1	0	0	0	111.5	A37 R107 V108 F111 Q125 F126 Y127 Y132 H133	A37-N129 HydrophobicContact CB-CB 4.38Å; R107-N129 VanDerWaalsContact CA-OD1 3.32Å; R107-N129 WeakPolarHBondContact CA-OD1 3.11Å; R107-N129 WeakPolarHBondContact CD-OD1 3.42Å; V108-N129 HydrophobicContact CB-CB 4.41Å; V108-N129 HydrophobicContact CG2-CB 4.06Å; V108-N129 PolarHBondContact N-OD1 2.84Å; F111-N129 HydrophobicContact CE1-CB 4.3Å; F111-N129 HydrophobicContact CZ-CB 4.14Å; Q125-N129 WeakPolarHBondContact O-CB 3.28Å; Q125-N129 PolarHBondContact O-N 3.14Å; Q125-N129 PolarHBondContact O-ND2 2.82Å; F126-N129 PolarHBondContact O-N 3.32Å; Y127-N129 VanDerWaalsContact C-N 3.34Å; Y127-N129 PolarHBondContact O-N 3.09Å; N129-Y132 WeakPolarHBondContact O-CB 3.5Å; N129-Y132 PolarHBondContact O-N 2.92Å; N129-H133 PolarHBondContact O-CD2 3.43Å; N129-H133 PolarHBondContact O-N 3.02Å
130	V	96	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-46.7	174.6	168.6	0	0	0	0	111.6	F111 F126 Y127 Y132 H133 L134 W139 L210 L211 V214 Y221	F111-V130 HydrophobicContact CE1-CG2 4.14Å; F126-V130 WeakPolarHBondContact O-CG2 3.32Å; F126-V130 PolarHBondContact O-N 3.15Å; Y127-V130 PolarHBondContact O-N 3Å; V130-Y132 VanDerWaalsContact C-N 3.27Å; V130-Y132 PolarHBondContact O-N 3.16Å; V130-H133 PolarHBondContact O-N 3.06Å; V130-H133 VanDerWaalsContact O-N 3.14Å; V130-L134 HydrophobicContact CG1-CD1 3.93Å; V130-L134 HydrophobicContact CG1-CG 4.32Å; V130-L134 WeakPolarHBondContact O-CG 3.4Å; V130-L134 PolarHBondContact O-N 3.27Å; V130-W139 HydrophobicContact CB-CZ3 4.29Å; V130-W139 HydrophobicContact CG1-CZ3 4.12Å; V130-W139 HydrophobicContact CG2-CH2 4.11Å; V130-W139 HydrophobicContact CG2-CZ3 3.88Å; V130-L210 HydrophobicContact CG1-CD2 3.84Å; V130-L211 HydrophobicContact CB-CD2 4.08Å; V130-L211 HydrophobicContact CG2-CD2 3.58Å; V130-V214 HydrophobicContact CG1-CB 4.12Å; V130-V214 HydrophobicContact CG1-CG1 3.94Å; V130-V214 HydrophobicContact CG1-CG2 3.87Å; V130-Y221 HydrophobicContact CG2-CD2 4.4Å; V130-Y221 HydrophobicContact CG2-CE2 3.92Å
131	V	94.9	Very high	91.1	Very high	18 Å²	18	29.2 Å²	29.2	11%	0.109	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-36.1	176.4	171.2	0	0	0	0	111.8	Y127 K135 M155	Y127-V131 HydrophobicContact CD2-CG2 4Å; Y127-V131 HydrophobicContact CE1-CG2 4.35Å; Y127-V131 HydrophobicContact CE2-CG2 3.55Å; Y127-V131 WeakPolarHBondContact O-CG2 3.37Å; Y127-V131 PolarHBondContact O-N 2.94Å; V131-K135 HydrophobicContact CG1-CD 4.24Å; V131-K135 HydrophobicContact CG1-CG 4.37Å; V131-K135 WeakPolarHBondContact O-CB 3.27Å; V131-K135 WeakPolarHBondContact O-CG 3.46Å; V131-K135 PolarHBondContact O-N 3.43Å; V131-M155 HydrophobicContact CB-SD 4.34Å; V131-M155 HydrophobicContact CG1-SD 3.87Å; V131-M155 HydrophobicContact CG2-CG 4.01Å; V131-M155 HydrophobicContact CG2-SD 3.81Å
132	Y	93.8	Very high	90.1	Very high	52 Å²	52	31.4 Å²	31.4	20%	0.204	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-45.9	173.1	172.7	-95.2	0	0	0	112.1	T128 N129 V130 N136	T128-Y132 WeakPolarHBondContact O-CB 3.39Å; T128-Y132 PolarHBondContact O-N 3.34Å; N129-Y132 WeakPolarHBondContact O-CB 3.5Å; N129-Y132 PolarHBondContact O-N 2.92Å; V130-Y132 VanDerWaalsContact C-N 3.27Å; V130-Y132 PolarHBondContact O-N 3.16Å; Y132-N136 VanDerWaalsContact CE1-ND2 3.27Å; Y132-N136 WeakPolarHBondContact CE1-ND2 3.42Å; Y132-N136 VanDerWaalsContact CE2-ND2 3.34Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.37Å; Y132-N136 WeakPolarHBondContact O-CB 3.44Å; Y132-N136 PolarHBondContact O-N 3.34Å; Y132-N136 PolarHBondContact O-ND2 3Å
133	H	92.9	Very high	89.5	Confident	43 Å²	43	32.6 Å²	32.6	20%	0.199	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-38.7	177.1	-74.6	-68.5	0	0	0	113.5	N129 V130 N136 G137 S138 W139	N129-H133 PolarHBondContact O-CD2 3.43Å; N129-H133 PolarHBondContact O-N 3.02Å; V130-H133 PolarHBondContact O-N 3.06Å; V130-H133 VanDerWaalsContact O-N 3.14Å; H133-N136 PolarHBondContact O-N 2.96Å; H133-G137 PolarHBondContact O-N 2.89Å; H133-S138 PolarHBondContact O-N 3Å; H133-W139 HydrophobicContact CB-CD2 3.72Å; H133-W139 HydrophobicContact CB-CE3 3.92Å; H133-W139 HydrophobicContact CB-CG 4.28Å; H133-W139 HydrophobicContact CB-CH2 4.23Å; H133-W139 HydrophobicContact CB-CZ2 4.04Å; H133-W139 HydrophobicContact CB-CZ3 4.17Å; H133-W139 AromaticContact CD2-CZ2 3.71Å; H133-W139 AromaticContact CG-CE2 3.82Å; H133-W139 AromaticContact CG-CZ2 3.81Å
134	L	92.6	Very high	89.2	Confident	11 Å²	11	33.6 Å²	33.6	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-46	175.1	-68.2	173.5	0	0	0	111.8	V130 N136 G137 L151 M155 V214 F218	V130-L134 HydrophobicContact CG1-CD1 3.93Å; V130-L134 HydrophobicContact CG1-CG 4.32Å; V130-L134 WeakPolarHBondContact O-CG 3.4Å; V130-L134 PolarHBondContact O-N 3.27Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.19Å; L134-G137 PolarHBondContact O-N 3.25Å; L134-L151 HydrophobicContact CD1-CD1 4.31Å; L134-L151 HydrophobicContact CD2-CD1 4.4Å; L134-M155 HydrophobicContact CD1-CE 4.22Å; L134-V214 HydrophobicContact CD1-CG2 4.22Å; L134-F218 HydrophobicContact CD2-CE1 3.74Å; L134-F218 HydrophobicContact CD2-CZ 4.01Å
135	K	90.8	Very high	89	Confident	61 Å²	61	33.7 Å²	33.7	27%	0.265	19%	0.192	S	C	.	.	H	α-helix	trans	-66.9	-32.6	178.2	-72	-169.7	-174.8	-150.3	0	113.4	V131 G137 C174 P177 E178	V131-K135 HydrophobicContact CG1-CD 4.24Å; V131-K135 HydrophobicContact CG1-CG 4.37Å; V131-K135 WeakPolarHBondContact O-CB 3.27Å; V131-K135 WeakPolarHBondContact O-CG 3.46Å; V131-K135 PolarHBondContact O-N 3.43Å; K135-G137 PolarHBondContact O-N 3.35Å; K135-C174 WeakPolarHBondContact CE-O 3.41Å; K135-C174 PolarHBondContact NZ-O 2.7Å; K135-P177 CarbonylContact O-C 3.57Å; K135-P177 WeakPolarHBondContact O-CA 3.27Å; K135-E178 PolarHBondContact O-N 2.77Å
136	N	89	Confident	88.9	Confident	55 Å²	55	39 Å²	39	29%	0.294	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4	172.9	-66	-28.9	0	0	0	113.2	Y132 H133 L134 S138	Y132-N136 VanDerWaalsContact CE1-ND2 3.27Å; Y132-N136 WeakPolarHBondContact CE1-ND2 3.42Å; Y132-N136 VanDerWaalsContact CE2-ND2 3.34Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.37Å; Y132-N136 WeakPolarHBondContact O-CB 3.44Å; Y132-N136 PolarHBondContact O-N 3.34Å; Y132-N136 PolarHBondContact O-ND2 3Å; H133-N136 PolarHBondContact O-N 2.96Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.19Å; N136-S138 WeakPolarHBondContact CB-OG 3.34Å; N136-S138 PolarHBondContact O-N 3.04Å
137	G	85.8	Confident	88.8	Confident	15 Å²	15	40.4 Å²	40.4	16%	0.155	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	23.8	-176	0	0	0	0	0	114.4	H133 L134 K135 W139 D140	H133-G137 PolarHBondContact O-N 2.89Å; L134-G137 PolarHBondContact O-N 3.25Å; K135-G137 PolarHBondContact O-N 3.35Å; G137-W139 VanDerWaalsContact C-N 3.26Å; G137-W139 PolarHBondContact O-N 3.17Å; G137-D140 WeakPolarHBondContact CA-OD1 3.07Å
138	S	83.2	Confident	88.6	Confident	60 Å²	60	40.2 Å²	40.2	42%	0.42	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.4	-173	-52.1	0	0	0	0	113.6	H133 N136	H133-S138 PolarHBondContact O-N 3Å; N136-S138 WeakPolarHBondContact CB-OG 3.34Å; N136-S138 PolarHBondContact O-N 3.04Å
139	W	83.7	Confident	88.5	Confident	12 Å²	12	39.5 Å²	39.5	5%	0.045	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	16.9	-175.3	-63.7	-17.1	0	0	0	112.5	F111 V130 H133 G137 A141 V214 F218 S220 Y221	F111-W139 HydrophobicContact CD1-CH2 4.38Å; F111-W139 AromaticContact CE1-CH2 3.92Å; F111-W139 HydrophobicContact CE1-CH2 3.92Å; F111-W139 HydrophobicContact CZ-CH2 4.2Å; F111-W139 HydrophobicContact CZ-CZ2 4.4Å; V130-W139 HydrophobicContact CB-CZ3 4.29Å; V130-W139 HydrophobicContact CG1-CZ3 4.12Å; V130-W139 HydrophobicContact CG2-CH2 4.11Å; V130-W139 HydrophobicContact CG2-CZ3 3.88Å; H133-W139 HydrophobicContact CB-CD2 3.72Å; H133-W139 HydrophobicContact CB-CE3 3.92Å; H133-W139 HydrophobicContact CB-CG 4.28Å; H133-W139 HydrophobicContact CB-CH2 4.23Å; H133-W139 HydrophobicContact CB-CZ2 4.04Å; H133-W139 HydrophobicContact CB-CZ3 4.17Å; H133-W139 AromaticContact CD2-CZ2 3.71Å; H133-W139 AromaticContact CG-CE2 3.82Å; H133-W139 AromaticContact CG-CZ2 3.81Å; G137-W139 VanDerWaalsContact C-N 3.26Å; G137-W139 PolarHBondContact O-N 3.17Å; W139-A141 VanDerWaalsContact C-N 3.33Å; W139-A141 PolarHBondContact O-N 2.76Å; W139-V214 HydrophobicContact CE3-CG1 3.88Å; W139-V214 HydrophobicContact CZ3-CG1 3.73Å; W139-F218 HydrophobicContact CB-CD1 3.94Å; W139-F218 WeakPolarHBondContact O-CD1 3.48Å; W139-S220 PolarHBondContact NE1-O 3.07Å; W139-S220 VanDerWaalsContact NE1-O 3.11Å; W139-Y221 AromaticContact CH2-CD2 3.85Å; W139-Y221 HydrophobicContact CH2-CD2 3.85Å; W139-Y221 HydrophobicContact CH2-CE2 4.5Å; W139-Y221 AromaticContact CZ3-CD2 3.88Å; W139-Y221 HydrophobicContact CZ3-CD2 3.88Å
140	D	72.3	Confident	88.5	Confident	23 Å²	23	41.5 Å²	41.5	12%	0.123	23%	0.23	C	C	.	.			trans	-74.1	-11	-167.7	-93.2	32	0	0	0	116.5	G137 D142 T143 P177 R180	G137-D140 WeakPolarHBondContact CA-OD1 3.07Å; D140-D142 PolarHBondContact O-N 2.96Å; D140-T143 PolarHBondContact O-N 3.31Å; D140-P177 WeakPolarHBondContact OD2-CG 3.49Å; D140-R180 IonicContact OD2-CZ 3.14Å; D140-R180 IonicContact OD2-NE 2.69Å; D140-R180 PolarHBondContact OD2-NE 3.32Å; D140-R180 IonicContact OD2-NH2 2.8Å; D140-R180 PolarHBondContact OD2-NH2 2.89Å
141	A	68.7	Low	88.5	Confident	65 Å²	65	41.7 Å²	41.7	54%	0.537	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.3	-158.2	0	0	0	0	0	115	W139	W139-A141 VanDerWaalsContact C-N 3.33Å; W139-A141 PolarHBondContact O-N 2.76Å
142	D	73.1	Confident	88.5	Confident	97 Å²	97	41 Å²	41	52%	0.519	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	6.6	-172.9	-58.2	-59.3	0	0	0	113.1	D140	D140-D142 PolarHBondContact O-N 2.96Å
143	T	83.2	Confident	88.6	Confident	26 Å²	26	38.5 Å²	38.5	16%	0.16	22%	0.217	C	C	.	.			trans	-78.5	128	-169.8	-40.3	0	0	0	0	113.2	D140 T147 Q148 F218	D140-T143 PolarHBondContact O-N 3.31Å; T143-T147 HydrophobicContact CG2-CG2 4.28Å; T143-Q148 HydrophobicContact CG2-CB 4.09Å; T143-F218 HydrophobicContact CG2-CE1 3.84Å; T143-F218 HydrophobicContact CG2-CE2 4.16Å; T143-F218 HydrophobicContact CG2-CZ 3.4Å; T143-F218 WeakPolarHBondContact OG1-CE1 3.32Å
144	T	91.3	Very high	88.8	Confident	75 Å²	75	36.5 Å²	36.5	46%	0.46	21%	0.207	S	C	.	.			trans	-69	152.2	171.2	76.8	0	0	0	0	111.8	E146 T147 Q148	T144-E146 PolarHBondContact O-N 2.83Å; T144-T147 PolarHBondContact O-N 2.87Å; T144-T147 WeakPolarHBondContact OG1-CB 3.48Å; T144-T147 PolarHBondContact OG1-N 3.21Å; T144-T147 PolarHBondContact OG1-OG1 3.03Å; T144-T147 VanDerWaalsContact OG1-OG1 3.04Å; T144-Q148 WeakPolarHBondContact O-CB 3.37Å; T144-Q148 PolarHBondContact O-N 3.4Å
145	L	91.8	Very high	88.9	Confident	53 Å²	53	36.1 Å²	36.1	28%	0.277	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-28.6	176.6	-164.5	69.3	0	0	0	112.1	S149 W176 E186 A187 M190	L145-S149 VanDerWaalsContact O-CB 3.3Å; L145-S149 WeakPolarHBondContact O-CB 3.41Å; L145-S149 PolarHBondContact O-N 3.38Å; L145-S149 PolarHBondContact O-OG 2.73Å; L145-W176 HydrophobicContact CD1-CH2 4.09Å; L145-W176 HydrophobicContact CD1-CZ3 4.49Å; L145-E186 HydrophobicContact CD2-CB 4.32Å; L145-E186 HydrophobicContact CD2-CG 4.1Å; L145-A187 HydrophobicContact CD1-CB 4.08Å; L145-A187 HydrophobicContact CG-CB 4.37Å; L145-M190 HydrophobicContact CB-CE 4.02Å; L145-M190 HydrophobicContact CD2-CE 3.79Å; L145-M190 HydrophobicContact CG-CE 3.64Å; L145-M190 WeakPolarHBondContact O-CE 3.44Å
146	E	94.9	Very high	89.1	Confident	121 Å²	121	33.2 Å²	33.2	57%	0.565	19%	0.193	S	C	*	.	H	α-helix	trans	-67.3	-57.1	175.5	-173.4	175.9	-168.6	0	0	111.3	T144 Q148 S149 H150 F194	T144-E146 PolarHBondContact O-N 2.83Å; E146-Q148 VanDerWaalsContact C-N 3.28Å; E146-Q148 PolarHBondContact O-N 2.99Å; E146-S149 WeakPolarHBondContact O-CA 3.45Å; E146-S149 WeakPolarHBondContact O-CB 3.44Å; E146-S149 PolarHBondContact O-N 2.8Å; E146-H150 PolarHBondContact O-N 2.8Å; E146-F194 HydrophobicContact CG-CE2 4.26Å; E146-F194 HydrophobicContact CG-CZ 3.83Å
147	T	94.6	Very high	89.4	Confident	29 Å²	29	31.2 Å²	31.2	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-42.9	177.2	-57.9	0	0	0	0	111	T143 T144 S149 H150 L151 I213 E217 F218	T143-T147 HydrophobicContact CG2-CG2 4.28Å; T144-T147 PolarHBondContact O-N 2.87Å; T144-T147 WeakPolarHBondContact OG1-CB 3.48Å; T144-T147 PolarHBondContact OG1-N 3.21Å; T144-T147 PolarHBondContact OG1-OG1 3.03Å; T144-T147 VanDerWaalsContact OG1-OG1 3.04Å; T147-S149 VanDerWaalsContact C-N 3.31Å; T147-S149 PolarHBondContact O-N 2.78Å; T147-H150 PolarHBondContact O-N 2.91Å; T147-L151 HydrophobicContact CG2-CD1 4.26Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.49Å; T147-L151 PolarHBondContact O-N 3.37Å; T147-I213 HydrophobicContact CG2-CG2 3.86Å; T147-E217 HydrophobicContact CG2-CB 4.28Å; T147-E217 HydrophobicContact CG2-CG 4.27Å; T147-F218 HydrophobicContact CG2-CE2 3.98Å; T147-F218 HydrophobicContact CG2-CZ 4.5Å
148	Q	93.5	Very high	89.8	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-39.5	175.7	-171.2	169.4	40.7	0	0	112.2	T143 T144 E146 I152 W176	T143-Q148 HydrophobicContact CG2-CB 4.09Å; T144-Q148 WeakPolarHBondContact O-CB 3.37Å; T144-Q148 PolarHBondContact O-N 3.4Å; E146-Q148 VanDerWaalsContact C-N 3.28Å; E146-Q148 PolarHBondContact O-N 2.99Å; Q148-I152 HydrophobicContact CG-CD1 4.1Å; Q148-I152 WeakPolarHBondContact O-CD1 3.22Å; Q148-I152 VanDerWaalsContact O-CG1 3.24Å; Q148-I152 WeakPolarHBondContact O-CG1 3.47Å; Q148-I152 PolarHBondContact O-N 3.25Å; Q148-W176 VanDerWaalsContact CD-CZ3 3.42Å; Q148-W176 HydrophobicContact CG-CZ3 4Å; Q148-W176 VanDerWaalsContact OE1-CH2 3.3Å; Q148-W176 VanDerWaalsContact OE1-CZ3 3.24Å
149	S	95.4	Very high	90.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.8	-35.2	178	-60.9	0	0	0	0	112.8	L145 E146 T147 I152 A153 A187 A191	L145-S149 VanDerWaalsContact O-CB 3.3Å; L145-S149 WeakPolarHBondContact O-CB 3.41Å; L145-S149 PolarHBondContact O-N 3.38Å; L145-S149 PolarHBondContact O-OG 2.73Å; E146-S149 WeakPolarHBondContact O-CA 3.45Å; E146-S149 WeakPolarHBondContact O-CB 3.44Å; E146-S149 PolarHBondContact O-N 2.8Å; T147-S149 VanDerWaalsContact C-N 3.31Å; T147-S149 PolarHBondContact O-N 2.78Å; S149-I152 PolarHBondContact O-N 3.14Å; S149-A153 PolarHBondContact O-N 2.96Å; S149-A187 WeakPolarHBondContact OG-CA 3.32Å; S149-A191 WeakPolarHBondContact O-CB 3.39Å
150	H	96.3	Very high	90.7	Very high	43 Å²	43	38.5 Å²	38.5	20%	0.199	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-43.9	173.7	-165.6	105.3	0	0	0	111.5	E146 T147 I152 A153 L154 F194 E209 I213	E146-H150 PolarHBondContact O-N 2.8Å; T147-H150 PolarHBondContact O-N 2.91Å; H150-I152 VanDerWaalsContact C-N 3.32Å; H150-I152 PolarHBondContact O-N 2.94Å; H150-A153 WeakPolarHBondContact O-CB 3.41Å; H150-A153 PolarHBondContact O-N 2.96Å; H150-L154 PolarHBondContact O-N 2.83Å; H150-F194 HydrophobicContact CB-CD2 3.92Å; H150-F194 HydrophobicContact CB-CE2 4.02Å; H150-F194 HydrophobicContact CB-CG 4.3Å; H150-F194 HydrophobicContact CB-CZ 4.49Å; H150-F194 AromaticContact ND1-CD1 3.47Å; H150-F194 WeakPolarHBondContact ND1-CD1 3.34Å; H150-F194 AromaticContact ND1-CE1 3.79Å; H150-F194 AromaticContact ND1-CG 3.66Å; H150-E209 IonicContact CD2-OE1 3.82Å; H150-E209 IonicContact CE1-OE1 3.62Å; H150-E209 IonicContact NE2-OE1 2.76Å; H150-E209 PolarHBondContact NE2-OE1 2.85Å; H150-I213 WeakPolarHBondContact CD2-CD1 3.38Å
151	L	96.3	Very high	91.6	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-38.4	174.6	-66.8	170.3	0	0	0	112.3	L134 T147 L154 M155 L210 I213 V214 F218	L134-L151 HydrophobicContact CD1-CD1 4.31Å; L134-L151 HydrophobicContact CD2-CD1 4.4Å; T147-L151 HydrophobicContact CG2-CD1 4.26Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.49Å; T147-L151 PolarHBondContact O-N 3.37Å; L151-L154 PolarHBondContact O-N 3.07Å; L151-M155 HydrophobicContact CB-CE 4.26Å; L151-M155 WeakPolarHBondContact O-CB 3.4Å; L151-M155 WeakPolarHBondContact O-CE 3.45Å; L151-M155 WeakPolarHBondContact O-CG 3.29Å; L151-M155 PolarHBondContact O-N 2.84Å; L151-L210 HydrophobicContact CD2-CD1 4.47Å; L151-L210 HydrophobicContact CD2-CG 3.81Å; L151-I213 HydrophobicContact CD2-CB 4.22Å; L151-I213 HydrophobicContact CD2-CG2 3.94Å; L151-I213 HydrophobicContact CG-CG2 4.38Å; L151-V214 HydrophobicContact CD1-CG2 4.01Å; L151-V214 HydrophobicContact CD2-CG2 3.65Å; L151-F218 HydrophobicContact CD1-CE2 3.65Å; L151-F218 HydrophobicContact CD1-CZ 3.44Å; L151-F218 VanDerWaalsContact CD1-CZ 3.44Å
152	I	95.2	Very high	92.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-37.1	175	-71.7	166.2	0	0	0	111.7	Q148 S149 H150 M155 A156 Y172 F175 W176 I183 A191	Q148-I152 HydrophobicContact CG-CD1 4.1Å; Q148-I152 WeakPolarHBondContact O-CD1 3.22Å; Q148-I152 VanDerWaalsContact O-CG1 3.24Å; Q148-I152 WeakPolarHBondContact O-CG1 3.47Å; Q148-I152 PolarHBondContact O-N 3.25Å; S149-I152 PolarHBondContact O-N 3.14Å; H150-I152 VanDerWaalsContact C-N 3.32Å; H150-I152 PolarHBondContact O-N 2.94Å; I152-M155 HydrophobicContact CG1-CE 4.17Å; I152-A156 VanDerWaalsContact O-CB 3.27Å; I152-A156 WeakPolarHBondContact O-CB 3.45Å; I152-A156 PolarHBondContact O-N 2.8Å; I152-Y172 HydrophobicContact CG2-CD1 3.54Å; I152-Y172 HydrophobicContact CG2-CE1 4.4Å; I152-Y172 HydrophobicContact CG2-CG 3.81Å; I152-F175 HydrophobicContact CG1-CB 4.13Å; I152-F175 HydrophobicContact CG2-CB 4.41Å; I152-W176 HydrophobicContact CD1-CE3 3.7Å; I152-W176 HydrophobicContact CD1-CZ3 4.21Å; I152-I183 HydrophobicContact CD1-CD1 4.39Å; I152-A191 HydrophobicContact CB-CB 4.45Å; I152-A191 HydrophobicContact CG2-CB 4.04Å
153	A	95.5	Very high	93.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-48.6	171.7	0	0	0	0	0	111.8	S149 H150 A156 Y157 F194 H195 L198	S149-A153 PolarHBondContact O-N 2.96Å; H150-A153 WeakPolarHBondContact O-CB 3.41Å; H150-A153 PolarHBondContact O-N 2.96Å; A153-A156 PolarHBondContact O-N 2.84Å; A153-Y157 WeakPolarHBondContact O-CB 3.19Å; A153-Y157 PolarHBondContact O-N 2.98Å; A153-F194 HydrophobicContact CB-CB 3.7Å; A153-H195 HydrophobicContact CB-CB 3.89Å; A153-L198 HydrophobicContact CB-CD1 4.31Å
154	L	97	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-46	177	-74.5	170.3	0	0	0	112.6	H150 L151 A156 Y157 I158 L198 A206 E209 L210 I213	H150-L154 PolarHBondContact O-N 2.83Å; L151-L154 PolarHBondContact O-N 3.07Å; L154-A156 VanDerWaalsContact C-N 3.33Å; L154-A156 PolarHBondContact O-N 3.44Å; L154-Y157 PolarHBondContact O-N 3.02Å; L154-I158 WeakPolarHBondContact O-CD1 3.16Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.46Å; L154-I158 PolarHBondContact O-N 3.04Å; L154-L198 HydrophobicContact CD2-CD1 3.76Å; L154-L198 HydrophobicContact CD2-CD2 3.81Å; L154-L198 HydrophobicContact CD2-CG 4.46Å; L154-L198 HydrophobicContact CG-CD1 4.23Å; L154-A206 HydrophobicContact CD2-CB 4.14Å; L154-E209 HydrophobicContact CD1-CB 4.44Å; L154-E209 HydrophobicContact CD1-CG 4.18Å; L154-L210 HydrophobicContact CB-CB 4.34Å; L154-L210 HydrophobicContact CB-CD1 4.01Å; L154-L210 HydrophobicContact CD1-CB 3.92Å; L154-I213 HydrophobicContact CD1-CD1 3.89Å
155	M	95.7	Very high	93.7	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-40	176.4	-73.8	-173.4	-87.1	0	0	112.2	V131 L134 L151 I152 Q159 F175 L210	V131-M155 HydrophobicContact CB-SD 4.34Å; V131-M155 HydrophobicContact CG1-SD 3.87Å; V131-M155 HydrophobicContact CG2-CG 4.01Å; V131-M155 HydrophobicContact CG2-SD 3.81Å; L134-M155 HydrophobicContact CD1-CE 4.22Å; L151-M155 HydrophobicContact CB-CE 4.26Å; L151-M155 WeakPolarHBondContact O-CB 3.4Å; L151-M155 WeakPolarHBondContact O-CE 3.45Å; L151-M155 WeakPolarHBondContact O-CG 3.29Å; L151-M155 PolarHBondContact O-N 2.84Å; I152-M155 HydrophobicContact CG1-CE 4.17Å; M155-Q159 VanDerWaalsContact O-CB 3.28Å; M155-Q159 WeakPolarHBondContact O-CB 3.42Å; M155-Q159 PolarHBondContact O-N 2.62Å; M155-Q159 VanDerWaalsContact O-N 3.11Å; M155-F175 HydrophobicContact CB-CB 4.39Å; M155-F175 HydrophobicContact CB-CD1 3.48Å; M155-F175 VanDerWaalsContact CB-CD1 3.48Å; M155-F175 HydrophobicContact CB-CD2 4.39Å; M155-F175 HydrophobicContact CB-CE1 3.74Å; M155-F175 HydrophobicContact CB-CG 3.85Å; M155-F175 HydrophobicContact CB-CZ 4.29Å; M155-F175 HydrophobicContact CE-CB 3.93Å; M155-F175 HydrophobicContact CG-CD1 4.22Å; M155-F175 HydrophobicContact SD-CB 4.12Å; M155-F175 HydrophobicContact SD-CD1 3.84Å; M155-F175 HydrophobicContact SD-CG 4.32Å; M155-L210 HydrophobicContact CG-CD1 3.56Å
156	A	94.6	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-40.2	175.7	0	0	0	0	0	112.2	I152 A153 L154 Q159 F160 Y172 F175	I152-A156 VanDerWaalsContact O-CB 3.27Å; I152-A156 WeakPolarHBondContact O-CB 3.45Å; I152-A156 PolarHBondContact O-N 2.8Å; A153-A156 PolarHBondContact O-N 2.84Å; L154-A156 VanDerWaalsContact C-N 3.33Å; L154-A156 PolarHBondContact O-N 3.44Å; A156-Q159 PolarHBondContact O-N 2.9Å; A156-F160 WeakPolarHBondContact O-CB 3.47Å; A156-F160 WeakPolarHBondContact O-CD2 3.43Å; A156-F160 PolarHBondContact O-N 3.08Å; A156-Y172 HydrophobicContact CB-CD1 3.87Å; A156-Y172 HydrophobicContact CB-CE1 3.62Å; A156-F175 HydrophobicContact CB-CD2 4.37Å; A156-F175 HydrophobicContact CB-CE2 3.84Å
157	Y	95.1	Very high	92.9	Very high	13 Å²	13	41.7 Å²	41.7	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-48	175.9	-176.2	-99.7	0	0	0	111.7	A153 L154 Q159 G161 N162 H195 L198 I201 A206	A153-Y157 WeakPolarHBondContact O-CB 3.19Å; A153-Y157 PolarHBondContact O-N 2.98Å; L154-Y157 PolarHBondContact O-N 3.02Å; Y157-Q159 VanDerWaalsContact C-N 3.27Å; Y157-Q159 PolarHBondContact O-N 3.11Å; Y157-G161 VanDerWaalsContact O-CA 3.26Å; Y157-G161 WeakPolarHBondContact O-CA 3.39Å; Y157-G161 PolarHBondContact O-N 2.66Å; Y157-N162 WeakPolarHBondContact CE2-OD1 3.37Å; Y157-H195 WeakPolarHBondContact CA-NE2 3.36Å; Y157-H195 AromaticContact CD2-CD2 3.8Å; Y157-H195 AromaticContact CD2-NE2 3.6Å; Y157-H195 PolarHBondContact N-CE1 3.33Å; Y157-L198 HydrophobicContact CD2-CB 3.94Å; Y157-L198 HydrophobicContact CE2-CB 4.18Å; Y157-L198 HydrophobicContact CG-CB 4.3Å; Y157-L198 HydrophobicContact CG-CD1 4.14Å; Y157-I201 HydrophobicContact CE1-CB 4.29Å; Y157-I201 HydrophobicContact CE1-CG2 4.48Å; Y157-I201 WeakPolarHBondContact CE1-O 3.37Å; Y157-I201 PolarHBondContact OH-N 2.77Å; Y157-I201 PolarHBondContact OH-O 2.86Å; Y157-A206 HydrophobicContact CD1-CB 3.89Å; Y157-A206 HydrophobicContact CE1-CB 4.2Å
158	I	95	Very high	92.4	Very high	26 Å²	26	40.4 Å²	40.4	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-33.7	179	-64.8	160.6	0	0	0	111.6	Y127 L154 A206 K207 L210	Y127-I158 HydrophobicContact CD2-CD1 4.19Å; Y127-I158 HydrophobicContact CE1-CG2 4.3Å; Y127-I158 HydrophobicContact CE2-CD1 3.5Å; Y127-I158 HydrophobicContact CE2-CG2 4.32Å; Y127-I158 WeakPolarHBondContact OH-CG2 3.37Å; L154-I158 WeakPolarHBondContact O-CD1 3.16Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.46Å; L154-I158 PolarHBondContact O-N 3.04Å; I158-A206 HydrophobicContact CD1-CB 4.04Å; I158-A206 HydrophobicContact CG1-CB 3.7Å; I158-K207 HydrophobicContact CD1-CG 4.06Å; I158-K207 HydrophobicContact CG2-CG 4.32Å; I158-L210 HydrophobicContact CD1-CD1 4.47Å
159	Q	92.5	Very high	91.8	Very high	121 Å²	121	41.4 Å²	41.4	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-89.8	-27.9	-176.2	-174.5	57.9	85.5	0	0	114.6	M155 A156 Y157 F175	M155-Q159 VanDerWaalsContact O-CB 3.28Å; M155-Q159 WeakPolarHBondContact O-CB 3.42Å; M155-Q159 PolarHBondContact O-N 2.62Å; M155-Q159 VanDerWaalsContact O-N 3.11Å; A156-Q159 PolarHBondContact O-N 2.9Å; Y157-Q159 VanDerWaalsContact C-N 3.27Å; Y157-Q159 PolarHBondContact O-N 3.11Å; Q159-F175 HydrophobicContact CB-CE1 4.4Å; Q159-F175 HydrophobicContact CB-CZ 3.89Å; Q159-F175 HydrophobicContact CG-CZ 4.15Å
160	F	91.9	Very high	91.3	Very high	92 Å²	92	46.2 Å²	46.2	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-130.6	-4.9	-170.4	-57.4	-66.7	0	0	0	115	A156 K171 F175	A156-F160 WeakPolarHBondContact O-CB 3.47Å; A156-F160 WeakPolarHBondContact O-CD2 3.43Å; A156-F160 PolarHBondContact O-N 3.08Å; F160-K171 HydrophobicContact CD1-CD 4.04Å; F160-K171 HydrophobicContact CD2-CB 4.23Å; F160-K171 HydrophobicContact CD2-CD 3.73Å; F160-K171 HydrophobicContact CD2-CG 4.37Å; F160-K171 HydrophobicContact CE1-CD 4.08Å; F160-K171 HydrophobicContact CE2-CB 3.77Å; F160-K171 HydrophobicContact CE2-CD 3.76Å; F160-K171 HydrophobicContact CE2-CG 3.93Å; F160-K171 HydrophobicContact CG-CD 3.86Å; F160-K171 HydrophobicContact CZ-CB 4.31Å; F160-K171 HydrophobicContact CZ-CD 3.93Å; F160-K171 HydrophobicContact CZ-CG 4.04Å; F160-F175 HydrophobicContact CD2-CE2 4.36Å; F160-F175 HydrophobicContact CD2-CZ 4.31Å; F160-F175 AromaticContact CE2-CE2 3.78Å; F160-F175 HydrophobicContact CE2-CE2 3.78Å; F160-F175 AromaticContact CE2-CZ 3.7Å; F160-F175 HydrophobicContact CE2-CZ 3.7Å
161	G	91.7	Very high	90.9	Very high	30 Å²	30	46.9 Å²	46.9	31%	0.309	26%	0.257	S	S	.	.			trans	70.8	-166.1	-171.1	0	0	0	0	0	113.2	Y157 H195	Y157-G161 VanDerWaalsContact O-CA 3.26Å; Y157-G161 WeakPolarHBondContact O-CA 3.39Å; Y157-G161 PolarHBondContact O-N 2.66Å; G161-H195 PolarHBondContact O-NE2 3.33Å; G161-H195 VanDerWaalsContact O-NE2 3.12Å
162	N	91.8	Very high	90.7	Very high	98 Å²	98	46.7 Å²	46.7	52%	0.524	26%	0.256	S	S	.	.	S	Bend	trans	-42.7	146.4	-173.8	-62.1	-9.7	0	0	0	115.2	Y157 N164	Y157-N162 WeakPolarHBondContact CE2-OD1 3.37Å; N162-N164 PolarHBondContact O-N 2.91Å
163	Y	91.7	Very high	90.4	Very high	59 Å²	59	49.1 Å²	49.1	23%	0.231	28%	0.276	C	S	.	.			trans	-52.4	124.8	177.7	174.8	-92.3	0	0	0	113.6	P165 T168 A192 H195 K196	Y163-P165 HydrophobicContact CE1-CB 3.89Å; Y163-P165 HydrophobicContact CE1-CG 4.41Å; Y163-T168 HydrophobicContact CD2-CG2 4.06Å; Y163-A192 HydrophobicContact CE2-CB 3.98Å; Y163-H195 VanDerWaalsContact CB-O 3.27Å; Y163-H195 WeakPolarHBondContact CB-O 3.44Å; Y163-H195 HydrophobicContact CD2-CB 4.14Å; Y163-H195 PolarHBondContact N-NE2 2.76Å; Y163-K196 HydrophobicContact CD1-CG 3.61Å; Y163-K196 HydrophobicContact CD2-CG 4.22Å; Y163-K196 HydrophobicContact CE1-CD 4.27Å; Y163-K196 HydrophobicContact CE1-CG 3.8Å; Y163-K196 HydrophobicContact CE2-CG 4.4Å; Y163-K196 HydrophobicContact CG-CG 3.83Å
164	N	89.2	Confident	90.2	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.364	30%	0.301	S	S	.	.			trans	-121.3	114.4	173.6	178.2	-31.8	0	0	0	108.9	N162 N166 T167 T168	N162-N164 PolarHBondContact O-N 2.91Å; N164-N166 PolarHBondContact O-N 2.99Å; N164-N166 WeakPolarHBondContact OD1-CB 3.21Å; N164-N166 PolarHBondContact OD1-N 3.49Å; N164-T167 PolarHBondContact O-N 3.26Å; N164-T168 PolarHBondContact N-OG1 2.8Å; N164-T168 WeakPolarHBondContact O-CB 3.32Å; N164-T168 PolarHBondContact O-N 3.48Å; N164-T168 PolarHBondContact O-OG1 2.98Å; N164-T168 VanDerWaalsContact O-OG1 3.11Å
165	P	87.5	Confident	89.9	Confident	80 Å²	80	53.2 Å²	53.2	52%	0.519	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.6	-173.5	24.8	-34.4	0	0	0	113.7	Y163 P169	Y163-P165 HydrophobicContact CE1-CB 3.89Å; Y163-P165 HydrophobicContact CE1-CG 4.41Å; P165-P169 WeakPolarHBondContact O-CD 3.33Å
166	N	86.8	Confident	89.6	Confident	142 Å²	142	54.3 Å²	54.3	76%	0.759	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-16.8	-175	-60.2	-14.7	0	0	0	113.6	N164	N164-N166 PolarHBondContact O-N 2.99Å; N164-N166 WeakPolarHBondContact OD1-CB 3.21Å; N164-N166 PolarHBondContact OD1-N 3.49Å
167	T	83.7	Confident	89.4	Confident	51 Å²	51	54.5 Å²	54.5	31%	0.313	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-28.5	-176	76.2	0	0	0	0	114.6	N164 K171	N164-T167 PolarHBondContact O-N 3.26Å; T167-K171 WeakPolarHBondContact O-CD 3.44Å; T167-K171 WeakPolarHBondContact O-CG 3.49Å; T167-K171 PolarHBondContact O-N 3.23Å; T167-K171 PolarHBondContact OG1-NZ 2.67Å
168	T	83.5	Confident	88.9	Confident	2 Å²	2	60 Å²	60	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-41.9	-174.2	-57.1	0	0	0	0	113.4	Y163 N164 C170 K171 Y172 H195	Y163-T168 HydrophobicContact CD2-CG2 4.06Å; N164-T168 PolarHBondContact N-OG1 2.8Å; N164-T168 WeakPolarHBondContact O-CB 3.32Å; N164-T168 PolarHBondContact O-N 3.48Å; N164-T168 PolarHBondContact O-OG1 2.98Å; N164-T168 VanDerWaalsContact O-OG1 3.11Å; T168-C170 VanDerWaalsContact C-N 3.3Å; T168-C170 PolarHBondContact O-N 3.12Å; T168-K171 WeakPolarHBondContact O-CB 3.5Å; T168-K171 PolarHBondContact O-N 3.17Å; T168-Y172 HydrophobicContact CG2-CE1 3.66Å; T168-Y172 HydrophobicContact CG2-CE2 4.46Å; T168-Y172 WeakPolarHBondContact CG2-OH 3.42Å; T168-Y172 PolarHBondContact O-N 2.88Å; T168-H195 VanDerWaalsContact CG2-CE1 3.45Å; T168-H195 WeakPolarHBondContact CG2-CE1 3.13Å; T168-H195 WeakPolarHBondContact CG2-ND1 3.36Å
