A0A087XME9_POEFO Loading...

peptidylprolyl isomerase

PPIases accelerate the folding of proteins during protein synthesis.

AlphaFold DB , UniProt , Accession A0A087XME9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 583 aa.

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(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	C	34.6	Very low	31.6	Very low	169 Å²	169	148.4 Å²	148.4	100%	1.142	76%	0.761	S	S	*	*				0	138.9	0	-66.4	0	0	0	0	109.1
2	F	28.1	Very low	31.4	Very low	184 Å²	184	150.9 Å²	150.9	81%	0.807	78%	0.776	S	S	*	*			trans	42.3	124	156.7	-68.8	-117.8	0	0	0	119.3
3	Y	27.6	Very low	31.1	Very low	182 Å²	182	147.8 Å²	147.8	71%	0.714	77%	0.774	S	S	*	*			cis	-149.6	136.5	-6.3	-118.6	-114.5	0	0	0	105.1
4	V	28.7	Very low	31.2	Very low	105 Å²	105	145.6 Å²	145.6	64%	0.636	77%	0.769	S	S	*	*				73.6	125.3	61	166.5	0	0	0	0	112.3
5	T	29.9	Very low	31	Very low	103 Å²	103	149.7 Å²	149.7	63%	0.632	78%	0.778	S	S	*	*			cis	-175.7	151.7	-7.3	31.1	0	0	0	0	112.8
6	F	29.1	Very low	30.9	Very low	187 Å²	187	151.3 Å²	151.3	82%	0.82	78%	0.783	S	S	*	*			trans	63.9	168.4	145.3	-72.4	-139.3	0	0	0	118
7	K	28.1	Very low	30.8	Very low	185 Å²	185	150.9 Å²	150.9	80%	0.804	78%	0.782	S	S	*	*			cis	-136.1	165.4	4.4	-83.2	-165.2	172.5	-177.2	0	109.5
8	S	28.6	Very low	31.6	Very low	74 Å²	74	149.1 Å²	149.1	52%	0.517	78%	0.781	S	S	.	*			cis	101.8	119.1	4.3	85.8	0	0	0	0	119.5
9	F	28.1	Very low	31.6	Very low	195 Å²	195	149 Å²	149	86%	0.855	78%	0.78	S	S	*	*			trans	72.7	130.3	171	-65.2	-89.1	0	0	0	117.7
10	D	28.4	Very low	31.5	Very low	144 Å²	144	148.2 Å²	148.2	77%	0.77	79%	0.786	S	S	*	*			cis	88.1	161.5	27.2	-141.4	34.9	0	0	0	113.8
11	P	56.6	Low	31.8	Very low	104 Å²	104	146.5 Å²	146.5	68%	0.675	78%	0.781	S	S	*	*				-121.1	-175.2	-100.5	38.4	-21.1	0	0	0	115.1
12	L	28.8	Very low	31.8	Very low	179 Å²	179	144.9 Å²	144.9	94%	0.937	77%	0.766	S	S	*	*			trans	-147	160.3	177.5	-121.5	146.5	0	0	0	113.6
13	C	27.3	Very low	32.2	Very low	111 Å²	111	145 Å²	145	75%	0.75	77%	0.767	S	S	*	*			trans	-149.1	172.8	-155.8	-164.8	0	0	0	0	114.4
14	V	32.4	Very low	32.4	Very low	116 Å²	116	141.2 Å²	141.2	70%	0.703	77%	0.766	S	S	*	*			trans	74.5	116.8	162.6	-156.3	0	0	0	0	118.9
15	K	29.1	Very low	33	Very low	207 Å²	207	141.7 Å²	141.7	90%	0.9	77%	0.769	S	S	*	*				-174.7	163.9	115.6	-98.4	173	-173	178.7	0	115.2
16	M	29.3	Very low	33.1	Very low	175 Å²	175	144.4 Å²	144.4	86%	0.862	78%	0.779	S	S	*	*			trans	-90.1	167.9	-152.8	-65.9	163.7	57.8	0	0	117.7
17	L	29.6	Very low	33.6	Very low	146 Å²	146	140.6 Å²	140.6	76%	0.764	77%	0.771	S	S	*	*			trans	-18.8	165.1	150.8	-97	79.7	0	0	0	119.2
18	P	44.5	Very low	33.9	Very low	118 Å²	118	135.5 Å²	135.5	77%	0.766	76%	0.763	S	S	*	*			cis	-141.6	-179.2	32.8	42.4	-23	0	0	0	119.5
19	L	31.4	Very low	34.2	Very low	147 Å²	147	142.8 Å²	142.8	77%	0.77	78%	0.779	S	S	*	*			trans	-16.2	140.9	168.8	-84.9	61.6	0	0	0	119.6
20	C	29.6	Very low	34.2	Very low	132 Å²	132	142.6 Å²	142.6	89%	0.892	78%	0.779	S	S	*	*				-148.4	149	123.6	-154.5	0	0	0	0	110.5
21	V	38.7	Very low	34.4	Very low	114 Å²	114	140.3 Å²	140.3	69%	0.691	77%	0.774	S	S	*	*			trans	-110.7	129.5	-174.4	175.5	0	0	0	0	110.6
22	V	34.3	Very low	33.4	Very low	135 Å²	135	141.7 Å²	141.7	82%	0.818	78%	0.78	S	S	*	*			trans	-134.3	129	161	-178.5	0	0	0	0	108.8
23	F	36.4	Very low	33.5	Very low	187 Å²	187	141.8 Å²	141.8	82%	0.82	78%	0.776	S	S	*	*			trans	-87.5	126.6	176	-126.1	-104.5	0	0	0	109.3	V25	F23-V25 HydrophobicContact CD1-CG2 4.19Å; F23-V25 HydrophobicContact CE1-CG2 4.32Å
24	S	31.7	Very low	33.7	Very low	101 Å²	101	141.3 Å²	141.3	71%	0.706	77%	0.774	S	S	*	*			trans	-141	98	168.6	60.9	0	0	0	0	110.2	L26	S24-L26 PolarHBondContact O-N 3.06Å