169	P	81.9	Confident	88.2	Confident	33 Å²	33	62.9 Å²	62.9	21%	0.214	36%	0.356	C	S	.	.	H	α-helix	trans	-56.1	-40.5	177.5	-27.9	36.9	0	0	0	113.9	P165 K171 Y172 I188	P165-P169 WeakPolarHBondContact O-CD 3.33Å; P169-K171 VanDerWaalsContact C-N 3.28Å; P169-K171 PolarHBondContact O-N 2.99Å; P169-Y172 PolarHBondContact O-N 3.17Å; P169-I188 HydrophobicContact CB-CG2 4.15Å
170	C	84	Confident	87.6	Confident	102 Å²	102	61 Å²	61	69%	0.689	34%	0.343	S	S	*	.	H	α-helix	trans	-69.5	-24.5	178.5	-53.1	0	0	0	0	113.1	T168	T168-C170 VanDerWaalsContact C-N 3.3Å; T168-C170 PolarHBondContact O-N 3.12Å
171	K	88.7	Confident	87.3	Confident	57 Å²	57	63.9 Å²	63.9	25%	0.248	36%	0.363	C	S	.	.	H	α-helix	trans	-81.2	-17.5	179.9	-70.4	161.5	174.3	170.5	0	113.2	F160 T167 T168 P169 A173 C174 F175	F160-K171 HydrophobicContact CD1-CD 4.04Å; F160-K171 HydrophobicContact CD2-CB 4.23Å; F160-K171 HydrophobicContact CD2-CD 3.73Å; F160-K171 HydrophobicContact CD2-CG 4.37Å; F160-K171 HydrophobicContact CE1-CD 4.08Å; F160-K171 HydrophobicContact CE2-CB 3.77Å; F160-K171 HydrophobicContact CE2-CD 3.76Å; F160-K171 HydrophobicContact CE2-CG 3.93Å; F160-K171 HydrophobicContact CG-CD 3.86Å; F160-K171 HydrophobicContact CZ-CB 4.31Å; F160-K171 HydrophobicContact CZ-CD 3.93Å; F160-K171 HydrophobicContact CZ-CG 4.04Å; T167-K171 WeakPolarHBondContact O-CD 3.44Å; T167-K171 WeakPolarHBondContact O-CG 3.49Å; T167-K171 PolarHBondContact O-N 3.23Å; T167-K171 PolarHBondContact OG1-NZ 2.67Å; T168-K171 WeakPolarHBondContact O-CB 3.5Å; T168-K171 PolarHBondContact O-N 3.17Å; P169-K171 VanDerWaalsContact C-N 3.28Å; P169-K171 PolarHBondContact O-N 2.99Å; K171-A173 VanDerWaalsContact C-N 3.28Å; K171-A173 PolarHBondContact O-N 3.45Å; K171-C174 VanDerWaalsContact O-CB 3.29Å; K171-C174 WeakPolarHBondContact O-CB 3.16Å; K171-C174 PolarHBondContact O-N 3.09Å; K171-F175 WeakPolarHBondContact O-CD2 3.35Å
172	Y	92.5	Very high	87.2	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-62.9	-33.2	179.6	-66.4	-35.1	0	0	0	113.3	I152 A156 T168 P169 C174 F175 W176 I188 A191 A192 H195	I152-Y172 HydrophobicContact CG2-CD1 3.54Å; I152-Y172 HydrophobicContact CG2-CE1 4.4Å; I152-Y172 HydrophobicContact CG2-CG 3.81Å; A156-Y172 HydrophobicContact CB-CD1 3.87Å; A156-Y172 HydrophobicContact CB-CE1 3.62Å; T168-Y172 HydrophobicContact CG2-CE1 3.66Å; T168-Y172 HydrophobicContact CG2-CE2 4.46Å; T168-Y172 WeakPolarHBondContact CG2-OH 3.42Å; T168-Y172 PolarHBondContact O-N 2.88Å; P169-Y172 PolarHBondContact O-N 3.17Å; Y172-C174 PolarHBondContact O-N 3.19Å; Y172-F175 PolarHBondContact O-N 3.44Å; Y172-W176 PolarHBondContact O-N 2.87Å; Y172-I188 HydrophobicContact CD2-CG2 4.33Å; Y172-A191 HydrophobicContact CD1-CB 4.22Å; Y172-A191 HydrophobicContact CD2-CB 3.86Å; Y172-A191 HydrophobicContact CE1-CB 4.1Å; Y172-A191 HydrophobicContact CE2-CB 3.71Å; Y172-A191 HydrophobicContact CG-CB 4.12Å; Y172-A191 PolarHBondContact OH-O 3.31Å; Y172-A192 HydrophobicContact CE2-CB 4.05Å; Y172-H195 AromaticContact CE1-ND1 3.77Å; Y172-H195 AromaticContact CZ-ND1 3.97Å; Y172-H195 VanDerWaalsContact OH-CB 3.23Å; Y172-H195 WeakPolarHBondContact OH-CB 3.41Å; Y172-H195 PolarHBondContact OH-ND1 3.08Å
173	A	89.3	Confident	87.1	Confident	53 Å²	53	67.7 Å²	67.7	44%	0.438	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.3	173.5	0	0	0	0	0	112.9	K171 F175 W176 I183	K171-A173 VanDerWaalsContact C-N 3.28Å; K171-A173 PolarHBondContact O-N 3.45Å; A173-F175 PolarHBondContact O-N 3.11Å; A173-W176 PolarHBondContact O-N 2.97Å; A173-I183 HydrophobicContact CB-CG2 4Å
174	C	89.8	Confident	87.1	Confident	78 Å²	78	66.9 Å²	66.9	53%	0.527	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-72.2	-3.9	177.9	-53.1	0	0	0	0	114.2	K135 K171 Y172	K135-C174 WeakPolarHBondContact CE-O 3.41Å; K135-C174 PolarHBondContact NZ-O 2.7Å; K171-C174 VanDerWaalsContact O-CB 3.29Å; K171-C174 WeakPolarHBondContact O-CB 3.16Å; K171-C174 PolarHBondContact O-N 3.09Å; Y172-C174 PolarHBondContact O-N 3.19Å
175	F	91.2	Very high	87.2	Confident	9 Å²	9	68.3 Å²	68.3	4%	0.039	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-122.5	3.4	175.7	-51.2	-78	0	0	0	112.9	I152 M155 A156 Q159 F160 K171 Y172 A173	I152-F175 HydrophobicContact CG1-CB 4.13Å; I152-F175 HydrophobicContact CG2-CB 4.41Å; M155-F175 HydrophobicContact CB-CB 4.39Å; M155-F175 HydrophobicContact CB-CD1 3.48Å; M155-F175 VanDerWaalsContact CB-CD1 3.48Å; M155-F175 HydrophobicContact CB-CD2 4.39Å; M155-F175 HydrophobicContact CB-CE1 3.74Å; M155-F175 HydrophobicContact CB-CG 3.85Å; M155-F175 HydrophobicContact CB-CZ 4.29Å; M155-F175 HydrophobicContact CE-CB 3.93Å; M155-F175 HydrophobicContact CG-CD1 4.22Å; M155-F175 HydrophobicContact SD-CB 4.12Å; M155-F175 HydrophobicContact SD-CD1 3.84Å; M155-F175 HydrophobicContact SD-CG 4.32Å; A156-F175 HydrophobicContact CB-CD2 4.37Å; A156-F175 HydrophobicContact CB-CE2 3.84Å; Q159-F175 HydrophobicContact CB-CE1 4.4Å; Q159-F175 HydrophobicContact CB-CZ 3.89Å; Q159-F175 HydrophobicContact CG-CZ 4.15Å; F160-F175 HydrophobicContact CD2-CE2 4.36Å; F160-F175 HydrophobicContact CD2-CZ 4.31Å; F160-F175 AromaticContact CE2-CE2 3.78Å; F160-F175 HydrophobicContact CE2-CE2 3.78Å; F160-F175 AromaticContact CE2-CZ 3.7Å; F160-F175 HydrophobicContact CE2-CZ 3.7Å; K171-F175 WeakPolarHBondContact O-CD2 3.35Å; Y172-F175 PolarHBondContact O-N 3.44Å; A173-F175 PolarHBondContact O-N 3.11Å
176	W	90.6	Very high	87.6	Confident	26 Å²	26	69.3 Å²	69.3	10%	0.098	38%	0.383	C	S	.	.	S	Bend	trans	-75.2	144.5	172.4	-169.5	-112.4	0	0	0	109.9	L145 Q148 I152 Y172 A173 E178 R180 N181 I183 P184 A187	L145-W176 HydrophobicContact CD1-CH2 4.09Å; L145-W176 HydrophobicContact CD1-CZ3 4.49Å; Q148-W176 VanDerWaalsContact CD-CZ3 3.42Å; Q148-W176 HydrophobicContact CG-CZ3 4Å; Q148-W176 VanDerWaalsContact OE1-CH2 3.3Å; Q148-W176 VanDerWaalsContact OE1-CZ3 3.24Å; I152-W176 HydrophobicContact CD1-CE3 3.7Å; I152-W176 HydrophobicContact CD1-CZ3 4.21Å; Y172-W176 PolarHBondContact O-N 2.87Å; A173-W176 PolarHBondContact O-N 2.97Å; W176-E178 PolarHBondContact O-N 3.19Å; W176-R180 HydrophobicContact CZ2-CB 4.31Å; W176-R180 VanDerWaalsContact CZ2-CD 3.44Å; W176-N181 VanDerWaalsContact CD1-O 3.3Å; W176-N181 PolarHBondContact NE1-O 3.1Å; W176-I183 HydrophobicContact CB-CB 4.24Å; W176-I183 HydrophobicContact CB-CD1 4.45Å; W176-I183 HydrophobicContact CD2-CB 3.8Å; W176-I183 HydrophobicContact CD2-CD1 4.29Å; W176-I183 HydrophobicContact CD2-CG1 3.85Å; W176-I183 HydrophobicContact CE3-CB 4.19Å; W176-I183 HydrophobicContact CE3-CD1 3.89Å; W176-I183 HydrophobicContact CE3-CG1 3.69Å; W176-I183 HydrophobicContact CG-CB 3.82Å; W176-I183 HydrophobicContact CG-CG1 4.29Å; W176-I183 HydrophobicContact CZ3-CG1 4.15Å; W176-P184 VanDerWaalsContact CH2-CD 3.44Å; W176-P184 HydrophobicContact CH2-CG 4.12Å; W176-P184 HydrophobicContact CZ2-CG 4.15Å; W176-A187 HydrophobicContact CZ3-CB 4.22Å
177	P	88.8	Confident	87.9	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.032	35%	0.347	C	S	.	.			trans	-63.2	131.7	-177.8	-24.8	35.1	0	0	0	113.6	K135 D140 C179 R180	K135-P177 CarbonylContact O-C 3.57Å; K135-P177 WeakPolarHBondContact O-CA 3.27Å; D140-P177 WeakPolarHBondContact OD2-CG 3.49Å; P177-C179 PolarHBondContact O-N 3.27Å; P177-C179 VanDerWaalsContact O-N 3.09Å; P177-R180 HydrophobicContact CB-CG 4.23Å; P177-R180 PolarHBondContact O-N 2.8Å
178	E	85	Confident	88.4	Confident	127 Å²	127	62.6 Å²	62.6	59%	0.593	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.1	-178.8	-72.2	-168.3	-162.5	0	0	113.9	K135 W176	K135-E178 PolarHBondContact O-N 2.77Å; W176-E178 PolarHBondContact O-N 3.19Å
179	C	80	Confident	88.9	Confident	87 Å²	87	70.1 Å²	70.1	59%	0.588	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-11.4	177.2	66.5	0	0	0	0	113.8	P177	P177-C179 PolarHBondContact O-N 3.27Å; P177-C179 VanDerWaalsContact O-N 3.09Å
180	R	81.1	Confident	89.6	Confident	82 Å²	82	70.8 Å²	70.8	31%	0.309	37%	0.373	S	S	.	.	S	Bend	trans	-96.4	160.7	179.8	-65.7	-173.1	-174.3	-152	-1.1	111.2	D140 W176 P177	D140-R180 IonicContact OD2-CZ 3.14Å; D140-R180 IonicContact OD2-NE 2.69Å; D140-R180 PolarHBondContact OD2-NE 3.32Å; D140-R180 IonicContact OD2-NH2 2.8Å; D140-R180 PolarHBondContact OD2-NH2 2.89Å; W176-R180 HydrophobicContact CZ2-CB 4.31Å; W176-R180 VanDerWaalsContact CZ2-CD 3.44Å; P177-R180 HydrophobicContact CB-CG 4.23Å; P177-R180 PolarHBondContact O-N 2.8Å
181	N	84.7	Confident	90.2	Very high	152 Å²	152	65.9 Å²	65.9	81%	0.813	34%	0.341	S	S	*	.	S	Bend	trans	-69.3	-173.1	166.6	-62.5	-26.6	0	0	0	110.8	W176	W176-N181 VanDerWaalsContact CD1-O 3.3Å; W176-N181 PolarHBondContact NE1-O 3.1Å
182	E	88.7	Confident	90.5	Very high	186 Å²	186	63.7 Å²	63.7	87%	0.869	33%	0.333	S	S	*	.	S	Bend	trans	-45.4	142	176.9	-61.9	-179.7	-177.3	0	0	113.9	P184	E182-P184 WeakPolarHBondContact O-CD 3.06Å
183	I	90.7	Very high	90.6	Very high	22 Å²	22	66.5 Å²	66.5	11%	0.113	35%	0.352	C	S	.	.			trans	-63.2	125	179.7	179.5	171.3	0	0	0	110.7	I152 A173 W176 A187 I188	I152-I183 HydrophobicContact CD1-CD1 4.39Å; A173-I183 HydrophobicContact CB-CG2 4Å; W176-I183 HydrophobicContact CB-CB 4.24Å; W176-I183 HydrophobicContact CB-CD1 4.45Å; W176-I183 HydrophobicContact CD2-CB 3.8Å; W176-I183 HydrophobicContact CD2-CD1 4.29Å; W176-I183 HydrophobicContact CD2-CG1 3.85Å; W176-I183 HydrophobicContact CE3-CB 4.19Å; W176-I183 HydrophobicContact CE3-CD1 3.89Å; W176-I183 HydrophobicContact CE3-CG1 3.69Å; W176-I183 HydrophobicContact CG-CB 3.82Å; W176-I183 HydrophobicContact CG-CG1 4.29Å; W176-I183 HydrophobicContact CZ3-CG1 4.15Å; I183-A187 HydrophobicContact CD1-CB 4.35Å; I183-A187 HydrophobicContact CG1-CB 4.03Å; I183-I188 HydrophobicContact CD1-CG1 4.07Å; I183-I188 HydrophobicContact CG1-CG1 4.11Å; I183-I188 HydrophobicContact CG2-CD1 4.05Å; I183-I188 HydrophobicContact CG2-CG1 4.18Å
184	P	91.9	Very high	90.9	Very high	42 Å²	42	66.1 Å²	66.1	27%	0.273	34%	0.341	S	S	.	.			trans	-57.8	138.5	-179.4	-27.9	35.4	0	0	0	112.5	W176 E182 E186 A187 I188	W176-P184 VanDerWaalsContact CH2-CD 3.44Å; W176-P184 HydrophobicContact CH2-CG 4.12Å; W176-P184 HydrophobicContact CZ2-CG 4.15Å; E182-P184 WeakPolarHBondContact O-CD 3.06Å; P184-E186 PolarHBondContact O-N 3.38Å; P184-A187 HydrophobicContact CB-CB 4.44Å; P184-A187 WeakPolarHBondContact O-CB 3.47Å; P184-A187 PolarHBondContact O-N 2.93Å; P184-I188 PolarHBondContact O-N 2.87Å; P184-I188 VanDerWaalsContact O-N 3.17Å
185	P	91.9	Very high	91.2	Very high	98 Å²	98	62.4 Å²	62.4	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-55.1	-27.2	175.2	-28.2	35.8	0	0	0	113.7	R189	P185-R189 WeakPolarHBondContact O-CG 3.48Å; P185-R189 PolarHBondContact O-N 2.63Å; P185-R189 VanDerWaalsContact O-N 3.11Å
186	E	94.1	Very high	91.3	Very high	101 Å²	101	66.2 Å²	66.2	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-67.5	-43.9	173.9	-174.8	163.1	-144.6	0	0	113.2	L145 P184 I188 R189 M190	L145-E186 HydrophobicContact CD2-CB 4.32Å; L145-E186 HydrophobicContact CD2-CG 4.1Å; P184-E186 PolarHBondContact O-N 3.38Å; E186-I188 VanDerWaalsContact C-N 3.32Å; E186-I188 PolarHBondContact O-N 3.31Å; E186-R189 WeakPolarHBondContact O-CB 3.25Å; E186-R189 PolarHBondContact O-N 2.86Å; E186-R189 VanDerWaalsContact O-N 3.12Å; E186-M190 HydrophobicContact CG-CE 4.2Å; E186-M190 PolarHBondContact O-N 3.32Å
187	A	93.5	Very high	91.5	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.008	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-38.6	174.6	0	0	0	0	0	111.6	L145 S149 W176 I183 P184 R189 M190 A191	L145-A187 HydrophobicContact CD1-CB 4.08Å; L145-A187 HydrophobicContact CG-CB 4.37Å; S149-A187 WeakPolarHBondContact OG-CA 3.32Å; W176-A187 HydrophobicContact CZ3-CB 4.22Å; I183-A187 HydrophobicContact CD1-CB 4.35Å; I183-A187 HydrophobicContact CG1-CB 4.03Å; P184-A187 HydrophobicContact CB-CB 4.44Å; P184-A187 WeakPolarHBondContact O-CB 3.47Å; P184-A187 PolarHBondContact O-N 2.93Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 2.92Å; A187-M190 PolarHBondContact O-N 2.91Å; A187-A191 VanDerWaalsContact O-CB 3.28Å; A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 2.86Å
188	I	94.4	Very high	91.6	Very high	51 Å²	51	70.4 Å²	70.4	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-58.2	-44	172.1	-63.2	169.6	0	0	0	110.7	P169 Y172 I183 P184 E186 A192	P169-I188 HydrophobicContact CB-CG2 4.15Å; Y172-I188 HydrophobicContact CD2-CG2 4.33Å; I183-I188 HydrophobicContact CD1-CG1 4.07Å; I183-I188 HydrophobicContact CG1-CG1 4.11Å; I183-I188 HydrophobicContact CG2-CD1 4.05Å; I183-I188 HydrophobicContact CG2-CG1 4.18Å; P184-I188 PolarHBondContact O-N 2.87Å; P184-I188 VanDerWaalsContact O-N 3.17Å; E186-I188 VanDerWaalsContact C-N 3.32Å; E186-I188 PolarHBondContact O-N 3.31Å; I188-A192 WeakPolarHBondContact O-CB 3.36Å; I188-A192 PolarHBondContact O-N 3.14Å
189	R	94.8	Very high	91.7	Very high	161 Å²	161	70.5 Å²	70.5	61%	0.608	36%	0.355	S	S	*	.	H	α-helix	trans	-66.1	-44.4	178.1	-70.9	-176.6	-50.6	-133.8	3.5	112.4	P185 E186 A187 A192 S193	P185-R189 WeakPolarHBondContact O-CG 3.48Å; P185-R189 PolarHBondContact O-N 2.63Å; P185-R189 VanDerWaalsContact O-N 3.11Å; E186-R189 WeakPolarHBondContact O-CB 3.25Å; E186-R189 PolarHBondContact O-N 2.86Å; E186-R189 VanDerWaalsContact O-N 3.12Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 2.92Å; R189-A192 CarbonylContact O-C 3.45Å; R189-A192 PolarHBondContact O-N 3.04Å; R189-S193 PolarHBondContact O-N 3.25Å
190	M	96.5	Very high	92	Very high	46 Å²	46	73.5 Å²	73.5	23%	0.227	37%	0.365	C	S	.	.	H	α-helix	trans	-67.6	-45.9	-179.9	-68.4	-168.2	-62	0	0	111.5	L145 E186 A187 A192 S193 F194	L145-M190 HydrophobicContact CB-CE 4.02Å; L145-M190 HydrophobicContact CD2-CE 3.79Å; L145-M190 HydrophobicContact CG-CE 3.64Å; L145-M190 WeakPolarHBondContact O-CE 3.44Å; E186-M190 HydrophobicContact CG-CE 4.2Å; E186-M190 PolarHBondContact O-N 3.32Å; A187-M190 PolarHBondContact O-N 2.91Å; M190-A192 VanDerWaalsContact C-N 3.25Å; M190-A192 PolarHBondContact O-N 3.4Å; M190-S193 WeakPolarHBondContact O-CA 3.36Å; M190-S193 WeakPolarHBondContact O-CB 3.27Å; M190-S193 PolarHBondContact O-N 3.15Å; M190-F194 HydrophobicContact CB-CE2 4.17Å; M190-F194 WeakPolarHBondContact O-CD2 3.26Å; M190-F194 PolarHBondContact O-N 2.99Å
191	A	95.7	Very high	92.6	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-32.6	172.8	0	0	0	0	0	112.1	S149 I152 Y172 A187 S193 H195	S149-A191 WeakPolarHBondContact O-CB 3.39Å; I152-A191 HydrophobicContact CB-CB 4.45Å; I152-A191 HydrophobicContact CG2-CB 4.04Å; Y172-A191 HydrophobicContact CD1-CB 4.22Å; Y172-A191 HydrophobicContact CD2-CB 3.86Å; Y172-A191 HydrophobicContact CE1-CB 4.1Å; Y172-A191 HydrophobicContact CE2-CB 3.71Å; Y172-A191 HydrophobicContact CG-CB 4.12Å; Y172-A191 PolarHBondContact OH-O 3.31Å; A187-A191 VanDerWaalsContact O-CB 3.28Å; A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 2.86Å; A191-S193 VanDerWaalsContact C-N 3.27Å; A191-S193 PolarHBondContact O-N 3.46Å; A191-H195 WeakPolarHBondContact O-CB 3.2Å; A191-H195 PolarHBondContact O-N 2.81Å; A191-H195 VanDerWaalsContact O-N 3.16Å
192	A	95.3	Very high	93.1	Very high	10 Å²	10	69 Å²	69	8%	0.083	35%	0.35	C	S	.	.	H	α-helix	trans	-75.5	-7.3	170.8	0	0	0	0	0	114.4	Y163 Y172 I188 R189 M190 K196	Y163-A192 HydrophobicContact CE2-CB 3.98Å; Y172-A192 HydrophobicContact CE2-CB 4.05Å; I188-A192 WeakPolarHBondContact O-CB 3.36Å; I188-A192 PolarHBondContact O-N 3.14Å; R189-A192 CarbonylContact O-C 3.45Å; R189-A192 PolarHBondContact O-N 3.04Å; M190-A192 VanDerWaalsContact C-N 3.25Å; M190-A192 PolarHBondContact O-N 3.4Å; A192-K196 WeakPolarHBondContact O-CD 3.44Å; A192-K196 WeakPolarHBondContact O-CE 3.46Å; A192-K196 WeakPolarHBondContact O-CG 3.43Å; A192-K196 PolarHBondContact O-NZ 3.02Å
193	S	95.3	Very high	93.4	Very high	59 Å²	59	63.8 Å²	63.8	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-88.5	-63.5	167.1	-155.9	0	0	0	0	109.1	R189 M190 A191 H195 K196 D197	R189-S193 PolarHBondContact O-N 3.25Å; M190-S193 WeakPolarHBondContact O-CA 3.36Å; M190-S193 WeakPolarHBondContact O-CB 3.27Å; M190-S193 PolarHBondContact O-N 3.15Å; A191-S193 VanDerWaalsContact C-N 3.27Å; A191-S193 PolarHBondContact O-N 3.46Å; S193-H195 PolarHBondContact O-N 2.89Å; S193-K196 WeakPolarHBondContact O-CB 3.3Å; S193-K196 PolarHBondContact O-N 2.93Å; S193-D197 PolarHBondContact O-N 3.46Å
194	F	96.1	Very high	93.6	Very high	45 Å²	45	64.4 Å²	64.4	20%	0.197	34%	0.338	C	S	.	.	H	α-helix	trans	-50.5	-41.2	-177.8	-61.9	-55.4	0	0	0	112.9	E146 H150 A153 M190 K196 D197 L198	E146-F194 HydrophobicContact CG-CE2 4.26Å; E146-F194 HydrophobicContact CG-CZ 3.83Å; H150-F194 HydrophobicContact CB-CD2 3.92Å; H150-F194 HydrophobicContact CB-CE2 4.02Å; H150-F194 HydrophobicContact CB-CG 4.3Å; H150-F194 HydrophobicContact CB-CZ 4.49Å; H150-F194 AromaticContact ND1-CD1 3.47Å; H150-F194 WeakPolarHBondContact ND1-CD1 3.34Å; H150-F194 AromaticContact ND1-CE1 3.79Å; H150-F194 AromaticContact ND1-CG 3.66Å; A153-F194 HydrophobicContact CB-CB 3.7Å; M190-F194 HydrophobicContact CB-CE2 4.17Å; M190-F194 WeakPolarHBondContact O-CD2 3.26Å; M190-F194 PolarHBondContact O-N 2.99Å; F194-K196 VanDerWaalsContact C-N 3.3Å; F194-K196 PolarHBondContact O-N 2.63Å; F194-D197 PolarHBondContact O-N 2.79Å; F194-D197 VanDerWaalsContact O-N 3.07Å; F194-L198 WeakPolarHBondContact O-CG 3.28Å; F194-L198 PolarHBondContact O-N 2.86Å
195	H	95	Very high	93.7	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-71.2	-17.6	179	-159.8	172.1	0	0	0	114.5	A153 Y157 G161 Y163 T168 Y172 A191 S193 D197	A153-H195 HydrophobicContact CB-CB 3.89Å; Y157-H195 WeakPolarHBondContact CA-NE2 3.36Å; Y157-H195 AromaticContact CD2-CD2 3.8Å; Y157-H195 AromaticContact CD2-NE2 3.6Å; Y157-H195 PolarHBondContact N-CE1 3.33Å; G161-H195 PolarHBondContact O-NE2 3.33Å; G161-H195 VanDerWaalsContact O-NE2 3.12Å; Y163-H195 VanDerWaalsContact CB-O 3.27Å; Y163-H195 WeakPolarHBondContact CB-O 3.44Å; Y163-H195 HydrophobicContact CD2-CB 4.14Å; Y163-H195 PolarHBondContact N-NE2 2.76Å; T168-H195 VanDerWaalsContact CG2-CE1 3.45Å; T168-H195 WeakPolarHBondContact CG2-CE1 3.13Å; T168-H195 WeakPolarHBondContact CG2-ND1 3.36Å; Y172-H195 AromaticContact CE1-ND1 3.77Å; Y172-H195 AromaticContact CZ-ND1 3.97Å; Y172-H195 VanDerWaalsContact OH-CB 3.23Å; Y172-H195 WeakPolarHBondContact OH-CB 3.41Å; Y172-H195 PolarHBondContact OH-ND1 3.08Å; A191-H195 WeakPolarHBondContact O-CB 3.2Å; A191-H195 PolarHBondContact O-N 2.81Å; A191-H195 VanDerWaalsContact O-N 3.16Å; S193-H195 PolarHBondContact O-N 2.89Å; H195-D197 VanDerWaalsContact C-N 3.31Å
196	K	93.9	Very high	94	Very high	89 Å²	89	62.5 Å²	62.5	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-77.2	-23.3	169.6	-68.6	168.2	-174.4	143.6	0	112.4	Y163 A192 S193 F194 K199	Y163-K196 HydrophobicContact CD1-CG 3.61Å; Y163-K196 HydrophobicContact CD2-CG 4.22Å; Y163-K196 HydrophobicContact CE1-CD 4.27Å; Y163-K196 HydrophobicContact CE1-CG 3.8Å; Y163-K196 HydrophobicContact CE2-CG 4.4Å; Y163-K196 HydrophobicContact CG-CG 3.83Å; A192-K196 WeakPolarHBondContact O-CD 3.44Å; A192-K196 WeakPolarHBondContact O-CE 3.46Å; A192-K196 WeakPolarHBondContact O-CG 3.43Å; A192-K196 PolarHBondContact O-NZ 3.02Å; S193-K196 WeakPolarHBondContact O-CB 3.3Å; S193-K196 PolarHBondContact O-N 2.93Å; F194-K196 VanDerWaalsContact C-N 3.3Å; F194-K196 PolarHBondContact O-N 2.63Å; K196-K199 WeakPolarHBondContact O-CE 3.34Å; K196-K199 PolarHBondContact O-NZ 2.77Å; K196-K199 VanDerWaalsContact O-NZ 3.13Å
197	D	93.3	Very high	94.1	Very high	110 Å²	110	59.3 Å²	59.3	59%	0.588	30%	0.301	S	S	*	.	H	α-helix	trans	-89.6	-28	-178	-52.7	-39.4	0	0	0	110.4	S193 F194 H195 K199	S193-D197 PolarHBondContact O-N 3.46Å; F194-D197 PolarHBondContact O-N 2.79Å; F194-D197 VanDerWaalsContact O-N 3.07Å; H195-D197 VanDerWaalsContact C-N 3.31Å; D197-K199 PolarHBondContact O-N 3.38Å
198	L	92.3	Very high	94.3	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	31%	0.314	C	S	.	.			trans	-65.3	92.9	163.3	-63.8	176.9	0	0	0	111.4	A153 L154 Y157 F194 I201	A153-L198 HydrophobicContact CB-CD1 4.31Å; L154-L198 HydrophobicContact CD2-CD1 3.76Å; L154-L198 HydrophobicContact CD2-CD2 3.81Å; L154-L198 HydrophobicContact CD2-CG 4.46Å; L154-L198 HydrophobicContact CG-CD1 4.23Å; Y157-L198 HydrophobicContact CD2-CB 3.94Å; Y157-L198 HydrophobicContact CE2-CB 4.18Å; Y157-L198 HydrophobicContact CG-CB 4.3Å; Y157-L198 HydrophobicContact CG-CD1 4.14Å; F194-L198 WeakPolarHBondContact O-CG 3.28Å; F194-L198 PolarHBondContact O-N 2.86Å; L198-I201 HydrophobicContact CD2-CD1 3.76Å
199	K	86.5	Confident	94.4	Very high	129 Å²	129	62.4 Å²	62.4	56%	0.561	31%	0.311	S	S	*	.			trans	-131.8	143.4	173	-69.6	174.6	-178.5	137.2	0	110.7	K196 D197 I201	K196-K199 WeakPolarHBondContact O-CE 3.34Å; K196-K199 PolarHBondContact O-NZ 2.77Å; K196-K199 VanDerWaalsContact O-NZ 3.13Å; D197-K199 PolarHBondContact O-N 3.38Å; K199-I201 PolarHBondContact O-N 2.91Å
200	D	86.7	Confident	94.5	Very high	150 Å²	150	54.7 Å²	54.7	80%	0.802	28%	0.282	S	S	*	.	S	Bend	trans	58.8	11.3	172.1	-49.5	-47.8	0	0	0	115.5
201	I	93.7	Very high	94.5	Very high	48 Å²	48	52.5 Å²	52.5	25%	0.246	27%	0.272	C	S	.	.			trans	-82.1	135	175.7	-68.9	165.7	0	0	0	109.8	Y157 L198 K199 H205 A206	Y157-I201 HydrophobicContact CE1-CB 4.29Å; Y157-I201 HydrophobicContact CE1-CG2 4.48Å; Y157-I201 WeakPolarHBondContact CE1-O 3.37Å; Y157-I201 PolarHBondContact OH-N 2.77Å; Y157-I201 PolarHBondContact OH-O 2.86Å; L198-I201 HydrophobicContact CD2-CD1 3.76Å; K199-I201 PolarHBondContact O-N 2.91Å; I201-H205 HydrophobicContact CG2-CB 3.9Å; I201-A206 HydrophobicContact CG2-CB 4.18Å
202	T	94.7	Very high	94.6	Very high	91 Å²	91	54.2 Å²	54.2	56%	0.558	28%	0.284	S	S	*	.			trans	-71.1	151.3	177.2	69	0	0	0	0	111.7	S204 H205 A206	T202-S204 VanDerWaalsContact C-N 3.26Å; T202-S204 PolarHBondContact O-N 3.29Å; T202-H205 PolarHBondContact O-N 2.85Å; T202-H205 WeakPolarHBondContact OG1-CB 3.5Å; T202-H205 PolarHBondContact OG1-N 3.02Å; T202-A206 PolarHBondContact O-N 3.2Å
203	T	94.9	Very high	94.6	Very high	76 Å²	76	54.7 Å²	54.7	47%	0.466	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-33.3	177.5	52.6	0	0	0	0	112.5	K207	T203-K207 WeakPolarHBondContact O-CB 3.4Å; T203-K207 VanDerWaalsContact O-CG 3.24Å; T203-K207 WeakPolarHBondContact O-CG 3.28Å; T203-K207 PolarHBondContact O-N 2.88Å
204	S	94.6	Very high	94.6	Very high	36 Å²	36	51.9 Å²	51.9	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-38.2	171.4	-65.5	0	0	0	0	112.7	E120 T202 Y208	E120-S204 WeakPolarHBondContact OE1-CB 3.46Å; E120-S204 PolarHBondContact OE1-OG 3.36Å; T202-S204 VanDerWaalsContact C-N 3.26Å; T202-S204 PolarHBondContact O-N 3.29Å; S204-Y208 PolarHBondContact O-N 3.19Å; S204-Y208 VanDerWaalsContact O-N 3.15Å
205	H	95.7	Very high	94.5	Very high	100 Å²	100	50.3 Å²	50.3	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-45.8	175.7	-169.9	97.1	0	0	0	111.5	I201 T202 K207 Y208 E209	I201-H205 HydrophobicContact CG2-CB 3.9Å; T202-H205 PolarHBondContact O-N 2.85Å; T202-H205 WeakPolarHBondContact OG1-CB 3.5Å; T202-H205 PolarHBondContact OG1-N 3.02Å; H205-K207 VanDerWaalsContact C-N 3.3Å; H205-K207 PolarHBondContact O-N 2.93Å; H205-Y208 CarbonylContact O-C 3.58Å; H205-Y208 WeakPolarHBondContact O-CA 3.32Å; H205-Y208 WeakPolarHBondContact O-CB 3.42Å; H205-Y208 PolarHBondContact O-N 3.03Å; H205-E209 PolarHBondContact O-N 3.16Å
206	A	96.6	Very high	94.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-36.6	176.6	0	0	0	0	0	112.6	L154 Y157 I158 I201 T202 L210	L154-A206 HydrophobicContact CD2-CB 4.14Å; Y157-A206 HydrophobicContact CD1-CB 3.89Å; Y157-A206 HydrophobicContact CE1-CB 4.2Å; I158-A206 HydrophobicContact CD1-CB 4.04Å; I158-A206 HydrophobicContact CG1-CB 3.7Å; I201-A206 HydrophobicContact CG2-CB 4.18Å; T202-A206 PolarHBondContact O-N 3.2Å; A206-L210 WeakPolarHBondContact O-CB 3.47Å; A206-L210 PolarHBondContact O-N 3.13Å
207	K	97.1	Very high	94.3	Very high	33 Å²	33	57.6 Å²	57.6	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-44.2	170	-74.9	173.9	-173.5	-178	0	111.6	H124 Y127 I158 T203 H205 L211	H124-K207 PolarHBondContact ND1-NZ 2.81Å; Y127-K207 HydrophobicContact CD1-CD 4.45Å; Y127-K207 HydrophobicContact CD1-CG 4.24Å; Y127-K207 HydrophobicContact CD2-CB 4.32Å; Y127-K207 HydrophobicContact CD2-CG 3.94Å; Y127-K207 HydrophobicContact CE2-CG 4.36Å; Y127-K207 HydrophobicContact CG-CB 4.39Å; Y127-K207 HydrophobicContact CG-CD 4.41Å; Y127-K207 HydrophobicContact CG-CG 3.89Å; I158-K207 HydrophobicContact CD1-CG 4.06Å; I158-K207 HydrophobicContact CG2-CG 4.32Å; T203-K207 WeakPolarHBondContact O-CB 3.4Å; T203-K207 VanDerWaalsContact O-CG 3.24Å; T203-K207 WeakPolarHBondContact O-CG 3.28Å; T203-K207 PolarHBondContact O-N 2.88Å; H205-K207 VanDerWaalsContact C-N 3.3Å; H205-K207 PolarHBondContact O-N 2.93Å; K207-L211 WeakPolarHBondContact O-CB 3.49Å; K207-L211 VanDerWaalsContact O-CG 3.27Å; K207-L211 WeakPolarHBondContact O-CG 3.43Å; K207-L211 PolarHBondContact O-N 2.87Å; K207-L211 VanDerWaalsContact O-N 3.09Å
208	Y	96.9	Very high	94.3	Very high	73 Å²	73	52.8 Å²	52.8	29%	0.286	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-42.7	178.7	179.3	-88.6	0	0	0	112.3	P114 S204 H205 L211 S212	P114-Y208 HydrophobicContact CB-CD2 4.13Å; P114-Y208 HydrophobicContact CB-CE2 3.92Å; S204-Y208 PolarHBondContact O-N 3.19Å; S204-Y208 VanDerWaalsContact O-N 3.15Å; H205-Y208 CarbonylContact O-C 3.58Å; H205-Y208 WeakPolarHBondContact O-CA 3.32Å; H205-Y208 WeakPolarHBondContact O-CB 3.42Å; H205-Y208 PolarHBondContact O-N 3.03Å; Y208-L211 PolarHBondContact O-N 2.95Å; Y208-S212 WeakPolarHBondContact O-CB 3.33Å; Y208-S212 PolarHBondContact O-N 2.9Å
209	E	96.4	Very high	94.1	Very high	44 Å²	44	55.8 Å²	55.8	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-49.9	176	-170.5	-165	145.6	0	0	111	H150 L154 H205 L211 S212 I213	H150-E209 IonicContact CD2-OE1 3.82Å; H150-E209 IonicContact CE1-OE1 3.62Å; H150-E209 IonicContact NE2-OE1 2.76Å; H150-E209 PolarHBondContact NE2-OE1 2.85Å; L154-E209 HydrophobicContact CD1-CB 4.44Å; L154-E209 HydrophobicContact CD1-CG 4.18Å; H205-E209 PolarHBondContact O-N 3.16Å; E209-L211 VanDerWaalsContact C-N 3.33Å; E209-L211 PolarHBondContact O-N 2.69Å; E209-S212 PolarHBondContact O-N 2.65Å; E209-S212 VanDerWaalsContact O-N 3.12Å; E209-I213 HydrophobicContact CG-CD1 4.15Å; E209-I213 WeakPolarHBondContact O-CG1 3.33Å; E209-I213 PolarHBondContact O-N 2.94Å
210	L	97.2	Very high	94.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-48.5	176.1	-175.7	151.6	0	0	0	111.3	Y127 V130 L151 L154 M155 I158 A206 S212 I213 V214	Y127-L210 HydrophobicContact CD2-CD1 4.39Å; Y127-L210 HydrophobicContact CD2-CD2 4.21Å; Y127-L210 HydrophobicContact CE2-CD1 4.05Å; V130-L210 HydrophobicContact CG1-CD2 3.84Å; L151-L210 HydrophobicContact CD2-CD1 4.47Å; L151-L210 HydrophobicContact CD2-CG 3.81Å; L154-L210 HydrophobicContact CB-CB 4.34Å; L154-L210 HydrophobicContact CB-CD1 4.01Å; L154-L210 HydrophobicContact CD1-CB 3.92Å; M155-L210 HydrophobicContact CG-CD1 3.56Å; I158-L210 HydrophobicContact CD1-CD1 4.47Å; A206-L210 WeakPolarHBondContact O-CB 3.47Å; A206-L210 PolarHBondContact O-N 3.13Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 2.81Å; L210-I213 PolarHBondContact O-N 3.3Å; L210-V214 HydrophobicContact CD2-CG2 4.32Å; L210-V214 WeakPolarHBondContact O-CG2 3.38Å; L210-V214 PolarHBondContact O-N 2.89Å
211	L	97.2	Very high	94.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-41.2	177.3	-75.7	174.4	0	0	0	112	P114 R123 F126 V130 K207 Y208 E209 V214 S215	P114-L211 HydrophobicContact CB-CB 3.95Å; P114-L211 HydrophobicContact CG-CB 3.64Å; R123-L211 HydrophobicContact CG-CD1 3.78Å; F126-L211 HydrophobicContact CB-CD1 4.15Å; F126-L211 HydrophobicContact CB-CD2 4.24Å; V130-L211 HydrophobicContact CB-CD2 4.08Å; V130-L211 HydrophobicContact CG2-CD2 3.58Å; K207-L211 WeakPolarHBondContact O-CB 3.49Å; K207-L211 VanDerWaalsContact O-CG 3.27Å; K207-L211 WeakPolarHBondContact O-CG 3.43Å; K207-L211 PolarHBondContact O-N 2.87Å; K207-L211 VanDerWaalsContact O-N 3.09Å; Y208-L211 PolarHBondContact O-N 2.95Å; E209-L211 VanDerWaalsContact C-N 3.33Å; E209-L211 PolarHBondContact O-N 2.69Å; L211-V214 PolarHBondContact O-N 2.9Å; L211-S215 WeakPolarHBondContact O-CB 3.37Å; L211-S215 PolarHBondContact O-N 3.14Å; L211-S215 PolarHBondContact O-OG 3.41Å