25	V	40.7	Very low	33.8	Very low	115 Å²	115	143 Å²	143	70%	0.697	78%	0.779	S	S	*	*			trans	-72.6	116.5	175.7	176.3	0	0	0	0	108.9	F23 V27	F23-V25 HydrophobicContact CD1-CG2 4.19Å; F23-V25 HydrophobicContact CE1-CG2 4.32Å; V25-V27 HydrophobicContact CG1-CG2 4.09Å
26	L	33	Very low	34.4	Very low	160 Å²	160	138.9 Å²	138.9	84%	0.838	77%	0.773	S	S	*	*			trans	-119.1	105.4	167.7	-100.8	165.6	0	0	0	108.5	S24 A28	S24-L26 PolarHBondContact O-N 3.06Å; L26-A28 PolarHBondContact O-N 3.34Å
27	V	39.5	Very low	35.1	Very low	108 Å²	108	132.4 Å²	132.4	66%	0.655	75%	0.745	S	S	*	*			trans	-76.6	93	173.6	-176.2	0	0	0	0	107.7	V25 W29	V25-V27 HydrophobicContact CG1-CG2 4.09Å; V27-W29 PolarHBondContact O-N 3.03Å
28	A	33.2	Very low	36.1	Very low	77 Å²	77	129.5 Å²	129.5	64%	0.636	74%	0.735	S	S	*	*			trans	-66.2	102.2	170	0	0	0	0	0	109.1	L26 F30	L26-A28 PolarHBondContact O-N 3.34Å; A28-F30 PolarHBondContact O-N 2.91Å; A28-F30 VanDerWaalsContact O-N 3.13Å
29	W	34.7	Very low	36.8	Very low	227 Å²	227	128.8 Å²	128.8	86%	0.86	73%	0.728	S	S	*	*			trans	-66.1	108.4	166	-79.2	45.8	0	0	0	107.7	V27 S31	V27-W29 PolarHBondContact O-N 3.03Å; W29-S31 PolarHBondContact O-N 3.13Å
30	F	29.8	Very low	38	Very low	192 Å²	192	125.7 Å²	125.7	84%	0.842	71%	0.712	S	S	*	*			trans	-71.6	84.1	165.6	-85.4	-86.4	0	0	0	108.8	A28 V32	A28-F30 PolarHBondContact O-N 2.91Å; A28-F30 VanDerWaalsContact O-N 3.13Å; F30-V32 PolarHBondContact O-N 3.11Å; F30-V32 VanDerWaalsContact O-N 3.11Å
31	S	32.3	Very low	39.6	Very low	95 Å²	95	121.4 Å²	121.4	66%	0.664	69%	0.69	S	S	*	*			trans	-58.6	110.9	159.6	-64	0	0	0	0	107.9	W29 E33	W29-S31 PolarHBondContact O-N 3.13Å; S31-E33 VanDerWaalsContact C-N 3.33Å; S31-E33 PolarHBondContact O-N 2.97Å
32	V	34.2	Very low	41.5	Very low	134 Å²	134	120.2 Å²	120.2	81%	0.812	68%	0.68	S	S	*	*			trans	-72.2	94.6	169	178.1	0	0	0	0	106.8	F30 S34	F30-V32 PolarHBondContact O-N 3.11Å; F30-V32 VanDerWaalsContact O-N 3.11Å; V32-S34 PolarHBondContact O-N 3Å
33	E	31.5	Very low	44.2	Very low	181 Å²	181	113.8 Å²	113.8	85%	0.846	64%	0.641	S	S	*	*			trans	-68	98.2	170	-77.4	-176.2	133.7	0	0	108.8	S31 N35	S31-E33 VanDerWaalsContact C-N 3.33Å; S31-E33 PolarHBondContact O-N 2.97Å; E33-N35 PolarHBondContact O-N 3.06Å
34	S	32.5	Very low	46.9	Very low	101 Å²	101	107.5 Å²	107.5	71%	0.706	62%	0.618	S	S	*	*			trans	-62.4	105	168.3	53.9	0	0	0	0	108.8	V32 P36	V32-S34 PolarHBondContact O-N 3Å; S34-P36 WeakPolarHBondContact O-CD 3.49Å; S34-P36 VanDerWaalsContact O-N 3.17Å
35	N	33.8	Very low	49.9	Very low	152 Å²	152	103 Å²	103	81%	0.813	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-50.9	122.2	167.4	-92.2	-35.3	0	0	0	108.6	E33 S37	E33-N35 PolarHBondContact O-N 3.06Å; N35-S37 PolarHBondContact O-N 2.94Å
36	P	41.5	Very low	52.4	Low	119 Å²	119	100.1 Å²	100.1	77%	0.773	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-66.6	124	-178.7	26	-33	0	0	0	109.8	S34	S34-P36 WeakPolarHBondContact O-CD 3.49Å; S34-P36 VanDerWaalsContact O-N 3.17Å
37	S	44.3	Very low	55.3	Low	39 Å²	39	96.6 Å²	96.6	27%	0.273	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-55.8	143.2	-179.3	-52.2	0	0	0	0	111.8	N35 V39 D46	N35-S37 PolarHBondContact O-N 2.94Å; S37-V39 PolarHBondContact O-N 3.19Å; S37-V39 VanDerWaalsContact O-N 3.12Å; S37-D46 VanDerWaalsContact CB-OD1 3.25Å; S37-D46 WeakPolarHBondContact CB-OD1 3.32Å; S37-D46 PolarHBondContact OG-OD1 3.1Å
38	P	50.9	Low	57.9	Low	85 Å²	85	96.9 Å²	96.9	55%	0.552	53%	0.532	S	S	*	.			trans	-64.6	115.5	-179.1	26	-33.8	0	0	0	111.3	L40	P38-L40 PolarHBondContact O-N 3.38Å
39	V	58.5	Low	60.9	Low	103 Å²	103	97.5 Å²	97.5	62%	0.624	52%	0.522	S	S	*	.	B	Isolated β-bridge	trans	-81.6	90.9	179.8	176.8	0	0	0	0	108.8	S37 G41	S37-V39 PolarHBondContact O-N 3.19Å; S37-V39 VanDerWaalsContact O-N 3.12Å; V39-G41 VanDerWaalsContact C-N 3.29Å; V39-G41 CarbonylContact C-O 3.51Å; V39-G41 VanDerWaalsContact C-O 3.3Å; V39-G41 WeakPolarHBondContact CG1-O 3.14Å; V39-G41 PolarHBondContact O-N 2.88Å