212	S	96.5	Very high	94.6	Very high	36 Å²	36	41.9 Å²	41.9	25%	0.252	22%	0.215	S	C	.	.	H	α-helix	trans	-73.4	-25.3	-179.3	-175.1	0	0	0	0	114	Y208 E209 L210 R216	Y208-S212 WeakPolarHBondContact O-CB 3.33Å; Y208-S212 PolarHBondContact O-N 2.9Å; E209-S212 PolarHBondContact O-N 2.65Å; E209-S212 VanDerWaalsContact O-N 3.12Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 2.81Å; S212-R216 WeakPolarHBondContact O-CB 3.4Å
213	I	95.8	Very high	94.5	Very high	19 Å²	19	38 Å²	38	10%	0.097	19%	0.192	C	C	.	.	H	α-helix	trans	-72.3	-50.4	168.5	-68.4	166.6	0	0	0	108.5	T147 H150 L151 L154 E209 L210 S215 R216 E217	T147-I213 HydrophobicContact CG2-CG2 3.86Å; H150-I213 WeakPolarHBondContact CD2-CD1 3.38Å; L151-I213 HydrophobicContact CD2-CB 4.22Å; L151-I213 HydrophobicContact CD2-CG2 3.94Å; L151-I213 HydrophobicContact CG-CG2 4.38Å; L154-I213 HydrophobicContact CD1-CD1 3.89Å; E209-I213 HydrophobicContact CG-CD1 4.15Å; E209-I213 WeakPolarHBondContact O-CG1 3.33Å; E209-I213 PolarHBondContact O-N 2.94Å; L210-I213 PolarHBondContact O-N 3.3Å; I213-S215 PolarHBondContact O-N 3.02Å; I213-R216 PolarHBondContact O-N 3.21Å; I213-E217 HydrophobicContact CG2-CG 4.01Å; I213-E217 WeakPolarHBondContact O-CB 3.45Å; I213-E217 WeakPolarHBondContact O-CG 3.47Å; I213-E217 PolarHBondContact O-N 3.35Å
214	V	95.4	Very high	94.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-43.1	-176.8	179.6	0	0	0	0	111.9	V130 L134 W139 L151 L210 L211 R216 F218 Y221	V130-V214 HydrophobicContact CG1-CB 4.12Å; V130-V214 HydrophobicContact CG1-CG1 3.94Å; V130-V214 HydrophobicContact CG1-CG2 3.87Å; L134-V214 HydrophobicContact CD1-CG2 4.22Å; W139-V214 HydrophobicContact CE3-CG1 3.88Å; W139-V214 HydrophobicContact CZ3-CG1 3.73Å; L151-V214 HydrophobicContact CD1-CG2 4.01Å; L151-V214 HydrophobicContact CD2-CG2 3.65Å; L210-V214 HydrophobicContact CD2-CG2 4.32Å; L210-V214 WeakPolarHBondContact O-CG2 3.38Å; L210-V214 PolarHBondContact O-N 2.89Å; L211-V214 PolarHBondContact O-N 2.9Å; V214-R216 PolarHBondContact O-N 3.41Å; V214-R216 VanDerWaalsContact O-N 3.12Å; V214-F218 HydrophobicContact CB-CD2 4.2Å; V214-F218 HydrophobicContact CG1-CB 4.17Å; V214-F218 HydrophobicContact CG1-CD2 3.98Å; V214-F218 HydrophobicContact CG1-CG 4.01Å; V214-F218 HydrophobicContact CG2-CD2 4.32Å; V214-F218 HydrophobicContact CG2-CE2 4.15Å; V214-F218 WeakPolarHBondContact O-CB 3.37Å; V214-F218 PolarHBondContact O-N 2.8Å; V214-F218 VanDerWaalsContact O-N 3.17Å; V214-Y221 HydrophobicContact CG1-CD2 3.95Å
215	S	94.6	Very high	94.3	Very high	13 Å²	13	38.1 Å²	38.1	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-72.8	-1	-179.3	75.8	0	0	0	0	115.1	Q113 P114 L211 I213	Q113-S215 PolarHBondContact NE2-O 3.26Å; Q113-S215 PolarHBondContact OE1-OG 2.63Å; P114-S215 WeakPolarHBondContact CD-OG 3.32Å; L211-S215 WeakPolarHBondContact O-CB 3.37Å; L211-S215 PolarHBondContact O-N 3.14Å; L211-S215 PolarHBondContact O-OG 3.41Å; I213-S215 PolarHBondContact O-N 3.02Å
216	R	93.4	Very high	94.3	Very high	156 Å²	156	34.5 Å²	34.5	59%	0.589	16%	0.163	S	C	*	.	H	α-helix	trans	-113.3	-47.3	175.4	-173.6	-178.2	68.8	-121	-2	112.4	S212 I213 V214	S212-R216 WeakPolarHBondContact O-CB 3.4Å; I213-R216 PolarHBondContact O-N 3.21Å; V214-R216 PolarHBondContact O-N 3.41Å; V214-R216 VanDerWaalsContact O-N 3.12Å
217	E	91.7	Very high	94.2	Very high	86 Å²	86	40.8 Å²	40.8	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-87.7	-11.5	-173.2	-51.2	-57.5	159.2	0	0	113.9	T147 I213	T147-E217 HydrophobicContact CG2-CB 4.28Å; T147-E217 HydrophobicContact CG2-CG 4.27Å; I213-E217 HydrophobicContact CG2-CG 4.01Å; I213-E217 WeakPolarHBondContact O-CB 3.45Å; I213-E217 WeakPolarHBondContact O-CG 3.47Å; I213-E217 PolarHBondContact O-N 3.35Å
218	F	91.7	Very high	94.2	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.039	19%	0.191	C	C	.	.			trans	-117.2	105	-174.3	-66.6	-116.1	0	0	0	111.7	L134 W139 T143 T147 L151 V214 S220 Y221	L134-F218 HydrophobicContact CD2-CE1 3.74Å; L134-F218 HydrophobicContact CD2-CZ 4.01Å; W139-F218 HydrophobicContact CB-CD1 3.94Å; W139-F218 WeakPolarHBondContact O-CD1 3.48Å; T143-F218 HydrophobicContact CG2-CE1 3.84Å; T143-F218 HydrophobicContact CG2-CE2 4.16Å; T143-F218 HydrophobicContact CG2-CZ 3.4Å; T143-F218 WeakPolarHBondContact OG1-CE1 3.32Å; T147-F218 HydrophobicContact CG2-CE2 3.98Å; T147-F218 HydrophobicContact CG2-CZ 4.5Å; L151-F218 HydrophobicContact CD1-CE2 3.65Å; L151-F218 HydrophobicContact CD1-CZ 3.44Å; L151-F218 VanDerWaalsContact CD1-CZ 3.44Å; V214-F218 HydrophobicContact CB-CD2 4.2Å; V214-F218 HydrophobicContact CG1-CB 4.17Å; V214-F218 HydrophobicContact CG1-CD2 3.98Å; V214-F218 HydrophobicContact CG1-CG 4.01Å; V214-F218 HydrophobicContact CG2-CD2 4.32Å; V214-F218 HydrophobicContact CG2-CE2 4.15Å; V214-F218 WeakPolarHBondContact O-CB 3.37Å; V214-F218 PolarHBondContact O-N 2.8Å; V214-F218 VanDerWaalsContact O-N 3.17Å; F218-S220 PolarHBondContact O-N 3.28Å; F218-Y221 WeakPolarHBondContact O-CB 3.4Å; F218-Y221 PolarHBondContact O-N 3.13Å
219	P	87.7	Confident	94.2	Very high	72 Å²	72	39.2 Å²	39.2	47%	0.468	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.4	173.8	-24.2	34.4	0	0	0	114.9	T223	P219-T223 PolarHBondContact O-OG1 3.12Å
220	S	90.5	Very high	94	Very high	12 Å²	12	38.7 Å²	38.7	8%	0.084	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.7	176	-62.5	0	0	0	0	114	W139 F218 G222 T223	W139-S220 PolarHBondContact NE1-O 3.07Å; W139-S220 VanDerWaalsContact NE1-O 3.11Å; F218-S220 PolarHBondContact O-N 3.28Å; S220-G222 PolarHBondContact O-N 3.37Å; S220-G222 VanDerWaalsContact O-N 3.09Å; S220-T223 WeakPolarHBondContact O-CB 3.29Å; S220-T223 PolarHBondContact O-N 3.27Å
221	Y	94.2	Very high	93.7	Very high	17 Å²	17	44.3 Å²	44.3	7%	0.067	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	112.9	179.1	179	-99.9	0	0	0	110.8	F111 V112 V130 W139 V214 F218 T223	F111-Y221 HydrophobicContact CB-CD1 4.39Å; F111-Y221 HydrophobicContact CB-CE1 3.88Å; F111-Y221 HydrophobicContact CB-CE2 4.48Å; F111-Y221 HydrophobicContact CD1-CD2 4.33Å; F111-Y221 AromaticContact CD1-CE2 3.72Å; F111-Y221 HydrophobicContact CD1-CE2 3.72Å; F111-Y221 AromaticContact CD1-CZ 3.88Å; F111-Y221 HydrophobicContact CE1-CE2 4.46Å; V112-Y221 PolarHBondContact O-OH 2.94Å; V130-Y221 HydrophobicContact CG2-CD2 4.4Å; V130-Y221 HydrophobicContact CG2-CE2 3.92Å; W139-Y221 AromaticContact CH2-CD2 3.85Å; W139-Y221 HydrophobicContact CH2-CD2 3.85Å; W139-Y221 HydrophobicContact CH2-CE2 4.5Å; W139-Y221 AromaticContact CZ3-CD2 3.88Å; W139-Y221 HydrophobicContact CZ3-CD2 3.88Å; V214-Y221 HydrophobicContact CG1-CD2 3.95Å; F218-Y221 WeakPolarHBondContact O-CB 3.4Å; F218-Y221 PolarHBondContact O-N 3.13Å; Y221-T223 VanDerWaalsContact C-N 3.31Å
222	G	92.7	Very high	93.5	Very high	6 Å²	6	51 Å²	51	6%	0.062	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	3.9	-175.7	0	0	0	0	0	116	S220	S220-G222 PolarHBondContact O-N 3.37Å; S220-G222 VanDerWaalsContact O-N 3.09Å
223	T	93.8	Very high	93.3	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.055	26%	0.261	C	S	.	.			trans	-90.7	125.2	-175.1	-58.4	0	0	0	0	112.2	P219 S220 Y221 F225 V240 S241 V246	P219-T223 PolarHBondContact O-OG1 3.12Å; S220-T223 WeakPolarHBondContact O-CB 3.29Å; S220-T223 PolarHBondContact O-N 3.27Å; Y221-T223 VanDerWaalsContact C-N 3.31Å; T223-F225 HydrophobicContact CG2-CD1 4.35Å; T223-F225 HydrophobicContact CG2-CD2 4.34Å; T223-F225 HydrophobicContact CG2-CE1 3.83Å; T223-F225 HydrophobicContact CG2-CE2 3.82Å; T223-F225 HydrophobicContact CG2-CZ 3.54Å; T223-V240 CarbonylContact C-O 3.6Å; T223-V240 WeakPolarHBondContact CA-O 3.47Å; T223-S241 WeakPolarHBondContact OG1-CB 3.34Å; T223-V246 HydrophobicContact CG2-CG1 4.13Å
224	Y	92.7	Very high	93.3	Very high	42 Å²	42	61 Å²	61	17%	0.165	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	106.6	177	-66.2	-70	0	0	0	111.9	W85 V108 K109 G239 V240 T303	W85-Y224 AromaticContact CZ2-CE1 3.73Å; W85-Y224 HydrophobicContact CZ2-CE1 3.73Å; W85-Y224 AromaticContact CZ2-CZ 3.8Å; W85-Y224 VanDerWaalsContact CZ2-OH 3.32Å; W85-Y224 WeakPolarHBondContact CZ2-OH 3.47Å; W85-Y224 AromaticContact NE1-CE1 3.69Å; W85-Y224 AromaticContact NE1-CZ 3.92Å; V108-Y224 PolarHBondContact O-OH 3.06Å; K109-Y224 VanDerWaalsContact C-OH 3.28Å; K109-Y224 WeakPolarHBondContact CA-OH 3.49Å; K109-Y224 PolarHBondContact O-OH 2.75Å; Y224-G239 CarbonylContact O-C 3.56Å; Y224-G239 WeakPolarHBondContact O-CA 3.44Å; Y224-V240 PolarHBondContact N-O 3.37Å; Y224-V240 PolarHBondContact O-N 3.04Å; Y224-T303 HydrophobicContact CD2-CG2 3.9Å; Y224-T303 HydrophobicContact CG-CG2 4.2Å
225	F	93.1	Very high	93.3	Very high	74 Å²	74	68.1 Å²	68.1	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.1	178.3	-63.2	-77.7	0	0	0	113.1	T223 L237 L238 V246	T223-F225 HydrophobicContact CG2-CD1 4.35Å; T223-F225 HydrophobicContact CG2-CD2 4.34Å; T223-F225 HydrophobicContact CG2-CE1 3.83Å; T223-F225 HydrophobicContact CG2-CE2 3.82Å; T223-F225 HydrophobicContact CG2-CZ 3.54Å; F225-L237 HydrophobicContact CD1-CB 4.44Å; F225-L238 CarbonylContact C-O 3.59Å; F225-L238 WeakPolarHBondContact CA-O 3.29Å; F225-V246 HydrophobicContact CE1-CG1 4.25Å
226	Y	94.5	Very high	93.4	Very high	23 Å²	23	68.3 Å²	68.3	9%	0.09	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.2	175.1	-70.9	-96.3	0	0	0	110.6	V228 L237 L238 L291 L296 S299 L300 T303	Y226-V228 PolarHBondContact O-N 3.02Å; Y226-L237 WeakPolarHBondContact O-CA 3.47Å; Y226-L238 PolarHBondContact N-O 3.4Å; Y226-L238 PolarHBondContact O-N 3.16Å; Y226-L291 HydrophobicContact CD1-CD2 4.16Å; Y226-L296 HydrophobicContact CD1-CD2 4.37Å; Y226-L296 HydrophobicContact CE1-CD2 4.37Å; Y226-S299 PolarHBondContact OH-OG 3.42Å; Y226-L300 HydrophobicContact CD1-CB 4.1Å; Y226-L300 HydrophobicContact CD2-CB 4.42Å; Y226-L300 HydrophobicContact CD2-CD1 3.56Å; Y226-L300 HydrophobicContact CE1-CB 4.1Å; Y226-L300 HydrophobicContact CE2-CB 4.4Å; Y226-L300 HydrophobicContact CE2-CD1 3.86Å; Y226-L300 HydrophobicContact CG-CB 4.26Å; Y226-L300 HydrophobicContact CG-CD1 3.98Å; Y226-T303 HydrophobicContact CE2-CG2 4.39Å; Y226-T303 PolarHBondContact OH-OG1 3.36Å
227	D	94.6	Very high	93.5	Very high	132 Å²	132	62.9 Å²	62.9	71%	0.706	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	115.9	168.2	-79.3	-50	0	0	0	110.2
228	V	96.5	Very high	93.7	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.7	179	-56	0	0	0	0	112	Y226 K235 L236 L238 Y289 Q290 L291 L300	Y226-V228 PolarHBondContact O-N 3.02Å; V228-K235 WeakPolarHBondContact O-CA 3.12Å; V228-L236 HydrophobicContact CG2-CB 3.93Å; V228-L236 WeakPolarHBondContact CG2-O 3.32Å; V228-L236 PolarHBondContact N-O 3.13Å; V228-L236 PolarHBondContact O-N 2.76Å; V228-L236 VanDerWaalsContact O-O 3.05Å; V228-L238 HydrophobicContact CG1-CB 3.82Å; V228-L238 HydrophobicContact CG2-CB 4.01Å; V228-Y289 HydrophobicContact CB-CD1 4.14Å; V228-Y289 HydrophobicContact CG2-CD1 3.67Å; V228-Y289 HydrophobicContact CG2-CE1 4.31Å; V228-Q290 CarbonylContact C-O 3.58Å; V228-L291 HydrophobicContact CG1-CD1 4.14Å; V228-L291 HydrophobicContact CG1-CD2 4.34Å; V228-L291 HydrophobicContact CG1-CG 4.03Å; V228-L300 HydrophobicContact CG1-CD2 4.41Å
229	K	96.8	Very high	93.8	Very high	68 Å²	68	58.3 Å²	58.3	30%	0.296	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.3	167.9	-73.7	174.1	144	-151	0	109.2	D233 R234 Y289 Q290	K229-D233 VanDerWaalsContact CD-OD1 3.32Å; K229-D233 WeakPolarHBondContact CD-OD1 3.42Å; K229-D233 VanDerWaalsContact CE-OD1 3.28Å; K229-D233 WeakPolarHBondContact CE-OD1 3.3Å; K229-D233 IonicContact NZ-OD1 2.77Å; K229-D233 PolarHBondContact NZ-OD1 3.07Å; K229-D233 IonicContact NZ-OD2 2.76Å; K229-D233 PolarHBondContact NZ-OD2 3.19Å; K229-R234 WeakPolarHBondContact CA-O 3.33Å; K229-Y289 CarbonylContact O-C 3.58Å; K229-Y289 WeakPolarHBondContact O-CA 3.32Å; K229-Q290 HydrophobicContact CB-CB 4.37Å; K229-Q290 PolarHBondContact N-O 2.83Å; K229-Q290 PolarHBondContact O-N 3.49Å
230	N	93.6	Very high	94.3	Very high	33 Å²	33	54.9 Å²	54.9	18%	0.176	26%	0.256	C	S	.	.			trans	-84.6	179.7	171.9	73.1	5.6	0	0	0	111.8	F232 D233 R234 L236	N230-F232 PolarHBondContact O-N 2.75Å; N230-F232 WeakPolarHBondContact OD1-CA 3.46Å; N230-F232 WeakPolarHBondContact OD1-CB 3.43Å; N230-F232 PolarHBondContact OD1-N 2.95Å; N230-D233 PolarHBondContact O-N 3.41Å; N230-R234 PolarHBondContact N-O 3.14Å; N230-R234 WeakPolarHBondContact OD1-CB 3.32Å; N230-R234 PolarHBondContact OD1-N 3.11Å; N230-R234 VanDerWaalsContact OD1-N 3.13Å; N230-L236 HydrophobicContact CB-CD1 4.09Å
231	I	91.3	Very high	94.4	Very high	119 Å²	119	54.8 Å²	54.8	61%	0.61	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-10.9	177.7	64.4	174.8	0	0	0	115.2	N288	I231-N288 HydrophobicContact CG2-CB 3.83Å
232	F	93.1	Very high	94.4	Very high	141 Å²	141	55.1 Å²	55.1	62%	0.618	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	19.4	177	-53.2	-69.3	0	0	0	112.3	N230 R234	N230-F232 PolarHBondContact O-N 2.75Å; N230-F232 WeakPolarHBondContact OD1-CA 3.46Å; N230-F232 WeakPolarHBondContact OD1-CB 3.43Å; N230-F232 PolarHBondContact OD1-N 2.95Å; F232-R234 HydrophobicContact CB-CG 4.19Å; F232-R234 PolarHBondContact O-N 3.42Å
233	D	92.2	Very high	94.4	Very high	94 Å²	94	58.5 Å²	58.5	50%	0.503	28%	0.283	S	S	.	.			trans	56.4	10.2	-174.5	-152	55.5	0	0	0	115.9	K229 N230 K235	K229-D233 VanDerWaalsContact CD-OD1 3.32Å; K229-D233 WeakPolarHBondContact CD-OD1 3.42Å; K229-D233 VanDerWaalsContact CE-OD1 3.28Å; K229-D233 WeakPolarHBondContact CE-OD1 3.3Å; K229-D233 IonicContact NZ-OD1 2.77Å; K229-D233 PolarHBondContact NZ-OD1 3.07Å; K229-D233 IonicContact NZ-OD2 2.76Å; K229-D233 PolarHBondContact NZ-OD2 3.19Å; N230-D233 PolarHBondContact O-N 3.41Å; D233-K235 PolarHBondContact O-N 3.48Å
234	R	94.9	Very high	94.4	Very high	169 Å²	169	59.4 Å²	59.4	64%	0.638	29%	0.287	S	S	*	.			trans	-71.2	125.9	-179.4	-58.8	-176.3	-174.9	178.4	0.9	109.4	K229 N230 F232	K229-R234 WeakPolarHBondContact CA-O 3.33Å; N230-R234 PolarHBondContact N-O 3.14Å; N230-R234 WeakPolarHBondContact OD1-CB 3.32Å; N230-R234 PolarHBondContact OD1-N 3.11Å; N230-R234 VanDerWaalsContact OD1-N 3.13Å; F232-R234 HydrophobicContact CB-CG 4.19Å; F232-R234 PolarHBondContact O-N 3.42Å
235	K	95.9	Very high	94.6	Very high	150 Å²	150	57.4 Å²	57.4	65%	0.652	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.3	172.7	-64.8	-176	-178.5	-177.2	0	110.3	V228 D233 S250	V228-K235 WeakPolarHBondContact O-CA 3.12Å; D233-K235 PolarHBondContact O-N 3.48Å; K235-S250 WeakPolarHBondContact CB-OG 3.19Å; K235-S250 PolarHBondContact O-OG 3.17Å
236	L	96.3	Very high	94.7	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.094	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.1	-179.5	-61.6	173.8	0	0	0	108.6	V228 N230 L247 C248 I255	V228-L236 HydrophobicContact CG2-CB 3.93Å; V228-L236 WeakPolarHBondContact CG2-O 3.32Å; V228-L236 PolarHBondContact N-O 3.13Å; V228-L236 PolarHBondContact O-N 2.76Å; V228-L236 VanDerWaalsContact O-O 3.05Å; N230-L236 HydrophobicContact CB-CD1 4.09Å; L236-L247 HydrophobicContact CB-CD1 4.09Å; L236-L247 HydrophobicContact CD1-CD1 4Å; L236-L247 HydrophobicContact CD1-CD2 4.28Å; L236-L247 HydrophobicContact CD1-CG 4.43Å; L236-C248 WeakPolarHBondContact CB-O 3.47Å; L236-I255 HydrophobicContact CD2-CD1 3.6Å
237	L	94.9	Very high	94.8	Very high	41 Å²	41	53.7 Å²	53.7	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.3	171.9	-71.6	167.9	0	0	0	108.3	F225 Y226 C248	F225-L237 HydrophobicContact CD1-CB 4.44Å; Y226-L237 WeakPolarHBondContact O-CA 3.47Å; L237-C248 HydrophobicContact CB-CB 4.09Å; L237-C248 PolarHBondContact N-O 3.4Å; L237-C248 PolarHBondContact O-N 2.98Å
238	L	96.4	Very high	94.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	111.8	172.3	-165	74.4	0	0	0	108.8	F225 Y226 V228 I245 L247 L275 L300	F225-L238 CarbonylContact C-O 3.59Å; F225-L238 WeakPolarHBondContact CA-O 3.29Å; Y226-L238 PolarHBondContact N-O 3.4Å; Y226-L238 PolarHBondContact O-N 3.16Å; V228-L238 HydrophobicContact CG1-CB 3.82Å; V228-L238 HydrophobicContact CG2-CB 4.01Å; L238-I245 HydrophobicContact CD1-CG2 3.69Å; L238-I245 HydrophobicContact CD2-CG2 4.15Å; L238-I245 HydrophobicContact CG-CG2 3.77Å; L238-L247 HydrophobicContact CD1-CB 4.4Å; L238-L247 HydrophobicContact CD1-CD1 3.86Å; L238-L275 HydrophobicContact CD1-CD1 4.5Å; L238-L275 HydrophobicContact CD2-CD1 4.43Å; L238-L300 HydrophobicContact CD2-CD1 4.1Å; L238-L300 HydrophobicContact CD2-CD2 3.86Å
239	G	95.2	Very high	94.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.4	176.4	0	0	0	0	0	111.4	Y224 I245 V246	Y224-G239 CarbonylContact O-C 3.56Å; Y224-G239 WeakPolarHBondContact O-CA 3.44Å; G239-I245 CarbonylContact O-C 3.54Å; G239-I245 WeakPolarHBondContact O-CA 3.36Å; G239-I245 WeakPolarHBondContact O-CG2 3.46Å; G239-V246 PolarHBondContact N-O 3.47Å; G239-V246 PolarHBondContact O-N 2.82Å
240	V	96.5	Very high	94	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.4	171.9	-170.8	0	0	0	0	108.1	T223 Y224 F260 L300 T303 I304 V307	T223-V240 CarbonylContact C-O 3.6Å; T223-V240 WeakPolarHBondContact CA-O 3.47Å; Y224-V240 PolarHBondContact N-O 3.37Å; Y224-V240 PolarHBondContact O-N 3.04Å; V240-F260 HydrophobicContact CG1-CZ 4.43Å; V240-L300 HydrophobicContact CG2-CD1 3.77Å; V240-T303 HydrophobicContact CB-CG2 4.2Å; V240-T303 HydrophobicContact CG1-CG2 4.24Å; V240-T303 HydrophobicContact CG2-CG2 4.33Å; V240-I304 HydrophobicContact CB-CG1 4.35Å; V240-I304 HydrophobicContact CG1-CB 4.49Å; V240-I304 HydrophobicContact CG1-CG1 3.87Å; V240-I304 HydrophobicContact CG2-CD1 4.18Å; V240-I304 HydrophobicContact CG2-CG1 3.5Å; V240-I304 VanDerWaalsContact CG2-CG1 3.5Å; V240-V307 HydrophobicContact CG1-CB 4.11Å; V240-V307 HydrophobicContact CG1-CG1 4.22Å; V240-V307 HydrophobicContact CG1-CG2 4.28Å
241	S	93.8	Very high	93.5	Very high	10 Å²	10	54.6 Å²	54.6	7%	0.07	28%	0.284	C	S	.	.			trans	-100.7	169.3	179	90.6	0	0	0	0	111.2	T223 S243 D244 F260 V307	T223-S241 WeakPolarHBondContact OG1-CB 3.34Å; S241-S243 PolarHBondContact O-N 3.21Å; S241-S243 VanDerWaalsContact O-N 3.16Å; S241-S243 PolarHBondContact OG-N 2.84Å; S241-D244 WeakPolarHBondContact CB-OD1 3.35Å; S241-D244 PolarHBondContact N-O 3.44Å; S241-D244 PolarHBondContact OG-N 2.99Å; S241-D244 PolarHBondContact OG-O 2.78Å; S241-D244 VanDerWaalsContact OG-O 3.07Å; S241-D244 PolarHBondContact OG-OD1 2.8Å; S241-F260 WeakPolarHBondContact O-CE2 3.29Å; S241-F260 WeakPolarHBondContact O-CZ 3.41Å; S241-V307 WeakPolarHBondContact O-CG1 3.45Å
242	P	93.9	Very high	93.1	Very high	24 Å²	24	49.9 Å²	49.9	16%	0.156	26%	0.264	C	S	.	.	S	Bend	trans	-59.7	-17.6	173.1	-26.9	37.2	0	0	0	115.4	F311 Q312	P242-F311 HydrophobicContact CB-CD1 4.05Å; P242-F311 HydrophobicContact CB-CD2 3.79Å; P242-F311 HydrophobicContact CB-CE1 4.04Å; P242-F311 HydrophobicContact CB-CE2 3.78Å; P242-F311 HydrophobicContact CB-CG 3.92Å; P242-F311 HydrophobicContact CB-CZ 3.9Å; P242-F311 HydrophobicContact CG-CD2 4.45Å; P242-F311 HydrophobicContact CG-CE1 4.49Å; P242-F311 HydrophobicContact CG-CE2 3.96Å; P242-F311 HydrophobicContact CG-CZ 3.98Å; P242-F311 WeakPolarHBondContact O-CB 3.46Å; P242-Q312 PolarHBondContact O-NE2 2.78Å
243	S	92.1	Very high	92.9	Very high	77 Å²	77	44.4 Å²	44.4	54%	0.538	25%	0.247	S	C	.	.	S	Bend	trans	-121.7	-25.9	-172.6	-55.8	0	0	0	0	114.5	S241 F260	S241-S243 PolarHBondContact O-N 3.21Å; S241-S243 VanDerWaalsContact O-N 3.16Å; S241-S243 PolarHBondContact OG-N 2.84Å; S243-F260 VanDerWaalsContact C-CD2 3.44Å; S243-F260 WeakPolarHBondContact O-CD2 3.44Å; S243-F260 PolarHBondContact O-N 2.87Å
244	D	94.7	Very high	92.8	Very high	28 Å²	28	42.7 Å²	42.7	15%	0.15	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	168.2	-174.2	62.6	20.9	0	0	0	112.7	S241 R257 F258	S241-D244 WeakPolarHBondContact CB-OD1 3.35Å; S241-D244 PolarHBondContact N-O 3.44Å; S241-D244 PolarHBondContact OG-N 2.99Å; S241-D244 PolarHBondContact OG-O 2.78Å; S241-D244 VanDerWaalsContact OG-O 3.07Å; S241-D244 PolarHBondContact OG-OD1 2.8Å; D244-R257 VanDerWaalsContact OD2-CD 3.29Å; D244-R257 WeakPolarHBondContact OD2-CD 3.49Å; D244-R257 IonicContact OD2-NE 3.75Å; D244-F258 WeakPolarHBondContact CA-O 3.3Å; D244-F258 WeakPolarHBondContact CB-O 3.37Å
245	I	96.8	Very high	92.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121	160.8	-49.7	173.1	0	0	0	106.7	L238 G239 F258 F260 V263 L275 I304	L238-I245 HydrophobicContact CD1-CG2 3.69Å; L238-I245 HydrophobicContact CD2-CG2 4.15Å; L238-I245 HydrophobicContact CG-CG2 3.77Å; G239-I245 CarbonylContact O-C 3.54Å; G239-I245 WeakPolarHBondContact O-CA 3.36Å; G239-I245 WeakPolarHBondContact O-CG2 3.46Å; I245-F258 HydrophobicContact CB-CB 4.28Å; I245-F258 HydrophobicContact CB-CD2 4.19Å; I245-F258 HydrophobicContact CG2-CD2 4.38Å; I245-F258 PolarHBondContact N-O 3.27Å; I245-F258 VanDerWaalsContact O-CD2 3.29Å; I245-F258 WeakPolarHBondContact O-CD2 3.2Å; I245-F258 PolarHBondContact O-N 3.11Å; I245-F260 HydrophobicContact CD1-CE1 4.22Å; I245-F260 HydrophobicContact CG1-CD1 4.21Å; I245-F260 HydrophobicContact CG1-CE1 3.65Å; I245-F260 HydrophobicContact CG1-CZ 4.5Å; I245-V263 HydrophobicContact CD1-CG1 4.47Å; I245-V263 HydrophobicContact CD1-CG2 4.02Å; I245-L275 HydrophobicContact CD1-CD1 4.08Å; I245-L275 HydrophobicContact CD1-CD2 3.92Å; I245-L275 HydrophobicContact CG2-CD1 4.21Å; I245-I304 HydrophobicContact CD1-CD1 3.89Å; I245-I304 HydrophobicContact CD1-CG1 4.12Å; I245-I304 HydrophobicContact CD1-CG2 3.8Å
246	V	95.2	Very high	92.7	Very high	9 Å²	9	35 Å²	35	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133	179.3	62	0	0	0	0	110.8	T223 F225 G239 V254 R257	T223-V246 HydrophobicContact CG2-CG1 4.13Å; F225-V246 HydrophobicContact CE1-CG1 4.25Å; G239-V246 PolarHBondContact N-O 3.47Å; G239-V246 PolarHBondContact O-N 2.82Å; V246-V254 HydrophobicContact CG2-CB 4.35Å; V246-V254 HydrophobicContact CG2-CG1 3.69Å; V246-V254 HydrophobicContact CG2-CG2 3.86Å; V246-R257 HydrophobicContact CB-CG 4.28Å; V246-R257 HydrophobicContact CG2-CG 3.96Å
247	L	95.7	Very high	92.6	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.7	171.1	-175.4	69.8	0	0	0	109.4	L236 L238 I255 E256 F258 Y289	L236-L247 HydrophobicContact CB-CD1 4.09Å; L236-L247 HydrophobicContact CD1-CD1 4Å; L236-L247 HydrophobicContact CD1-CD2 4.28Å; L236-L247 HydrophobicContact CD1-CG 4.43Å; L238-L247 HydrophobicContact CD1-CB 4.4Å; L238-L247 HydrophobicContact CD1-CD1 3.86Å; L247-I255 HydrophobicContact CD2-CB 4.41Å; L247-I255 HydrophobicContact CD2-CG2 4.41Å; L247-I255 HydrophobicContact CG-CB 4.46Å; L247-I255 HydrophobicContact CG-CD1 4.47Å; L247-I255 WeakPolarHBondContact O-CB 3.35Å; L247-I255 PolarHBondContact O-N 3.42Å; L247-E256 HydrophobicContact CB-CB 4.49Å; L247-E256 PolarHBondContact N-O 3.4Å; L247-E256 PolarHBondContact O-N 3.28Å; L247-F258 HydrophobicContact CB-CE2 4.03Å; L247-Y289 HydrophobicContact CD1-CE1 3.59Å; L247-Y289 WeakPolarHBondContact CD2-OH 3.29Å
248	C	93.6	Very high	92.6	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.027	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	155.1	176.9	-67.8	0	0	0	0	111.8	L236 L237 G252 G253	L236-C248 WeakPolarHBondContact CB-O 3.47Å; L237-C248 HydrophobicContact CB-CB 4.09Å; L237-C248 PolarHBondContact N-O 3.4Å; L237-C248 PolarHBondContact O-N 2.98Å; C248-G252 WeakPolarHBondContact CB-O 3.43Å; C248-G252 PolarHBondContact SG-O 3.38Å; C248-G253 CarbonylContact C-O 3.59Å; C248-G253 WeakPolarHBondContact CA-O 3.2Å
249	N	91.5	Very high	92.6	Very high	51 Å²	51	40.5 Å²	40.5	27%	0.273	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	170.7	168.3	64.7	38.3	0	0	0	111.3	T251 G252 G253 I255	N249-T251 VanDerWaalsContact CG-OG1 3.32Å; N249-T251 PolarHBondContact O-N 2.94Å; N249-T251 VanDerWaalsContact OD1-CA 3.28Å; N249-T251 WeakPolarHBondContact OD1-CA 3.17Å; N249-T251 WeakPolarHBondContact OD1-CB 3.5Å; N249-T251 PolarHBondContact OD1-N 3.05Å; N249-T251 PolarHBondContact OD1-OG1 3.06Å; N249-G252 PolarHBondContact O-N 3.14Å; N249-G252 PolarHBondContact OD1-N 3.09Å; N249-G252 VanDerWaalsContact OD1-N 3.11Å; N249-G253 PolarHBondContact N-O 3.21Å; N249-G253 PolarHBondContact ND2-O 3.43Å; N249-G253 PolarHBondContact OD1-N 3.34Å; N249-G253 PolarHBondContact OD1-O 3.16Å; N249-I255 HydrophobicContact CB-CD1 4.02Å; N249-I255 HydrophobicContact CB-CG1 4.24Å
250	S	86.7	Confident	92.5	Very high	76 Å²	76	40.9 Å²	40.9	53%	0.531	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-6.9	177	-68.9	0	0	0	0	114.7	K235	K235-S250 WeakPolarHBondContact CB-OG 3.19Å; K235-S250 PolarHBondContact O-OG 3.17Å
251	T	83.9	Confident	92.3	Very high	126 Å²	126	46.6 Å²	46.6	77%	0.773	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	14.6	176.6	48	0	0	0	0	112.7	N249 G253	N249-T251 VanDerWaalsContact CG-OG1 3.32Å; N249-T251 PolarHBondContact O-N 2.94Å; N249-T251 VanDerWaalsContact OD1-CA 3.28Å; N249-T251 WeakPolarHBondContact OD1-CA 3.17Å; N249-T251 WeakPolarHBondContact OD1-CB 3.5Å; N249-T251 PolarHBondContact OD1-N 3.05Å; N249-T251 PolarHBondContact OD1-OG1 3.06Å; T251-G253 VanDerWaalsContact C-N 3.29Å; T251-G253 PolarHBondContact O-N 3.22Å
252	G	82.8	Confident	92.3	Very high	20 Å²	20	48.9 Å²	48.9	21%	0.206	29%	0.288	C	S	.	.	S	Bend	trans	85.8	-22.3	176.4	0	0	0	0	0	115.6	C248 N249 V254	C248-G252 WeakPolarHBondContact CB-O 3.43Å; C248-G252 PolarHBondContact SG-O 3.38Å; N249-G252 PolarHBondContact O-N 3.14Å; N249-G252 PolarHBondContact OD1-N 3.09Å; N249-G252 VanDerWaalsContact OD1-N 3.11Å; G252-V254 PolarHBondContact O-N 2.98Å
253	G	87.8	Confident	92.4	Very high	25 Å²	25	47.9 Å²	47.9	26%	0.258	28%	0.281	S	S	.	.			trans	-63.6	132	-179.7	0	0	0	0	0	113.3	C248 N249 T251	C248-G253 CarbonylContact C-O 3.59Å; C248-G253 WeakPolarHBondContact CA-O 3.2Å; N249-G253 PolarHBondContact N-O 3.21Å; N249-G253 PolarHBondContact ND2-O 3.43Å; N249-G253 PolarHBondContact OD1-N 3.34Å; N249-G253 PolarHBondContact OD1-O 3.16Å; T251-G253 VanDerWaalsContact C-N 3.29Å; T251-G253 PolarHBondContact O-N 3.22Å
254	V	91	Very high	92.3	Very high	59 Å²	59	47.9 Å²	47.9	36%	0.358	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136	-177.6	-178.6	0	0	0	0	111.7	V246 G252 R257	V246-V254 HydrophobicContact CG2-CB 4.35Å; V246-V254 HydrophobicContact CG2-CG1 3.69Å; V246-V254 HydrophobicContact CG2-CG2 3.86Å; G252-V254 PolarHBondContact O-N 2.98Å; V254-R257 HydrophobicContact CG1-CG 4.26Å
255	I	92.9	Very high	92.2	Very high	95 Å²	95	47.1 Å²	47.1	49%	0.487	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-52.2	173.5	-57.9	175.4	0	0	0	110	L236 L247 N249	L236-I255 HydrophobicContact CD2-CD1 3.6Å; L247-I255 HydrophobicContact CD2-CB 4.41Å; L247-I255 HydrophobicContact CD2-CG2 4.41Å; L247-I255 HydrophobicContact CG-CB 4.46Å; L247-I255 HydrophobicContact CG-CD1 4.47Å; L247-I255 WeakPolarHBondContact O-CB 3.35Å; L247-I255 PolarHBondContact O-N 3.42Å; N249-I255 HydrophobicContact CB-CD1 4.02Å; N249-I255 HydrophobicContact CB-CG1 4.24Å
256	E	94.1	Very high	92.1	Very high	61 Å²	61	47.1 Å²	47.1	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.1	-176.4	-163.6	173.8	178.9	0	0	109.7	L247 F258 R262	L247-E256 HydrophobicContact CB-CB 4.49Å; L247-E256 PolarHBondContact N-O 3.4Å; L247-E256 PolarHBondContact O-N 3.28Å; E256-F258 HydrophobicContact CB-CE1 4.35Å; E256-F258 HydrophobicContact CB-CZ 4.13Å; E256-F258 HydrophobicContact CG-CD1 4.33Å; E256-F258 HydrophobicContact CG-CE1 3.72Å; E256-F258 HydrophobicContact CG-CZ 4.02Å; E256-F258 WeakPolarHBondContact OE1-CE1 3.3Å; E256-F258 WeakPolarHBondContact OE2-CE1 3.44Å; E256-F258 WeakPolarHBondContact OE2-CZ 3.5Å; E256-R262 IonicContact OE1-CZ 2.66Å; E256-R262 IonicContact OE1-NH1 2.7Å; E256-R262 PolarHBondContact OE1-NH1 3.13Å; E256-R262 IonicContact OE1-NH2 3.17Å; E256-R262 PolarHBondContact OE1-NH2 2.92Å; E256-R262 VanDerWaalsContact OE1-NH2 3.14Å
257	R	95.2	Very high	92.1	Very high	116 Å²	116	47.4 Å²	47.4	44%	0.438	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.4	169	-75.7	177.4	171.4	98.6	-1	109.2	D244 V246 V254 P259	D244-R257 VanDerWaalsContact OD2-CD 3.29Å; D244-R257 WeakPolarHBondContact OD2-CD 3.49Å; D244-R257 IonicContact OD2-NE 3.75Å; V246-R257 HydrophobicContact CB-CG 4.28Å; V246-R257 HydrophobicContact CG2-CG 3.96Å; V254-R257 HydrophobicContact CG1-CG 4.26Å; R257-P259 WeakPolarHBondContact O-CD 3.45Å
258	F	95.6	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	89.7	175.8	-47.3	-68.1	0	0	0	108.2	D244 I245 L247 E256 V263 L275 L277	D244-F258 WeakPolarHBondContact CA-O 3.3Å; D244-F258 WeakPolarHBondContact CB-O 3.37Å; I245-F258 HydrophobicContact CB-CB 4.28Å; I245-F258 HydrophobicContact CB-CD2 4.19Å; I245-F258 HydrophobicContact CG2-CD2 4.38Å; I245-F258 PolarHBondContact N-O 3.27Å; I245-F258 VanDerWaalsContact O-CD2 3.29Å; I245-F258 WeakPolarHBondContact O-CD2 3.2Å; I245-F258 PolarHBondContact O-N 3.11Å; L247-F258 HydrophobicContact CB-CE2 4.03Å; E256-F258 HydrophobicContact CB-CE1 4.35Å; E256-F258 HydrophobicContact CB-CZ 4.13Å; E256-F258 HydrophobicContact CG-CD1 4.33Å; E256-F258 HydrophobicContact CG-CE1 3.72Å; E256-F258 HydrophobicContact CG-CZ 4.02Å; E256-F258 WeakPolarHBondContact OE1-CE1 3.3Å; E256-F258 WeakPolarHBondContact OE2-CE1 3.44Å; E256-F258 WeakPolarHBondContact OE2-CZ 3.5Å; F258-V263 HydrophobicContact CB-CG2 4.16Å; F258-L275 HydrophobicContact CD2-CD1 4.22Å; F258-L275 HydrophobicContact CE2-CD1 4.38Å; F258-L277 HydrophobicContact CB-CD2 4.1Å; F258-L277 HydrophobicContact CD1-CD1 3.4Å; F258-L277 VanDerWaalsContact CD1-CD1 3.4Å; F258-L277 HydrophobicContact CD1-CD2 3.86Å; F258-L277 HydrophobicContact CD1-CG 4.28Å; F258-L277 HydrophobicContact CE1-CD1 3.28Å; F258-L277 HydrophobicContact CG-CD1 4.24Å; F258-L277 HydrophobicContact CG-CD2 4.04Å; F258-L277 HydrophobicContact CZ-CD1 4.05Å
259	P	95.2	Very high	91.9	Very high	60 Å²	60	48.6 Å²	48.6	39%	0.39	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	142.6	169.7	-24.5	34.6	0	0	0	109.7	R257 C261 R262	R257-P259 WeakPolarHBondContact O-CD 3.45Å; P259-C261 PolarHBondContact O-N 2.99Å; P259-C261 VanDerWaalsContact O-N 3.12Å; P259-R262 WeakPolarHBondContact O-CB 3.44Å; P259-R262 PolarHBondContact O-N 3.13Å
260	F	94.2	Very high	92	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-59.6	-30.5	-171.3	-76.1	-51.2	0	0	0	114	V240 S241 S243 I245 R262 V263 I304 V307 H308 Q312 W640	V240-F260 HydrophobicContact CG1-CZ 4.43Å; S241-F260 WeakPolarHBondContact O-CE2 3.29Å; S241-F260 WeakPolarHBondContact O-CZ 3.41Å; S243-F260 VanDerWaalsContact C-CD2 3.44Å; S243-F260 WeakPolarHBondContact O-CD2 3.44Å; S243-F260 PolarHBondContact O-N 2.87Å; I245-F260 HydrophobicContact CD1-CE1 4.22Å; I245-F260 HydrophobicContact CG1-CD1 4.21Å; I245-F260 HydrophobicContact CG1-CE1 3.65Å; I245-F260 HydrophobicContact CG1-CZ 4.5Å; F260-R262 PolarHBondContact O-N 2.83Å; F260-V263 PolarHBondContact O-N 3.49Å; F260-I304 HydrophobicContact CE1-CG2 4.46Å; F260-V307 HydrophobicContact CE2-CG1 4.31Å; F260-V307 HydrophobicContact CZ-CG1 4.11Å; F260-H308 HydrophobicContact CE1-CB 4.45Å; F260-H308 AromaticContact CG-CD2 3.93Å; F260-Q312 HydrophobicContact CB-CG 4.33Å; F260-Q312 HydrophobicContact CD2-CG 3.6Å; F260-Q312 HydrophobicContact CE2-CG 4.3Å; F260-Q312 HydrophobicContact CG-CG 4.32Å; F260-W640 HydrophobicContact CB-CZ3 3.77Å; F260-W640 AromaticContact CD1-CH2 3.47Å; F260-W640 HydrophobicContact CD1-CH2 3.47Å; F260-W640 VanDerWaalsContact CD1-CH2 3.47Å; F260-W640 AromaticContact CD1-CZ3 3.51Å; F260-W640 HydrophobicContact CD1-CZ3 3.51Å; F260-W640 AromaticContact CE1-CH2 3.95Å; F260-W640 HydrophobicContact CE1-CH2 3.95Å; F260-W640 HydrophobicContact CE1-CZ3 4.43Å; F260-W640 HydrophobicContact CG-CH2 4.27Å; F260-W640 AromaticContact CG-CZ3 3.99Å; F260-W640 HydrophobicContact CG-CZ3 3.99Å; F260-W640 WeakPolarHBondContact O-CZ3 3.49Å
261	C	91.8	Very high	92.4	Very high	121 Å²	121	51.3 Å²	51.3	82%	0.818	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-61.7	-19	172.1	57.4	0	0	0	0	115	P259	P259-C261 PolarHBondContact O-N 2.99Å; P259-C261 VanDerWaalsContact O-N 3.12Å
262	R	94.4	Very high	93	Very high	58 Å²	58	47.4 Å²	47.4	22%	0.219	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-85	-15.7	173	-166.2	178.9	168.4	-151.7	-2.6	112.4	E256 P259 F260 H264 L277 L278 E279	E256-R262 IonicContact OE1-CZ 2.66Å; E256-R262 IonicContact OE1-NH1 2.7Å; E256-R262 PolarHBondContact OE1-NH1 3.13Å; E256-R262 IonicContact OE1-NH2 3.17Å; E256-R262 PolarHBondContact OE1-NH2 2.92Å; E256-R262 VanDerWaalsContact OE1-NH2 3.14Å; P259-R262 WeakPolarHBondContact O-CB 3.44Å; P259-R262 PolarHBondContact O-N 3.13Å; F260-R262 PolarHBondContact O-N 2.83Å; R262-H264 PolarHBondContact O-N 2.75Å; R262-L277 CarbonylContact O-C 3.58Å; R262-L277 WeakPolarHBondContact O-CA 3.48Å; R262-L278 WeakPolarHBondContact CG-O 3.35Å; R262-L278 PolarHBondContact NE-O 3.49Å; R262-L278 PolarHBondContact O-N 3.4Å; R262-E279 IonicContact CZ-OE2 3.04Å; R262-E279 IonicContact NE-OE2 2.66Å; R262-E279 IonicContact NH2-OE2 3.2Å; R262-E279 PolarHBondContact NH2-OE2 2.9Å
263	V	94.3	Very high	93.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	85.3	-175.8	-174.7	0	0	0	0	109.5	I245 F258 F260 T265 L277 W640	I245-V263 HydrophobicContact CD1-CG1 4.47Å; I245-V263 HydrophobicContact CD1-CG2 4.02Å; F258-V263 HydrophobicContact CB-CG2 4.16Å; F260-V263 PolarHBondContact O-N 3.49Å; V263-T265 PolarHBondContact O-N 3.37Å; V263-L277 HydrophobicContact CB-CD2 4.47Å; V263-L277 HydrophobicContact CG2-CD2 3.89Å; V263-W640 HydrophobicContact CB-CE3 4.02Å; V263-W640 HydrophobicContact CB-CH2 4.22Å; V263-W640 HydrophobicContact CB-CZ3 3.59Å; V263-W640 HydrophobicContact CG1-CE3 4.39Å; V263-W640 HydrophobicContact CG1-CH2 4.12Å; V263-W640 HydrophobicContact CG1-CZ3 3.94Å; V263-W640 HydrophobicContact CG2-CZ3 4.38Å
264	H	91.2	Very high	94.1	Very high	78 Å²	78	46.3 Å²	46.3	36%	0.361	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-44.7	-176.3	175	52	0	0	0	112.9	R262 N276 W640	R262-H264 PolarHBondContact O-N 2.75Å; H264-N276 PolarHBondContact N-O 2.97Å; H264-W640 PolarHBondContact O-N 2.87Å
265	T	93	Very high	94.3	Very high	12 Å²	12	43.5 Å²	43.5	7%	0.074	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.9	172.3	77.5	0	0	0	0	111.7	V263 N276 V638 T639	V263-T265 PolarHBondContact O-N 3.37Å; T265-N276 PolarHBondContact N-O 3.18Å; T265-N276 WeakPolarHBondContact O-CB 2.92Å; T265-N276 PolarHBondContact O-N 2.88Å; T265-N276 WeakPolarHBondContact OG1-CB 3.47Å; T265-N276 PolarHBondContact OG1-ND2 3.16Å; T265-V638 WeakPolarHBondContact CA-O 3.32Å; T265-V638 VanDerWaalsContact CB-O 3.3Å; T265-V638 WeakPolarHBondContact CB-O 3.29Å; T265-T639 HydrophobicContact CG2-CG2 3.63Å
266	I	94.6	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.3	167.6	-174.1	171.3	0	0	0	110.1	V273 L275 Y301 I304 R637 V638	I266-V273 HydrophobicContact CD1-CG1 3.79Å; I266-V273 HydrophobicContact CG1-CG1 3.95Å; I266-L275 HydrophobicContact CD1-CD2 3.87Å; I266-L275 HydrophobicContact CG1-CD2 4.06Å; I266-Y301 HydrophobicContact CD1-CD2 4.31Å; I266-Y301 HydrophobicContact CG1-CD2 4.04Å; I266-Y301 HydrophobicContact CG2-CD2 4.3Å; I266-Y301 HydrophobicContact CG2-CE2 4.25Å; I266-I304 HydrophobicContact CD1-CB 3.76Å; I266-I304 HydrophobicContact CD1-CD1 3.48Å; I266-I304 VanDerWaalsContact CD1-CD1 3.48Å; I266-I304 HydrophobicContact CD1-CG1 4.2Å; I266-I304 HydrophobicContact CD1-CG2 3.73Å; I266-R637 WeakPolarHBondContact O-CA 3.48Å; I266-V638 HydrophobicContact CG2-CB 4.14Å; I266-V638 PolarHBondContact N-O 2.92Å; I266-V638 PolarHBondContact O-N 2.97Å
267	T	93.9	Very high	94.6	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.086	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.1	170.6	67.4	0	0	0	0	112.7	V273 T274 R636 R637	T267-V273 WeakPolarHBondContact O-CA 3.24Å; T267-T274 PolarHBondContact N-O 3.07Å; T267-T274 PolarHBondContact O-N 2.8Å; T267-T274 WeakPolarHBondContact OG1-CB 3.31Å; T267-R636 CarbonylContact C-O 3.53Å; T267-R636 WeakPolarHBondContact CA-O 3.36Å; T267-R636 WeakPolarHBondContact CB-O 3.29Å; T267-R637 HydrophobicContact CG2-CB 3.91Å; T267-R637 HydrophobicContact CG2-CG 3.9Å
268	N	93.2	Very high	94.6	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.1	170.2	167.9	-127.4	0	0	0	110	A270 V272 V273 A297 Y301 T635 R636	N268-A270 PolarHBondContact ND2-O 2.67Å; N268-V272 WeakPolarHBondContact CA-O 3.4Å; N268-V272 PolarHBondContact ND2-O 2.79Å; N268-V273 HydrophobicContact CB-CG2 4.45Å; N268-A297 WeakPolarHBondContact ND2-CB 3.46Å; N268-Y301 HydrophobicContact CB-CD1 4.49Å; N268-Y301 HydrophobicContact CB-CD2 3.61Å; N268-Y301 HydrophobicContact CB-CE2 4.32Å; N268-Y301 HydrophobicContact CB-CG 3.72Å; N268-T635 CarbonylContact O-C 3.43Å; N268-T635 WeakPolarHBondContact O-CA 3.35Å; N268-R636 PolarHBondContact N-O 2.98Å; N268-R636 PolarHBondContact O-N 2.97Å
269	S	92.4	Very high	94.5	Very high	33 Å²	33	37.5 Å²	37.5	23%	0.231	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	122.9	174	-157.4	0	0	0	0	109.1	R271 V272 S633 T635	S269-R271 PolarHBondContact O-N 2.81Å; S269-R271 VanDerWaalsContact O-N 3.16Å; S269-V272 PolarHBondContact N-O 2.6Å; S269-V272 PolarHBondContact O-N 2.82Å; S269-S633 PolarHBondContact OG-OG 3.16Å; S269-T635 WeakPolarHBondContact CB-OG1 3.44Å; S269-T635 PolarHBondContact OG-OG1 2.77Å
270	A	93.2	Very high	94.2	Very high	50 Å²	50	44.5 Å²	44.5	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	-117.9	-171.1	0	0	0	0	0	112.6	N268 T294 S633	N268-A270 PolarHBondContact ND2-O 2.67Å; A270-T294 WeakPolarHBondContact O-CG2 3.5Å; A270-S633 PolarHBondContact N-OG 3.36Å
271	R	95.2	Very high	94.1	Very high	133 Å²	133	50.2 Å²	50.2	50%	0.502	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	8.6	-178.3	-51.2	-168.9	-170.1	165.8	8.7	114.1	S269 Q290 L291	S269-R271 PolarHBondContact O-N 2.81Å; S269-R271 VanDerWaalsContact O-N 3.16Å; R271-Q290 WeakPolarHBondContact O-CA 3.38Å; R271-L291 PolarHBondContact O-N 2.86Å
272	V	96.3	Very high	94.1	Very high	45 Å²	45	47 Å²	47	27%	0.273	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.8	-175.9	-177.2	0	0	0	0	110.3	N268 S269 N288 Y289 Q290	N268-V272 WeakPolarHBondContact CA-O 3.4Å; N268-V272 PolarHBondContact ND2-O 2.79Å; S269-V272 PolarHBondContact N-O 2.6Å; S269-V272 PolarHBondContact O-N 2.82Å; V272-N288 HydrophobicContact CG1-CB 4.16Å; V272-Y289 CarbonylContact C-O 3.39Å; V272-Y289 WeakPolarHBondContact CA-O 3.39Å; V272-Q290 HydrophobicContact CG2-CB 4.3Å; V272-Q290 HydrophobicContact CG2-CG 4.36Å
273	V	97.3	Very high	94	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.9	164.5	175.5	0	0	0	0	107.6	I266 T267 N268 L275 Y289 L291 A297 L300	I266-V273 HydrophobicContact CD1-CG1 3.79Å; I266-V273 HydrophobicContact CG1-CG1 3.95Å; T267-V273 WeakPolarHBondContact O-CA 3.24Å; N268-V273 HydrophobicContact CB-CG2 4.45Å; V273-L275 HydrophobicContact CG1-CD2 4.42Å; V273-Y289 PolarHBondContact N-O 3.08Å; V273-Y289 PolarHBondContact O-N 3.42Å; V273-L291 HydrophobicContact CG2-CD1 4.21Å; V273-A297 HydrophobicContact CG2-CB 4.11Å; V273-A297 WeakPolarHBondContact CG2-O 3.25Å; V273-L300 HydrophobicContact CB-CD2 4.05Å; V273-L300 HydrophobicContact CG1-CD2 4.23Å; V273-L300 HydrophobicContact CG2-CB 4.39Å; V273-L300 HydrophobicContact CG2-CD2 3.91Å; V273-L300 HydrophobicContact CG2-CG 4.27Å
274	T	96.6	Very high	94	Very high	21 Å²	21	50.1 Å²	50.1	13%	0.129	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.4	176	-52.2	0	0	0	0	109.2	T267 N276 Q287 N288	T267-T274 PolarHBondContact N-O 3.07Å; T267-T274 PolarHBondContact O-N 2.8Å; T267-T274 WeakPolarHBondContact OG1-CB 3.31Å; T274-N276 WeakPolarHBondContact CG2-OD1 3.35Å; T274-Q287 WeakPolarHBondContact CA-O 3.48Å; T274-N288 WeakPolarHBondContact CB-OD1 3.49Å; T274-N288 WeakPolarHBondContact CG2-OD1 3.48Å; T274-N288 PolarHBondContact OG1-OD1 3.34Å
275	L	96.6	Very high	94.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	113.4	167.6	-55.5	-177	0	0	0	107.6	L238 I245 F258 I266 V273 L277 G286 Q287 Y289 I304	L238-L275 HydrophobicContact CD1-CD1 4.5Å; L238-L275 HydrophobicContact CD2-CD1 4.43Å; I245-L275 HydrophobicContact CD1-CD1 4.08Å; I245-L275 HydrophobicContact CD1-CD2 3.92Å; I245-L275 HydrophobicContact CG2-CD1 4.21Å; F258-L275 HydrophobicContact CD2-CD1 4.22Å; F258-L275 HydrophobicContact CE2-CD1 4.38Å; I266-L275 HydrophobicContact CD1-CD2 3.87Å; I266-L275 HydrophobicContact CG1-CD2 4.06Å; V273-L275 HydrophobicContact CG1-CD2 4.42Å; L275-L277 HydrophobicContact CB-CD2 4.19Å; L275-L277 HydrophobicContact CB-CG 4.34Å; L275-G286 WeakPolarHBondContact O-CA 3.39Å; L275-Q287 PolarHBondContact N-O 3.46Å; L275-Q287 PolarHBondContact O-N 3.39Å; L275-Y289 HydrophobicContact CD1-CD2 4.36Å; L275-Y289 HydrophobicContact CD1-CE2 4Å; L275-Y289 HydrophobicContact CG-CD2 4.28Å; L275-Y289 HydrophobicContact CG-CE2 4.27Å; L275-I304 HydrophobicContact CD2-CD1 4.05Å
276	N	95.9	Very high	94.2	Very high	32 Å²	32	52.7 Å²	52.7	17%	0.171	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	100.8	174.1	-60.7	-58.5	0	0	0	107.7	H264 T265 T274 V284 G286	H264-N276 PolarHBondContact N-O 2.97Å; T265-N276 PolarHBondContact N-O 3.18Å; T265-N276 WeakPolarHBondContact O-CB 2.92Å; T265-N276 PolarHBondContact O-N 2.88Å; T265-N276 WeakPolarHBondContact OG1-CB 3.47Å; T265-N276 PolarHBondContact OG1-ND2 3.16Å; T274-N276 WeakPolarHBondContact CG2-OD1 3.35Å; N276-V284 HydrophobicContact CB-CG1 3.74Å; N276-G286 VanDerWaalsContact OD1-CA 3.3Å; N276-G286 WeakPolarHBondContact OD1-CA 3.43Å
277	L	96	Very high	94.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	140.4	-173.1	-57.9	171.9	0	0	0	110.4	F258 R262 V263 L275 V284 K285 Q287	F258-L277 HydrophobicContact CB-CD2 4.1Å; F258-L277 HydrophobicContact CD1-CD1 3.4Å; F258-L277 VanDerWaalsContact CD1-CD1 3.4Å; F258-L277 HydrophobicContact CD1-CD2 3.86Å; F258-L277 HydrophobicContact CD1-CG 4.28Å; F258-L277 HydrophobicContact CE1-CD1 3.28Å; F258-L277 HydrophobicContact CG-CD1 4.24Å; F258-L277 HydrophobicContact CG-CD2 4.04Å; F258-L277 HydrophobicContact CZ-CD1 4.05Å; R262-L277 CarbonylContact O-C 3.58Å; R262-L277 WeakPolarHBondContact O-CA 3.48Å; V263-L277 HydrophobicContact CB-CD2 4.47Å; V263-L277 HydrophobicContact CG2-CD2 3.89Å; L275-L277 HydrophobicContact CB-CD2 4.19Å; L275-L277 HydrophobicContact CB-CG 4.34Å; L277-V284 CarbonylContact O-C 3.53Å; L277-V284 VanDerWaalsContact O-CA 3.31Å; L277-V284 WeakPolarHBondContact O-CA 3.45Å; L277-K285 PolarHBondContact N-O 3.03Å; L277-K285 PolarHBondContact O-N 3.45Å; L277-Q287 HydrophobicContact CD1-CG 3.91Å
278	L	94.7	Very high	94.4	Very high	73 Å²	73	57.1 Å²	57.1	38%	0.382	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133	165.2	-170.4	65.1	0	0	0	109	R262 V284	R262-L278 WeakPolarHBondContact CG-O 3.35Å; R262-L278 PolarHBondContact NE-O 3.49Å; R262-L278 PolarHBondContact O-N 3.4Å; L278-V284 HydrophobicContact CD1-CG2 4.26Å
279	E	93.6	Very high	94.6	Very high	41 Å²	41	57.1 Å²	57.1	19%	0.192	32%	0.321	C	S	.	.			trans	-105.5	166.2	172.2	-59.9	-75.4	-128.6	0	0	110.1	R262 D281 G282 S283 K285	R262-E279 IonicContact CZ-OE2 3.04Å; R262-E279 IonicContact NE-OE2 2.66Å; R262-E279 IonicContact NH2-OE2 3.2Å; R262-E279 PolarHBondContact NH2-OE2 2.9Å; E279-D281 PolarHBondContact O-N 2.95Å; E279-D281 VanDerWaalsContact O-N 3.13Å; E279-G282 PolarHBondContact O-N 2.85Å; E279-S283 PolarHBondContact N-O 2.86Å; E279-K285 HydrophobicContact CG-CB 3.91Å; E279-K285 HydrophobicContact CG-CD 3.97Å; E279-K285 WeakPolarHBondContact OE1-CD 3.47Å; E279-K285 WeakPolarHBondContact OE1-CE 3.31Å; E279-K285 IonicContact OE1-NZ 3.77Å; E279-K285 PolarHBondContact OE1-NZ 3.16Å
280	E	90.1	Very high	94.8	Very high	208 Å²	208	60 Å²	60	97%	0.972	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.3	-173	-61.5	-177.9	161.5	0	0	114.6	G282	E280-G282 VanDerWaalsContact C-N 3.27Å
281	D	92.3	Very high	94.9	Very high	127 Å²	127	57.9 Å²	57.9	68%	0.679	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	3.1	174.9	67.7	-13.2	0	0	0	113.5	E279 S283	E279-D281 PolarHBondContact O-N 2.95Å; E279-D281 VanDerWaalsContact O-N 3.13Å; D281-S283 PolarHBondContact O-N 3.45Å; D281-S283 WeakPolarHBondContact OD1-CB 3.48Å; D281-S283 PolarHBondContact OD1-N 3.37Å; D281-S283 PolarHBondContact OD1-OG 3.27Å; D281-S283 PolarHBondContact OD2-OG 2.9Å
282	G	90.5	Very high	94.8	Very high	54 Å²	54	54.5 Å²	54.5	56%	0.557	31%	0.31	S	S	*	.	S	Bend	trans	77.3	2.2	-174.2	0	0	0	0	0	114	E279 E280	E279-G282 PolarHBondContact O-N 2.85Å; E280-G282 VanDerWaalsContact C-N 3.27Å
283	S	93.7	Very high	94.6	Very high	52 Å²	52	53.5 Å²	53.5	36%	0.364	31%	0.305	S	S	.	.			trans	-74.9	158	173.4	76.9	0	0	0	0	111.5	E279 D281	E279-S283 PolarHBondContact N-O 2.86Å; D281-S283 PolarHBondContact O-N 3.45Å; D281-S283 WeakPolarHBondContact OD1-CB 3.48Å; D281-S283 PolarHBondContact OD1-N 3.37Å; D281-S283 PolarHBondContact OD1-OG 3.27Å; D281-S283 PolarHBondContact OD2-OG 2.9Å
284	V	94.8	Very high	94.3	Very high	72 Å²	72	57 Å²	57	44%	0.436	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.4	178.5	178.4	0	0	0	0	110	N276 L277 L278	N276-V284 HydrophobicContact CB-CG1 3.74Å; L277-V284 CarbonylContact O-C 3.53Å; L277-V284 VanDerWaalsContact O-CA 3.31Å; L277-V284 WeakPolarHBondContact O-CA 3.45Å; L278-V284 HydrophobicContact CD1-CG2 4.26Å
285	K	94.1	Very high	93.9	Very high	104 Å²	104	61 Å²	61	45%	0.452	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.6	-172.2	-175.9	-172.6	-171.9	-178.1	0	111.2	L277 E279 Q287	L277-K285 PolarHBondContact N-O 3.03Å; L277-K285 PolarHBondContact O-N 3.45Å; E279-K285 HydrophobicContact CG-CB 3.91Å; E279-K285 HydrophobicContact CG-CD 3.97Å; E279-K285 WeakPolarHBondContact OE1-CD 3.47Å; E279-K285 WeakPolarHBondContact OE1-CE 3.31Å; E279-K285 IonicContact OE1-NZ 3.77Å; E279-K285 PolarHBondContact OE1-NZ 3.16Å; K285-Q287 PolarHBondContact O-N 2.91Å
286	G	94.1	Very high	93.7	Very high	41 Å²	41	62.1 Å²	62.1	42%	0.423	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.4	176	0	0	0	0	0	112.7	L275 N276	L275-G286 WeakPolarHBondContact O-CA 3.39Å; N276-G286 VanDerWaalsContact OD1-CA 3.3Å; N276-G286 WeakPolarHBondContact OD1-CA 3.43Å
287	Q	94.7	Very high	93.6	Very high	35 Å²	35	60.6 Å²	60.6	16%	0.164	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.1	167.2	-61.7	-163.1	13.3	0	0	110.2	T274 L275 L277 K285 Y289	T274-Q287 WeakPolarHBondContact CA-O 3.48Å; L275-Q287 PolarHBondContact N-O 3.46Å; L275-Q287 PolarHBondContact O-N 3.39Å; L277-Q287 HydrophobicContact CD1-CG 3.91Å; K285-Q287 PolarHBondContact O-N 2.91Å; Q287-Y289 HydrophobicContact CB-CE2 3.7Å; Q287-Y289 PolarHBondContact OE1-OH 3.5Å
288	N	96.5	Very high	93.5	Very high	72 Å²	72	63 Å²	63	39%	0.385	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128	-176.3	-66.7	-36.8	0	0	0	112.3	I231 V272 T274	I231-N288 HydrophobicContact CG2-CB 3.83Å; V272-N288 HydrophobicContact CG1-CB 4.16Å; T274-N288 WeakPolarHBondContact CB-OD1 3.49Å; T274-N288 WeakPolarHBondContact CG2-OD1 3.48Å; T274-N288 PolarHBondContact OG1-OD1 3.34Å
289	Y	97.4	Very high	93.4	Very high	6 Å²	6	59.6 Å²	59.6	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.5	179.3	-67	-78.4	0	0	0	110.7	V228 K229 L247 V272 V273 L275 Q287	V228-Y289 HydrophobicContact CB-CD1 4.14Å; V228-Y289 HydrophobicContact CG2-CD1 3.67Å; V228-Y289 HydrophobicContact CG2-CE1 4.31Å; K229-Y289 CarbonylContact O-C 3.58Å; K229-Y289 WeakPolarHBondContact O-CA 3.32Å; L247-Y289 HydrophobicContact CD1-CE1 3.59Å; L247-Y289 WeakPolarHBondContact CD2-OH 3.29Å; V272-Y289 CarbonylContact C-O 3.39Å; V272-Y289 WeakPolarHBondContact CA-O 3.39Å; V273-Y289 PolarHBondContact N-O 3.08Å; V273-Y289 PolarHBondContact O-N 3.42Å; L275-Y289 HydrophobicContact CD1-CD2 4.36Å; L275-Y289 HydrophobicContact CD1-CE2 4Å; L275-Y289 HydrophobicContact CG-CD2 4.28Å; L275-Y289 HydrophobicContact CG-CE2 4.27Å; Q287-Y289 HydrophobicContact CB-CE2 3.7Å; Q287-Y289 PolarHBondContact OE1-OH 3.5Å
290	Q	97	Very high	93.5	Very high	93 Å²	93	57.7 Å²	57.7	44%	0.435	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.9	-179.9	-175.5	179.9	7.3	0	0	111.2	V228 K229 R271 V272	V228-Q290 CarbonylContact C-O 3.58Å; K229-Q290 HydrophobicContact CB-CB 4.37Å; K229-Q290 PolarHBondContact N-O 2.83Å; K229-Q290 PolarHBondContact O-N 3.49Å; R271-Q290 WeakPolarHBondContact O-CA 3.38Å; V272-Q290 HydrophobicContact CG2-CB 4.3Å; V272-Q290 HydrophobicContact CG2-CG 4.36Å
291	L	95.4	Very high	93.7	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	27%	0.273	C	S	.	.			trans	-112.1	166.6	-179.7	-69.3	88.8	0	0	0	111.6	Y226 V228 R271 V273 S293 L296 A297 L300	Y226-L291 HydrophobicContact CD1-CD2 4.16Å; V228-L291 HydrophobicContact CG1-CD1 4.14Å; V228-L291 HydrophobicContact CG1-CD2 4.34Å; V228-L291 HydrophobicContact CG1-CG 4.03Å; R271-L291 PolarHBondContact O-N 2.86Å; V273-L291 HydrophobicContact CG2-CD1 4.21Å; L291-S293 PolarHBondContact O-N 3.16Å; L291-L296 HydrophobicContact CB-CB 4.22Å; L291-L296 HydrophobicContact CD2-CB 3.91Å; L291-A297 HydrophobicContact CB-CB 4.35Å; L291-A297 HydrophobicContact CD1-CB 4.19Å; L291-L300 HydrophobicContact CD1-CD2 3.82Å; L291-L300 HydrophobicContact CD2-CB 4.21Å; L291-L300 HydrophobicContact CD2-CD2 3.98Å
292	S	92.9	Very high	93.8	Very high	62 Å²	62	42.5 Å²	42.5	43%	0.434	24%	0.244	S	C	.	.	S	Bend	trans	-63.3	-28.3	-176.7	96	0	0	0	0	113.3	E82 L296	E82-S292 PolarHBondContact OE1-OG 2.9Å; S292-L296 WeakPolarHBondContact OG-CD1 3.36Å
293	S	91.7	Very high	94	Very high	24 Å²	24	40.1 Å²	40.1	17%	0.168	22%	0.218	C	C	.	.	S	Bend	trans	-146.8	155.5	-175.9	74.4	0	0	0	0	112.5	L291 R295 L296 A297	L291-S293 PolarHBondContact O-N 3.16Å; S293-R295 PolarHBondContact O-N 3.08Å; S293-L296 PolarHBondContact O-N 2.71Å; S293-L296 PolarHBondContact OG-N 3.44Å; S293-L296 VanDerWaalsContact OG-N 3.12Å; S293-A297 PolarHBondContact O-N 2.81Å
294	T	91.1	Very high	94.1	Very high	72 Å²	72	37.6 Å²	37.6	44%	0.442	20%	0.201	S	C	.	.	H	α-helix	trans	-59.5	-35.9	173	-51.2	0	0	0	0	111.2	A270 A297 Y298	A270-T294 WeakPolarHBondContact O-CG2 3.5Å; T294-A297 PolarHBondContact O-N 3.09Å; T294-Y298 WeakPolarHBondContact O-CB 3.49Å; T294-Y298 PolarHBondContact O-N 3.09Å
295	R	89.6	Confident	94.1	Very high	105 Å²	105	34.2 Å²	34.2	40%	0.396	18%	0.18	S	C	.	.	H	α-helix	trans	-64.4	-41.6	178	-169.4	-175.7	176.6	153.9	8.2	112.1	F84 S293 S299	F84-R295 HydrophobicContact CD1-CG 3.97Å; F84-R295 HydrophobicContact CE1-CB 4.2Å; F84-R295 HydrophobicContact CE1-CG 3.56Å; F84-R295 HydrophobicContact CZ-CB 4.45Å; F84-R295 HydrophobicContact CZ-CG 3.96Å; S293-R295 PolarHBondContact O-N 3.08Å; R295-S299 WeakPolarHBondContact O-CB 3.41Å; R295-S299 PolarHBondContact O-N 3.39Å
296	L	92.6	Very high	94.1	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-68.6	-42.3	174.2	-78.2	170.7	0	0	0	111.8	E82 F84 Y226 L291 S292 S293 Y298 S299 L300	E82-L296 HydrophobicContact CG-CD1 4.34Å; F84-L296 HydrophobicContact CE1-CD2 3.63Å; F84-L296 HydrophobicContact CE1-CG 3.94Å; F84-L296 HydrophobicContact CZ-CD2 4Å; F84-L296 HydrophobicContact CZ-CG 4.14Å; Y226-L296 HydrophobicContact CD1-CD2 4.37Å; Y226-L296 HydrophobicContact CE1-CD2 4.37Å; L291-L296 HydrophobicContact CB-CB 4.22Å; L291-L296 HydrophobicContact CD2-CB 3.91Å; S292-L296 WeakPolarHBondContact OG-CD1 3.36Å; S293-L296 PolarHBondContact O-N 2.71Å; S293-L296 PolarHBondContact OG-N 3.44Å; S293-L296 VanDerWaalsContact OG-N 3.12Å; L296-Y298 VanDerWaalsContact C-N 3.35Å; L296-Y298 PolarHBondContact O-N 3.06Å; L296-S299 PolarHBondContact O-N 3.43Å; L296-S299 VanDerWaalsContact O-N 3.16Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 PolarHBondContact O-N 2.68Å
297	A	93.9	Very high	94.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-43.8	177.3	0	0	0	0	0	111.9	N268 V273 L291 S293 T294 L300 Y301	N268-A297 WeakPolarHBondContact ND2-CB 3.46Å; V273-A297 HydrophobicContact CG2-CB 4.11Å; V273-A297 WeakPolarHBondContact CG2-O 3.25Å; L291-A297 HydrophobicContact CB-CB 4.35Å; L291-A297 HydrophobicContact CD1-CB 4.19Å; S293-A297 PolarHBondContact O-N 2.81Å; T294-A297 PolarHBondContact O-N 3.09Å; A297-L300 PolarHBondContact O-N 2.77Å; A297-Y301 WeakPolarHBondContact O-CB 3.35Å; A297-Y301 PolarHBondContact O-N 3.2Å; A297-Y301 VanDerWaalsContact O-N 3.08Å
298	Y	92.6	Very high	94	Very high	50 Å²	50	27.3 Å²	27.3	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-40	172.6	-174.6	-110.6	0	0	0	112.5	T294 L296 L300 Y301 R302 A341 R636	T294-Y298 WeakPolarHBondContact O-CB 3.49Å; T294-Y298 PolarHBondContact O-N 3.09Å; L296-Y298 VanDerWaalsContact C-N 3.35Å; L296-Y298 PolarHBondContact O-N 3.06Å; Y298-L300 PolarHBondContact O-N 3.41Å; Y298-Y301 HydrophobicContact CD2-CD1 4.06Å; Y298-Y301 AromaticContact CE2-CD1 3.94Å; Y298-Y301 HydrophobicContact CE2-CD1 3.94Å; Y298-Y301 HydrophobicContact CE2-CE1 4.12Å; Y298-Y301 PolarHBondContact O-N 3.06Å; Y298-R302 VanDerWaalsContact O-CB 3.3Å; Y298-R302 WeakPolarHBondContact O-CB 3.35Å; Y298-R302 PolarHBondContact O-N 3.27Å; Y298-A341 PolarHBondContact OH-O 3.45Å; Y298-A341 VanDerWaalsContact OH-O 3.13Å; Y298-R636 PolarHBondContact OH-NH1 3.06Å
299	S	93	Very high	93.8	Very high	3 Å²	3	24 Å²	24	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-43.2	176.5	-168.7	0	0	0	0	112.2	Y226 R295 L296 R302 T303	Y226-S299 PolarHBondContact OH-OG 3.42Å; R295-S299 WeakPolarHBondContact O-CB 3.41Å; R295-S299 PolarHBondContact O-N 3.39Å; L296-S299 PolarHBondContact O-N 3.43Å; L296-S299 VanDerWaalsContact O-N 3.16Å; S299-R302 PolarHBondContact O-N 3.1Å; S299-T303 WeakPolarHBondContact O-CB 3.47Å; S299-T303 PolarHBondContact O-N 3.17Å; S299-T303 PolarHBondContact O-OG1 2.98Å; S299-T303 VanDerWaalsContact O-OG1 3.08Å
300	L	95.9	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-49.7	175.9	170.6	63.1	0	0	0	111.3	Y226 V228 L238 V240 V273 L291 L296 A297 Y298 R302 T303 I304	Y226-L300 HydrophobicContact CD1-CB 4.1Å; Y226-L300 HydrophobicContact CD2-CB 4.42Å; Y226-L300 HydrophobicContact CD2-CD1 3.56Å; Y226-L300 HydrophobicContact CE1-CB 4.1Å; Y226-L300 HydrophobicContact CE2-CB 4.4Å; Y226-L300 HydrophobicContact CE2-CD1 3.86Å; Y226-L300 HydrophobicContact CG-CB 4.26Å; Y226-L300 HydrophobicContact CG-CD1 3.98Å; V228-L300 HydrophobicContact CG1-CD2 4.41Å; L238-L300 HydrophobicContact CD2-CD1 4.1Å; L238-L300 HydrophobicContact CD2-CD2 3.86Å; V240-L300 HydrophobicContact CG2-CD1 3.77Å; V273-L300 HydrophobicContact CB-CD2 4.05Å; V273-L300 HydrophobicContact CG1-CD2 4.23Å; V273-L300 HydrophobicContact CG2-CB 4.39Å; V273-L300 HydrophobicContact CG2-CD2 3.91Å; V273-L300 HydrophobicContact CG2-CG 4.27Å; L291-L300 HydrophobicContact CD1-CD2 3.82Å; L291-L300 HydrophobicContact CD2-CB 4.21Å; L291-L300 HydrophobicContact CD2-CD2 3.98Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 PolarHBondContact O-N 2.68Å; A297-L300 PolarHBondContact O-N 2.77Å; Y298-L300 PolarHBondContact O-N 3.41Å; L300-R302 VanDerWaalsContact C-N 3.3Å; L300-R302 PolarHBondContact O-N 3.01Å; L300-T303 PolarHBondContact O-N 2.78Å; L300-I304 HydrophobicContact CD1-CD1 3.64Å; L300-I304 HydrophobicContact CD1-CG1 4.09Å; L300-I304 HydrophobicContact CG-CD1 3.97Å; L300-I304 WeakPolarHBondContact O-CG1 3.35Å; L300-I304 PolarHBondContact O-N 3.22Å
301	Y	95.1	Very high	93.5	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-54.6	-45.4	175.5	164.5	-87.7	0	0	0	112.3	I266 N268 A297 Y298 T305 F342 R636 R637 V638	I266-Y301 HydrophobicContact CD1-CD2 4.31Å; I266-Y301 HydrophobicContact CG1-CD2 4.04Å; I266-Y301 HydrophobicContact CG2-CD2 4.3Å; I266-Y301 HydrophobicContact CG2-CE2 4.25Å; N268-Y301 HydrophobicContact CB-CD1 4.49Å; N268-Y301 HydrophobicContact CB-CD2 3.61Å; N268-Y301 HydrophobicContact CB-CE2 4.32Å; N268-Y301 HydrophobicContact CB-CG 3.72Å; A297-Y301 WeakPolarHBondContact O-CB 3.35Å; A297-Y301 PolarHBondContact O-N 3.2Å; A297-Y301 VanDerWaalsContact O-N 3.08Å; Y298-Y301 HydrophobicContact CD2-CD1 4.06Å; Y298-Y301 AromaticContact CE2-CD1 3.94Å; Y298-Y301 HydrophobicContact CE2-CD1 3.94Å; Y298-Y301 HydrophobicContact CE2-CE1 4.12Å; Y298-Y301 PolarHBondContact O-N 3.06Å; Y301-T305 PolarHBondContact O-N 2.92Å; Y301-T305 VanDerWaalsContact O-N 3.12Å; Y301-T305 PolarHBondContact O-OG1 3.48Å; Y301-F342 AromaticContact CE1-CE1 3.94Å; Y301-F342 HydrophobicContact CE1-CE1 3.94Å; Y301-F342 AromaticContact CE1-CZ 3.96Å; Y301-F342 HydrophobicContact CE1-CZ 3.96Å; Y301-R636 HydrophobicContact CE1-CB 4.24Å; Y301-R636 HydrophobicContact CE2-CB 4.2Å; Y301-R637 PolarHBondContact OH-N 3.08Å; Y301-V638 WeakPolarHBondContact OH-CG2 3.33Å