40	L	57.1	Low	63.7	Low	83 Å²	83	91.2 Å²	91.2	44%	0.435	50%	0.504	S	S	.	.			trans	-84.4	70.6	-174.4	-169.9	62.1	0	0	0	110.9	P38 V43 Q106	P38-L40 PolarHBondContact O-N 3.38Å; L40-V43 PolarHBondContact N-O 3.49Å; L40-Q106 HydrophobicContact CD2-CB 4.34Å
41	G	62.1	Low	66.8	Low	42 Å²	42	83.5 Å²	83.5	43%	0.433	47%	0.473	S	S	.	.	S	Bend	trans	68.3	-159.2	-154.7	0	0	0	0	0	109.8	V39 V43	V39-G41 VanDerWaalsContact C-N 3.29Å; V39-G41 CarbonylContact C-O 3.51Å; V39-G41 VanDerWaalsContact C-O 3.3Å; V39-G41 WeakPolarHBondContact CG1-O 3.14Å; V39-G41 PolarHBondContact O-N 2.88Å; G41-V43 PolarHBondContact O-N 3.27Å
42	D	80.5	Confident	69.5	Low	89 Å²	89	88.7 Å²	88.7	48%	0.476	48%	0.484	S	S	.	.	S	Bend	trans	-66.9	9.7	-171.6	-29.4	-63.1	0	0	0	115.8	P119 H121 L122	D42-P119 HydrophobicContact CB-CG 3.97Å; D42-P119 WeakPolarHBondContact O-CD 3.01Å; D42-P119 VanDerWaalsContact O-CG 3.23Å; D42-P119 WeakPolarHBondContact O-CG 3.45Å; D42-H121 IonicContact OD2-CD2 3.14Å; D42-H121 IonicContact OD2-CE1 3.35Å; D42-H121 IonicContact OD2-NE2 3.78Å; D42-H121 PolarHBondContact OD2-NE2 2.57Å; D42-L122 HydrophobicContact CB-CD1 3.9Å
43	V	89.9	Confident	72.2	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	48%	0.481	C	S	.	.			trans	-101.7	130.1	-179.1	-171.1	0	0	0	0	109.6	L40 G41 V45 K103 I116 I118 L122	L40-V43 PolarHBondContact N-O 3.49Å; G41-V43 PolarHBondContact O-N 3.27Å; V43-V45 HydrophobicContact CG1-CG2 4.18Å; V43-K103 HydrophobicContact CG2-CB 4.15Å; V43-K103 HydrophobicContact CG2-CD 3.97Å; V43-I116 HydrophobicContact CG1-CG2 3.36Å; V43-I118 HydrophobicContact CG1-CG1 4.33Å; V43-L122 HydrophobicContact CG2-CD1 3.51Å
44	V	93.1	Very high	75	Confident	54 Å²	54	82.8 Å²	82.8	33%	0.327	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.6	173.6	-173	0	0	0	0	108.9	I116 T117	V44-I116 WeakPolarHBondContact O-CA 3.25Å; V44-T117 PolarHBondContact N-O 3.08Å; V44-T117 VanDerWaalsContact N-O 3.14Å; V44-T117 PolarHBondContact O-N 2.79Å
45	V	94.4	Very high	77.6	Confident	8 Å²	8	85 Å²	85	5%	0.048	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	99.5	-173.4	-175.5	0	0	0	0	110.6	V43 R47 R114	V43-V45 HydrophobicContact CG1-CG2 4.18Å; V45-R47 HydrophobicContact CG1-CG 4.35Å; V45-R47 PolarHBondContact O-N 3.31Å; V45-R114 HydrophobicContact CG1-CG 4.4Å
46	D	94.3	Very high	80.4	Confident	53 Å²	53	81 Å²	81	28%	0.283	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	88	-176.5	-54.1	-47.7	0	0	0	110.3	S37 Y48 R114 K115	S37-D46 VanDerWaalsContact CB-OD1 3.25Å; S37-D46 WeakPolarHBondContact CB-OD1 3.32Å; S37-D46 PolarHBondContact OG-OD1 3.1Å; D46-Y48 PolarHBondContact O-N 2.85Å; D46-R114 VanDerWaalsContact O-CA 3.24Å; D46-R114 WeakPolarHBondContact O-CA 2.84Å; D46-R114 WeakPolarHBondContact O-CB 3.34Å; D46-K115 HydrophobicContact CB-CB 4.26Å; D46-K115 PolarHBondContact N-O 2.9Å; D46-K115 PolarHBondContact O-N 3.04Å
47	R	93.8	Very high	83	Confident	86 Å²	86	80.2 Å²	80.2	33%	0.325	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.7	174.9	-53	178	83.6	169.5	9.7	109.5	V45 I50 G107 E112 R114	V45-R47 HydrophobicContact CG1-CG 4.35Å; V45-R47 PolarHBondContact O-N 3.31Å; R47-I50 HydrophobicContact CB-CD1 3.81Å; R47-I50 HydrophobicContact CB-CG1 3.98Å; R47-G107 PolarHBondContact NH2-O 3.02Å; R47-E112 WeakPolarHBondContact CG-OE1 3.4Å; R47-E112 IonicContact CZ-OE1 2.84Å; R47-E112 IonicContact CZ-OE2 3.71Å; R47-E112 IonicContact NE-OE1 2.83Å; R47-E112 PolarHBondContact NE-OE1 3.08Å; R47-E112 IonicContact NE-OE2 3.47Å; R47-E112 VanDerWaalsContact NH2-CD 3.34Å; R47-E112 IonicContact NH2-OE1 3.27Å; R47-E112 PolarHBondContact NH2-OE1 2.9Å; R47-E112 IonicContact NH2-OE2 2.68Å; R47-E112 PolarHBondContact NH2-OE2 2.84Å; R47-R114 HydrophobicContact CB-CB 4.49Å; R47-R114 HydrophobicContact CG-CB 4.41Å