302	R	93.7	Very high	93.3	Very high	16 Å²	16	25.6 Å²	25.6	6%	0.06	13%	0.129	C	C	.	.	H	α-helix	trans	-67.3	-46.7	178.2	-170.5	-164.6	52.7	175.2	-17.4	111.1	W85 Y298 S299 L300 I304 T305 E306 A341 F342	W85-R302 VanDerWaalsContact O-CZ 3.29Å; W85-R302 PolarHBondContact O-NH1 3.39Å; W85-R302 PolarHBondContact O-NH2 3.31Å; Y298-R302 VanDerWaalsContact O-CB 3.3Å; Y298-R302 WeakPolarHBondContact O-CB 3.35Å; Y298-R302 PolarHBondContact O-N 3.27Å; S299-R302 PolarHBondContact O-N 3.1Å; L300-R302 VanDerWaalsContact C-N 3.3Å; L300-R302 PolarHBondContact O-N 3.01Å; R302-I304 PolarHBondContact O-N 3.07Å; R302-T305 PolarHBondContact O-N 3.45Å; R302-E306 VanDerWaalsContact CD-OE1 3.24Å; R302-E306 WeakPolarHBondContact CD-OE1 3.43Å; R302-E306 HydrophobicContact CG-CG 4.21Å; R302-E306 VanDerWaalsContact CG-OE1 3.25Å; R302-E306 WeakPolarHBondContact CG-OE1 3.17Å; R302-E306 IonicContact NE-OE1 3.11Å; R302-E306 IonicContact NE-OE2 2.73Å; R302-E306 WeakPolarHBondContact O-CB 3.31Å; R302-E306 VanDerWaalsContact O-CG 3.3Å; R302-E306 WeakPolarHBondContact O-CG 3.5Å; R302-E306 PolarHBondContact O-N 3.3Å; R302-A341 WeakPolarHBondContact CD-O 3.35Å; R302-F342 HydrophobicContact CG-CD1 3.73Å; R302-F342 HydrophobicContact CG-CE1 4.27Å
303	T	95.2	Very high	93	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-42.8	177.6	-68.5	0	0	0	0	112.1	Y224 Y226 V240 S299 L300 E306 V307	Y224-T303 HydrophobicContact CD2-CG2 3.9Å; Y224-T303 HydrophobicContact CG-CG2 4.2Å; Y226-T303 HydrophobicContact CE2-CG2 4.39Å; Y226-T303 PolarHBondContact OH-OG1 3.36Å; V240-T303 HydrophobicContact CB-CG2 4.2Å; V240-T303 HydrophobicContact CG1-CG2 4.24Å; V240-T303 HydrophobicContact CG2-CG2 4.33Å; S299-T303 WeakPolarHBondContact O-CB 3.47Å; S299-T303 PolarHBondContact O-N 3.17Å; S299-T303 PolarHBondContact O-OG1 2.98Å; S299-T303 VanDerWaalsContact O-OG1 3.08Å; L300-T303 PolarHBondContact O-N 2.78Å; T303-E306 PolarHBondContact O-N 3.45Å; T303-V307 HydrophobicContact CG2-CG2 4.1Å; T303-V307 VanDerWaalsContact O-CB 3.3Å; T303-V307 WeakPolarHBondContact O-CB 3.37Å; T303-V307 WeakPolarHBondContact O-CG2 3.3Å; T303-V307 PolarHBondContact O-N 3.33Å
304	I	95.8	Very high	92.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-47	175	-69.6	165.8	0	0	0	110.9	V240 I245 F260 I266 L275 L300 R302 E306 H308 W640	V240-I304 HydrophobicContact CB-CG1 4.35Å; V240-I304 HydrophobicContact CG1-CB 4.49Å; V240-I304 HydrophobicContact CG1-CG1 3.87Å; V240-I304 HydrophobicContact CG2-CD1 4.18Å; V240-I304 HydrophobicContact CG2-CG1 3.5Å; V240-I304 VanDerWaalsContact CG2-CG1 3.5Å; I245-I304 HydrophobicContact CD1-CD1 3.89Å; I245-I304 HydrophobicContact CD1-CG1 4.12Å; I245-I304 HydrophobicContact CD1-CG2 3.8Å; F260-I304 HydrophobicContact CE1-CG2 4.46Å; I266-I304 HydrophobicContact CD1-CB 3.76Å; I266-I304 HydrophobicContact CD1-CD1 3.48Å; I266-I304 VanDerWaalsContact CD1-CD1 3.48Å; I266-I304 HydrophobicContact CD1-CG1 4.2Å; I266-I304 HydrophobicContact CD1-CG2 3.73Å; L275-I304 HydrophobicContact CD2-CD1 4.05Å; L300-I304 HydrophobicContact CD1-CD1 3.64Å; L300-I304 HydrophobicContact CD1-CG1 4.09Å; L300-I304 HydrophobicContact CG-CD1 3.97Å; L300-I304 WeakPolarHBondContact O-CG1 3.35Å; L300-I304 PolarHBondContact O-N 3.22Å; R302-I304 PolarHBondContact O-N 3.07Å; I304-E306 PolarHBondContact O-N 3.05Å; I304-H308 VanDerWaalsContact O-CB 3.31Å; I304-H308 WeakPolarHBondContact O-CB 3.21Å; I304-H308 PolarHBondContact O-N 3.17Å; I304-W640 HydrophobicContact CG2-CH2 4.06Å; I304-W640 HydrophobicContact CG2-CZ2 4.13Å
305	T	93.1	Very high	92.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-43.1	179.9	-53.6	0	0	0	0	111.9	Y301 R302 A309 F342 V638	Y301-T305 PolarHBondContact O-N 2.92Å; Y301-T305 VanDerWaalsContact O-N 3.12Å; Y301-T305 PolarHBondContact O-OG1 3.48Å; R302-T305 PolarHBondContact O-N 3.45Å; T305-A309 VanDerWaalsContact O-CB 3.31Å; T305-A309 WeakPolarHBondContact O-CB 3.42Å; T305-A309 PolarHBondContact O-N 3.37Å; T305-F342 HydrophobicContact CG2-CD1 3.93Å; T305-F342 HydrophobicContact CG2-CE1 3.5Å; T305-F342 HydrophobicContact CG2-CE2 4.25Å; T305-F342 HydrophobicContact CG2-CZ 3.69Å; T305-V638 HydrophobicContact CG2-CG1 4.2Å; T305-V638 HydrophobicContact CG2-CG2 4.06Å
306	E	94.2	Very high	92.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-70.4	-43.7	-178.7	-74	172.8	171.8	0	0	112.6	K109 R302 T303 I304 A309 F310 F342 D343 L344	K109-E306 WeakPolarHBondContact CE-OE2 3.43Å; K109-E306 IonicContact NZ-OE1 2.69Å; K109-E306 IonicContact NZ-OE2 3.91Å; K109-E306 PolarHBondContact NZ-OE2 3.32Å; R302-E306 VanDerWaalsContact CD-OE1 3.24Å; R302-E306 WeakPolarHBondContact CD-OE1 3.43Å; R302-E306 HydrophobicContact CG-CG 4.21Å; R302-E306 VanDerWaalsContact CG-OE1 3.25Å; R302-E306 WeakPolarHBondContact CG-OE1 3.17Å; R302-E306 IonicContact NE-OE1 3.11Å; R302-E306 IonicContact NE-OE2 2.73Å; R302-E306 WeakPolarHBondContact O-CB 3.31Å; R302-E306 VanDerWaalsContact O-CG 3.3Å; R302-E306 WeakPolarHBondContact O-CG 3.5Å; R302-E306 PolarHBondContact O-N 3.3Å; T303-E306 PolarHBondContact O-N 3.45Å; I304-E306 PolarHBondContact O-N 3.05Å; E306-A309 PolarHBondContact O-N 3.45Å; E306-F310 WeakPolarHBondContact O-CB 3.16Å; E306-F310 PolarHBondContact O-N 2.82Å; E306-F342 HydrophobicContact CG-CB 4.15Å; E306-F342 HydrophobicContact CG-CD1 4.22Å; E306-F342 WeakPolarHBondContact OE1-CA 3.49Å; E306-D343 WeakPolarHBondContact OE1-CB 3.47Å; E306-D343 PolarHBondContact OE1-N 2.88Å; E306-L344 HydrophobicContact CG-CD2 4.48Å
307	V	94.8	Very high	91.6	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-41.8	178.2	172.4	0	0	0	0	110.6	Y110 V240 S241 F260 T303 F310 F311	Y110-V307 HydrophobicContact CE1-CG2 4.43Å; V240-V307 HydrophobicContact CG1-CB 4.11Å; V240-V307 HydrophobicContact CG1-CG1 4.22Å; V240-V307 HydrophobicContact CG1-CG2 4.28Å; S241-V307 WeakPolarHBondContact O-CG1 3.45Å; F260-V307 HydrophobicContact CE2-CG1 4.31Å; F260-V307 HydrophobicContact CZ-CG1 4.11Å; T303-V307 HydrophobicContact CG2-CG2 4.1Å; T303-V307 VanDerWaalsContact O-CB 3.3Å; T303-V307 WeakPolarHBondContact O-CB 3.37Å; T303-V307 WeakPolarHBondContact O-CG2 3.3Å; T303-V307 PolarHBondContact O-N 3.33Å; V307-F310 PolarHBondContact O-N 3.44Å; V307-F311 HydrophobicContact CG1-CD2 3.89Å; V307-F311 HydrophobicContact CG1-CE2 4.3Å; V307-F311 WeakPolarHBondContact O-CD2 3.31Å; V307-F311 PolarHBondContact O-N 2.84Å
308	H	92.8	Very high	91	Very high	29 Å²	29	35.3 Å²	35.3	13%	0.134	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-54.5	172.8	175	-99.3	0	0	0	112.1	F260 I304 F310 F311 Q312 W640	F260-H308 HydrophobicContact CE1-CB 4.45Å; F260-H308 AromaticContact CG-CD2 3.93Å; I304-H308 VanDerWaalsContact O-CB 3.31Å; I304-H308 WeakPolarHBondContact O-CB 3.21Å; I304-H308 PolarHBondContact O-N 3.17Å; H308-F310 PolarHBondContact O-N 2.89Å; H308-F311 PolarHBondContact O-N 2.98Å; H308-Q312 WeakPolarHBondContact O-CA 3.31Å; H308-Q312 WeakPolarHBondContact O-CB 3.4Å; H308-Q312 PolarHBondContact O-N 3.39Å; H308-W640 HydrophobicContact CB-CH2 3.53Å; H308-W640 HydrophobicContact CB-CZ2 3.46Å; H308-W640 VanDerWaalsContact CB-CZ2 3.46Å; H308-W640 HydrophobicContact CB-CZ3 4.25Å; H308-W640 AromaticContact CD2-CD2 4Å; H308-W640 AromaticContact CD2-CE3 3.62Å; H308-W640 AromaticContact CD2-CH2 3.61Å; H308-W640 AromaticContact CD2-CZ2 3.96Å; H308-W640 AromaticContact CD2-CZ3 3.39Å; H308-W640 WeakPolarHBondContact CD2-CZ3 3.16Å; H308-W640 AromaticContact CE1-CD2 3.62Å; H308-W640 AromaticContact CE1-CE2 3.85Å; H308-W640 AromaticContact CE1-CE3 3.9Å; H308-W640 AromaticContact CE1-CG 3.9Å; H308-W640 AromaticContact CG-CD2 3.96Å; H308-W640 AromaticContact CG-CE2 3.61Å; H308-W640 AromaticContact CG-CE3 3.99Å; H308-W640 AromaticContact CG-CH2 3.45Å; H308-W640 VanDerWaalsContact CG-CH2 3.45Å; H308-W640 AromaticContact CG-CZ2 3.39Å; H308-W640 AromaticContact CG-CZ3 3.73Å; H308-W640 AromaticContact ND1-CD2 3.74Å; H308-W640 AromaticContact ND1-CE2 3.45Å; H308-W640 AromaticContact ND1-CZ2 3.72Å; H308-W640 AromaticContact ND1-NE1 3.67Å; H308-W640 AromaticContact NE2-CD2 3.79Å; H308-W640 AromaticContact NE2-CE3 3.57Å; H308-W640 AromaticContact NE2-CZ3 3.87Å
309	A	92.1	Very high	90.6	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-23.1	-177.5	0	0	0	0	0	113.4	T305 E306 L344	T305-A309 VanDerWaalsContact O-CB 3.31Å; T305-A309 WeakPolarHBondContact O-CB 3.42Å; T305-A309 PolarHBondContact O-N 3.37Å; E306-A309 PolarHBondContact O-N 3.45Å; A309-L344 HydrophobicContact CB-CD1 3.8Å; A309-L344 HydrophobicContact CB-CD2 3.68Å; A309-L344 HydrophobicContact CB-CG 4.42Å
310	F	94.7	Very high	90	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-77.8	-46.8	173.5	-170.4	-98.7	0	0	0	112.5	Y71 Y110 E306 V307 H308 Y346 F348 V351	Y71-F310 HydrophobicContact CD1-CE1 4.24Å; Y71-F310 AromaticContact CD1-CZ 3.8Å; Y71-F310 HydrophobicContact CD1-CZ 3.8Å; Y71-F310 HydrophobicContact CE1-CE1 4.31Å; Y71-F310 AromaticContact CE1-CZ 3.89Å; Y71-F310 HydrophobicContact CE1-CZ 3.89Å; Y110-F310 VanDerWaalsContact CB-CE1 3.46Å; Y110-F310 HydrophobicContact CD1-CB 4.3Å; Y110-F310 AromaticContact CD1-CD1 3.9Å; Y110-F310 HydrophobicContact CD1-CD1 3.9Å; Y110-F310 HydrophobicContact CD1-CE1 4.44Å; Y110-F310 HydrophobicContact CD1-CG 4.04Å; Y110-F310 AromaticContact CD2-CD1 3.88Å; Y110-F310 HydrophobicContact CD2-CD1 3.88Å; Y110-F310 AromaticContact CD2-CD2 3.74Å; Y110-F310 HydrophobicContact CD2-CD2 3.74Å; Y110-F310 AromaticContact CD2-CE1 3.79Å; Y110-F310 HydrophobicContact CD2-CE1 3.79Å; Y110-F310 AromaticContact CD2-CE2 3.67Å; Y110-F310 HydrophobicContact CD2-CE2 3.67Å; Y110-F310 AromaticContact CD2-CG 3.85Å; Y110-F310 HydrophobicContact CD2-CG 3.85Å; Y110-F310 AromaticContact CD2-CZ 3.69Å; Y110-F310 HydrophobicContact CD2-CZ 3.69Å; Y110-F310 HydrophobicContact CE1-CB 4.1Å; Y110-F310 HydrophobicContact CE1-CD1 4.48Å; Y110-F310 HydrophobicContact CE1-CG 4.16Å; Y110-F310 HydrophobicContact CE2-CD1 4.45Å; Y110-F310 AromaticContact CE2-CD2 3.68Å; Y110-F310 HydrophobicContact CE2-CD2 3.68Å; Y110-F310 AromaticContact CE2-CE2 3.93Å; Y110-F310 HydrophobicContact CE2-CE2 3.93Å; Y110-F310 AromaticContact CE2-CG 3.97Å; Y110-F310 HydrophobicContact CE2-CG 3.97Å; Y110-F310 HydrophobicContact CE2-CZ 4.41Å; Y110-F310 AromaticContact CG-CD1 3.57Å; Y110-F310 HydrophobicContact CG-CD1 3.57Å; Y110-F310 HydrophobicContact CG-CD2 4.26Å; Y110-F310 AromaticContact CG-CE1 3.66Å; Y110-F310 HydrophobicContact CG-CE1 3.66Å; Y110-F310 HydrophobicContact CG-CE2 4.35Å; Y110-F310 AromaticContact CG-CG 3.89Å; Y110-F310 HydrophobicContact CG-CG 3.89Å; Y110-F310 HydrophobicContact CG-CZ 4.06Å; E306-F310 WeakPolarHBondContact O-CB 3.16Å; E306-F310 PolarHBondContact O-N 2.82Å; V307-F310 PolarHBondContact O-N 3.44Å; H308-F310 PolarHBondContact O-N 2.89Å; F310-Y346 VanDerWaalsContact CD2-O 3.29Å; F310-Y346 WeakPolarHBondContact CD2-O 3.41Å; F310-F348 HydrophobicContact CD1-CB 3.97Å; F310-F348 HydrophobicContact CE1-CB 3.7Å; F310-F348 HydrophobicContact CE1-CD2 4.32Å; F310-F348 HydrophobicContact CE1-CG 4.5Å; F310-F348 HydrophobicContact CZ-CB 4.15Å; F310-F348 WeakPolarHBondContact O-CB 3.37Å; F310-F348 PolarHBondContact O-N 3.19Å; F310-V351 HydrophobicContact CE2-CG2 4.08Å; F310-V351 HydrophobicContact CZ-CG2 4.29Å
311	F	94.4	Very high	89.3	Confident	41 Å²	41	40.3 Å²	40.3	18%	0.18	22%	0.215	C	C	.	.	H	α-helix	trans	-97.3	-24.8	-170.7	-74.5	-75.2	0	0	0	115.7	Y110 V112 P242 V307 H308 F348	Y110-F311 HydrophobicContact CD1-CE2 4.11Å; Y110-F311 HydrophobicContact CG-CE2 4.47Å; V112-F311 HydrophobicContact CG1-CE1 4.14Å; P242-F311 HydrophobicContact CB-CD1 4.05Å; P242-F311 HydrophobicContact CB-CD2 3.79Å; P242-F311 HydrophobicContact CB-CE1 4.04Å; P242-F311 HydrophobicContact CB-CE2 3.78Å; P242-F311 HydrophobicContact CB-CG 3.92Å; P242-F311 HydrophobicContact CB-CZ 3.9Å; P242-F311 HydrophobicContact CG-CD2 4.45Å; P242-F311 HydrophobicContact CG-CE1 4.49Å; P242-F311 HydrophobicContact CG-CE2 3.96Å; P242-F311 HydrophobicContact CG-CZ 3.98Å; P242-F311 WeakPolarHBondContact O-CB 3.46Å; V307-F311 HydrophobicContact CG1-CD2 3.89Å; V307-F311 HydrophobicContact CG1-CE2 4.3Å; V307-F311 WeakPolarHBondContact O-CD2 3.31Å; V307-F311 PolarHBondContact O-N 2.84Å; H308-F311 PolarHBondContact O-N 2.98Å; F311-F348 HydrophobicContact CD1-CB 4.32Å; F311-F348 HydrophobicContact CD1-CG 4.41Å
312	Q	90.3	Very high	88.8	Confident	94 Å²	94	43.9 Å²	43.9	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-6.1	-168.5	-54.9	-62.1	-32.7	0	0	114.2	P242 F260 H308	P242-Q312 PolarHBondContact O-NE2 2.78Å; F260-Q312 HydrophobicContact CB-CG 4.33Å; F260-Q312 HydrophobicContact CD2-CG 3.6Å; F260-Q312 HydrophobicContact CE2-CG 4.3Å; F260-Q312 HydrophobicContact CG-CG 4.32Å; H308-Q312 WeakPolarHBondContact O-CA 3.31Å; H308-Q312 WeakPolarHBondContact O-CB 3.4Å; H308-Q312 PolarHBondContact O-N 3.39Å
313	S	87.1	Confident	88.3	Confident	32 Å²	32	46 Å²	46	22%	0.224	25%	0.245	C	C	.	.			trans	-105.6	130.6	177.5	-56.2	0	0	0	0	110.3	S315 T347	S313-S315 VanDerWaalsContact C-N 3.32Å; S313-T347 VanDerWaalsContact O-CG2 3.27Å; S313-T347 WeakPolarHBondContact O-CG2 3.22Å
314	D	84.8	Confident	87.6	Confident	136 Å²	136	48.2 Å²	48.2	73%	0.727	26%	0.259	S	S	*	.	S	Bend	trans	-65.9	-37.3	174.9	-65.9	-54.1	0	0	0	111.8
315	S	84.6	Confident	86.7	Confident	81 Å²	81	49.5 Å²	49.5	57%	0.566	27%	0.266	S	S	*	.	S	Bend	trans	-142.3	157.6	174.1	67.4	0	0	0	0	111	S313	S313-S315 VanDerWaalsContact C-N 3.32Å
316	I	83.2	Confident	85	Confident	22 Å²	22	60.1 Å²	60.1	11%	0.113	31%	0.306	C	S	.	.			trans	-96.3	117.8	-177.8	-51.3	-178.6	0	0	0	109.5	Q318 I321 L344 T347	I316-Q318 PolarHBondContact O-N 3.35Å; I316-I321 HydrophobicContact CB-CD1 4.1Å; I316-I321 HydrophobicContact CB-CG1 4.22Å; I316-I321 HydrophobicContact CG2-CD1 4.04Å; I316-I321 HydrophobicContact CG2-CG1 3.59Å; I316-L344 HydrophobicContact CD1-CB 4.08Å; I316-L344 HydrophobicContact CD1-CD2 4.18Å; I316-L344 HydrophobicContact CG2-CB 4.09Å; I316-L344 HydrophobicContact CG2-CD1 4.07Å; I316-T347 HydrophobicContact CD1-CG2 4.23Å; I316-T347 HydrophobicContact CG1-CG2 3.62Å
317	K	82.5	Confident	82.7	Confident	105 Å²	105	64.9 Å²	64.9	46%	0.457	33%	0.328	S	S	.	.			trans	-58.1	127	177.1	-61.6	-163.5	178.9	-163.4	0	110.2	S319 L320 I321 E643	K317-S319 PolarHBondContact O-N 3.09Å; K317-L320 WeakPolarHBondContact O-CB 3.2Å; K317-L320 PolarHBondContact O-N 3.02Å; K317-I321 PolarHBondContact O-N 3.14Å; K317-E643 IonicContact NZ-OE2 3.13Å; K317-E643 PolarHBondContact NZ-OE2 2.74Å
318	Q	82.1	Confident	80.2	Confident	114 Å²	114	68.7 Å²	68.7	53%	0.533	36%	0.356	S	S	.	.	H	α-helix	trans	-53.8	-31.4	-176.8	-173	63.5	26.4	0	0	113.3	I316 L320 I321 D322	I316-Q318 PolarHBondContact O-N 3.35Å; Q318-L320 VanDerWaalsContact C-N 3.27Å; Q318-L320 PolarHBondContact O-N 3.23Å; Q318-I321 WeakPolarHBondContact O-CB 3.46Å; Q318-I321 PolarHBondContact O-N 2.74Å; Q318-D322 PolarHBondContact NE2-OD2 2.68Å; Q318-D322 PolarHBondContact O-N 3.45Å
319	S	82.5	Confident	77.8	Confident	89 Å²	89	75.8 Å²	75.8	62%	0.622	39%	0.386	S	S	*	.	H	α-helix	trans	-61.8	-27.9	174.9	52.3	0	0	0	0	114.4	K317 Q323	K317-S319 PolarHBondContact O-N 3.09Å; S319-Q323 WeakPolarHBondContact O-CB 3.23Å; S319-Q323 PolarHBondContact O-N 3.12Å
320	L	80.5	Confident	75.3	Confident	39 Å²	39	80.8 Å²	80.8	20%	0.204	42%	0.417	C	S	.	.	H	α-helix	trans	-81.7	-33.5	170.7	-68	170.2	0	0	0	111.7	K317 Q318 Q323 F342 L344 V638	K317-L320 WeakPolarHBondContact O-CB 3.2Å; K317-L320 PolarHBondContact O-N 3.02Å; Q318-L320 VanDerWaalsContact C-N 3.27Å; Q318-L320 PolarHBondContact O-N 3.23Å; L320-Q323 PolarHBondContact O-N 3.07Å; L320-F342 HydrophobicContact CD2-CE2 4.35Å; L320-L344 HydrophobicContact CB-CD1 4.23Å; L320-V638 HydrophobicContact CD2-CG1 4.47Å; L320-V638 HydrophobicContact CD2-CG2 4.31Å
321	I	83	Confident	73	Confident	31 Å²	31	84.4 Å²	84.4	16%	0.159	44%	0.442	C	S	.	.	H	α-helix	trans	-64.4	-43.4	175.5	-61.2	179.8	0	0	0	110.3	R89 I316 K317 Q318	R89-I321 PolarHBondContact NH1-O 3.26Å; R89-I321 PolarHBondContact NH2-O 2.9Å; I316-I321 HydrophobicContact CB-CD1 4.1Å; I316-I321 HydrophobicContact CB-CG1 4.22Å; I316-I321 HydrophobicContact CG2-CD1 4.04Å; I316-I321 HydrophobicContact CG2-CG1 3.59Å; K317-I321 PolarHBondContact O-N 3.14Å; Q318-I321 WeakPolarHBondContact O-CB 3.46Å; Q318-I321 PolarHBondContact O-N 2.74Å
322	D	84.1	Confident	70.4	Confident	75 Å²	75	88.7 Å²	88.7	40%	0.401	47%	0.465	S	S	.	.	S	Bend	trans	-90.6	3.8	-179.9	-73.4	-39.7	0	0	0	114.3	Q318 T324	Q318-D322 PolarHBondContact NE2-OD2 2.68Å; Q318-D322 PolarHBondContact O-N 3.45Å; D322-T324 PolarHBondContact O-N 2.85Å
323	Q	82.4	Confident	68.4	Low	61 Å²	61	93 Å²	93	29%	0.285	48%	0.482	S	S	.	.			trans	-65.5	110	178.5	-173.9	164.6	-6.5	0	0	110.9	S319 L320 A341 F342	S319-Q323 WeakPolarHBondContact O-CB 3.23Å; S319-Q323 PolarHBondContact O-N 3.12Å; L320-Q323 PolarHBondContact O-N 3.07Å; Q323-A341 HydrophobicContact CG-CB 4.11Å; Q323-A341 WeakPolarHBondContact O-CB 3.25Å; Q323-A341 PolarHBondContact O-N 3.13Å; Q323-F342 HydrophobicContact CB-CE2 4.37Å; Q323-F342 HydrophobicContact CG-CE2 4.32Å
324	T	81.8	Confident	66.5	Low	49 Å²	49	94.2 Å²	94.2	30%	0.301	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-92.9	156.6	177	47.5	0	0	0	0	112.7	D322 R326 K338 E339 Y340	D322-T324 PolarHBondContact O-N 2.85Å; T324-R326 PolarHBondContact O-N 2.84Å; T324-R326 VanDerWaalsContact O-N 3.08Å; T324-K338 HydrophobicContact CG2-CB 4Å; T324-K338 HydrophobicContact CG2-CD 4.47Å; T324-K338 HydrophobicContact CG2-CG 4.26Å; T324-E339 CarbonylContact C-O 3.43Å; T324-E339 WeakPolarHBondContact CA-O 3.12Å; T324-E339 VanDerWaalsContact CB-O 3.23Å; T324-E339 WeakPolarHBondContact CB-O 3.13Å; T324-E339 WeakPolarHBondContact CG2-O 3.34Å; T324-Y340 HydrophobicContact CG2-CD1 4.44Å
325	V	75.3	Confident	64.7	Low	27 Å²	27	96.1 Å²	96.1	16%	0.164	49%	0.49	C	S	.	.			trans	-69.3	97.1	167.5	177.7	0	0	0	0	108.4	E327 E339	V325-E327 VanDerWaalsContact C-N 3.32Å; V325-E327 PolarHBondContact O-N 2.92Å; V325-E339 HydrophobicContact CB-CB 4.25Å; V325-E339 HydrophobicContact CB-CG 4.17Å; V325-E339 HydrophobicContact CG2-CB 4.48Å; V325-E339 HydrophobicContact CG2-CG 3.96Å; V325-E339 PolarHBondContact N-O 2.94Å
326	R	57.8	Low	63.1	Low	225 Å²	225	98.9 Å²	98.9	85%	0.849	50%	0.499	S	S	*	.			trans	-76.5	75.1	175	-77.6	-174.5	165.3	-172.6	-3.6	111.7	T324	T324-R326 PolarHBondContact O-N 2.84Å; T324-R326 VanDerWaalsContact O-N 3.08Å
327	E	45.3	Very low	61.9	Low	100 Å²	100	98.2 Å²	98.2	47%	0.467	50%	0.497	S	S	.	.			trans	-151.2	142.6	169.6	-103.7	131.1	-117.9	0	0	113.2	V325 S634 R636	V325-E327 VanDerWaalsContact C-N 3.32Å; V325-E327 PolarHBondContact O-N 2.92Å; E327-S634 WeakPolarHBondContact OE1-CB 3.46Å; E327-S634 PolarHBondContact OE1-OG 2.58Å; E327-R636 VanDerWaalsContact CD-NH2 3.28Å; E327-R636 IonicContact OE1-NH2 3.98Å; E327-R636 PolarHBondContact OE1-NH2 2.97Å; E327-R636 IonicContact OE2-CZ 3.02Å; E327-R636 IonicContact OE2-NH2 3.84Å; E327-R636 PolarHBondContact OE2-NH2 2.91Å
328	S	43.7	Very low	61.4	Low	86 Å²	86	99.9 Å²	99.9	60%	0.601	50%	0.504	S	S	*	.			trans	71.9	136.8	175.9	-156.9	0	0	0	0	118.6	T330 S331	S328-T330 PolarHBondContact O-N 2.9Å; S328-T330 VanDerWaalsContact O-N 3.09Å; S328-T330 PolarHBondContact OG-OG1 3.01Å; S328-S331 PolarHBondContact O-N 3.12Å
329	F	41.1	Very low	61.3	Low	177 Å²	177	98.2 Å²	98.2	78%	0.776	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-64.7	-11.7	-178	-75.2	-93.8	0	0	0	114.5	S331 M332	F329-S331 PolarHBondContact O-N 3.46Å; F329-S331 VanDerWaalsContact O-N 3.15Å; F329-M332 VanDerWaalsContact O-CB 3.3Å; F329-M332 WeakPolarHBondContact O-CB 3.41Å; F329-M332 VanDerWaalsContact O-CG 3.27Å; F329-M332 WeakPolarHBondContact O-CG 2.92Å; F329-M332 PolarHBondContact O-N 3.05Å; F329-M332 VanDerWaalsContact O-N 3.07Å
330	T	39.6	Very low	61.4	Low	109 Å²	109	96.4 Å²	96.4	67%	0.669	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-59.4	-20.7	176.3	23.8	0	0	0	0	113.9	S328 M332	S328-T330 PolarHBondContact O-N 2.9Å; S328-T330 VanDerWaalsContact O-N 3.09Å; S328-T330 PolarHBondContact OG-OG1 3.01Å; T330-M332 PolarHBondContact O-N 3.21Å
331	S	46.2	Very low	61.7	Low	79 Å²	79	94.8 Å²	94.8	55%	0.552	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-71.3	-12.9	174.7	77.6	0	0	0	0	114.2	S328 F329 F333	S328-S331 PolarHBondContact O-N 3.12Å; F329-S331 PolarHBondContact O-N 3.46Å; F329-S331 VanDerWaalsContact O-N 3.15Å; S331-F333 VanDerWaalsContact C-N 3.32Å; S331-F333 PolarHBondContact O-N 3Å
332	M	40.3	Very low	62	Low	132 Å²	132	93.4 Å²	93.4	65%	0.65	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-70.9	-23.8	-177	-67.1	-84.1	-72.4	0	0	113.7	F329 T330	F329-M332 VanDerWaalsContact O-CB 3.3Å; F329-M332 WeakPolarHBondContact O-CB 3.41Å; F329-M332 VanDerWaalsContact O-CG 3.27Å; F329-M332 WeakPolarHBondContact O-CG 2.92Å; F329-M332 PolarHBondContact O-N 3.05Å; F329-M332 VanDerWaalsContact O-N 3.07Å; T330-M332 PolarHBondContact O-N 3.21Å
333	F	47.9	Very low	62	Low	184 Å²	184	90.6 Å²	90.6	81%	0.807	45%	0.447	S	S	*	.	S	Bend	trans	-112.9	-2.6	-168.2	-62.2	-76.4	0	0	0	114.6	S331	S331-F333 VanDerWaalsContact C-N 3.32Å; S331-F333 PolarHBondContact O-N 3Å
334	D	48.1	Very low	62	Low	58 Å²	58	87.8 Å²	87.8	31%	0.31	43%	0.434	S	S	.	.			trans	-120.1	89.6	-179.8	-164.6	-17.3	0	0	0	107	R91 R94 N336 G337	R91-D334 IonicContact CZ-OD1 3.18Å; R91-D334 IonicContact CZ-OD2 2.78Å; R91-D334 IonicContact NH1-OD1 2.74Å; R91-D334 IonicContact NH1-OD2 3.24Å; R91-D334 PolarHBondContact NH1-OD2 3.39Å; R91-D334 IonicContact NH2-OD1 2.72Å; R91-D334 PolarHBondContact NH2-OD1 3.49Å; R91-D334 IonicContact NH2-OD2 3.98Å; R94-D334 IonicContact CZ-OD2 3.88Å; R94-D334 IonicContact NH2-OD2 3.9Å; R94-D334 PolarHBondContact NH2-OD2 2.69Å; D334-N336 PolarHBondContact O-N 2.86Å; D334-N336 VanDerWaalsContact O-N 3.09Å; D334-G337 WeakPolarHBondContact O-CA 3.32Å; D334-G337 PolarHBondContact O-N 3.03Å
335	H	46.3	Very low	62.1	Low	175 Å²	175	89.9 Å²	89.9	81%	0.81	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.4	-171.1	-71.3	-77.3	0	0	0	113.7	G337	H335-G337 VanDerWaalsContact C-N 3.28Å; H335-G337 PolarHBondContact O-N 2.81Å
336	N	50.7	Low	62.8	Low	140 Å²	140	93.4 Å²	93.4	75%	0.749	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	31.5	173.4	-66.9	13.6	0	0	0	111.5	R91 D334	R91-N336 PolarHBondContact NH2-O 3.36Å; D334-N336 PolarHBondContact O-N 2.86Å; D334-N336 VanDerWaalsContact O-N 3.09Å
337	G	59.3	Low	64.5	Low	7 Å²	7	82.7 Å²	82.7	7%	0.072	41%	0.407	C	S	.	.			trans	-100.3	4.8	-160.5	0	0	0	0	0	116.9	R94 D334 H335 E339	R94-G337 PolarHBondContact NH1-O 2.76Å; D334-G337 WeakPolarHBondContact O-CA 3.32Å; D334-G337 PolarHBondContact O-N 3.03Å; H335-G337 VanDerWaalsContact C-N 3.28Å; H335-G337 PolarHBondContact O-N 2.81Å; G337-E339 PolarHBondContact O-N 3.28Å
338	K	72.2	Confident	66.8	Low	140 Å²	140	79.7 Å²	79.7	61%	0.609	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-51	124.3	177.6	-67.3	-176.9	-178.5	179.4	0	110.7	T324 Y340	T324-K338 HydrophobicContact CG2-CB 4Å; T324-K338 HydrophobicContact CG2-CD 4.47Å; T324-K338 HydrophobicContact CG2-CG 4.26Å; K338-Y340 HydrophobicContact CB-CE2 4.47Å
339	E	80	Confident	69.2	Low	80 Å²	80	79.6 Å²	79.6	37%	0.374	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-103.9	120.2	167.7	-174.8	-178.6	170.7	0	0	107.9	N90 T324 V325 G337	N90-E339 VanDerWaalsContact ND2-CG 3.31Å; N90-E339 WeakPolarHBondContact ND2-CG 3.37Å; T324-E339 CarbonylContact C-O 3.43Å; T324-E339 WeakPolarHBondContact CA-O 3.12Å; T324-E339 VanDerWaalsContact CB-O 3.23Å; T324-E339 WeakPolarHBondContact CB-O 3.13Å; T324-E339 WeakPolarHBondContact CG2-O 3.34Å; V325-E339 HydrophobicContact CB-CB 4.25Å; V325-E339 HydrophobicContact CB-CG 4.17Å; V325-E339 HydrophobicContact CG2-CB 4.48Å; V325-E339 HydrophobicContact CG2-CG 3.96Å; V325-E339 PolarHBondContact N-O 2.94Å; G337-E339 PolarHBondContact O-N 3.28Å
340	Y	85	Confident	71.6	Confident	51 Å²	51	75 Å²	75	20%	0.2	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-82.3	146.7	-179.3	-61.3	-78.5	0	0	0	111.4	N87 R89 N90 T324 K338	N87-Y340 PolarHBondContact ND2-O 3.06Å; R89-Y340 HydrophobicContact CB-CD2 3.68Å; R89-Y340 HydrophobicContact CB-CE2 4.39Å; R89-Y340 HydrophobicContact CB-CG 4.18Å; N90-Y340 PolarHBondContact ND2-O 3.31Å; N90-Y340 PolarHBondContact OD1-N 3.46Å; T324-Y340 HydrophobicContact CG2-CD1 4.44Å; K338-Y340 HydrophobicContact CB-CE2 4.47Å
341	A	85	Confident	74.2	Confident	5 Å²	5	70 Å²	70	4%	0.041	33%	0.334	C	S	.	.	S	Bend	trans	-76.9	-32.3	179.1	0	0	0	0	0	113	Y298 R302 Q323	Y298-A341 PolarHBondContact OH-O 3.45Å; Y298-A341 VanDerWaalsContact OH-O 3.13Å; R302-A341 WeakPolarHBondContact CD-O 3.35Å; Q323-A341 HydrophobicContact CG-CB 4.11Å; Q323-A341 WeakPolarHBondContact O-CB 3.25Å; Q323-A341 PolarHBondContact O-N 3.13Å
342	F	89.5	Confident	76.4	Confident	1 Å²	1	68.2 Å²	68.2	0%	0.004	32%	0.316	C	S	.	.	S	Bend	trans	-135.1	159.3	-169.4	-49.5	-73.3	0	0	0	113.2	N87 Y301 R302 T305 E306 L320 Q323 L344 V638	N87-F342 PolarHBondContact ND2-O 3.31Å; Y301-F342 AromaticContact CE1-CE1 3.94Å; Y301-F342 HydrophobicContact CE1-CE1 3.94Å; Y301-F342 AromaticContact CE1-CZ 3.96Å; Y301-F342 HydrophobicContact CE1-CZ 3.96Å; R302-F342 HydrophobicContact CG-CD1 3.73Å; R302-F342 HydrophobicContact CG-CE1 4.27Å; T305-F342 HydrophobicContact CG2-CD1 3.93Å; T305-F342 HydrophobicContact CG2-CE1 3.5Å; T305-F342 HydrophobicContact CG2-CE2 4.25Å; T305-F342 HydrophobicContact CG2-CZ 3.69Å; E306-F342 HydrophobicContact CG-CB 4.15Å; E306-F342 HydrophobicContact CG-CD1 4.22Å; E306-F342 WeakPolarHBondContact OE1-CA 3.49Å; L320-F342 HydrophobicContact CD2-CE2 4.35Å; Q323-F342 HydrophobicContact CB-CE2 4.37Å; Q323-F342 HydrophobicContact CG-CE2 4.32Å; F342-L344 HydrophobicContact CB-CB 4.48Å; F342-L344 HydrophobicContact CB-CD1 4.05Å; F342-L344 HydrophobicContact CB-CG 3.88Å; F342-L344 HydrophobicContact CG-CD1 4.41Å; F342-L344 PolarHBondContact O-N 2.85Å; F342-V638 HydrophobicContact CE2-CG2 4.43Å; F342-V638 HydrophobicContact CZ-CG2 3.92Å
343	D	84.6	Confident	78.8	Confident	17 Å²	17	64 Å²	64	9%	0.091	30%	0.296	C	S	.	.			trans	-86.2	23.1	178.1	-67.4	-18.5	0	0	0	113.9	N87 S88 K109 E306 R345	N87-D343 VanDerWaalsContact C-OD1 3.24Å; N87-D343 WeakPolarHBondContact CA-OD1 3.48Å; N87-D343 VanDerWaalsContact CB-OD1 3.31Å; N87-D343 WeakPolarHBondContact CB-OD1 3.46Å; N87-D343 PolarHBondContact ND2-OD1 3.41Å; N87-D343 PolarHBondContact OD1-OD1 2.81Å; S88-D343 PolarHBondContact N-OD1 2.92Å; K109-D343 IonicContact NZ-OD2 3.35Å; K109-D343 PolarHBondContact NZ-OD2 2.98Å; E306-D343 WeakPolarHBondContact OE1-CB 3.47Å; E306-D343 PolarHBondContact OE1-N 2.88Å; D343-R345 PolarHBondContact O-N 2.84Å
344	L	82.6	Confident	80.9	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	28%	0.281	C	S	.	.			trans	-76.8	121.2	-172.5	-64.7	177.7	0	0	0	110.4	R89 E306 A309 I316 L320 F342	R89-L344 PolarHBondContact NH1-O 2.8Å; E306-L344 HydrophobicContact CG-CD2 4.48Å; A309-L344 HydrophobicContact CB-CD1 3.8Å; A309-L344 HydrophobicContact CB-CD2 3.68Å; A309-L344 HydrophobicContact CB-CG 4.42Å; I316-L344 HydrophobicContact CD1-CB 4.08Å; I316-L344 HydrophobicContact CD1-CD2 4.18Å; I316-L344 HydrophobicContact CG2-CB 4.09Å; I316-L344 HydrophobicContact CG2-CD1 4.07Å; L320-L344 HydrophobicContact CB-CD1 4.23Å; F342-L344 HydrophobicContact CB-CB 4.48Å; F342-L344 HydrophobicContact CB-CD1 4.05Å; F342-L344 HydrophobicContact CB-CG 3.88Å; F342-L344 HydrophobicContact CG-CD1 4.41Å; F342-L344 PolarHBondContact O-N 2.85Å
345	R	84.1	Confident	82.9	Confident	93 Å²	93	58.8 Å²	58.8	35%	0.351	27%	0.267	S	S	.	.	S	Bend	trans	-139.6	-38.7	173.3	-65.9	-167.7	-172.2	-154.9	2.5	112.2	D51 R89 D343	D51-R345 IonicContact OD2-NH2 2.68Å; D51-R345 PolarHBondContact OD2-NH2 2.88Å; R89-R345 HydrophobicContact CG-CG 4.4Å; D343-R345 PolarHBondContact O-N 2.84Å
346	Y	90	Very high	85	Confident	101 Å²	101	55.4 Å²	55.4	40%	0.396	25%	0.247	S	C	.	.			trans	-143.8	148.2	-177.6	-56.2	-67.5	0	0	0	111.6	S70 F310 E350 V351	S70-Y346 WeakPolarHBondContact OG-CD2 3.42Å; F310-Y346 VanDerWaalsContact CD2-O 3.29Å; F310-Y346 WeakPolarHBondContact CD2-O 3.41Å; Y346-E350 WeakPolarHBondContact CA-OE2 3.3Å; Y346-E350 HydrophobicContact CD1-CB 4.43Å; Y346-V351 HydrophobicContact CG-CG2 4.43Å