48	Y	94.6	Very high	85.5	Confident	115 Å²	115	78.5 Å²	78.5	45%	0.451	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-22.8	-176	69	-100.5	0	0	0	114.3	D46 R113 K115 D142	D46-Y48 PolarHBondContact O-N 2.85Å; Y48-R113 HydrophobicContact CD2-CB 4.39Å; Y48-R113 HydrophobicContact CE1-CB 4.01Å; Y48-R113 HydrophobicContact CE2-CB 3.64Å; Y48-R113 VanDerWaalsContact CZ-CB 3.43Å; Y48-R113 PolarHBondContact N-O 2.83Å; Y48-R113 VanDerWaalsContact N-O 3.16Å; Y48-R113 WeakPolarHBondContact OH-CB 3.4Å; Y48-K115 HydrophobicContact CD1-CG 4.49Å; Y48-K115 HydrophobicContact CE1-CG 4.11Å; Y48-D142 VanDerWaalsContact CE1-OD1 3.28Å; Y48-D142 WeakPolarHBondContact CE1-OD1 3.45Å; Y48-D142 PolarHBondContact OH-OD1 2.94Å; Y48-D142 PolarHBondContact OH-OD2 3.44Å
49	E	95.4	Very high	87.7	Confident	90 Å²	90	80 Å²	80	42%	0.421	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	100.1	173.2	-169	172.7	-175	0	0	107.7	E112 R113	E49-E112 CarbonylContact O-C 3.52Å; E49-E112 VanDerWaalsContact O-CA 3.28Å; E49-E112 WeakPolarHBondContact O-CA 3.13Å; E49-E112 WeakPolarHBondContact O-CG 3.4Å; E49-R113 HydrophobicContact CB-CB 3.9Å; E49-R113 HydrophobicContact CB-CG 4.19Å; E49-R113 PolarHBondContact N-O 2.96Å; E49-R113 VanDerWaalsContact N-O 3.12Å; E49-R113 PolarHBondContact O-N 3.35Å; E49-R113 WeakPolarHBondContact OE2-CD 3.31Å; E49-R113 WeakPolarHBondContact OE2-CG 3.44Å; E49-R113 IonicContact OE2-CZ 2.72Å; E49-R113 IonicContact OE2-NE 3.63Å; E49-R113 PolarHBondContact OE2-NE 3.12Å; E49-R113 IonicContact OE2-NH1 3.45Å
50	I	93.8	Very high	89.4	Confident	95 Å²	95	79.5 Å²	79.5	49%	0.487	41%	0.409	S	S	.	.			trans	-106.2	128.2	-178	-55.3	178.1	0	0	0	108.3	R47	R47-I50 HydrophobicContact CB-CD1 3.81Å; R47-I50 HydrophobicContact CB-CG1 3.98Å
51	P	93.9	Very high	91.2	Very high	29 Å²	29	77.5 Å²	77.5	19%	0.188	41%	0.408	C	S	.	.			trans	-65	146.8	176.5	30.5	-38.5	0	0	0	110.6	D53 C109 V110	P51-D53 VanDerWaalsContact C-N 3.32Å; P51-D53 PolarHBondContact O-N 3.35Å; P51-C109 HydrophobicContact CG-CB 3.43Å; P51-C109 VanDerWaalsContact CG-CB 3.43Å; P51-V110 WeakPolarHBondContact CG-O 3.28Å
52	K	90.6	Very high	92.9	Very high	204 Å²	204	75.6 Å²	75.6	89%	0.887	39%	0.388	S	S	*	.	S	Bend	trans	-63.9	-40.1	176.8	-65.9	179.3	-179.2	175.9	0	112.1
53	D	88.9	Confident	93.6	Very high	139 Å²	139	73.2 Å²	73.2	74%	0.743	37%	0.373	S	S	*	.			trans	-111.7	93.4	-174.8	-60.8	-69.9	0	0	0	110.1	P51 V55	P51-D53 VanDerWaalsContact C-N 3.32Å; P51-D53 PolarHBondContact O-N 3.35Å; D53-V55 PolarHBondContact O-N 2.83Å
54	C	91.6	Very high	94	Very high	53 Å²	53	73.2 Å²	73.2	36%	0.358	37%	0.373	S	S	.	.			trans	-93.7	89.2	173.7	-171.7	0	0	0	0	110.4	R56 C109	C54-R56 PolarHBondContact O-N 3.34Å; C54-C109 HydrophobicContact CB-CB 3.82Å; C54-C109 WeakPolarHBondContact CB-SG 3.05Å; C54-C109 WeakPolarHBondContact SG-CB 3.17Å; C54-C109 CovalentContact SG-SG 2.03Å; C54-C109 PolarHBondContact SG-SG 3.24Å
55	V	87.8	Confident	94.2	Very high	148 Å²	148	71.1 Å²	71.1	90%	0.897	36%	0.359	S	S	*	.	S	Bend	trans	-65.4	-28.6	-179.4	-177	0	0	0	0	112.2	D53	D53-V55 PolarHBondContact O-N 2.83Å
56	R	92.4	Very high	94.3	Very high	68 Å²	68	71.1 Å²	71.1	26%	0.257	36%	0.358	S	S	.	.			trans	-156	133.4	-179.2	177.8	-172.5	176.5	163.2	-2.8	109.6	C54 D62 L148 N150 D153	C54-R56 PolarHBondContact O-N 3.34Å; R56-D62 IonicContact CZ-OD1 3.32Å; R56-D62 IonicContact CZ-OD2 3.41Å; R56-D62 IonicContact NE-OD2 2.72Å; R56-D62 PolarHBondContact NE-OD2 3.01Å; R56-D62 IonicContact NH2-OD1 2.7Å; R56-D62 PolarHBondContact NH2-OD1 3.26Å; R56-D62 IonicContact NH2-OD2 3.42Å; R56-D62 PolarHBondContact NH2-OD2 3.12Å; R56-L148 HydrophobicContact CB-CD2 4.15Å; R56-L148 HydrophobicContact CG-CD2 3.67Å; R56-L148 HydrophobicContact CG-CG 4.43Å; R56-N150 PolarHBondContact NH2-ND2 3.23Å; R56-D153 IonicContact CZ-OD2 3.14Å; R56-D153 IonicContact NH1-OD1 3.42Å; R56-D153 PolarHBondContact NH1-OD1 2.85Å; R56-D153 IonicContact NH1-OD2 3.72Å; R56-D153 PolarHBondContact NH1-OD2 3.17Å; R56-D153 IonicContact NH2-OD1 2.66Å; R56-D153 IonicContact NH2-OD2 3.92Å; R56-D153 PolarHBondContact NH2-OD2 2.84Å
57	E	95.8	Very high	94.5	Very high	102 Å²	102	70.3 Å²	70.3	48%	0.477	35%	0.353	S	S	.	.			trans	-90.4	142.4	165.8	-71.7	-167.6	153.1	0	0	111.1
58	A	96.8	Very high	94.6	Very high	3 Å²	3	67.4 Å²	67.4	3%	0.025	34%	0.342	C	S	.	.			trans	-69.7	137.9	178.5	0	0	0	0	0	112.6	V64 I92 L105 Q106 G107 M108 L148	A58-V64 HydrophobicContact CB-CG1 4.15Å; A58-I92 HydrophobicContact CB-CD1 3.77Å; A58-L105 WeakPolarHBondContact CB-O 3.47Å; A58-Q106 CarbonylContact O-C 3.56Å; A58-Q106 WeakPolarHBondContact O-CA 3.41Å; A58-G107 PolarHBondContact O-N 2.73Å; A58-M108 HydrophobicContact CB-CB 4.26Å; A58-M108 WeakPolarHBondContact CB-O 3.43Å; A58-M108 PolarHBondContact N-O 2.73Å; A58-L148 HydrophobicContact CB-CD1 3.58Å; A58-L148 HydrophobicContact CB-CD2 4Å; A58-L148 HydrophobicContact CB-CG 4.47Å
59	K	96.1	Very high	94.8	Very high	116 Å²	116	64.9 Å²	64.9	50%	0.504	34%	0.336	S	S	.	.			trans	-144.6	168.5	-172.7	58.9	177.3	177.8	-174.5	0	112.1	G61 D62	K59-G61 PolarHBondContact O-N 3.2Å; K59-D62 WeakPolarHBondContact CE-OD1 3.01Å; K59-D62 HydrophobicContact CG-CB 4.49Å; K59-D62 WeakPolarHBondContact CG-OD2 3.21Å; K59-D62 VanDerWaalsContact O-CB 3.28Å; K59-D62 WeakPolarHBondContact O-CB 3.3Å; K59-D62 PolarHBondContact O-N 3.12Å
60	T	95.1	Very high	94.8	Very high	93 Å²	93	60.6 Å²	60.6	57%	0.571	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	128.6	170.7	-58.1	0	0	0	0	112.1
61	G	94.4	Very high	94.9	Very high	40 Å²	40	57.5 Å²	57.5	41%	0.412	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-7.4	-176.4	0	0	0	0	0	115.1	K59 L91 I92	K59-G61 PolarHBondContact O-N 3.2Å; G61-L91 VanDerWaalsContact C-CD1 3.48Å; G61-L91 WeakPolarHBondContact O-CD1 3.33Å; G61-I92 PolarHBondContact N-O 3.33Å
62	D	96.9	Very high	95	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.011	30%	0.298	C	S	.	.			trans	-86.9	136.4	172.1	-69.8	-3.6	0	0	0	111.3	R56 K59 L91 I92 L148 W149	R56-D62 IonicContact CZ-OD1 3.32Å; R56-D62 IonicContact CZ-OD2 3.41Å; R56-D62 IonicContact NE-OD2 2.72Å; R56-D62 PolarHBondContact NE-OD2 3.01Å; R56-D62 IonicContact NH2-OD1 2.7Å; R56-D62 PolarHBondContact NH2-OD1 3.26Å; R56-D62 IonicContact NH2-OD2 3.42Å; R56-D62 PolarHBondContact NH2-OD2 3.12Å; K59-D62 WeakPolarHBondContact CE-OD1 3.01Å; K59-D62 HydrophobicContact CG-CB 4.49Å; K59-D62 WeakPolarHBondContact CG-OD2 3.21Å; K59-D62 VanDerWaalsContact O-CB 3.28Å; K59-D62 WeakPolarHBondContact O-CB 3.3Å; K59-D62 PolarHBondContact O-N 3.12Å; D62-L91 WeakPolarHBondContact O-CD1 3.45Å; D62-I92 PolarHBondContact O-N 2.78Å; D62-L148 HydrophobicContact CB-CD1 3.65Å; D62-W149 CarbonylContact C-O 3.51Å
63	Y	96.9	Very high	95.1	Very high	40 Å²	40	52.6 Å²	52.6	16%	0.157	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	140	163.7	-71	-92.9	0	0	0	110.1	V89 G90 L91 L148 W149 K151	Y63-V89 HydrophobicContact CD1-CG1 4.39Å; Y63-G90 CarbonylContact C-O 3.55Å; Y63-G90 VanDerWaalsContact CA-O 3.3Å; Y63-G90 WeakPolarHBondContact CA-O 3.19Å; Y63-L91 HydrophobicContact CD1-CB 4.03Å; Y63-L91 HydrophobicContact CD1-CD1 4.4Å; Y63-L91 HydrophobicContact CD2-CD1 3.9Å; Y63-L91 HydrophobicContact CE1-CB 3.89Å; Y63-L91 HydrophobicContact CE1-CD1 4.43Å; Y63-L91 HydrophobicContact CE1-CD2 4.27Å; Y63-L91 HydrophobicContact CE1-CG 4.43Å; Y63-L91 HydrophobicContact CE2-CD1 3.93Å; Y63-L91 HydrophobicContact CE2-CD2 4.23Å; Y63-L91 HydrophobicContact CG-CD1 4.14Å; Y63-L148 WeakPolarHBondContact O-CA 3.06Å; Y63-W149 WeakPolarHBondContact CA-O 3.4Å; Y63-W149 HydrophobicContact CD1-CZ2 4.31Å; Y63-W149 HydrophobicContact CG-CZ2 4.02Å; Y63-W149 AromaticContact CG-NE1 3.96Å; Y63-W149 PolarHBondContact N-O 3.23Å; Y63-W149 PolarHBondContact O-N 3.03Å; Y63-K151 HydrophobicContact CE2-CD 4.07Å; Y63-K151 HydrophobicContact CE2-CG 4.02Å; Y63-K151 VanDerWaalsContact OH-CE 3.27Å; Y63-K151 WeakPolarHBondContact OH-CE 3.24Å; Y63-K151 PolarHBondContact OH-NZ 3.16Å