347	T	93.4	Very high	86.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	23%	0.231	C	C	.	.			trans	-79.8	164.9	166.3	75	0	0	0	0	111	S313 I316 L349 E350 V351	S313-T347 VanDerWaalsContact O-CG2 3.27Å; S313-T347 WeakPolarHBondContact O-CG2 3.22Å; I316-T347 HydrophobicContact CD1-CG2 4.23Å; I316-T347 HydrophobicContact CG1-CG2 3.62Å; T347-L349 PolarHBondContact O-N 3.26Å; T347-L349 PolarHBondContact OG1-N 2.76Å; T347-E350 PolarHBondContact N-OE2 3.29Å; T347-E350 PolarHBondContact O-N 3.38Å; T347-E350 WeakPolarHBondContact OG1-CG 3.4Å; T347-E350 PolarHBondContact OG1-N 2.91Å; T347-V351 WeakPolarHBondContact O-CG2 3.48Å; T347-V351 PolarHBondContact O-N 3.14Å; T347-V351 VanDerWaalsContact O-N 3.14Å
348	F	94	Very high	88	Confident	36 Å²	36	57.2 Å²	57.2	16%	0.158	24%	0.244	C	C	.	.	H	α-helix	trans	-50.8	-43.2	171.3	162.2	-109.7	0	0	0	112.5	Y71 V112 I116 F310 F311 Y352	Y71-F348 HydrophobicContact CE1-CD2 4.28Å; V112-F348 HydrophobicContact CB-CE2 4.15Å; V112-F348 HydrophobicContact CG1-CD2 3.59Å; V112-F348 HydrophobicContact CG1-CE2 3.62Å; I116-F348 HydrophobicContact CD1-CE2 4.04Å; I116-F348 HydrophobicContact CD1-CZ 3.69Å; I116-F348 HydrophobicContact CG1-CZ 4.38Å; I116-F348 HydrophobicContact CG2-CE2 3.82Å; I116-F348 HydrophobicContact CG2-CZ 3.87Å; F310-F348 HydrophobicContact CD1-CB 3.97Å; F310-F348 HydrophobicContact CE1-CB 3.7Å; F310-F348 HydrophobicContact CE1-CD2 4.32Å; F310-F348 HydrophobicContact CE1-CG 4.5Å; F310-F348 HydrophobicContact CZ-CB 4.15Å; F310-F348 WeakPolarHBondContact O-CB 3.37Å; F310-F348 PolarHBondContact O-N 3.19Å; F311-F348 HydrophobicContact CD1-CB 4.32Å; F311-F348 HydrophobicContact CD1-CG 4.41Å; F348-Y352 WeakPolarHBondContact O-CB 3.34Å; F348-Y352 PolarHBondContact O-N 3.48Å; F348-Y352 VanDerWaalsContact O-N 3.09Å
349	L	92.9	Very high	88.6	Confident	84 Å²	84	54.3 Å²	54.3	44%	0.44	23%	0.234	S	C	.	.	H	α-helix	trans	-68.4	-40.2	-177.6	-64.3	176.4	0	0	0	111.9	T347 Y352 D353	T347-L349 PolarHBondContact O-N 3.26Å; T347-L349 PolarHBondContact OG1-N 2.76Å; L349-Y352 PolarHBondContact O-N 2.88Å; L349-D353 WeakPolarHBondContact O-CB 3.44Å; L349-D353 PolarHBondContact O-N 3.31Å
350	E	92.6	Very high	88.8	Confident	82 Å²	82	57.6 Å²	57.6	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-42.9	177.9	-68.9	172.8	140.6	0	0	111.9	Y346 T347 R354	Y346-E350 WeakPolarHBondContact CA-OE2 3.3Å; Y346-E350 HydrophobicContact CD1-CB 4.43Å; T347-E350 PolarHBondContact N-OE2 3.29Å; T347-E350 PolarHBondContact O-N 3.38Å; T347-E350 WeakPolarHBondContact OG1-CG 3.4Å; T347-E350 PolarHBondContact OG1-N 2.91Å; E350-R354 WeakPolarHBondContact O-CB 3.39Å; E350-R354 PolarHBondContact O-N 2.76Å
351	V	92.9	Very high	88.7	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-45.9	176.2	178.8	0	0	0	0	110.8	Y71 F310 Y346 T347 A355	Y71-V351 HydrophobicContact CD1-CG1 4.13Å; Y71-V351 HydrophobicContact CE1-CB 4.15Å; Y71-V351 HydrophobicContact CE1-CG1 3.63Å; Y71-V351 HydrophobicContact CE2-CG1 4.08Å; F310-V351 HydrophobicContact CE2-CG2 4.08Å; F310-V351 HydrophobicContact CZ-CG2 4.29Å; Y346-V351 HydrophobicContact CG-CG2 4.43Å; T347-V351 WeakPolarHBondContact O-CG2 3.48Å; T347-V351 PolarHBondContact O-N 3.14Å; T347-V351 VanDerWaalsContact O-N 3.14Å; V351-A355 PolarHBondContact O-N 2.77Å; V351-A355 VanDerWaalsContact O-N 3.09Å
352	Y	93.1	Very high	88.6	Confident	42 Å²	42	62.3 Å²	62.3	17%	0.165	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-45	180	174.2	-127.9	0	0	0	112.6	I116 Q118 F348 L349 A355 R356	I116-Y352 HydrophobicContact CG2-CD1 4.44Å; I116-Y352 HydrophobicContact CG2-CD2 3.39Å; I116-Y352 HydrophobicContact CG2-CE2 3.75Å; I116-Y352 HydrophobicContact CG2-CG 3.8Å; Q118-Y352 HydrophobicContact CG-CD2 4.37Å; Q118-Y352 HydrophobicContact CG-CE2 4.08Å; F348-Y352 WeakPolarHBondContact O-CB 3.34Å; F348-Y352 PolarHBondContact O-N 3.48Å; F348-Y352 VanDerWaalsContact O-N 3.09Å; L349-Y352 PolarHBondContact O-N 2.88Å; Y352-A355 PolarHBondContact O-N 3.19Å; Y352-R356 PolarHBondContact O-N 2.77Å; Y352-R356 PolarHBondContact OH-NH2 3.38Å
353	D	91.2	Very high	88.1	Confident	43 Å²	43	66.7 Å²	66.7	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-69.6	-37.1	179.3	-164	58	0	0	0	111.7	L349 A355 R356 R357	L349-D353 WeakPolarHBondContact O-CB 3.44Å; L349-D353 PolarHBondContact O-N 3.31Å; D353-A355 PolarHBondContact O-N 3.13Å; D353-R356 WeakPolarHBondContact O-CB 3.35Å; D353-R356 PolarHBondContact O-N 2.78Å; D353-R356 IonicContact OD1-NH1 3.93Å; D353-R356 PolarHBondContact OD1-NH1 3.27Å; D353-R356 VanDerWaalsContact OD1-NH1 3.13Å; D353-R357 VanDerWaalsContact O-CG 3.31Å; D353-R357 WeakPolarHBondContact O-CG 3.38Å; D353-R357 PolarHBondContact O-N 3.3Å; D353-R357 IonicContact OD2-CZ 3.54Å; D353-R357 IonicContact OD2-NE 3.16Å; D353-R357 PolarHBondContact OD2-NE 3.35Å; D353-R357 IonicContact OD2-NH2 3.6Å; D353-R357 PolarHBondContact OD2-NH2 2.93Å
354	R	90.9	Very high	87.7	Confident	133 Å²	133	68 Å²	68	50%	0.502	31%	0.31	S	S	.	.	H	α-helix	trans	-57.7	-48.8	172.6	-173.8	-171.5	165.1	84.5	22.9	111.8	D67 E350 R356 R357 H358	D67-R354 HydrophobicContact CB-CG 4.09Å; D67-R354 IonicContact OD1-CZ 3.68Å; D67-R354 IonicContact OD1-NE 3.98Å; D67-R354 PolarHBondContact OD1-NE 2.73Å; D67-R354 IonicContact OD1-NH2 2.71Å; D67-R354 PolarHBondContact OD1-NH2 3.35Å; E350-R354 WeakPolarHBondContact O-CB 3.39Å; E350-R354 PolarHBondContact O-N 2.76Å; R354-R356 VanDerWaalsContact C-N 3.33Å; R354-R356 PolarHBondContact O-N 2.83Å; R354-R357 PolarHBondContact O-N 2.81Å; R354-H358 PolarHBondContact O-N 2.99Å
355	A	91.2	Very high	86.8	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-40.6	177.7	0	0	0	0	0	112.3	D67 E68 Q118 V351 Y352 D353 M359	D67-A355 HydrophobicContact CB-CB 4.14Å; E68-A355 HydrophobicContact CG-CB 3.66Å; Q118-A355 HydrophobicContact CG-CB 4.41Å; V351-A355 PolarHBondContact O-N 2.77Å; V351-A355 VanDerWaalsContact O-N 3.09Å; Y352-A355 PolarHBondContact O-N 3.19Å; D353-A355 PolarHBondContact O-N 3.13Å; A355-M359 WeakPolarHBondContact O-CG 3.38Å; A355-M359 PolarHBondContact O-N 2.85Å
356	R	89.8	Confident	85.7	Confident	104 Å²	104	74.8 Å²	74.8	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-47	174.3	-176	-163.6	-72.1	159.5	-14.8	112.2	Y352 D353 R354 M359 Y360	Y352-R356 PolarHBondContact O-N 2.77Å; Y352-R356 PolarHBondContact OH-NH2 3.38Å; D353-R356 WeakPolarHBondContact O-CB 3.35Å; D353-R356 PolarHBondContact O-N 2.78Å; D353-R356 IonicContact OD1-NH1 3.93Å; D353-R356 PolarHBondContact OD1-NH1 3.27Å; D353-R356 VanDerWaalsContact OD1-NH1 3.13Å; R354-R356 VanDerWaalsContact C-N 3.33Å; R354-R356 PolarHBondContact O-N 2.83Å; R356-M359 PolarHBondContact O-N 3.33Å; R356-Y360 PolarHBondContact O-N 3.32Å; R356-Y360 VanDerWaalsContact O-N 3.1Å
357	R	87.5	Confident	83.8	Confident	108 Å²	108	75 Å²	75	41%	0.408	37%	0.37	S	S	.	.	H	α-helix	trans	-58.9	-47.5	178.3	-71.1	177.8	-160.7	-164.1	10.8	111.4	D353 R354 M359 Y360 H361 M449	D353-R357 VanDerWaalsContact O-CG 3.31Å; D353-R357 WeakPolarHBondContact O-CG 3.38Å; D353-R357 PolarHBondContact O-N 3.3Å; D353-R357 IonicContact OD2-CZ 3.54Å; D353-R357 IonicContact OD2-NE 3.16Å; D353-R357 PolarHBondContact OD2-NE 3.35Å; D353-R357 IonicContact OD2-NH2 3.6Å; D353-R357 PolarHBondContact OD2-NH2 2.93Å; R354-R357 PolarHBondContact O-N 2.81Å; R357-M359 PolarHBondContact O-N 3.44Å; R357-Y360 WeakPolarHBondContact O-CB 3.24Å; R357-Y360 PolarHBondContact O-N 2.79Å; R357-Y360 VanDerWaalsContact O-N 3.17Å; R357-H361 PolarHBondContact O-CD2 3.48Å; R357-H361 PolarHBondContact O-N 3.15Å; R357-M449 HydrophobicContact CG-CE 3.99Å
358	H	86.1	Confident	81.4	Confident	76 Å²	76	81.5 Å²	81.5	35%	0.352	41%	0.405	S	S	.	.	H	α-helix	trans	-59.2	-47.4	179.8	-174.7	-114.1	0	0	0	111.8	D67 R354 Y360 H361 C362	D67-H358 WeakPolarHBondContact OD2-CB 3.32Å; D67-H358 IonicContact OD2-CD2 3.72Å; D67-H358 IonicContact OD2-CE1 2.69Å; D67-H358 IonicContact OD2-CG 3.86Å; D67-H358 VanDerWaalsContact OD2-CG 3.24Å; D67-H358 IonicContact OD2-ND1 2.65Å; D67-H358 PolarHBondContact OD2-ND1 2.8Å; D67-H358 VanDerWaalsContact OD2-ND1 3.11Å; R354-H358 PolarHBondContact O-N 2.99Å; H358-Y360 VanDerWaalsContact C-N 3.29Å; H358-Y360 PolarHBondContact O-N 2.76Å; H358-H361 PolarHBondContact O-N 3.34Å; H358-C362 PolarHBondContact O-N 3.09Å; H358-C362 PolarHBondContact O-SG 2.69Å; H358-C362 VanDerWaalsContact O-SG 3.33Å
359	M	83.8	Confident	79	Confident	80 Å²	80	85.2 Å²	85.2	39%	0.394	43%	0.432	S	S	.	.	H	α-helix	trans	-58.3	-38.4	175.8	-70.5	-69.7	-76.5	0	0	112.9	L119 A355 R356 R357 T363	L119-M359 HydrophobicContact CD2-CG 4.42Å; L119-M359 HydrophobicContact CD2-SD 3.73Å; A355-M359 WeakPolarHBondContact O-CG 3.38Å; A355-M359 PolarHBondContact O-N 2.85Å; R356-M359 PolarHBondContact O-N 3.33Å; R357-M359 PolarHBondContact O-N 3.44Å; M359-T363 WeakPolarHBondContact O-CB 3.1Å; M359-T363 PolarHBondContact O-N 3.29Å; M359-T363 VanDerWaalsContact O-N 3.16Å; M359-T363 PolarHBondContact O-OG1 2.82Å
360	Y	84.4	Confident	76.3	Confident	149 Å²	149	88.8 Å²	88.8	58%	0.584	45%	0.45	S	S	*	.	H	α-helix	trans	-64.4	-48.7	175.9	-175.4	-99.8	0	0	0	111.9	R356 R357 H358 C362 T363 S364	R356-Y360 PolarHBondContact O-N 3.32Å; R356-Y360 VanDerWaalsContact O-N 3.1Å; R357-Y360 WeakPolarHBondContact O-CB 3.24Å; R357-Y360 PolarHBondContact O-N 2.79Å; R357-Y360 VanDerWaalsContact O-N 3.17Å; H358-Y360 VanDerWaalsContact C-N 3.29Å; H358-Y360 PolarHBondContact O-N 2.76Å; Y360-C362 PolarHBondContact O-N 3.09Å; Y360-T363 WeakPolarHBondContact O-CB 3.34Å; Y360-T363 PolarHBondContact O-N 3.47Å; Y360-T363 VanDerWaalsContact O-N 3.13Å; Y360-S364 PolarHBondContact O-N 2.85Å; Y360-S364 PolarHBondContact O-OG 3.17Å
361	H	84.1	Confident	73.7	Confident	94 Å²	94	90.5 Å²	90.5	44%	0.435	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-38.2	179.1	-67.3	-62.7	0	0	0	113.3	R357 H358 T363 S364 N365	R357-H361 PolarHBondContact O-CD2 3.48Å; R357-H361 PolarHBondContact O-N 3.15Å; H358-H361 PolarHBondContact O-N 3.34Å; H361-T363 VanDerWaalsContact C-N 3.26Å; H361-T363 PolarHBondContact O-N 2.81Å; H361-S364 WeakPolarHBondContact CA-OG 3.22Å; H361-S364 PolarHBondContact O-OG 3.17Å; H361-S364 VanDerWaalsContact O-OG 3.09Å; H361-N365 WeakPolarHBondContact O-CB 3.3Å; H361-N365 PolarHBondContact O-N 3.45Å; H361-N365 VanDerWaalsContact O-N 3.12Å; H361-N365 PolarHBondContact O-OD1 3.12Å
362	C	81.6	Confident	70.8	Confident	61 Å²	61	96.5 Å²	96.5	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-36.7	172.8	-66.3	0	0	0	0	111.9	H358 Y360 T366	H358-C362 PolarHBondContact O-N 3.09Å; H358-C362 PolarHBondContact O-SG 2.69Å; H358-C362 VanDerWaalsContact O-SG 3.33Å; Y360-C362 PolarHBondContact O-N 3.09Å; C362-T366 PolarHBondContact O-N 2.66Å; C362-T366 PolarHBondContact O-OG1 2.7Å
363	T	79.8	Confident	67.7	Low	92 Å²	92	100.4 Å²	100.4	56%	0.564	54%	0.537	S	S	*	.	H	α-helix	trans	-71.7	-48.1	178.7	-54	0	0	0	0	111.4	M359 Y360 H361 N365 T366	M359-T363 WeakPolarHBondContact O-CB 3.1Å; M359-T363 PolarHBondContact O-N 3.29Å; M359-T363 VanDerWaalsContact O-N 3.16Å; M359-T363 PolarHBondContact O-OG1 2.82Å; Y360-T363 WeakPolarHBondContact O-CB 3.34Å; Y360-T363 PolarHBondContact O-N 3.47Å; Y360-T363 VanDerWaalsContact O-N 3.13Å; H361-T363 VanDerWaalsContact C-N 3.26Å; H361-T363 PolarHBondContact O-N 2.81Å; T363-N365 VanDerWaalsContact C-N 3.33Å; T363-N365 PolarHBondContact O-N 2.94Å; T363-T366 PolarHBondContact O-N 3.25Å
364	S	75.1	Confident	65	Low	45 Å²	45	107 Å²	107	32%	0.315	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-38	-179.4	61.1	0	0	0	0	113	Y360 H361 T366 T367	Y360-S364 PolarHBondContact O-N 2.85Å; Y360-S364 PolarHBondContact O-OG 3.17Å; H361-S364 WeakPolarHBondContact CA-OG 3.22Å; H361-S364 PolarHBondContact O-OG 3.17Å; H361-S364 VanDerWaalsContact O-OG 3.09Å; S364-T366 VanDerWaalsContact C-N 3.25Å; S364-T366 PolarHBondContact O-N 2.88Å; S364-T367 PolarHBondContact O-N 2.87Å; S364-T367 PolarHBondContact O-OG1 2.89Å
365	N	63.9	Low	62.3	Low	122 Å²	122	106 Å²	106	65%	0.652	58%	0.58	S	S	*	*	H	α-helix	trans	-77.6	-14.1	-177.5	-64.7	8.1	0	0	0	112.6	H361 T363	H361-N365 WeakPolarHBondContact O-CB 3.3Å; H361-N365 PolarHBondContact O-N 3.45Å; H361-N365 VanDerWaalsContact O-N 3.12Å; H361-N365 PolarHBondContact O-OD1 3.12Å; T363-N365 VanDerWaalsContact C-N 3.33Å; T363-N365 PolarHBondContact O-N 2.94Å
366	T	62.4	Low	59.3	Low	116 Å²	116	117.2 Å²	117.2	71%	0.712	62%	0.622	S	S	*	*	H	α-helix	trans	-79	-29.1	171.9	-57.6	0	0	0	0	111.4	C362 T363 S364 N368	C362-T366 PolarHBondContact O-N 2.66Å; C362-T366 PolarHBondContact O-OG1 2.7Å; T363-T366 PolarHBondContact O-N 3.25Å; S364-T366 VanDerWaalsContact C-N 3.25Å; S364-T366 PolarHBondContact O-N 2.88Å; T366-N368 VanDerWaalsContact C-N 3.26Å; T366-N368 PolarHBondContact O-N 2.9Å
367	T	49.4	Very low	56.5	Low	106 Å²	106	116 Å²	116	65%	0.65	64%	0.642	S	S	*	*			trans	-81.4	61.7	177.5	49.2	0	0	0	0	113.2	S364	S364-T367 PolarHBondContact O-N 2.87Å; S364-T367 PolarHBondContact O-OG1 2.89Å
368	N	43	Very low	53.5	Low	136 Å²	136	118 Å²	118	73%	0.727	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-61.3	131.8	158.8	-87.4	-52	0	0	0	109	T366 I370	T366-N368 VanDerWaalsContact C-N 3.26Å; T366-N368 PolarHBondContact O-N 2.9Å; N368-I370 PolarHBondContact O-N 3.24Å
369	P	42.9	Very low	50.8	Low	113 Å²	113	120.3 Å²	120.3	73%	0.734	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-64.3	134.4	-175.4	25.3	-33.6	0	0	0	111.1	P371	P369-P371 WeakPolarHBondContact O-CD 3.4Å
370	I	36.6	Very low	48.1	Very low	159 Å²	159	123.4 Å²	123.4	82%	0.815	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-57.5	120.6	176.4	-60.1	168.7	0	0	0	108.3	N368 T372	N368-I370 PolarHBondContact O-N 3.24Å; I370-T372 PolarHBondContact O-N 2.9Å; I370-T372 VanDerWaalsContact O-N 3.16Å
371	P	37.9	Very low	45.1	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-58.5	121.9	177.7	-25.8	35.5	0	0	0	110.6	P369 C373	P369-P371 WeakPolarHBondContact O-CD 3.4Å; P371-C373 PolarHBondContact O-N 3.04Å; P371-C373 VanDerWaalsContact O-N 3.17Å
372	T	32	Very low	42.4	Very low	128 Å²	128	128 Å²	128	79%	0.785	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-61	118.1	179.1	43.1	0	0	0	0	109.8	I370 E374	I370-T372 PolarHBondContact O-N 2.9Å; I370-T372 VanDerWaalsContact O-N 3.16Å; T372-E374 PolarHBondContact O-N 2.97Å
373	C	29.1	Very low	39.8	Very low	125 Å²	125	135.9 Å²	135.9	85%	0.845	74%	0.741	S	S	*	*			trans	-73.3	90.9	-168.3	179.6	0	0	0	0	112.5	P371 S375	P371-C373 PolarHBondContact O-N 3.04Å; P371-C373 VanDerWaalsContact O-N 3.17Å; C373-S375 PolarHBondContact O-N 3.5Å
374	E	33.2	Very low	37.2	Very low	181 Å²	181	137.3 Å²	137.3	85%	0.846	76%	0.755	S	S	*	*			trans	-72.1	97.8	171.5	-65.8	-158.5	145.1	0	0	112.1	T372 R376	T372-E374 PolarHBondContact O-N 2.97Å; E374-R376 PolarHBondContact O-N 2.8Å
375	S	33.9	Very low	35.1	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	78%	0.781	S	S	*	*			trans	23.6	84.2	147.9	-63.5	0	0	0	0	119.6	C373 G377	C373-S375 PolarHBondContact O-N 3.5Å; S375-G377 PolarHBondContact O-N 3.37Å
376	R	29.6	Very low	33.6	Very low	237 Å²	237	142.3 Å²	142.3	89%	0.894	79%	0.786	S	S	*	*			trans	26.8	86.1	137	-70.4	178.6	166.6	167	-3.7	117.5	E374	E374-R376 PolarHBondContact O-N 2.8Å
377	G	30	Very low	31.9	Very low	78 Å²	78	140.1 Å²	140.1	80%	0.804	79%	0.786	S	S	*	*			trans	-93.3	120.5	154.4	0	0	0	0	0	111.6	S375	S375-G377 PolarHBondContact O-N 3.37Å
378	L	24.8	Very low	30.9	Very low	151 Å²	151	140.4 Å²	140.4	79%	0.791	79%	0.792	S	S	*	*			trans	-82.5	134.8	171.4	-76.6	75.1	0	0	0	110.2
379	T	28.3	Very low	30.1	Very low	124 Å²	124	140 Å²	140	76%	0.761	79%	0.794	S	S	*	*				178.4	131.3	118.3	27.5	0	0	0	0	114.9
380	Q	27.1	Very low	29.3	Very low	145 Å²	145	141.7 Å²	141.7	68%	0.678	80%	0.798	S	S	*	*			trans	52.6	125.8	136.9	-64	-168.5	37.7	0	0	124.3
381	R	23.1	Very low	28.9	Very low	206 Å²	206	139.4 Å²	139.4	78%	0.777	80%	0.796	S	S	*	*			trans	83.7	109.8	130.1	-77.2	175.5	169.6	-179	-2.9	121.8
382	T	25.7	Very low	28.4	Very low	134 Å²	134	139.7 Å²	139.7	82%	0.822	80%	0.795	S	S	*	*			trans	69.8	149.3	144.3	71	0	0	0	0	117
383	R	28.3	Very low	28.4	Very low	227 Å²	227	140.9 Å²	140.9	86%	0.857	80%	0.795	S	S	*	*			cis	-130.8	161.4	13.2	-73	174.7	161.2	150.6	-7.2	112.1
384	S	24.3	Very low	28.2	Very low	121 Å²	121	142.1 Å²	142.1	85%	0.846	79%	0.788	S	S	*	*			trans	-76.1	128.6	168.3	-42.2	0	0	0	0	111.4
385	L	32.4	Very low	28.1	Very low	163 Å²	163	138.3 Å²	138.3	85%	0.853	79%	0.788	S	S	*	*			trans	-135.7	162.5	159.2	-109.8	100.6	0	0	0	110.7
386	S	31.2	Very low	27.8	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	78%	0.78	S	S	*	*			trans	-70.4	127.8	-166.2	49.2	0	0	0	0	115.9
387	G	26.7	Very low	27.7	Very low	69 Å²	69	134.2 Å²	134.2	71%	0.711	78%	0.775	S	S	*	*				64.9	119.8	107.4	0	0	0	0	0	121
388	S	27.9	Very low	27.8	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	78%	0.779	S	S	*	*			trans	76.4	94.2	142.5	-68	0	0	0	0	121.5
389	V	26.3	Very low	27.9	Very low	127 Å²	127	136 Å²	136	77%	0.77	77%	0.772	S	S	*	*			trans	57.4	151.3	131.6	-62.4	0	0	0	0	123
390	N	26.4	Very low	27.8	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	78%	0.779	S	S	*	*			trans	73.1	62.2	164.9	-62.7	-0.7	0	0	0	118.1
391	S	29.1	Very low	27.7	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	78%	0.779	S	S	*	*			trans	-84.6	107.2	155.2	55.6	0	0	0	0	110.9	I393	S391-I393 PolarHBondContact O-N 3.04Å
392	V	27.4	Very low	28.1	Very low	124 Å²	124	130.8 Å²	130.8	75%	0.752	78%	0.783	S	S	*	*			trans	-69.7	122.4	167.9	176.6	0	0	0	0	108.5	H394	V392-H394 PolarHBondContact O-N 3.16Å
393	I	30.9	Very low	28.4	Very low	153 Å²	153	133 Å²	133	79%	0.785	79%	0.789	S	S	*	*			trans	-81.9	111	175.3	-66.6	165.4	0	0	0	108.5	S391	S391-I393 PolarHBondContact O-N 3.04Å
394	H	25.9	Very low	28.2	Very low	150 Å²	150	131.3 Å²	131.3	69%	0.694	79%	0.79	S	S	*	*			trans	-71.7	129.9	164.1	-84.7	-110.6	0	0	0	109.6	V392	V392-H394 PolarHBondContact O-N 3.16Å
395	A	30.4	Very low	28.3	Very low	102 Å²	102	130 Å²	130	84%	0.843	79%	0.787	S	S	*	*			trans	-99.9	83.9	175.8	0	0	0	0	0	109.5
396	D	27.5	Very low	28.3	Very low	116 Å²	116	130.1 Å²	130.1	62%	0.62	79%	0.786	S	S	*	*			trans	-107.9	151.5	175.5	-72.7	-55.7	0	0	0	111.4
397	N	26.9	Very low	28.3	Very low	145 Å²	145	133 Å²	133	78%	0.775	79%	0.787	S	S	*	*			trans	74.9	83.3	169.5	-44.1	-65.3	0	0	0	117.6
398	I	32.8	Very low	28.2	Very low	173 Å²	173	137.1 Å²	137.1	89%	0.887	79%	0.793	S	S	*	*			trans	-105.7	117.1	136.4	-66.1	179.4	0	0	0	106.5	T400	I398-T400 PolarHBondContact O-N 2.98Å
399	S	27.5	Very low	28.4	Very low	94 Å²	94	140 Å²	140	66%	0.657	80%	0.8	S	S	*	*			trans	-79.6	117.4	-165.9	-54.8	0	0	0	0	113.3	S401	S399-S401 PolarHBondContact O-N 2.68Å
400	T	25.2	Very low	28.4	Very low	148 Å²	148	137.2 Å²	137.2	91%	0.908	80%	0.797	S	S	*	*			trans	-79.9	93.5	165.1	52.6	0	0	0	0	109.9	I398	I398-T400 PolarHBondContact O-N 2.98Å
401	S	25.8	Very low	28.4	Very low	96 Å²	96	137.1 Å²	137.1	67%	0.671	80%	0.796	S	S	*	*			trans	-141.6	70.4	-177.4	63.6	0	0	0	0	113.2	S399	S399-S401 PolarHBondContact O-N 2.68Å
402	S	31.2	Very low	28.6	Very low	122 Å²	122	141.8 Å²	141.8	85%	0.853	80%	0.803	S	S	*	*			trans	-171.5	88.2	159.3	-100.5	0	0	0	0	110.6
403	L	31.4	Very low	28.6	Very low	181 Å²	181	147.5 Å²	147.5	95%	0.948	81%	0.811	S	S	*	*			trans	-173	58.9	156.3	-107.1	168.9	0	0	0	109.5
404	E	24.9	Very low	28.6	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	81%	0.812	S	S	*	*			trans	-89.1	156.8	167.2	-72.4	-164.7	137.7	0	0	111.1
405	A	27.4	Very low	28.7	Very low	94 Å²	94	145.8 Å²	145.8	78%	0.777	82%	0.818	S	S	*	*			trans	65.6	112	173.6	0	0	0	0	0	117.6
406	I	32.2	Very low	28.6	Very low	164 Å²	164	148.6 Å²	148.6	84%	0.841	81%	0.813	S	S	*	*				-145.8	120.4	113.1	-98.3	151.4	0	0	0	109.6
407	H	31.3	Very low	28.7	Very low	170 Å²	170	149.3 Å²	149.3	79%	0.787	82%	0.817	S	S	*	*			trans	33.8	120.7	158	-75	-92.2	0	0	0	123
408	N	23.8	Very low	29.1	Very low	157 Å²	157	147.4 Å²	147.4	84%	0.84	82%	0.815	S	S	*	*			trans	-58.3	145	145.6	-61.7	-64.9	0	0	0	111.6
409	N	31.9	Very low	29.3	Very low	171 Å²	171	144.6 Å²	144.6	91%	0.914	81%	0.811	S	S	*	*			trans	-149.1	145.9	139.5	-105.3	-27.6	0	0	0	109.1
410	G	26.8	Very low	29.9	Very low	69 Å²	69	145.3 Å²	145.3	71%	0.711	82%	0.816	S	S	*	*			trans	-100.9	178.2	-166.8	0	0	0	0	0	115.6
411	D	26.8	Very low	30.6	Very low	148 Å²	148	146.3 Å²	146.3	79%	0.791	82%	0.815	S	S	*	*			trans	46.1	116.7	163.4	-69.6	-40.3	0	0	0	119.3
412	F	32.6	Very low	31.2	Very low	210 Å²	210	146.3 Å²	146.3	92%	0.921	82%	0.821	S	S	*	*				-160.5	147.5	98.2	-117.5	-84.6	0	0	0	111.9
413	R	26.9	Very low	31.9	Very low	244 Å²	244	149.3 Å²	149.3	92%	0.921	82%	0.821	S	S	*	*			trans	-93.6	103.7	178.5	-64.6	166.9	78.2	-177.2	6.6	109.9
414	G	31.9	Very low	32.7	Very low	77 Å²	77	146.3 Å²	146.3	79%	0.794	82%	0.816	S	S	*	*			trans	-119.9	122.3	-178	0	0	0	0	0	113.3
415	K	28.5	Very low	34.4	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	81%	0.812	S	S	*	*			trans	-68.2	149.5	178.1	-73.7	-179.5	175.3	-178.6	0	113.2
416	H	26.9	Very low	36.6	Very low	161 Å²	161	142.9 Å²	142.9	75%	0.745	80%	0.797	S	S	*	*			trans	50.2	141.4	135.8	-72.2	-97.9	0	0	0	119.7
417	D	31.1	Very low	38.9	Very low	131 Å²	131	137.3 Å²	137.3	70%	0.701	77%	0.773	S	S	*	*			cis	-151.8	158.5	21.5	-101.3	-43.5	0	0	0	113.7
418	S	33.9	Very low	41.3	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	77%	0.767	S	S	*	*			trans	19.2	114.2	144.9	-51.7	0	0	0	0	121.5
419	S	38.5	Very low	44.1	Very low	115 Å²	115	133 Å²	133	80%	0.804	76%	0.756	S	S	*	*				-178.6	152.3	113.9	41.1	0	0	0	0	114.1
420	S	39.6	Very low	46.4	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	73%	0.734	S	S	*	*			trans	20.6	137.4	160.7	50.8	0	0	0	0	122.3	A422	S420-A422 PolarHBondContact O-N 3.04Å
421	L	38.7	Very low	49.1	Very low	168 Å²	168	129.8 Å²	129.8	88%	0.88	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-49.8	126.1	166.8	-69.6	69.8	0	0	0	111.6
422	A	39.5	Very low	51.5	Low	97 Å²	97	128.7 Å²	128.7	80%	0.802	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-91.4	134.5	155.7	0	0	0	0	0	108.5	S420	S420-A422 PolarHBondContact O-N 3.04Å
423	E	45.6	Very low	54.1	Low	185 Å²	185	125.2 Å²	125.2	86%	0.864	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-66.4	139.5	171.4	-66.1	176	116.4	0	0	109.4	V425	E423-V425 PolarHBondContact O-N 3.01Å
424	S	48.1	Very low	56.6	Low	118 Å²	118	118.3 Å²	118.3	83%	0.825	68%	0.678	S	S	*	*			trans	-72.5	88.9	-179.5	55.6	0	0	0	0	110.4	V426	S424-V426 PolarHBondContact O-N 3Å
425	V	59.8	Low	59	Low	135 Å²	135	118.3 Å²	118.3	82%	0.818	66%	0.663	S	S	*	*			trans	-66	114	168.8	-177.8	0	0	0	0	107.9	E423 S427	E423-V425 PolarHBondContact O-N 3.01Å; V425-S427 PolarHBondContact O-N 3.22Å
426	V	75.2	Confident	61.5	Low	77 Å²	77	114 Å²	114	47%	0.467	65%	0.646	S	S	.	*			trans	-50.3	131.1	172.1	179	0	0	0	0	108.8	S424 E430 V431	S424-V426 PolarHBondContact O-N 3Å; V426-E430 HydrophobicContact CG1-CB 4Å; V426-E430 HydrophobicContact CG1-CG 3.9Å; V426-E430 WeakPolarHBondContact CG1-OE2 3.27Å; V426-V431 HydrophobicContact CG1-CG2 3.75Å
427	S	80.4	Confident	64.1	Low	47 Å²	47	110.7 Å²	110.7	33%	0.329	63%	0.63	S	S	.	*			trans	-74	158.3	-172.9	102.7	0	0	0	0	111.6	V425 E429 E430 V431	V425-S427 PolarHBondContact O-N 3.22Å; S427-E429 WeakPolarHBondContact CB-OE2 3.33Å; S427-E429 PolarHBondContact O-N 3.44Å; S427-E429 PolarHBondContact OG-N 2.78Å; S427-E429 PolarHBondContact OG-OE2 3.24Å; S427-E430 PolarHBondContact O-N 2.97Å; S427-E430 PolarHBondContact OG-N 3.49Å; S427-E430 VanDerWaalsContact OG-N 3.16Å; S427-V431 WeakPolarHBondContact O-CG2 3.49Å; S427-V431 PolarHBondContact O-N 2.97Å
428	V	80.4	Confident	66.4	Low	109 Å²	109	107.9 Å²	107.9	66%	0.661	62%	0.618	S	S	*	*	H	α-helix	trans	-64.8	-33.3	178.9	178.7	0	0	0	0	110.4	Q432	V428-Q432 VanDerWaalsContact O-CB 3.29Å; V428-Q432 WeakPolarHBondContact O-CB 3.48Å; V428-Q432 PolarHBondContact O-N 2.78Å
429	E	82.2	Confident	68.7	Low	129 Å²	129	107.7 Å²	107.7	60%	0.603	61%	0.609	S	S	*	*	H	α-helix	trans	-66	-44.2	175.5	-53.8	72.9	-161.3	0	0	111.4	S427 Q432 E433	S427-E429 WeakPolarHBondContact CB-OE2 3.33Å; S427-E429 PolarHBondContact O-N 3.44Å; S427-E429 PolarHBondContact OG-N 2.78Å; S427-E429 PolarHBondContact OG-OE2 3.24Å; E429-Q432 PolarHBondContact O-N 2.97Å; E429-E433 WeakPolarHBondContact O-CB 2.98Å; E429-E433 PolarHBondContact O-N 2.63Å
430	E	81.7	Confident	70.9	Confident	98 Å²	98	108.4 Å²	108.4	46%	0.458	59%	0.593	S	S	.	*	H	α-helix	trans	-64.1	-41.7	175.9	-173	179.3	-176.9	0	0	111.6	V426 S427 Q432 E433 I434	V426-E430 HydrophobicContact CG1-CB 4Å; V426-E430 HydrophobicContact CG1-CG 3.9Å; V426-E430 WeakPolarHBondContact CG1-OE2 3.27Å; S427-E430 PolarHBondContact O-N 2.97Å; S427-E430 PolarHBondContact OG-N 3.49Å; S427-E430 VanDerWaalsContact OG-N 3.16Å; E430-Q432 VanDerWaalsContact C-N 3.35Å; E430-E433 PolarHBondContact O-N 3.37Å; E430-I434 HydrophobicContact CG-CD1 4.34Å; E430-I434 WeakPolarHBondContact O-CD1 3.44Å; E430-I434 VanDerWaalsContact O-CG1 3.29Å; E430-I434 WeakPolarHBondContact O-CG1 3.47Å; E430-I434 PolarHBondContact O-N 3.45Å
431	V	82	Confident	73	Confident	74 Å²	74	109.4 Å²	109.4	45%	0.448	59%	0.586	S	S	.	*	H	α-helix	trans	-62.8	-41.5	171.7	175.8	0	0	0	0	111.3	V426 S427 I434 V435	V426-V431 HydrophobicContact CG1-CG2 3.75Å; S427-V431 WeakPolarHBondContact O-CG2 3.49Å; S427-V431 PolarHBondContact O-N 2.97Å; V431-I434 PolarHBondContact O-N 2.8Å; V431-V435 HydrophobicContact CG1-CG2 4.49Å; V431-V435 VanDerWaalsContact O-CG2 3.31Å; V431-V435 WeakPolarHBondContact O-CG2 3.29Å; V431-V435 PolarHBondContact O-N 3.18Å
432	Q	79	Confident	75.3	Confident	124 Å²	124	104.5 Å²	104.5	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-66.8	-37.7	179.1	-176.7	173.4	-20.8	0	0	112.1	V428 E429 E430 V435 Q436	V428-Q432 VanDerWaalsContact O-CB 3.29Å; V428-Q432 WeakPolarHBondContact O-CB 3.48Å; V428-Q432 PolarHBondContact O-N 2.78Å; E429-Q432 PolarHBondContact O-N 2.97Å; E430-Q432 VanDerWaalsContact C-N 3.35Å; Q432-V435 PolarHBondContact O-N 3.47Å; Q432-Q436 WeakPolarHBondContact O-CB 3.42Å; Q432-Q436 PolarHBondContact O-N 3.08Å
433	E	85.8	Confident	77.5	Confident	138 Å²	138	100.6 Å²	100.6	65%	0.645	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-48.4	174.2	-176	168.1	-159.4	0	0	111.3	E429 E430 V435 Q436 E437	E429-E433 WeakPolarHBondContact O-CB 2.98Å; E429-E433 PolarHBondContact O-N 2.63Å; E430-E433 PolarHBondContact O-N 3.37Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 2.92Å; E433-Q436 PolarHBondContact O-N 2.78Å; E433-Q436 VanDerWaalsContact O-N 3.15Å; E433-E437 PolarHBondContact O-N 3.07Å
434	I	80.3	Confident	79.6	Confident	98 Å²	98	94.4 Å²	94.4	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-43.9	176.2	-68.1	164.3	0	0	0	111.3	E430 V431 T438	E430-I434 HydrophobicContact CG-CD1 4.34Å; E430-I434 WeakPolarHBondContact O-CD1 3.44Å; E430-I434 VanDerWaalsContact O-CG1 3.29Å; E430-I434 WeakPolarHBondContact O-CG1 3.47Å; E430-I434 PolarHBondContact O-N 3.45Å; V431-I434 PolarHBondContact O-N 2.8Å; I434-T438 WeakPolarHBondContact O-CB 3.27Å; I434-T438 PolarHBondContact O-N 3.02Å; I434-T438 PolarHBondContact O-OG1 3.01Å
435	V	82.8	Confident	81.8	Confident	78 Å²	78	88.8 Å²	88.8	47%	0.473	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-42.7	176.5	168.6	0	0	0	0	111.2	V431 Q432 E433 T438 L439	V431-V435 HydrophobicContact CG1-CG2 4.49Å; V431-V435 VanDerWaalsContact O-CG2 3.31Å; V431-V435 WeakPolarHBondContact O-CG2 3.29Å; V431-V435 PolarHBondContact O-N 3.18Å; Q432-V435 PolarHBondContact O-N 3.47Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 2.92Å; V435-T438 PolarHBondContact O-N 2.87Å; V435-L439 HydrophobicContact CG1-CD1 4.05Å; V435-L439 VanDerWaalsContact O-CG 3.3Å; V435-L439 WeakPolarHBondContact O-CG 3.3Å; V435-L439 PolarHBondContact O-N 3.07Å
436	Q	80.1	Confident	83.1	Confident	99 Å²	99	88 Å²	88	46%	0.463	45%	0.446	S	S	.	.	H	α-helix	trans	-69.8	-35.5	-178.7	-169.6	162.8	14	0	0	112.6	Q432 E433 L439 R440	Q432-Q436 WeakPolarHBondContact O-CB 3.42Å; Q432-Q436 PolarHBondContact O-N 3.08Å; E433-Q436 PolarHBondContact O-N 2.78Å; E433-Q436 VanDerWaalsContact O-N 3.15Å; Q436-L439 PolarHBondContact O-N 3.45Å; Q436-R440 WeakPolarHBondContact O-CG 3.11Å; Q436-R440 PolarHBondContact O-N 3.29Å; Q436-R440 VanDerWaalsContact O-N 3.11Å
437	E	81.2	Confident	83.8	Confident	91 Å²	91	86.6 Å²	86.6	43%	0.425	44%	0.438	S	S	.	.	H	α-helix	trans	-70	-42.3	173.9	-162.6	61.2	-160.3	0	0	111.6	E433 L439 R440 E441	E433-E437 PolarHBondContact O-N 3.07Å; E437-L439 PolarHBondContact O-N 3.24Å; E437-R440 WeakPolarHBondContact O-CA 3.31Å; E437-R440 WeakPolarHBondContact O-CB 3.44Å; E437-R440 PolarHBondContact O-N 2.62Å; E437-R440 WeakPolarHBondContact OE2-CD 3.47Å; E437-R440 IonicContact OE2-CZ 3.66Å; E437-R440 IonicContact OE2-NE 3.91Å; E437-R440 IonicContact OE2-NH1 3.2Å; E437-R440 PolarHBondContact OE2-NH1 2.92Å; E437-E441 PolarHBondContact O-N 2.97Å
438	T	79.5	Confident	84.3	Confident	73 Å²	73	86.7 Å²	86.7	45%	0.448	44%	0.438	S	S	.	.	H	α-helix	trans	-56.8	-40.2	172.9	-55.2	0	0	0	0	111.5	I434 V435 E441 V442	I434-T438 WeakPolarHBondContact O-CB 3.27Å; I434-T438 PolarHBondContact O-N 3.02Å; I434-T438 PolarHBondContact O-OG1 3.01Å; V435-T438 PolarHBondContact O-N 2.87Å; T438-E441 PolarHBondContact O-N 2.8Å; T438-V442 VanDerWaalsContact O-CG2 3.29Å; T438-V442 WeakPolarHBondContact O-CG2 3.22Å; T438-V442 PolarHBondContact O-N 3.44Å
439	L	83.1	Confident	84.6	Confident	100 Å²	100	85.2 Å²	85.2	52%	0.524	43%	0.425	S	S	.	.	H	α-helix	trans	-66.8	-35.6	175.6	-73.5	168.6	0	0	0	112.7	V435 Q436 E437 A443	V435-L439 HydrophobicContact CG1-CD1 4.05Å; V435-L439 VanDerWaalsContact O-CG 3.3Å; V435-L439 WeakPolarHBondContact O-CG 3.3Å; V435-L439 PolarHBondContact O-N 3.07Å; Q436-L439 PolarHBondContact O-N 3.45Å; E437-L439 PolarHBondContact O-N 3.24Å; L439-A443 PolarHBondContact O-N 3.24Å
440	R	84.5	Confident	84.7	Confident	129 Å²	129	84.2 Å²	84.2	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-51.5	172.3	-71	174.4	-175.6	132.4	2.1	111	Q436 E437 V442 A443 L444	Q436-R440 WeakPolarHBondContact O-CG 3.11Å; Q436-R440 PolarHBondContact O-N 3.29Å; Q436-R440 VanDerWaalsContact O-N 3.11Å; E437-R440 WeakPolarHBondContact O-CA 3.31Å; E437-R440 WeakPolarHBondContact O-CB 3.44Å; E437-R440 PolarHBondContact O-N 2.62Å; E437-R440 WeakPolarHBondContact OE2-CD 3.47Å; E437-R440 IonicContact OE2-CZ 3.66Å; E437-R440 IonicContact OE2-NE 3.91Å; E437-R440 IonicContact OE2-NH1 3.2Å; E437-R440 PolarHBondContact OE2-NH1 2.92Å; R440-V442 PolarHBondContact O-N 3.32Å; R440-A443 WeakPolarHBondContact O-CB 3.42Å; R440-A443 PolarHBondContact O-N 2.85Å; R440-L444 WeakPolarHBondContact O-CG 3.47Å; R440-L444 PolarHBondContact O-N 2.95Å
441	E	83.9	Confident	85.1	Confident	131 Å²	131	83.5 Å²	83.5	61%	0.612	42%	0.42	S	S	*	.	H	α-helix	trans	-54.9	-41	178	-70.2	-163.2	151.1	0	0	112.1	E437 T438 A443 L444	E437-E441 PolarHBondContact O-N 2.97Å; T438-E441 PolarHBondContact O-N 2.8Å; E441-A443 VanDerWaalsContact C-N 3.31Å; E441-A443 PolarHBondContact O-N 3.13Å; E441-L444 PolarHBondContact O-N 2.81Å
442	V	85.4	Confident	85.5	Confident	64 Å²	64	82.8 Å²	82.8	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-33.4	178.7	169.2	0	0	0	0	112.2	T438 R440 R446	T438-V442 VanDerWaalsContact O-CG2 3.29Å; T438-V442 WeakPolarHBondContact O-CG2 3.22Å; T438-V442 PolarHBondContact O-N 3.44Å; R440-V442 PolarHBondContact O-N 3.32Å; V442-R446 PolarHBondContact O-NH2 3.04Å
443	A	87.4	Confident	86.2	Confident	15 Å²	15	77.3 Å²	77.3	12%	0.124	39%	0.392	C	S	.	.	H	α-helix	trans	-77.5	-15.2	-179.3	0	0	0	0	0	114.9	L439 R440 E441 I453 W493	L439-A443 PolarHBondContact O-N 3.24Å; R440-A443 WeakPolarHBondContact O-CB 3.42Å; R440-A443 PolarHBondContact O-N 2.85Å; E441-A443 VanDerWaalsContact C-N 3.31Å; E441-A443 PolarHBondContact O-N 3.13Å; A443-I453 WeakPolarHBondContact O-CG1 3.14Å; A443-I453 PolarHBondContact O-N 2.85Å; A443-W493 VanDerWaalsContact CB-NE1 3.35Å
444	L	89.6	Confident	86.6	Confident	55 Å²	55	72.4 Å²	72.4	29%	0.288	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-76.8	147.7	-175.9	-70.3	172.8	0	0	0	113.9	R440 E441 R446 D450 I453	R440-L444 WeakPolarHBondContact O-CG 3.47Å; R440-L444 PolarHBondContact O-N 2.95Å; E441-L444 PolarHBondContact O-N 2.81Å; L444-R446 VanDerWaalsContact O-CD 3.27Å; L444-R446 WeakPolarHBondContact O-CD 3.22Å; L444-R446 PolarHBondContact O-N 3.42Å; L444-R446 PolarHBondContact O-NE 3.4Å; L444-D450 WeakPolarHBondContact CD2-O 3.43Å; L444-I453 WeakPolarHBondContact O-CD1 3.27Å; L444-I453 WeakPolarHBondContact O-CG1 3.19Å
445	C	92.7	Very high	87.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.361	C	S	.	.			trans	-57.3	121.5	175.1	170.3	0	0	0	0	110.9	V447 C448 M449 Q451 C466	C445-V447 PolarHBondContact O-N 3.08Å; C445-C448 PolarHBondContact O-N 2.86Å; C445-C448 VanDerWaalsContact SG-SG 3.63Å; C445-M449 VanDerWaalsContact O-CA 3.29Å; C445-M449 WeakPolarHBondContact O-CA 3.49Å; C445-M449 PolarHBondContact O-N 2.78Å; C445-Q451 WeakPolarHBondContact CB-O 2.97Å; C445-Q451 PolarHBondContact N-O 2.7Å; C445-C466 HydrophobicContact CB-CB 3.94Å; C445-C466 PolarHBondContact SG-N 2.93Å; C445-C466 VanDerWaalsContact SG-SG 3.69Å
446	R	88.7	Confident	88	Confident	118 Å²	118	68 Å²	68	45%	0.445	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	15	-176.5	-49.9	-53.8	178.2	95.3	6.6	114.2	V442 L444 I464	V442-R446 PolarHBondContact O-NH2 3.04Å; L444-R446 VanDerWaalsContact O-CD 3.27Å; L444-R446 WeakPolarHBondContact O-CD 3.22Å; L444-R446 PolarHBondContact O-N 3.42Å; L444-R446 PolarHBondContact O-NE 3.4Å; R446-I464 HydrophobicContact CB-CB 4.4Å; R446-I464 HydrophobicContact CG-CB 4.3Å; R446-I464 PolarHBondContact N-O 2.72Å
447	V	89.6	Confident	88.9	Confident	48 Å²	48	63.3 Å²	63.3	29%	0.291	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-36	176.9	178.4	0	0	0	0	112.5	C445 C465 C469 P477	C445-V447 PolarHBondContact O-N 3.08Å; V447-C465 VanDerWaalsContact CG2-SG 3.55Å; V447-C469 HydrophobicContact CB-CB 3.8Å; V447-C469 HydrophobicContact CG1-CB 3.82Å; V447-P477 HydrophobicContact CG2-CG 4.34Å
448	C	90.1	Very high	89.5	Confident	50 Å²	50	63.3 Å²	63.3	34%	0.338	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-18.4	172.6	63.7	0	0	0	0	115.1	C445 D450 C469	C445-C448 PolarHBondContact O-N 2.86Å; C445-C448 VanDerWaalsContact SG-SG 3.63Å; C448-D450 HydrophobicContact CB-CB 4.4Å; C448-D450 PolarHBondContact O-N 3.21Å; C448-C469 VanDerWaalsContact CB-SG 3.56Å
449	M	87	Confident	90.2	Very high	77 Å²	77	63.4 Å²	63.4	38%	0.379	32%	0.322	S	S	.	.	S	Bend	trans	56.2	25.6	-177.5	-55.7	-178.4	-175.5	0	0	114.5	R357 C445	R357-M449 HydrophobicContact CG-CE 3.99Å; C445-M449 VanDerWaalsContact O-CA 3.29Å; C445-M449 WeakPolarHBondContact O-CA 3.49Å; C445-M449 PolarHBondContact O-N 2.78Å
450	D	84.4	Confident	90.9	Very high	109 Å²	109	59.6 Å²	59.6	58%	0.583	30%	0.304	S	S	*	.	S	Bend	trans	-131	-53	-170.5	163.1	77.8	0	0	0	111.4	L444 C448	L444-D450 WeakPolarHBondContact CD2-O 3.43Å; C448-D450 HydrophobicContact CB-CB 4.4Å; C448-D450 PolarHBondContact O-N 3.21Å
451	Q	89.3	Confident	91.3	Very high	82 Å²	82	55.7 Å²	55.7	38%	0.383	30%	0.304	S	S	.	.	S	Bend	trans	-89.7	149.3	176.5	-62.6	-56.9	-60.5	0	0	111.7	C445 C466	C445-Q451 WeakPolarHBondContact CB-O 2.97Å; C445-Q451 PolarHBondContact N-O 2.7Å; Q451-C466 HydrophobicContact CB-CB 3.5Å; Q451-C466 HydrophobicContact CG-CB 4.5Å
452	P	90.8	Very high	91.9	Very high	60 Å²	60	52.3 Å²	52.3	39%	0.39	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-66.4	154.1	176.1	27.4	-35.1	0	0	0	113	S454 C466	P452-S454 PolarHBondContact O-N 3.29Å; P452-S454 PolarHBondContact O-OG 3.19Å; P452-C466 WeakPolarHBondContact O-CA 3.34Å; P452-C466 VanDerWaalsContact O-CB 3.22Å; P452-C466 WeakPolarHBondContact O-CB 3.49Å
453	I	93.3	Very high	92.4	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.041	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-62.8	124.8	171.3	-62.1	165	0	0	0	109	A443 L444 L491	A443-I453 WeakPolarHBondContact O-CG1 3.14Å; A443-I453 PolarHBondContact O-N 2.85Å; L444-I453 WeakPolarHBondContact O-CD1 3.27Å; L444-I453 WeakPolarHBondContact O-CG1 3.19Å; I453-L491 HydrophobicContact CB-CD1 3.74Å; I453-L491 HydrophobicContact CG2-CD1 3.75Å
454	S	95	Very high	92.6	Very high	35 Å²	35	52.4 Å²	52.4	25%	0.245	29%	0.286	C	S	.	.			trans	-143.2	4.6	-176.8	47.4	0	0	0	0	113.8	P452 C465 C466 S467 P488 C489	P452-S454 PolarHBondContact O-N 3.29Å; P452-S454 PolarHBondContact O-OG 3.19Å; S454-C465 PolarHBondContact N-O 3.2Å; S454-C466 WeakPolarHBondContact OG-CA 3.4Å; S454-S467 PolarHBondContact OG-N 3.41Å; S454-P488 WeakPolarHBondContact O-CA 3.47Å; S454-C489 PolarHBondContact O-N 3.29Å
455	R	95.7	Very high	92.8	Very high	66 Å²	66	49.8 Å²	49.8	25%	0.249	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.5	176.2	-63.4	-66.6	171	134.3	2.9	113.3	C465 A470 R486 H487 C489	R455-C465 PolarHBondContact N-O 3.41Å; R455-A470 HydrophobicContact CB-CB 3.71Å; R455-A470 HydrophobicContact CG-CB 3.67Å; R455-R486 WeakPolarHBondContact CD-O 3.35Å; R455-R486 PolarHBondContact NH1-O 3.25Å; R455-H487 WeakPolarHBondContact CA-O 3.41Å; R455-H487 WeakPolarHBondContact CD-O 3.3Å; R455-C489 VanDerWaalsContact C-SG 3.53Å; R455-C489 PolarHBondContact N-SG 3.41Å
456	V	96.9	Very high	92.9	Very high	19 Å²	19	49.8 Å²	49.8	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140	165.9	60.6	0	0	0	0	110	F458 T463 H487 C489	V456-F458 HydrophobicContact CG1-CD2 4.31Å; V456-F458 HydrophobicContact CG1-CE2 3.62Å; V456-F458 HydrophobicContact CG1-CZ 4.3Å; V456-F458 HydrophobicContact CG2-CE2 4.41Å; V456-T463 HydrophobicContact CB-CG2 3.64Å; V456-T463 HydrophobicContact CG2-CG2 3.9Å; V456-H487 HydrophobicContact CG1-CB 3.82Å; V456-H487 WeakPolarHBondContact CG1-O 3.31Å; V456-H487 PolarHBondContact N-O 3.48Å; V456-H487 PolarHBondContact O-N 3.46Å; V456-H487 VanDerWaalsContact O-N 3.12Å; V456-C489 HydrophobicContact CB-CB 4.13Å; V456-C489 HydrophobicContact CG1-CB 4.23Å
457	F	97.7	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.9	176.7	-63.1	-42.8	0	0	0	111.9	C460 G461 H462 I464 C465 A470 V473 C476 I483 R486	F457-C460 CarbonylContact O-C 3.56Å; F457-C460 PolarHBondContact O-N 3.35Å; F457-C460 PolarHBondContact O-SG 3.42Å; F457-C460 VanDerWaalsContact O-SG 3.32Å; F457-G461 PolarHBondContact O-N 2.76Å; F457-H462 PolarHBondContact N-O 2.82Å; F457-I464 HydrophobicContact CE2-CG1 4.04Å; F457-C465 HydrophobicContact CE2-CB 4.33Å; F457-C465 HydrophobicContact CZ-CB 3.82Å; F457-A470 HydrophobicContact CE1-CB 3.73Å; F457-A470 HydrophobicContact CZ-CB 4.11Å; F457-V473 HydrophobicContact CE1-CG2 4.47Å; F457-V473 HydrophobicContact CE2-CG2 4.49Å; F457-V473 HydrophobicContact CZ-CG2 3.81Å; F457-C476 HydrophobicContact CD2-CB 4.35Å; F457-I483 HydrophobicContact CB-CD1 4.43Å; F457-I483 HydrophobicContact CB-CG1 4.08Å; F457-I483 HydrophobicContact CB-CG2 4.14Å; F457-I483 HydrophobicContact CD1-CB 4.43Å; F457-I483 HydrophobicContact CD1-CD1 3.6Å; F457-I483 HydrophobicContact CD1-CG1 3.99Å; F457-I483 HydrophobicContact CD1-CG2 3.57Å; F457-I483 HydrophobicContact CD2-CD1 3.94Å; F457-I483 HydrophobicContact CD2-CG1 4.43Å; F457-I483 HydrophobicContact CE1-CD1 3.64Å; F457-I483 HydrophobicContact CE1-CG2 4.3Å; F457-I483 HydrophobicContact CE2-CD1 3.98Å; F457-I483 HydrophobicContact CG-CD1 3.74Å; F457-I483 HydrophobicContact CG-CG1 3.93Å; F457-I483 HydrophobicContact CG-CG2 4.14Å; F457-I483 HydrophobicContact CZ-CD1 3.82Å; F457-R486 HydrophobicContact CD1-CG 4.49Å
458	F	95.5	Very high	93.5	Very high	90 Å²	90	48.1 Å²	48.1	40%	0.395	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	148.4	168.8	-70.2	-86.6	0	0	0	111.2	V456 E484 I485 H487	V456-F458 HydrophobicContact CG1-CD2 4.31Å; V456-F458 HydrophobicContact CG1-CE2 3.62Å; V456-F458 HydrophobicContact CG1-CZ 4.3Å; V456-F458 HydrophobicContact CG2-CE2 4.41Å; F458-E484 PolarHBondContact O-N 3.31Å; F458-I485 HydrophobicContact CB-CB 4.06Å; F458-I485 HydrophobicContact CD2-CB 4.27Å; F458-I485 PolarHBondContact N-O 2.87Å; F458-H487 HydrophobicContact CD2-CB 4.23Å; F458-H487 HydrophobicContact CE2-CB 3.8Å
459	P	94.6	Very high	93.9	Very high	76 Å²	76	46.1 Å²	46.1	49%	0.494	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.6	7	3.4	34.6	-36.5	0	0	0	114.4
460	C	96.4	Very high	94.3	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.135	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-9.9	-168.4	74.2	0	0	0	0	116.8	F457 H462 C476 C479 K481	F457-C460 CarbonylContact O-C 3.56Å; F457-C460 PolarHBondContact O-N 3.35Å; F457-C460 PolarHBondContact O-SG 3.42Å; F457-C460 VanDerWaalsContact O-SG 3.32Å; C460-H462 VanDerWaalsContact C-N 3.27Å; C460-H462 PolarHBondContact O-CE1 3.43Å; C460-H462 PolarHBondContact O-N 3.04Å; C460-H462 PolarHBondContact O-ND1 3.29Å; C460-H462 PolarHBondContact SG-ND1 2.83Å; C460-H462 VanDerWaalsContact SG-ND1 3.44Å; C460-C476 VanDerWaalsContact SG-SG 3.63Å; C460-C479 WeakPolarHBondContact CB-SG 3.39Å; C460-K481 HydrophobicContact CB-CB 4.28Å; C460-K481 HydrophobicContact CB-CD 3.89Å
461	G	94.1	Very high	94.8	Very high	47 Å²	47	41.8 Å²	41.8	49%	0.485	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-0.2	177.6	0	0	0	0	0	116.5	F457	F457-G461 PolarHBondContact O-N 2.76Å
462	H	96.3	Very high	95	Very high	60 Å²	60	47 Å²	47	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.3	-171.8	-69.4	74.5	0	0	0	112.6	F457 C460	F457-H462 PolarHBondContact N-O 2.82Å; C460-H462 VanDerWaalsContact C-N 3.27Å; C460-H462 PolarHBondContact O-CE1 3.43Å; C460-H462 PolarHBondContact O-N 3.04Å; C460-H462 PolarHBondContact O-ND1 3.29Å; C460-H462 PolarHBondContact SG-ND1 2.83Å; C460-H462 VanDerWaalsContact SG-ND1 3.44Å
463	T	94.9	Very high	95.2	Very high	53 Å²	53	45.7 Å²	45.7	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	92.6	174.6	48.1	0	0	0	0	110.6	V456 C489	V456-T463 HydrophobicContact CB-CG2 3.64Å; V456-T463 HydrophobicContact CG2-CG2 3.9Å; T463-C489 HydrophobicContact CG2-CB 4Å
464	I	93	Very high	95.2	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.138	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	-1.3	-177.8	59.7	149.5	0	0	0	115.1	R446 F457 P477 V478	R446-I464 HydrophobicContact CB-CB 4.4Å; R446-I464 HydrophobicContact CG-CB 4.3Å; R446-I464 PolarHBondContact N-O 2.72Å; F457-I464 HydrophobicContact CE2-CG1 4.04Å; I464-P477 HydrophobicContact CD1-CB 3.74Å; I464-P477 HydrophobicContact CD1-CG 3.84Å; I464-V478 HydrophobicContact CD1-CG2 3.65Å; I464-V478 HydrophobicContact CG1-CG2 4.22Å; I464-V478 HydrophobicContact CG2-CG2 3.95Å
465	C	93.1	Very high	95.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.5	-173.8	-69.4	0	0	0	0	113.1	V447 S454 R455 F457 C469 A470	V447-C465 VanDerWaalsContact CG2-SG 3.55Å; S454-C465 PolarHBondContact N-O 3.2Å; R455-C465 PolarHBondContact N-O 3.41Å; F457-C465 HydrophobicContact CE2-CB 4.33Å; F457-C465 HydrophobicContact CZ-CB 3.82Å; C465-C469 HydrophobicContact CB-CB 4.35Å; C465-A470 HydrophobicContact CB-CB 3.99Å
466	C	95.5	Very high	95.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.275	C	S	.	.			trans	-72.5	168.9	157.2	68.8	0	0	0	0	110.6	C445 Q451 P452 S454 I468 C469 A470	C445-C466 HydrophobicContact CB-CB 3.94Å; C445-C466 PolarHBondContact SG-N 2.93Å; C445-C466 VanDerWaalsContact SG-SG 3.69Å; Q451-C466 HydrophobicContact CB-CB 3.5Å; Q451-C466 HydrophobicContact CG-CB 4.5Å; P452-C466 WeakPolarHBondContact O-CA 3.34Å; P452-C466 VanDerWaalsContact O-CB 3.22Å; P452-C466 WeakPolarHBondContact O-CB 3.49Å; S454-C466 WeakPolarHBondContact OG-CA 3.4Å; C466-I468 PolarHBondContact O-N 3.27Å; C466-C469 PolarHBondContact O-N 2.87Å; C466-C469 PolarHBondContact SG-N 3.45Å; C466-C469 VanDerWaalsContact SG-N 3.41Å; C466-C469 VanDerWaalsContact SG-SG 3.67Å; C466-A470 WeakPolarHBondContact O-CB 3.38Å; C466-A470 PolarHBondContact O-N 3.02Å
467	S	95.1	Very high	94.9	Very high	42 Å²	42	53.6 Å²	53.6	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-47	-58	171.3	48.2	0	0	0	0	113.3	S454 C469 A470 D471	S454-S467 PolarHBondContact OG-N 3.41Å; S467-C469 VanDerWaalsContact C-N 3.28Å; S467-C469 PolarHBondContact O-N 2.77Å; S467-A470 WeakPolarHBondContact O-CB 3.38Å; S467-A470 PolarHBondContact O-N 2.92Å; S467-A470 VanDerWaalsContact O-N 3.08Å; S467-D471 PolarHBondContact O-N 3.12Å
468	I	95.7	Very high	94.6	Very high	89 Å²	89	57.5 Å²	57.5	46%	0.456	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-37	-173.2	-54.4	173.1	0	0	0	112.2	C466 R472	C466-I468 PolarHBondContact O-N 3.27Å; I468-R472 WeakPolarHBondContact O-CD 3.35Å; I468-R472 WeakPolarHBondContact O-CG 3.4Å
469	C	97.3	Very high	94.5	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-83.2	-32.2	177.5	-69.3	0	0	0	0	112.7	V447 C448 C465 C466 S467 D471 R472	V447-C469 HydrophobicContact CB-CB 3.8Å; V447-C469 HydrophobicContact CG1-CB 3.82Å; C448-C469 VanDerWaalsContact CB-SG 3.56Å; C465-C469 HydrophobicContact CB-CB 4.35Å; C466-C469 PolarHBondContact O-N 2.87Å; C466-C469 PolarHBondContact SG-N 3.45Å; C466-C469 VanDerWaalsContact SG-N 3.41Å; C466-C469 VanDerWaalsContact SG-SG 3.67Å; S467-C469 VanDerWaalsContact C-N 3.28Å; S467-C469 PolarHBondContact O-N 2.77Å; C469-D471 VanDerWaalsContact C-N 3.28Å; C469-D471 PolarHBondContact O-N 2.93Å; C469-R472 PolarHBondContact O-N 2.83Å
470	A	96	Very high	94.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-40.8	174.2	0	0	0	0	0	111.1	R455 F457 C465 C466 S467 R472 R486	R455-A470 HydrophobicContact CB-CB 3.71Å; R455-A470 HydrophobicContact CG-CB 3.67Å; F457-A470 HydrophobicContact CE1-CB 3.73Å; F457-A470 HydrophobicContact CZ-CB 4.11Å; C465-A470 HydrophobicContact CB-CB 3.99Å; C466-A470 WeakPolarHBondContact O-CB 3.38Å; C466-A470 PolarHBondContact O-N 3.02Å; S467-A470 WeakPolarHBondContact O-CB 3.38Å; S467-A470 PolarHBondContact O-N 2.92Å; S467-A470 VanDerWaalsContact O-N 3.08Å; A470-R472 PolarHBondContact O-N 3.35Å; A470-R486 WeakPolarHBondContact O-CD 3.47Å; A470-R486 PolarHBondContact O-NE 3.21Å; A470-R486 PolarHBondContact O-NH1 3.01Å
471	D	94.3	Very high	94.1	Very high	96 Å²	96	65.1 Å²	65.1	51%	0.513	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-2.9	-178.5	-60.7	-29.2	0	0	0	113.7	S467 C469 R486	S467-D471 PolarHBondContact O-N 3.12Å; C469-D471 VanDerWaalsContact C-N 3.28Å; C469-D471 PolarHBondContact O-N 2.93Å; D471-R486 WeakPolarHBondContact OD1-CD 3.29Å; D471-R486 IonicContact OD1-NE 3.14Å
472	R	94.9	Very high	94.2	Very high	192 Å²	192	66.4 Å²	66.4	73%	0.725	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	1.2	179.9	-67.3	175.7	-174.4	-171.6	2	114.8	I468 C469 A470	I468-R472 WeakPolarHBondContact O-CD 3.35Å; I468-R472 WeakPolarHBondContact O-CG 3.4Å; C469-R472 PolarHBondContact O-N 2.83Å; A470-R472 PolarHBondContact O-N 3.35Å
473	V	93.4	Very high	94.2	Very high	31 Å²	31	64.5 Å²	64.5	19%	0.188	33%	0.328	C	S	.	.			trans	-131.1	123	-175.5	-62.6	0	0	0	0	111.8	F457 P477 I483 R486	F457-V473 HydrophobicContact CE1-CG2 4.47Å; F457-V473 HydrophobicContact CE2-CG2 4.49Å; F457-V473 HydrophobicContact CZ-CG2 3.81Å; V473-P477 HydrophobicContact CG2-CG 4.45Å; V473-I483 HydrophobicContact CG2-CD1 4.04Å; V473-I483 WeakPolarHBondContact O-CD1 3.29Å; V473-R486 VanDerWaalsContact O-CZ 3.24Å; V473-R486 PolarHBondContact O-NH1 2.98Å; V473-R486 PolarHBondContact O-NH2 3.07Å
474	D	93.7	Very high	94.1	Very high	123 Å²	123	68.9 Å²	68.9	66%	0.658	35%	0.345	S	S	*	.	S	Bend	trans	-91.8	-13.7	-176.9	-60.3	-39.5	0	0	0	114	S482 I483 R486	D474-S482 WeakPolarHBondContact O-CA 3.48Å; D474-I483 PolarHBondContact O-N 3.46Å; D474-R486 IonicContact OD1-NH2 3.23Å; D474-R486 PolarHBondContact OD1-NH2 3.25Å; D474-R486 VanDerWaalsContact OD1-NH2 3.16Å
475	Q	96	Very high	94.3	Very high	110 Å²	110	72.2 Å²	72.2	51%	0.514	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-121.8	144.8	172.2	-69.1	179.1	-0	0	0	109.6	P477 R480 K481 I483	Q475-P477 VanDerWaalsContact O-CD 3.24Å; Q475-P477 WeakPolarHBondContact O-CD 3.42Å; Q475-R480 WeakPolarHBondContact CG-O 3.49Å; Q475-K481 WeakPolarHBondContact CA-O 3.39Å; Q475-I483 VanDerWaalsContact C-CD1 3.44Å
476	C	95.1	Very high	94.4	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.372	C	S	.	.			trans	-62	119.9	176.3	176.1	0	0	0	0	110.5	F457 C460 V478 C479 R480 K481 I483	F457-C476 HydrophobicContact CD2-CB 4.35Å; C460-C476 VanDerWaalsContact SG-SG 3.63Å; C476-V478 PolarHBondContact O-N 3.06Å; C476-C479 PolarHBondContact O-N 3.04Å; C476-R480 VanDerWaalsContact O-CA 3.25Å; C476-R480 WeakPolarHBondContact O-CA 3.49Å; C476-R480 PolarHBondContact O-N 2.94Å; C476-K481 PolarHBondContact N-O 2.93Å; C476-I483 HydrophobicContact CB-CG1 4.36Å
477	P	91.2	Very high	94.3	Very high	61 Å²	61	79.9 Å²	79.9	40%	0.396	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.7	180	-26.8	33.4	0	0	0	115.4	V447 I464 V473 Q475	V447-P477 HydrophobicContact CG2-CG 4.34Å; I464-P477 HydrophobicContact CD1-CB 3.74Å; I464-P477 HydrophobicContact CD1-CG 3.84Å; V473-P477 HydrophobicContact CG2-CG 4.45Å; Q475-P477 VanDerWaalsContact O-CD 3.24Å; Q475-P477 WeakPolarHBondContact O-CD 3.42Å
478	V	90.4	Very high	94.3	Very high	82 Å²	82	80.5 Å²	80.5	50%	0.497	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-59.4	176.1	-169	0	0	0	0	111.6	I464 C476	I464-V478 HydrophobicContact CD1-CG2 3.65Å; I464-V478 HydrophobicContact CG1-CG2 4.22Å; I464-V478 HydrophobicContact CG2-CG2 3.95Å; C476-V478 PolarHBondContact O-N 3.06Å
479	C	92.9	Very high	94	Very high	44 Å²	44	77.2 Å²	77.2	30%	0.297	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	3.5	-167.3	67.2	0	0	0	0	115.1	C460 C476 K481	C460-C479 WeakPolarHBondContact CB-SG 3.39Å; C476-C479 PolarHBondContact O-N 3.04Å; C479-K481 PolarHBondContact O-N 3.31Å
480	R	93.3	Very high	93.4	Very high	177 Å²	177	86 Å²	86	67%	0.668	42%	0.421	S	S	*	.			trans	56.5	1.4	179.7	-53.7	-172.8	-174.3	-163.2	2	117.1	Q475 C476	Q475-R480 WeakPolarHBondContact CG-O 3.49Å; C476-R480 VanDerWaalsContact O-CA 3.25Å; C476-R480 WeakPolarHBondContact O-CA 3.49Å; C476-R480 PolarHBondContact O-N 2.94Å
481	K	90.8	Very high	92.6	Very high	125 Å²	125	87.2 Å²	87.2	54%	0.543	43%	0.427	S	S	.	.			trans	-57.6	136.9	168.5	-65.9	179.2	178.2	178.6	0	109.6	C460 Q475 C476 C479	C460-K481 HydrophobicContact CB-CB 4.28Å; C460-K481 HydrophobicContact CB-CD 3.89Å; Q475-K481 WeakPolarHBondContact CA-O 3.39Å; C476-K481 PolarHBondContact N-O 2.93Å; C479-K481 PolarHBondContact O-N 3.31Å
482	S	95.2	Very high	91.3	Very high	75 Å²	75	88.5 Å²	88.5	52%	0.524	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-55.3	144.8	172.1	-51.7	0	0	0	0	110.9	D474	D474-S482 WeakPolarHBondContact O-CA 3.48Å
483	I	95.8	Very high	90.1	Very high	20 Å²	20	84.8 Å²	84.8	10%	0.103	43%	0.427	C	S	.	.			trans	-97.8	110.5	-178.4	-60.8	163.6	0	0	0	108.9	F457 V473 D474 Q475 C476 R486	F457-I483 HydrophobicContact CB-CD1 4.43Å; F457-I483 HydrophobicContact CB-CG1 4.08Å; F457-I483 HydrophobicContact CB-CG2 4.14Å; F457-I483 HydrophobicContact CD1-CB 4.43Å; F457-I483 HydrophobicContact CD1-CD1 3.6Å; F457-I483 HydrophobicContact CD1-CG1 3.99Å; F457-I483 HydrophobicContact CD1-CG2 3.57Å; F457-I483 HydrophobicContact CD2-CD1 3.94Å; F457-I483 HydrophobicContact CD2-CG1 4.43Å; F457-I483 HydrophobicContact CE1-CD1 3.64Å; F457-I483 HydrophobicContact CE1-CG2 4.3Å; F457-I483 HydrophobicContact CE2-CD1 3.98Å; F457-I483 HydrophobicContact CG-CD1 3.74Å; F457-I483 HydrophobicContact CG-CG1 3.93Å; F457-I483 HydrophobicContact CG-CG2 4.14Å; F457-I483 HydrophobicContact CZ-CD1 3.82Å; V473-I483 HydrophobicContact CG2-CD1 4.04Å; V473-I483 WeakPolarHBondContact O-CD1 3.29Å; D474-I483 PolarHBondContact O-N 3.46Å; Q475-I483 VanDerWaalsContact C-CD1 3.44Å; C476-I483 HydrophobicContact CB-CG1 4.36Å; I483-R486 HydrophobicContact CG2-CG 3.83Å
484	E	94.5	Very high	88.3	Confident	144 Å²	144	86.5 Å²	86.5	67%	0.673	44%	0.435	S	S	*	.	S	Bend	trans	-86.6	-36.9	-179.6	-67	171.1	-155.5	0	0	111.8	F458	F458-E484 PolarHBondContact O-N 3.31Å
485	I	95.4	Very high	86.2	Confident	97 Å²	97	86.8 Å²	86.8	50%	0.497	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.9	179.6	-46	176.8	0	0	0	110.3	F458	F458-I485 HydrophobicContact CB-CB 4.06Å; F458-I485 HydrophobicContact CD2-CB 4.27Å; F458-I485 PolarHBondContact N-O 2.87Å
486	R	96.2	Very high	83.7	Confident	54 Å²	54	90.3 Å²	90.3	20%	0.204	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	68.7	178.3	-55.1	176.7	-163.3	-66	-0.6	110.6	R455 F457 A470 D471 V473 D474 I483	R455-R486 WeakPolarHBondContact CD-O 3.35Å; R455-R486 PolarHBondContact NH1-O 3.25Å; F457-R486 HydrophobicContact CD1-CG 4.49Å; A470-R486 WeakPolarHBondContact O-CD 3.47Å; A470-R486 PolarHBondContact O-NE 3.21Å; A470-R486 PolarHBondContact O-NH1 3.01Å; D471-R486 WeakPolarHBondContact OD1-CD 3.29Å; D471-R486 IonicContact OD1-NE 3.14Å; V473-R486 VanDerWaalsContact O-CZ 3.24Å; V473-R486 PolarHBondContact O-NH1 2.98Å; V473-R486 PolarHBondContact O-NH2 3.07Å; D474-R486 IonicContact OD1-NH2 3.23Å; D474-R486 PolarHBondContact OD1-NH2 3.25Å; D474-R486 VanDerWaalsContact OD1-NH2 3.16Å; I483-R486 HydrophobicContact CG2-CG 3.83Å
487	H	94.3	Very high	81	Confident	108 Å²	108	95.5 Å²	95.5	50%	0.5	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	146.6	-173.6	-152.7	74.5	0	0	0	111.5	R455 V456 F458	R455-H487 WeakPolarHBondContact CA-O 3.41Å; R455-H487 WeakPolarHBondContact CD-O 3.3Å; V456-H487 HydrophobicContact CG1-CB 3.82Å; V456-H487 WeakPolarHBondContact CG1-O 3.31Å; V456-H487 PolarHBondContact N-O 3.48Å; V456-H487 PolarHBondContact O-N 3.46Å; V456-H487 VanDerWaalsContact O-N 3.12Å; F458-H487 HydrophobicContact CD2-CB 4.23Å; F458-H487 HydrophobicContact CE2-CB 3.8Å
488	P	94.5	Very high	78.1	Confident	56 Å²	56	99.7 Å²	99.7	36%	0.364	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	143.3	166.6	-24.8	35.6	0	0	0	111.7	S454	S454-P488 WeakPolarHBondContact O-CA 3.47Å
489	C	88.1	Confident	75.3	Confident	19 Å²	19	102.8 Å²	102.8	13%	0.128	53%	0.527	C	S	.	.			trans	-128.5	136.5	170.9	65	0	0	0	0	110.9	S454 R455 V456 T463	S454-C489 PolarHBondContact O-N 3.29Å; R455-C489 VanDerWaalsContact C-SG 3.53Å; R455-C489 PolarHBondContact N-SG 3.41Å; V456-C489 HydrophobicContact CB-CB 4.13Å; V456-C489 HydrophobicContact CG1-CB 4.23Å; T463-C489 HydrophobicContact CG2-CB 4Å
490	F	85.2	Confident	72.3	Confident	193 Å²	193	110.3 Å²	110.3	85%	0.846	56%	0.558	S	S	*	*			trans	-103.9	117.7	176.1	-57.6	-85.1	0	0	0	108
491	L	79.2	Confident	69.4	Low	25 Å²	25	110 Å²	110	13%	0.131	56%	0.564	C	S	.	*			trans	-99.4	144.8	-176.9	-65.2	168.1	0	0	0	110.2	I453 W493 N494	I453-L491 HydrophobicContact CB-CD1 3.74Å; I453-L491 HydrophobicContact CG2-CD1 3.75Å; L491-W493 HydrophobicContact CB-CD2 4.29Å; L491-W493 HydrophobicContact CB-CZ2 4.13Å; L491-W493 HydrophobicContact CD1-CZ2 3.82Å; L491-W493 HydrophobicContact CD2-CZ2 4.24Å; L491-W493 HydrophobicContact CG-CZ2 4.29Å; L491-W493 PolarHBondContact O-N 2.72Å; L491-N494 PolarHBondContact O-N 3.34Å
492	P	67.5	Low	66.5	Low	123 Å²	123	109.2 Å²	109.2	80%	0.799	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-20.1	-170.5	-25.2	35.3	0	0	0	115.5
493	W	68.5	Low	63.5	Low	113 Å²	113	111.4 Å²	111.4	43%	0.428	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-0.4	-179.5	51.2	70.1	0	0	0	114.2	A443 L491 T495	A443-W493 VanDerWaalsContact CB-NE1 3.35Å; L491-W493 HydrophobicContact CB-CD2 4.29Å; L491-W493 HydrophobicContact CB-CZ2 4.13Å; L491-W493 HydrophobicContact CD1-CZ2 3.82Å; L491-W493 HydrophobicContact CD2-CZ2 4.24Å; L491-W493 HydrophobicContact CG-CZ2 4.29Å; L491-W493 PolarHBondContact O-N 2.72Å; W493-T495 VanDerWaalsContact C-N 3.27Å; W493-T495 PolarHBondContact O-N 3Å
494	N	56.8	Low	60.1	Low	68 Å²	68	117 Å²	117	36%	0.364	61%	0.613	S	S	.	*			trans	-77.4	76.5	177.2	-69.8	12	0	0	0	110.3	L491 E496	L491-N494 PolarHBondContact O-N 3.34Å; N494-E496 PolarHBondContact O-N 3.44Å
495	T	48.3	Very low	57	Low	129 Å²	129	117.9 Å²	117.9	79%	0.791	62%	0.621	S	S	*	*			trans	-78.4	54.8	-178.2	59.2	0	0	0	0	113.2	W493	W493-T495 VanDerWaalsContact C-N 3.27Å; W493-T495 PolarHBondContact O-N 3Å
496	E	44.6	Very low	54.4	Low	183 Å²	183	118.3 Å²	118.3	86%	0.855	63%	0.63	S	S	*	*			trans	-102.4	70.5	170.6	-69.2	-165.6	149.6	0	0	110.6	N494 N498	N494-E496 PolarHBondContact O-N 3.44Å; E496-N498 VanDerWaalsContact C-N 3.27Å; E496-N498 PolarHBondContact O-N 2.94Å; E496-N498 VanDerWaalsContact O-N 3.08Å
497	S	37.3	Very low	51.1	Low	110 Å²	110	120.6 Å²	120.6	77%	0.769	65%	0.654	S	S	*	*			trans	-81.2	71.1	170.6	60.9	0	0	0	0	110.9
498	N	30.5	Very low	47.8	Very low	149 Å²	149	121.1 Å²	121.1	80%	0.797	67%	0.669	S	S	*	*			trans	-160.7	156.8	163.5	-100	-34.8	0	0	0	112	E496	E496-N498 VanDerWaalsContact C-N 3.27Å; E496-N498 PolarHBondContact O-N 2.94Å; E496-N498 VanDerWaalsContact O-N 3.08Å