64	V	96.9	Very high	95.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.3	176.4	-77.4	0	0	0	0	111	A58 Y66 V89 G90 I92 L105 L145 D147 L148	A58-V64 HydrophobicContact CB-CG1 4.15Å; V64-Y66 HydrophobicContact CB-CD1 4.23Å; V64-Y66 HydrophobicContact CG2-CD1 3.83Å; V64-Y66 HydrophobicContact CG2-CE1 3.95Å; V64-V89 VanDerWaalsContact O-CA 3.29Å; V64-V89 WeakPolarHBondContact O-CA 3.48Å; V64-G90 PolarHBondContact N-O 3.25Å; V64-G90 PolarHBondContact O-N 3.36Å; V64-I92 HydrophobicContact CG1-CD1 3.88Å; V64-I92 HydrophobicContact CG2-CD1 4.22Å; V64-I92 HydrophobicContact CG2-CG1 4.1Å; V64-L105 HydrophobicContact CG2-CD1 4.19Å; V64-L145 HydrophobicContact CB-CD1 3.65Å; V64-L145 HydrophobicContact CG1-CD1 3.69Å; V64-L145 HydrophobicContact CG1-CD2 4.28Å; V64-D147 WeakPolarHBondContact CA-O 3.39Å; V64-L148 HydrophobicContact CG1-CD1 3.6Å
65	R	96.9	Very high	95	Very high	10 Å²	10	51.6 Å²	51.6	4%	0.038	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.3	168.7	178.1	179.8	61.2	84.8	0.5	107.5	A87 K88 V89 L146 D147 W149 D186	R65-A87 HydrophobicContact CG-CB 3.87Å; R65-K88 CarbonylContact C-O 3.54Å; R65-K88 WeakPolarHBondContact CA-O 3.18Å; R65-V89 HydrophobicContact CB-CG2 4.3Å; R65-V89 HydrophobicContact CG-CG2 4.36Å; R65-L146 HydrophobicContact CG-CD1 4.42Å; R65-L146 PolarHBondContact NH2-O 3.24Å; R65-L146 WeakPolarHBondContact O-CA 3.28Å; R65-L146 VanDerWaalsContact O-CB 3.28Å; R65-L146 WeakPolarHBondContact O-CB 3.49Å; R65-L146 PolarHBondContact O-N 2.8Å; R65-D147 HydrophobicContact CB-CB 3.6Å; R65-D147 HydrophobicContact CG-CB 4.45Å; R65-D147 IonicContact CZ-OD2 2.7Å; R65-D147 PolarHBondContact N-O 2.79Å; R65-D147 VanDerWaalsContact N-O 3.09Å; R65-D147 IonicContact NE-OD2 3.49Å; R65-D147 PolarHBondContact NE-OD2 2.61Å; R65-D147 IonicContact NH2-OD2 2.74Å; R65-D147 PolarHBondContact NH2-OD2 3.09Å; R65-D147 PolarHBondContact O-N 2.84Å; R65-W149 HydrophobicContact CB-CH2 4.2Å; R65-W149 HydrophobicContact CB-CZ3 3.89Å; R65-D186 IonicContact CZ-OD2 2.72Å; R65-D186 IonicContact NH1-OD2 3.97Å; R65-D186 PolarHBondContact NH1-OD2 3.11Å; R65-D186 IonicContact NH2-OD2 3.15Å; R65-D186 PolarHBondContact NH2-OD2 2.91Å
66	Y	97.4	Very high	95.2	Very high	8 Å²	8	50.9 Å²	50.9	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.9	-174.2	61.6	-89.5	0	0	0	112.5	V64 Y68 K88 L105 I143 H144	V64-Y66 HydrophobicContact CB-CD1 4.23Å; V64-Y66 HydrophobicContact CG2-CD1 3.83Å; V64-Y66 HydrophobicContact CG2-CE1 3.95Å; Y66-Y68 HydrophobicContact CD2-CD1 4.1Å; Y66-Y68 AromaticContact CE2-CD1 3.74Å; Y66-Y68 HydrophobicContact CE2-CD1 3.74Å; Y66-Y68 HydrophobicContact CE2-CG 4.25Å; Y66-K88 HydrophobicContact CD2-CB 4.33Å; Y66-K88 HydrophobicContact CE1-CB 4.33Å; Y66-K88 HydrophobicContact CE1-CG 4.08Å; Y66-K88 HydrophobicContact CE2-CB 3.99Å; Y66-K88 HydrophobicContact CE2-CG 4.11Å; Y66-K88 PolarHBondContact N-O 3.41Å; Y66-K88 PolarHBondContact O-N 2.79Å; Y66-L105 HydrophobicContact CD1-CD1 4.43Å; Y66-L105 HydrophobicContact CD1-CD2 4.27Å; Y66-L105 HydrophobicContact CE1-CD1 3.82Å; Y66-L105 HydrophobicContact CE1-CD2 4.41Å; Y66-L105 HydrophobicContact CG-CD2 4.49Å; Y66-I143 HydrophobicContact CD2-CD1 4.14Å; Y66-I143 HydrophobicContact CD2-CG2 3.75Å; Y66-I143 HydrophobicContact CE2-CD1 3.99Å; Y66-I143 HydrophobicContact CG-CG2 4.05Å; Y66-H144 CarbonylContact C-O 3.51Å; Y66-H144 WeakPolarHBondContact CA-O 3.33Å; Y66-H144 WeakPolarHBondContact CB-O 3.28Å
67	H	97.8	Very high	95.2	Very high	36 Å²	36	51 Å²	51	17%	0.167	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	147.5	160.1	-85	-63.7	0	0	0	109.8	S81 Y82 I143 H144	H67-S81 WeakPolarHBondContact CA-OG 3.46Å; H67-S81 WeakPolarHBondContact ND1-CB 3.28Å; H67-S81 PolarHBondContact ND1-OG 3.15Å; H67-Y82 HydrophobicContact CB-CD2 4.4Å; H67-Y82 HydrophobicContact CB-CE1 3.89Å; H67-Y82 HydrophobicContact CB-CE2 3.7Å; H67-Y82 VanDerWaalsContact CB-CZ 3.42Å; H67-Y82 WeakPolarHBondContact CB-OH 3.44Å; H67-Y82 AromaticContact CD2-CE1 3.8Å; H67-Y82 AromaticContact CG-CE1 3.64Å; H67-Y82 AromaticContact CG-CZ 3.74Å; H67-Y82 AromaticContact ND1-CD1 3.91Å; H67-Y82 AromaticContact ND1-CE1 3.98Å; H67-I143 WeakPolarHBondContact O-CA 3.47Å; H67-H144 PolarHBondContact N-O 2.89Å; H67-H144 PolarHBondContact O-N 2.98Å
68	Y	97.3	Very high	95	Very high	25 Å²	25	48 Å²	48	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.9	171.3	70.9	-81	0	0	0	112	Y66 A70 D79 S81 K88 F141 D142	Y66-Y68 HydrophobicContact CD2-CD1 4.1Å; Y66-Y68 AromaticContact CE2-CD1 3.74Å; Y66-Y68 HydrophobicContact CE2-CD1 3.74Å; Y66-Y68 HydrophobicContact CE2-CG 4.25Å; Y68-A70 HydrophobicContact CD2-CB 4.1Å; Y68-A70 HydrophobicContact CE2-CB 4.17Å; Y68-D79 HydrophobicContact CE2-CB 4.25Å; Y68-D79 PolarHBondContact OH-OD2 2.82Å; Y68-D79 VanDerWaalsContact OH-OD2 3.1Å; Y68-S81 PolarHBondContact N-OG 3.15Å; Y68-S81 PolarHBondContact O-N 3.39Å; Y68-S81 PolarHBondContact O-OG 2.98Å; Y68-K88 HydrophobicContact CD1-CB 4.11Å; Y68-K88 HydrophobicContact CE1-CB 3.88Å; Y68-K88 HydrophobicContact CE1-CG 4.39Å; Y68-F141 AromaticContact CD2-CD1 3.84Å; Y68-F141 HydrophobicContact CD2-CD1 3.84Å; Y68-F141 AromaticContact CD2-CE1 3.9Å; Y68-F141 HydrophobicContact CD2-CE1 3.9Å; Y68-F141 HydrophobicContact CE2-CE1 4.18Å; Y68-F141 HydrophobicContact CG-CD1 4.32Å; Y68-D142 CarbonylContact C-O 3.43Å; Y68-D142 WeakPolarHBondContact CA-O 3.24Å
69	N	97.2	Very high	94.8	Very high	61 Å²	61	50 Å²	50	33%	0.326	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.5	155.4	-72.9	-32.2	0	0	0	108.1	S80 Y82 F141 D142	N69-S80 WeakPolarHBondContact OD1-CB 3.23Å; N69-S80 PolarHBondContact OD1-OG 2.9Å; N69-Y82 WeakPolarHBondContact OD1-CD2 3.28Å; N69-F141 WeakPolarHBondContact O-CA 3.48Å; N69-D142 PolarHBondContact N-O 3.34Å; N69-D142 PolarHBondContact O-N 2.98Å
70	A	96.1	Very high	94.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.5	173.9	0	0	0	0	0	109.5	Y68 L78 D79 F141	Y68-A70 HydrophobicContact CD2-CB 4.1Å; Y68-A70 HydrophobicContact CE2-CB 4.17Å; A70-L78 HydrophobicContact CB-CB 4.23Å; A70-L78 HydrophobicContact CB-CD2 4.39Å; A70-L78 PolarHBondContact O-N 3.14Å; A70-D79 HydrophobicContact CB-CB 4.29Å; A70-D79 PolarHBondContact N-O 2.94Å; A70-D79 PolarHBondContact O-N 2.84Å; A70-F141 HydrophobicContact CB-CD1 3.92Å; A70-F141 HydrophobicContact CB-CE1 3.61Å; A70-F141 HydrophobicContact CB-CE2 4.28Å; A70-F141 HydrophobicContact CB-CG 4.38Å; A70-F141 HydrophobicContact CB-CZ 3.8Å
71	T	96.4	Very high	94.9	Very high	30 Å²	30	40.3 Å²	40.3	18%	0.184	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.3	-176.5	50.7	0	0	0	0	110.9	K76 V140	T71-K76 CarbonylContact C-O 3.6Å; T71-K76 VanDerWaalsContact CA-O 3.28Å; T71-K76 WeakPolarHBondContact CA-O 3.35Å; T71-V140 PolarHBondContact N-O 3.4Å; T71-V140 PolarHBondContact O-N 2.91Å; T71-V140 PolarHBondContact OG1-O 2.8Å