499	N	31.4	Very low	44.6	Very low	147 Å²	147	124.5 Å²	124.5	79%	0.786	69%	0.689	S	S	*	*			trans	64	84.9	176.8	-62.8	-0.7	0	0	0	116.2	E501	N499-E501 PolarHBondContact O-N 3.02Å
500	E	31.6	Very low	41.8	Very low	201 Å²	201	132.2 Å²	132.2	94%	0.939	72%	0.721	S	S	*	*			trans	-65.7	68.9	156.5	-61.3	-178.8	124.4	0	0	111.7
501	E	30.7	Very low	39.1	Very low	170 Å²	170	132.2 Å²	132.2	79%	0.794	72%	0.72	S	S	*	*			trans	-101.2	80.3	168.3	-155	162.9	-138.2	0	0	110.4	N499 C503	N499-E501 PolarHBondContact O-N 3.02Å; E501-C503 PolarHBondContact O-N 3.11Å
502	V	31.3	Very low	36.6	Very low	109 Å²	109	138.3 Å²	138.3	66%	0.661	75%	0.753	S	S	*	*			trans	-70.8	95.8	-178.8	-170.6	0	0	0	0	109.6	L504	V502-L504 HydrophobicContact CG1-CD2 3.73Å; V502-L504 HydrophobicContact CG1-CG 3.9Å; V502-L504 PolarHBondContact O-N 3.28Å
503	C	31.5	Very low	34.8	Very low	122 Å²	122	138 Å²	138	82%	0.824	75%	0.749	S	S	*	*			trans	-66.2	78.8	168.9	-62.8	0	0	0	0	111	E501	E501-C503 PolarHBondContact O-N 3.11Å
504	L	25.1	Very low	32.9	Very low	136 Å²	136	137.8 Å²	137.8	71%	0.712	76%	0.764	S	S	*	*			trans	-66	152.9	169.5	-64.2	172.4	0	0	0	110.6	V502	V502-L504 HydrophobicContact CG1-CD2 3.73Å; V502-L504 HydrophobicContact CG1-CG 3.9Å; V502-L504 PolarHBondContact O-N 3.28Å
505	L	29	Very low	31.6	Very low	163 Å²	163	140.7 Å²	140.7	85%	0.853	78%	0.78	S	S	*	*			trans	83	150.1	169.1	-50	163.8	0	0	0	116.2
506	P	40.5	Very low	30.5	Very low	106 Å²	106	144.5 Å²	144.5	69%	0.688	78%	0.78	S	S	*	*				-139.8	-177.9	-57.5	38.2	-22	0	0	0	114.1
507	S	27.4	Very low	29.6	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	78%	0.779	S	S	*	*			trans	75.8	83.9	150.2	-58	0	0	0	0	120
508	C	24.8	Very low	29.4	Very low	119 Å²	119	147.7 Å²	147.7	80%	0.804	78%	0.777	S	S	*	*			trans	-125.2	89.7	137.1	48.5	0	0	0	0	109.7	F510	C508-F510 PolarHBondContact O-N 3.44Å; C508-F510 VanDerWaalsContact O-N 3.08Å
509	T	27.8	Very low	29.3	Very low	127 Å²	127	145.4 Å²	145.4	78%	0.779	77%	0.773	S	S	*	*			trans	-78.5	91.6	-173.9	47.7	0	0	0	0	111.9	K511	T509-K511 PolarHBondContact O-N 3Å
510	F	28.7	Very low	29	Very low	182 Å²	182	146.5 Å²	146.5	80%	0.798	77%	0.773	S	S	*	*			trans	-75.9	62.6	179.1	-120.2	-85.7	0	0	0	113.3	C508 V513	C508-F510 PolarHBondContact O-N 3.44Å; C508-F510 VanDerWaalsContact O-N 3.08Å; F510-V513 HydrophobicContact CD1-CG2 3.7Å; F510-V513 HydrophobicContact CE1-CG2 3.87Å
511	K	27.6	Very low	28.8	Very low	192 Å²	192	147.8 Å²	147.8	84%	0.835	77%	0.769	S	S	*	*			trans	-106.1	89.8	159.7	-91.6	-169.7	173.6	-177.3	0	108.7	T509	T509-K511 PolarHBondContact O-N 3Å
512	D	28.2	Very low	28.5	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	77%	0.771	S	S	*	*			trans	-175.6	49.5	144.6	-92	-18.5	0	0	0	111.5	S514	D512-S514 PolarHBondContact O-N 3.38Å
513	V	28.4	Very low	28.2	Very low	116 Å²	116	147.6 Å²	147.6	70%	0.703	77%	0.771	S	S	*	*			trans	-97.7	64.8	169.2	-170.3	0	0	0	0	108.8	F510	F510-V513 HydrophobicContact CD1-CG2 3.7Å; F510-V513 HydrophobicContact CE1-CG2 3.87Å
514	S	29.4	Very low	27.8	Very low	109 Å²	109	151.7 Å²	151.7	76%	0.762	77%	0.769	S	S	*	*			trans	-152	-26.1	177.7	-75.7	0	0	0	0	115.6	D512 R516	D512-S514 PolarHBondContact O-N 3.38Å; S514-R516 PolarHBondContact O-N 3.49Å
515	D	29.2	Very low	27.9	Very low	128 Å²	128	152.5 Å²	152.5	68%	0.684	77%	0.769	S	S	*	*			trans	-80.8	56.4	-177.4	-123.9	42.1	0	0	0	112.7	K518	D515-K518 IonicContact OD1-NZ 2.74Å; D515-K518 PolarHBondContact OD1-NZ 3Å; D515-K518 IonicContact OD2-NZ 3.43Å; D515-K518 PolarHBondContact OD2-NZ 3.47Å
516	R	25.1	Very low	27.9	Very low	209 Å²	209	152.1 Å²	152.1	79%	0.789	76%	0.762	S	S	*	*			trans	-81.1	136.6	163.5	-138.9	178.7	-161.2	-179.4	6.3	107.7	S514	S514-R516 PolarHBondContact O-N 3.49Å
517	F	26.8	Very low	27.1	Very low	191 Å²	191	155.1 Å²	155.1	84%	0.838	77%	0.765	S	S	*	*			trans	69.9	83.2	178	-47.6	-79.3	0	0	0	117.3
518	K	32.5	Very low	26.9	Very low	170 Å²	170	156 Å²	156	74%	0.739	76%	0.762	S	S	*	*			trans	-122	137.3	143.2	-75	-179.1	-173.2	116.5	0	109.9	D515	D515-K518 IonicContact OD1-NZ 2.74Å; D515-K518 PolarHBondContact OD1-NZ 3Å; D515-K518 IonicContact OD2-NZ 3.43Å; D515-K518 PolarHBondContact OD2-NZ 3.47Å
519	S	27.7	Very low	26.8	Very low	101 Å²	101	156.5 Å²	156.5	71%	0.706	76%	0.756	S	S	*	*			trans	-117.9	165	-163.6	55.9	0	0	0	0	112.9
520	H	25.4	Very low	26.6	Very low	169 Å²	169	155.7 Å²	155.7	78%	0.782	75%	0.751	S	S	*	*			trans	48.7	109.6	159.3	-63.4	-58.3	0	0	0	120.2
521	R	27.2	Very low	26.3	Very low	229 Å²	229	153.2 Å²	153.2	86%	0.864	75%	0.751	S	S	*	*				172.5	121.5	113.8	-92.6	158.4	-179.7	-170.2	-0.1	109.6
522	H	25.3	Very low	26.4	Very low	181 Å²	181	149.6 Å²	149.6	84%	0.838	75%	0.75	S	S	*	*				55.7	121.3	92	-75.9	-52.6	0	0	0	115.4
523	S	24.9	Very low	26.2	Very low	94 Å²	94	149.5 Å²	149.5	66%	0.657	75%	0.749	S	S	*	*				137.4	105.6	117.6	-174.6	0	0	0	0	117.4
524	R	23.4	Very low	26.5	Very low	208 Å²	208	148.9 Å²	148.9	79%	0.785	75%	0.751	S	S	*	*			trans	64.8	126.1	132.4	-67.7	178.8	176	158.1	-3	123
525	H	25.5	Very low	26.4	Very low	153 Å²	153	150.4 Å²	150.4	71%	0.708	76%	0.755	S	S	*	*			trans	64.2	166	144.3	-50.1	-43.6	0	0	0	116.7
526	H	30	Very low	26.4	Very low	154 Å²	154	151.4 Å²	151.4	71%	0.713	76%	0.759	S	S	*	*			cis	-134.9	139.7	4.9	-106.2	-58.9	0	0	0	109.8
527	K	23.1	Very low	26.5	Very low	170 Å²	170	150.3 Å²	150.3	74%	0.739	76%	0.763	S	S	*	*				55	128.3	103.6	-88	-162.8	175.2	-173	0	118.9
528	N	23.4	Very low	26.6	Very low	121 Å²	121	150.2 Å²	150.2	65%	0.647	77%	0.765	S	S	*	*			trans	90.4	120	138.7	-70.8	24.1	0	0	0	122.1
529	N	23.9	Very low	26.4	Very low	128 Å²	128	148 Å²	148	68%	0.684	77%	0.765	S	S	*	*				90.9	121	125.2	-74	23.8	0	0	0	123.4
530	T	23.2	Very low	26.5	Very low	110 Å²	110	148.3 Å²	148.3	68%	0.675	78%	0.775	S	S	*	*			trans	73.6	118.1	131.3	56.6	0	0	0	0	122.5
531	T	23.2	Very low	26.6	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	77%	0.774	S	S	*	*			trans	57.9	111.5	134.9	60.9	0	0	0	0	120.5
532	S	28.3	Very low	26.5	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	77%	0.768	S	S	*	*				-170.1	174	104.7	62.7	0	0	0	0	111.9
533	D	25.3	Very low	26.6	Very low	152 Å²	152	135.8 Å²	135.8	81%	0.813	76%	0.764	S	S	*	*			trans	-65.6	145.7	-170.4	-50.5	-89.5	0	0	0	116.2
534	S	33.9	Very low	26.6	Very low	104 Å²	104	137 Å²	137	73%	0.727	77%	0.772	S	S	*	*				-173.6	132	118.4	31.1	0	0	0	0	111.4	L536	S534-L536 PolarHBondContact O-N 3.06Å
535	V	26.3	Very low	26.9	Very low	140 Å²	140	132.2 Å²	132.2	85%	0.848	77%	0.77	S	S	*	*			trans	-89.1	102.7	174.1	179.4	0	0	0	0	108.7
536	L	30	Very low	27	Very low	150 Å²	150	133 Å²	133	79%	0.785	77%	0.774	S	S	*	*			trans	-107.1	134.5	165.4	-73.3	172.9	0	0	0	109	S534 E538	S534-L536 PolarHBondContact O-N 3.06Å; L536-E538 PolarHBondContact O-N 2.88Å
537	H	26.8	Very low	27	Very low	185 Å²	185	132.3 Å²	132.3	86%	0.856	78%	0.775	S	S	*	*			trans	-69.3	116.4	176	-89.1	-94.9	0	0	0	110	T539	H537-T539 PolarHBondContact O-N 2.66Å
538	E	28.5	Very low	27.5	Very low	190 Å²	190	129 Å²	129	89%	0.888	77%	0.773	S	S	*	*			trans	-64.7	114.2	168.3	-65.6	-178	130.7	0	0	109.5	L536	L536-E538 PolarHBondContact O-N 2.88Å
539	T	30	Very low	28	Very low	122 Å²	122	127.7 Å²	127.7	75%	0.748	77%	0.773	S	S	*	*			trans	-65.3	136.3	161.5	44.8	0	0	0	0	108.3	H537 S541	H537-T539 PolarHBondContact O-N 2.66Å; T539-S541 PolarHBondContact O-N 3.24Å
540	A	28.1	Very low	28.3	Very low	109 Å²	109	128.8 Å²	128.8	90%	0.901	77%	0.772	S	S	*	*			trans	-61.8	93	-171.8	0	0	0	0	0	112.2
541	S	27.5	Very low	28.7	Very low	109 Å²	109	130 Å²	130	76%	0.762	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.5	130.7	173.1	-65.6	0	0	0	0	109.1	T539	T539-S541 PolarHBondContact O-N 3.24Å
542	A	26.7	Very low	29	Very low	89 Å²	89	131 Å²	131	74%	0.736	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-59.4	142.8	178	0	0	0	0	0	110.7	S544	A542-S544 PolarHBondContact O-N 2.89Å; A542-S544 VanDerWaalsContact O-N 3.16Å
543	P	26.7	Very low	29.2	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.5	118.3	-170.8	24.3	-34.1	0	0	0	111.9	C545	P543-C545 VanDerWaalsContact C-N 3.31Å; P543-C545 PolarHBondContact O-N 3.33Å
544	S	25.3	Very low	29.3	Very low	118 Å²	118	131.8 Å²	131.8	83%	0.825	76%	0.757	S	S	*	*			trans	-73.2	79	176.3	56	0	0	0	0	111.2	A542	A542-S544 PolarHBondContact O-N 2.89Å; A542-S544 VanDerWaalsContact O-N 3.16Å
545	C	28.7	Very low	29.1	Very low	109 Å²	109	131.8 Å²	131.8	74%	0.736	76%	0.757	S	S	*	*			trans	-68.8	132.2	169.5	-77.7	0	0	0	0	110.8	P543 L547	P543-C545 VanDerWaalsContact C-N 3.31Å; P543-C545 PolarHBondContact O-N 3.33Å; C545-L547 VanDerWaalsContact C-N 3.3Å; C545-L547 PolarHBondContact O-N 2.85Å
546	E	28.5	Very low	29.1	Very low	168 Å²	168	133.4 Å²	133.4	79%	0.785	75%	0.753	S	S	*	*			trans	-74.6	74.1	-174.7	-60.8	-176.3	129	0	0	112.3	S548	E546-S548 PolarHBondContact O-N 3.42Å
547	L	30.4	Very low	29	Very low	141 Å²	141	131.8 Å²	131.8	74%	0.738	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	20	-178.6	-151.2	76	0	0	0	114.2	C545	C545-L547 VanDerWaalsContact C-N 3.3Å; C545-L547 PolarHBondContact O-N 2.85Å
548	S	32.2	Very low	28.9	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-17.6	-178.8	54.4	0	0	0	0	113.8	E546	E546-S548 PolarHBondContact O-N 3.42Å
549	S	35.1	Very low	28.7	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	74%	0.742	S	S	*	*	S	Bend	trans	-79.2	-35.4	-179.5	53.5	0	0	0	0	113.6	I551	S549-I551 PolarHBondContact O-N 3.08Å
550	F	29.4	Very low	28.5	Very low	152 Å²	152	129.6 Å²	129.6	67%	0.667	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-74.9	-20.7	-166.9	-148.8	-96	0	0	0	115
551	I	31.5	Very low	28.3	Very low	134 Å²	134	129.2 Å²	129.2	69%	0.687	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-76.9	-21.5	-176.2	-68.1	177.9	0	0	0	112.3	S549 E553	S549-I551 PolarHBondContact O-N 3.08Å; I551-E553 PolarHBondContact O-N 2.91Å
552	H	30.4	Very low	28	Very low	151 Å²	151	129.3 Å²	129.3	70%	0.699	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-85.3	-7.4	-170.7	-149	-54.2	0	0	0	114.8
553	E	31.6	Very low	28.1	Very low	162 Å²	162	131.1 Å²	131.1	76%	0.757	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-25.5	-174.3	-162.8	148.1	-131.6	0	0	114	I551 S555	I551-E553 PolarHBondContact O-N 2.91Å; E553-S555 PolarHBondContact O-N 3.15Å
554	I	27.2	Very low	27.8	Very low	124 Å²	124	132.5 Å²	132.5	64%	0.636	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-74.1	-27.1	-178.8	-61.8	178.2	0	0	0	112.1	K556	I554-K556 PolarHBondContact O-N 2.9Å; I554-K556 VanDerWaalsContact O-N 3.07Å
555	S	29.5	Very low	27.7	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-82.8	29.9	-176.6	-55.7	0	0	0	0	114.9	E553	E553-S555 PolarHBondContact O-N 3.15Å
556	K	27.5	Very low	27.6	Very low	173 Å²	173	137.3 Å²	137.3	75%	0.752	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-136.7	8.7	-179.6	-82	-164.3	173.6	-176.4	0	116.5	I554	I554-K556 PolarHBondContact O-N 2.9Å; I554-K556 VanDerWaalsContact O-N 3.07Å
557	T	27	Very low	27.3	Very low	117 Å²	117	134 Å²	134	72%	0.718	74%	0.744	S	S	*	*	S	Bend	trans	-118.2	54.4	179.2	58.5	0	0	0	0	113.1
558	C	26.1	Very low	26.9	Very low	119 Å²	119	132.9 Å²	132.9	80%	0.804	74%	0.743	S	S	*	*	S	Bend	trans	176.6	84.5	154	-100.3	0	0	0	0	109.5
559	D	23.7	Very low	26.4	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	75%	0.751	S	S	*	*			trans	171.4	100.1	145.9	-95	-22.7	0	0	0	111
560	H	26	Very low	25.8	Very low	185 Å²	185	136.1 Å²	136.1	86%	0.856	76%	0.757	S	S	*	*				173.8	128.8	110	-95.2	-63.4	0	0	0	111.6
561	S	22.9	Very low	25.6	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	77%	0.765	S	S	*	*			trans	-81.5	150.7	167.9	43.4	0	0	0	0	111.7
562	S	22.9	Very low	25.2	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	77%	0.771	S	S	*	*			trans	56.5	111.4	163.5	59.3	0	0	0	0	119.6
563	S	27.3	Very low	25	Very low	126 Å²	126	134.3 Å²	134.3	88%	0.881	78%	0.776	S	S	*	*				-168.9	165.9	120.1	36.7	0	0	0	0	112.4
564	L	21.7	Very low	24.5	Very low	147 Å²	147	137.7 Å²	137.7	77%	0.77	78%	0.782	S	S	*	*			trans	-81.3	154.6	-169.5	-100.1	58.8	0	0	0	114.2
565	N	22.4	Very low	24.3	Very low	135 Å²	135	138.5 Å²	138.5	72%	0.722	79%	0.792	S	S	*	*			trans	42.6	114.9	143.1	-56.1	-20.6	0	0	0	119.2
566	Q	26.2	Very low	23.8	Very low	194 Å²	194	138.6 Å²	138.6	91%	0.907	79%	0.793	S	S	*	*				-167.4	162.2	107	-104.3	168.3	34.3	0	0	114.9
567	S	23.7	Very low	23.7	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	80%	0.797	S	S	*	*			trans	-52.3	147.1	-171	45.7	0	0	0	0	119.3
568	T	20.2	Very low	23.4	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	80%	0.795	S	S	*	*			trans	-19.1	150.1	148.8	54.2	0	0	0	0	117.7
569	P	23.4	Very low	23.3	Very low	134 Å²	134	138 Å²	138	87%	0.87	79%	0.792	S	S	*	*				-124.6	158.8	108.2	36.6	-33.9	0	0	0	114.5
570	T	20.8	Very low	23.2	Very low	126 Å²	126	138.7 Å²	138.7	77%	0.773	79%	0.79	S	S	*	*			trans	-105.9	145.7	-168.9	-39.1	0	0	0	0	112.9
571	S	24.9	Very low	23.1	Very low	118 Å²	118	134.9 Å²	134.9	83%	0.825	78%	0.784	S	S	*	*			trans	-156.2	98.5	160.5	56.8	0	0	0	0	113.4
572	I	24.4	Very low	23.1	Very low	157 Å²	157	137.3 Å²	137.3	81%	0.805	79%	0.789	S	S	*	*			trans	-131.4	146	165.5	-68.6	-177.6	0	0	0	107.8
573	P	26.2	Very low	23.1	Very low	125 Å²	125	138 Å²	138	81%	0.812	79%	0.789	S	S	*	*			trans	-74.2	158.9	-161.5	-20.3	35	0	0	0	116.5
574	R	20.5	Very low	22.9	Very low	233 Å²	233	138.4 Å²	138.4	88%	0.879	78%	0.781	S	S	*	*			trans	-75.8	132	174.1	-66.4	173.3	172.2	167.6	-4.7	112.2
575	V	23.1	Very low	22.8	Very low	141 Å²	141	141 Å²	141	86%	0.855	78%	0.781	S	S	*	*			trans	-131.1	134.6	144.6	179.2	0	0	0	0	107.2
576	S	20.1	Very low	22.9	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	79%	0.79	S	S	*	*			trans	-117.4	107.1	-169.6	-52.9	0	0	0	0	111.3
577	I	23.9	Very low	22.6	Very low	165 Å²	165	140 Å²	140	85%	0.846	78%	0.781	S	S	*	*			trans	-135	124.3	161.6	-60.6	-176.1	0	0	0	108
578	S	20.3	Very low	22.5	Very low	97 Å²	97	146.6 Å²	146.6	68%	0.678	79%	0.791	S	S	*	*			trans	-98.3	131.8	175	52.2	0	0	0	0	110.8
579	N	23.8	Very low	22.6	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	80%	0.795	S	S	*	*				-175.2	135.2	121.6	-97	-25.6	0	0	0	115.1
580	Q	23.2	Very low	22.4	Very low	160 Å²	160	144.8 Å²	144.8	75%	0.748	79%	0.793	S	S	*	*			trans	65.6	128.2	140.1	-63.1	175.2	-1.1	0	0	121.6
581	S	23.7	Very low	22.8	Very low	105 Å²	105	144.9 Å²	144.9	73%	0.734	80%	0.795	S	S	*	*			trans	58.6	143.5	146	55.5	0	0	0	0	119.9
582	N	21.4	Very low	22.5	Very low	152 Å²	152	144.7 Å²	144.7	81%	0.813	79%	0.794	S	S	*	*			cis	171.8	179.6	-20.2	-111.6	-14.2	0	0	0	104.9
583	V	24.9	Very low	22.6	Very low	127 Å²	127	144.8 Å²	144.8	77%	0.77	79%	0.794	S	S	*	*			trans	72.8	89.9	176.5	-166.2	0	0	0	0	112.4
584	N	22.1	Very low	22.3	Very low	134 Å²	134	143.8 Å²	143.8	72%	0.717	79%	0.79	S	S	*	*				76.6	111.8	68.4	-72.5	-13.3	0	0	0	115.8
585	Y	19.2	Very low	22.7	Very low	200 Å²	200	138.2 Å²	138.2	78%	0.784	78%	0.778	S	S	*	*			trans	31.4	126.5	133.9	-71.2	-86.2	0	0	0	120.4
586	F	25.5	Very low	22.7	Very low	206 Å²	206	138.9 Å²	138.9	90%	0.904	77%	0.772	S	S	*	*				-139.8	136.6	123.7	-109	-76.5	0	0	0	111.8
587	S	18.3	Very low	22.9	Very low	103 Å²	103	142.7 Å²	142.7	72%	0.72	78%	0.775	S	S	*	*			trans	-139.8	120	173.5	-54.1	0	0	0	0	109.5
588	R	23.3	Very low	23.5	Very low	236 Å²	236	140 Å²	140	89%	0.891	77%	0.768	S	S	*	*			trans	-163.9	112.2	168.3	-139	161	-178.7	166.1	0.4	107.2
589	A	21.9	Very low	23.6	Very low	97 Å²	97	141.5 Å²	141.5	80%	0.802	78%	0.777	S	S	*	*				87.5	138.7	55	0	0	0	0	0	113.4
590	S	19.1	Very low	23.5	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	79%	0.786	S	S	*	*			trans	-82.8	160.3	-163	-36.6	0	0	0	0	115.2
591	P	29	Very low	23.3	Very low	128 Å²	128	142.7 Å²	142.7	83%	0.831	79%	0.786	S	S	*	*			trans	-97.7	160.2	159	37.2	-31.1	0	0	0	112.7
592	S	18.9	Very low	23.3	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	79%	0.793	S	S	*	*			trans	-154.2	124.9	-178.4	56.8	0	0	0	0	113.3
593	I	26.5	Very low	23.2	Very low	159 Å²	159	141.7 Å²	141.7	82%	0.815	79%	0.787	S	S	*	*			trans	-152.7	157.2	175.4	-56.4	-176.7	0	0	0	108.3
594	S	20	Very low	23.1	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	80%	0.795	S	S	*	*				-175.4	-9.7	-75.4	53.8	0	0	0	0	114.6
595	D	27.8	Very low	23.1	Very low	115 Å²	115	144.3 Å²	144.3	62%	0.615	80%	0.798	S	S	*	*			trans	-84.8	134.4	-174.7	-76	-50.9	0	0	0	113.5
596	Q	23.7	Very low	23.2	Very low	155 Å²	155	140 Å²	140	72%	0.724	80%	0.803	S	S	*	*				68.3	135.1	65	-64.7	-168	92.8	0	0	114
597	K	23.7	Very low	23	Very low	187 Å²	187	135.7 Å²	135.7	81%	0.813	80%	0.799	S	S	*	*			cis	-159.4	176.9	-12.7	-120.4	-161.5	173.3	-176.9	0	108.6
598	P	36.6	Very low	23.3	Very low	109 Å²	109	137.9 Å²	137.9	71%	0.708	81%	0.808	S	S	*	*			trans	-103.4	165.3	-163	40.1	-38.5	0	0	0	117.4
599	C	23.1	Very low	23.3	Very low	127 Å²	127	132.4 Å²	132.4	86%	0.858	81%	0.806	S	S	*	*			trans	-132.6	126.5	145.4	-62.7	0	0	0	0	106.5
600	E	21.8	Very low	23.4	Very low	196 Å²	196	131.6 Å²	131.6	92%	0.916	81%	0.807	S	S	*	*				85.1	148.6	59.2	-98.1	-174	-161.6	0	0	116.2
601	V	18.8	Very low	23.6	Very low	124 Å²	124	133.8 Å²	133.8	75%	0.752	81%	0.809	S	S	*	*			trans	-102.7	152.4	-155.4	176.5	0	0	0	0	111.7
602	S	23.9	Very low	23.6	Very low	125 Å²	125	133.3 Å²	133.3	87%	0.874	81%	0.809	S	S	*	*			trans	-138	108.3	165.5	-75.3	0	0	0	0	111.3
603	T	19.8	Very low	23.7	Very low	111 Å²	111	134.1 Å²	134.1	68%	0.681	81%	0.809	S	S	*	*			trans	-101.3	124.5	172.9	-56.1	0	0	0	0	108.6
604	M	23	Very low	23.8	Very low	189 Å²	189	132.5 Å²	132.5	93%	0.931	81%	0.808	S	S	*	*			trans	-135.7	117.5	169.1	-88.2	-66.8	161.6	0	0	110.7
605	T	20.7	Very low	23.8	Very low	128 Å²	128	132.1 Å²	132.1	79%	0.785	81%	0.806	S	S	*	*			trans	-108.3	125.1	174.9	49.2	0	0	0	0	109.4
606	A	22.5	Very low	23.7	Very low	109 Å²	109	134.5 Å²	134.5	90%	0.901	82%	0.818	S	S	*	*			trans	-150.5	126.2	162.4	0	0	0	0	0	109.5
607	S	20.2	Very low	23.5	Very low	115 Å²	115	132.7 Å²	132.7	80%	0.804	82%	0.817	S	S	*	*			trans	-111.8	140	176	50.7	0	0	0	0	110.3
608	T	25.3	Very low	23.5	Very low	149 Å²	149	129.6 Å²	129.6	91%	0.914	81%	0.814	S	S	*	*			trans	-151.5	141.7	154.9	19.1	0	0	0	0	110.2
609	S	22.2	Very low	22.8	Very low	122 Å²	122	130.1 Å²	130.1	85%	0.853	82%	0.82	S	S	*	*			trans	-92.3	155.9	173.6	46.6	0	0	0	0	111.2
610	G	24.8	Very low	22.8	Very low	79 Å²	79	128.7 Å²	128.7	81%	0.814	81%	0.812	S	S	*	*			trans	-154.3	119.2	175.1	0	0	0	0	0	111.2
611	N	22.7	Very low	23.1	Very low	165 Å²	165	126.5 Å²	126.5	88%	0.882	81%	0.806	S	S	*	*			trans	-85.3	145	-178.5	-67.7	-29.9	0	0	0	112
612	S	28.8	Very low	23.2	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	81%	0.81	S	S	*	*			trans	-159.9	118	144	53.9	0	0	0	0	111.3
613	V	21.8	Very low	23.5	Very low	130 Å²	130	127.5 Å²	127.5	79%	0.788	80%	0.804	S	S	*	*			trans	-111	129	172.2	173.2	0	0	0	0	108.8
614	P	28.5	Very low	23.9	Very low	125 Å²	125	128.3 Å²	128.3	81%	0.812	81%	0.808	S	S	*	*			trans	-103.8	131.8	162	33.3	-24.3	0	0	0	111.1
615	S	20.6	Very low	23.9	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	80%	0.798	S	S	*	*			trans	-116.3	122.4	177.4	-61.3	0	0	0	0	111.3
616	L	25.3	Very low	24.4	Very low	166 Å²	166	126.9 Å²	126.9	87%	0.869	80%	0.801	S	S	*	*			trans	-158.6	115.3	160.2	-130	70.2	0	0	0	105.4
617	V	20.3	Very low	24.6	Very low	117 Å²	117	130.8 Å²	130.8	71%	0.709	80%	0.801	S	S	*	*			cis	88.3	132.5	42.9	179.9	0	0	0	0	113
618	T	22.2	Very low	25.1	Very low	122 Å²	122	129.6 Å²	129.6	75%	0.748	80%	0.798	S	S	*	*			trans	80.9	121.2	167	30.7	0	0	0	0	122.6
619	S	23	Very low	25.3	Very low	119 Å²	119	130.7 Å²	130.7	83%	0.832	79%	0.793	S	S	*	*			trans	81.4	154.4	142.3	42.1	0	0	0	0	122
620	S	23.2	Very low	25.6	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	80%	0.795	S	S	*	*			trans	-85.6	169	-172.5	58.5	0	0	0	0	111.1
621	D	27.3	Very low	26	Very low	150 Å²	150	136 Å²	136	80%	0.802	79%	0.788	S	S	*	*				-144.9	151.9	52.8	-73.9	-36.3	0	0	0	115.7
622	N	21.5	Very low	26.6	Very low	153 Å²	153	132.7 Å²	132.7	82%	0.818	78%	0.783	S	S	*	*			trans	-88.4	159.1	153.6	-93.1	-47.2	0	0	0	108.6
623	P	29.3	Very low	27.3	Very low	117 Å²	117	130.2 Å²	130.2	76%	0.76	77%	0.766	S	S	*	*			cis	-136.3	170.4	21.1	41.9	-26.2	0	0	0	115.9
624	V	28.3	Very low	29	Very low	127 Å²	127	126.8 Å²	126.8	77%	0.77	75%	0.748	S	S	*	*				-165	150.1	125	137.6	0	0	0	0	109.2
625	S	24.2	Very low	31.1	Very low	101 Å²	101	124.8 Å²	124.8	71%	0.706	73%	0.733	S	S	*	*			trans	-68.6	134.5	-176.1	51.8	0	0	0	0	114.1
626	H	31	Very low	33.6	Very low	186 Å²	186	122.1 Å²	122.1	86%	0.861	71%	0.708	S	S	*	*			trans	-130.9	127.3	145.5	-96.3	-81.4	0	0	0	109.1	A628	H626-A628 PolarHBondContact O-N 3.19Å
627	E	26.8	Very low	36.3	Very low	191 Å²	191	122.2 Å²	122.2	89%	0.893	70%	0.697	S	S	*	*			trans	-72.3	115.9	178.3	-63.9	-179.6	117.4	0	0	109.9
628	A	30.2	Very low	39.1	Very low	91 Å²	91	117 Å²	117	75%	0.752	67%	0.666	S	S	*	*			trans	-88.1	105.2	170.1	0	0	0	0	0	109	H626 K630	H626-A628 PolarHBondContact O-N 3.19Å; A628-K630 PolarHBondContact O-N 3.42Å
629	E	29.1	Very low	41.8	Very low	171 Å²	171	114.2 Å²	114.2	80%	0.799	65%	0.648	S	S	*	*			trans	-58.2	91.1	177.6	-70.5	-174.1	109.8	0	0	112	T631	E629-T631 PolarHBondContact O-N 2.84Å
630	K	27.9	Very low	44.1	Very low	204 Å²	204	110.5 Å²	110.5	89%	0.887	62%	0.616	S	S	*	*			trans	-78.9	59.6	162.8	-77.5	-170.6	175.7	179.8	0	110.5	A628 A632	A628-K630 PolarHBondContact O-N 3.42Å; K630-A632 VanDerWaalsContact C-N 3.28Å; K630-A632 PolarHBondContact O-N 3.03Å
631	T	33.3	Very low	45.5	Very low	110 Å²	110	112 Å²	112	68%	0.675	61%	0.613	S	S	*	*			trans	-67.3	91.1	162	50.1	0	0	0	0	108.4	E629 S633	E629-T631 PolarHBondContact O-N 2.84Å; T631-S633 PolarHBondContact O-N 3.42Å
632	A	35.5	Very low	46.1	Very low	94 Å²	94	110.3 Å²	110.3	78%	0.777	61%	0.608	S	S	*	*			trans	-58.4	120.3	171.2	0	0	0	0	0	108.6	K630 S634	K630-A632 VanDerWaalsContact C-N 3.28Å; K630-A632 PolarHBondContact O-N 3.03Å; A632-S634 VanDerWaalsContact C-N 3.27Å; A632-S634 PolarHBondContact O-N 3.31Å
633	S	44.4	Very low	46.9	Very low	65 Å²	65	110.3 Å²	110.3	46%	0.455	60%	0.603	S	S	.	*			trans	-71.9	84.2	-176.3	-167.7	0	0	0	0	110.7	S269 A270 T631 T635	S269-S633 PolarHBondContact OG-OG 3.16Å; A270-S633 PolarHBondContact N-OG 3.36Å; T631-S633 PolarHBondContact O-N 3.42Å; S633-T635 PolarHBondContact O-N 3.26Å; S633-T635 PolarHBondContact O-OG1 3.03Å
634	S	58.3	Low	47	Very low	59 Å²	59	115.5 Å²	115.5	41%	0.413	62%	0.624	S	S	.	*			trans	-49.8	105.4	175	-175	0	0	0	0	109.7	E327 A632	E327-S634 WeakPolarHBondContact OE1-CB 3.46Å; E327-S634 PolarHBondContact OE1-OG 2.58Å; A632-S634 VanDerWaalsContact C-N 3.27Å; A632-S634 PolarHBondContact O-N 3.31Å
635	T	70.7	Confident	48	Very low	83 Å²	83	115 Å²	115	51%	0.509	62%	0.617	S	S	.	*			trans	-95.3	104.5	-173.8	-62.2	0	0	0	0	108.6	N268 S269 S633	N268-T635 CarbonylContact O-C 3.43Å; N268-T635 WeakPolarHBondContact O-CA 3.35Å; S269-T635 WeakPolarHBondContact CB-OG1 3.44Å; S269-T635 PolarHBondContact OG-OG1 2.77Å; S633-T635 PolarHBondContact O-N 3.26Å; S633-T635 PolarHBondContact O-OG1 3.03Å
636	R	74.1	Confident	49.2	Very low	41 Å²	41	115.7 Å²	115.7	16%	0.155	61%	0.612	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.3	143.6	-178.9	-55.7	-174.8	-176	-164.7	3.9	109.1	T267 N268 Y298 Y301 E327	T267-R636 CarbonylContact C-O 3.53Å; T267-R636 WeakPolarHBondContact CA-O 3.36Å; T267-R636 WeakPolarHBondContact CB-O 3.29Å; N268-R636 PolarHBondContact N-O 2.98Å; N268-R636 PolarHBondContact O-N 2.97Å; Y298-R636 PolarHBondContact OH-NH1 3.06Å; Y301-R636 HydrophobicContact CE1-CB 4.24Å; Y301-R636 HydrophobicContact CE2-CB 4.2Å; E327-R636 VanDerWaalsContact CD-NH2 3.28Å; E327-R636 IonicContact OE1-NH2 3.98Å; E327-R636 PolarHBondContact OE1-NH2 2.97Å; E327-R636 IonicContact OE2-CZ 3.02Å; E327-R636 IonicContact OE2-NH2 3.84Å; E327-R636 PolarHBondContact OE2-NH2 2.91Å
637	R	81.7	Confident	50.3	Low	167 Å²	167	111.8 Å²	111.8	63%	0.63	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-140.4	137.3	-177.3	-179.8	-175.8	-65.9	179.2	-0.8	109.7	I266 T267 Y301 T639	I266-R637 WeakPolarHBondContact O-CA 3.48Å; T267-R637 HydrophobicContact CG2-CB 3.91Å; T267-R637 HydrophobicContact CG2-CG 3.9Å; Y301-R637 PolarHBondContact OH-N 3.08Å; R637-T639 HydrophobicContact CG-CG2 3.89Å
638	V	80.1	Confident	51.6	Low	9 Å²	9	107.1 Å²	107.1	6%	0.055	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	137.2	161.7	168.7	0	0	0	0	108	T265 I266 Y301 T305 L320 F342	T265-V638 WeakPolarHBondContact CA-O 3.32Å; T265-V638 VanDerWaalsContact CB-O 3.3Å; T265-V638 WeakPolarHBondContact CB-O 3.29Å; I266-V638 HydrophobicContact CG2-CB 4.14Å; I266-V638 PolarHBondContact N-O 2.92Å; I266-V638 PolarHBondContact O-N 2.97Å; Y301-V638 WeakPolarHBondContact OH-CG2 3.33Å; T305-V638 HydrophobicContact CG2-CG1 4.2Å; T305-V638 HydrophobicContact CG2-CG2 4.06Å; L320-V638 HydrophobicContact CD2-CG1 4.47Å; L320-V638 HydrophobicContact CD2-CG2 4.31Å; F342-V638 HydrophobicContact CE2-CG2 4.43Å; F342-V638 HydrophobicContact CZ-CG2 3.92Å
639	T	77.6	Confident	53	Low	62 Å²	62	108.1 Å²	108.1	38%	0.38	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.7	127.5	-176.4	56.1	0	0	0	0	110	T265 R637 Q641	T265-T639 HydrophobicContact CG2-CG2 3.63Å; R637-T639 HydrophobicContact CG-CG2 3.89Å; T639-Q641 PolarHBondContact O-N 2.88Å
640	W	72.3	Confident	54.6	Low	41 Å²	41	103.9 Å²	103.9	16%	0.155	56%	0.555	C	S	.	*			trans	-97.9	88.2	178.4	-58.4	-11.9	0	0	0	107.9	F260 V263 H264 I304 H308	F260-W640 HydrophobicContact CB-CZ3 3.77Å; F260-W640 AromaticContact CD1-CH2 3.47Å; F260-W640 HydrophobicContact CD1-CH2 3.47Å; F260-W640 VanDerWaalsContact CD1-CH2 3.47Å; F260-W640 AromaticContact CD1-CZ3 3.51Å; F260-W640 HydrophobicContact CD1-CZ3 3.51Å; F260-W640 AromaticContact CE1-CH2 3.95Å; F260-W640 HydrophobicContact CE1-CH2 3.95Å; F260-W640 HydrophobicContact CE1-CZ3 4.43Å; F260-W640 HydrophobicContact CG-CH2 4.27Å; F260-W640 AromaticContact CG-CZ3 3.99Å; F260-W640 HydrophobicContact CG-CZ3 3.99Å; F260-W640 WeakPolarHBondContact O-CZ3 3.49Å; V263-W640 HydrophobicContact CB-CE3 4.02Å; V263-W640 HydrophobicContact CB-CH2 4.22Å; V263-W640 HydrophobicContact CB-CZ3 3.59Å; V263-W640 HydrophobicContact CG1-CE3 4.39Å; V263-W640 HydrophobicContact CG1-CH2 4.12Å; V263-W640 HydrophobicContact CG1-CZ3 3.94Å; V263-W640 HydrophobicContact CG2-CZ3 4.38Å; H264-W640 PolarHBondContact O-N 2.87Å; I304-W640 HydrophobicContact CG2-CH2 4.06Å; I304-W640 HydrophobicContact CG2-CZ2 4.13Å; H308-W640 HydrophobicContact CB-CH2 3.53Å; H308-W640 HydrophobicContact CB-CZ2 3.46Å; H308-W640 VanDerWaalsContact CB-CZ2 3.46Å; H308-W640 HydrophobicContact CB-CZ3 4.25Å; H308-W640 AromaticContact CD2-CD2 4Å; H308-W640 AromaticContact CD2-CE3 3.62Å; H308-W640 AromaticContact CD2-CH2 3.61Å; H308-W640 AromaticContact CD2-CZ2 3.96Å; H308-W640 AromaticContact CD2-CZ3 3.39Å; H308-W640 WeakPolarHBondContact CD2-CZ3 3.16Å; H308-W640 AromaticContact CE1-CD2 3.62Å; H308-W640 AromaticContact CE1-CE2 3.85Å; H308-W640 AromaticContact CE1-CE3 3.9Å; H308-W640 AromaticContact CE1-CG 3.9Å; H308-W640 AromaticContact CG-CD2 3.96Å; H308-W640 AromaticContact CG-CE2 3.61Å; H308-W640 AromaticContact CG-CE3 3.99Å; H308-W640 AromaticContact CG-CH2 3.45Å; H308-W640 VanDerWaalsContact CG-CH2 3.45Å; H308-W640 AromaticContact CG-CZ2 3.39Å; H308-W640 AromaticContact CG-CZ3 3.73Å; H308-W640 AromaticContact ND1-CD2 3.74Å; H308-W640 AromaticContact ND1-CE2 3.45Å; H308-W640 AromaticContact ND1-CZ2 3.72Å; H308-W640 AromaticContact ND1-NE1 3.67Å; H308-W640 AromaticContact NE2-CD2 3.79Å; H308-W640 AromaticContact NE2-CE3 3.57Å; H308-W640 AromaticContact NE2-CZ3 3.87Å
641	Q	52.4	Low	56.5	Low	131 Å²	131	96.8 Å²	96.8	61%	0.612	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-90.3	120.6	174.4	-69.1	179.1	-79.8	0	0	109.2	T639	T639-Q641 PolarHBondContact O-N 2.88Å
642	T	40.5	Very low	58.3	Low	114 Å²	114	95.8 Å²	95.8	70%	0.699	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-61.3	133.4	137.2	45.9	0	0	0	0	107.6
643	E	38.3	Very low	60.2	Low	153 Å²	153	95.9 Å²	95.9	72%	0.715	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-86.1	127.5	148.2	-72.8	158.9	129	0	0	103.8	K317	K317-E643 IonicContact NZ-OE2 3.13Å; K317-E643 PolarHBondContact NZ-OE2 2.74Å
644	D	31.6	Very low	61.6	Low	226 Å²	226	98.7 Å²	98.7	100%	1.209	50%	0.503	S	S	*	.			trans	-73.2	0	-168.7	-61.1	-44.3	0	0	0	113.5

Retrieved 644 of 644 residues in 794.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).