72	F	94.7	Very high	94.9	Very high	23 Å²	23	43.3 Å²	43.3	10%	0.101	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	169.4	162.7	-63.9	-77.5	0	0	0	110.7	D74 G75 K76 L78 V133 A137 L139	F72-D74 WeakPolarHBondContact CB-OD1 3.14Å; F72-D74 PolarHBondContact O-N 2.62Å; F72-G75 PolarHBondContact O-N 3.48Å; F72-K76 HydrophobicContact CD2-CB 4.17Å; F72-K76 HydrophobicContact CD2-CD 4.25Å; F72-K76 HydrophobicContact CD2-CG 4.34Å; F72-K76 PolarHBondContact N-O 3.32Å; F72-L78 HydrophobicContact CE2-CB 4.14Å; F72-L78 HydrophobicContact CE2-CD1 4.17Å; F72-L78 HydrophobicContact CZ-CD1 4.02Å; F72-V133 HydrophobicContact CE1-CG1 4.26Å; F72-A137 HydrophobicContact CD1-CB 4.29Å; F72-A137 HydrophobicContact CE1-CB 4Å; F72-L139 HydrophobicContact CD1-CD2 3.86Å; F72-L139 HydrophobicContact CE1-CD2 3.74Å
73	T	92.8	Very high	94.7	Very high	106 Å²	106	50.4 Å²	50.4	65%	0.65	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13	179	50.2	0	0	0	0	114.6	G75 T138 V140	T73-G75 VanDerWaalsContact C-N 3.32Å; T73-T138 HydrophobicContact CG2-CG2 3.76Å; T73-V140 HydrophobicContact CG2-CG2 4.18Å
74	D	90.1	Very high	94.5	Very high	120 Å²	120	54.6 Å²	54.6	64%	0.642	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-2.3	169.8	67.8	-1.5	0	0	0	113.4	F72 K76	F72-D74 WeakPolarHBondContact CB-OD1 3.14Å; F72-D74 PolarHBondContact O-N 2.62Å; D74-K76 WeakPolarHBondContact OD1-CB 3.47Å; D74-K76 PolarHBondContact OD1-N 2.91Å
75	G	89.8	Confident	94.2	Very high	51 Å²	51	58 Å²	58	53%	0.526	32%	0.317	S	S	.	.			trans	85.8	-0.8	-177.3	0	0	0	0	0	115.1	F72 T73 T77	F72-G75 PolarHBondContact O-N 3.48Å; T73-G75 VanDerWaalsContact C-N 3.32Å; G75-T77 PolarHBondContact O-N 2.82Å
76	K	91.9	Very high	93.9	Very high	133 Å²	133	60.3 Å²	60.3	58%	0.578	34%	0.338	S	S	*	.			trans	-66.2	125.9	176.5	-179.9	-174	172.9	-167.9	0	110.5	T71 F72 D74 L78	T71-K76 CarbonylContact C-O 3.6Å; T71-K76 VanDerWaalsContact CA-O 3.28Å; T71-K76 WeakPolarHBondContact CA-O 3.35Å; F72-K76 HydrophobicContact CD2-CB 4.17Å; F72-K76 HydrophobicContact CD2-CD 4.25Å; F72-K76 HydrophobicContact CD2-CG 4.34Å; F72-K76 PolarHBondContact N-O 3.32Å; D74-K76 WeakPolarHBondContact OD1-CB 3.47Å; D74-K76 PolarHBondContact OD1-N 2.91Å; K76-L78 PolarHBondContact O-N 3.07Å
77	T	91.7	Very high	93.8	Very high	71 Å²	71	61.5 Å²	61.5	44%	0.436	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	133.5	175.2	-46.6	0	0	0	0	111.5	G75	G75-T77 PolarHBondContact O-N 2.82Å
78	L	92.1	Very high	93.7	Very high	38 Å²	38	64.3 Å²	64.3	20%	0.199	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-48.9	171.4	171.5	62	0	0	0	110.9	A70 F72 K76 V132 V133 L139	A70-L78 HydrophobicContact CB-CB 4.23Å; A70-L78 HydrophobicContact CB-CD2 4.39Å; A70-L78 PolarHBondContact O-N 3.14Å; F72-L78 HydrophobicContact CE2-CB 4.14Å; F72-L78 HydrophobicContact CE2-CD1 4.17Å; F72-L78 HydrophobicContact CZ-CD1 4.02Å; K76-L78 PolarHBondContact O-N 3.07Å; L78-V132 HydrophobicContact CD1-CG1 3.7Å; L78-V133 HydrophobicContact CD1-CG2 3.59Å; L78-V133 HydrophobicContact CD2-CG2 3.75Å; L78-V133 HydrophobicContact CG-CG2 4.33Å; L78-L139 HydrophobicContact CD2-CD1 4.01Å; L78-L139 HydrophobicContact CD2-CD2 3.86Å
79	D	93	Very high	93.6	Very high	47 Å²	47	65.2 Å²	65.2	25%	0.251	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	149.7	-176.5	-166.6	1.5	0	0	0	110.5	Y68 A70 K84	Y68-D79 HydrophobicContact CE2-CB 4.25Å; Y68-D79 PolarHBondContact OH-OD2 2.82Å; Y68-D79 VanDerWaalsContact OH-OD2 3.1Å; A70-D79 HydrophobicContact CB-CB 4.29Å; A70-D79 PolarHBondContact N-O 2.94Å; A70-D79 PolarHBondContact O-N 2.84Å; D79-K84 WeakPolarHBondContact OD1-CE 3.46Å; D79-K84 IonicContact OD1-NZ 3.02Å; D79-K84 PolarHBondContact OD1-NZ 3.27Å; D79-K84 IonicContact OD2-NZ 2.76Å; D79-K84 PolarHBondContact OD2-NZ 2.91Å
80	S	95.6	Very high	93.5	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.014	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.3	176.5	179.8	0	0	0	0	112.6	N69 Y82 E83 K84	N69-S80 WeakPolarHBondContact OD1-CB 3.23Å; N69-S80 PolarHBondContact OD1-OG 2.9Å; S80-Y82 VanDerWaalsContact C-N 3.27Å; S80-Y82 PolarHBondContact O-N 2.78Å; S80-Y82 PolarHBondContact OG-N 3.27Å; S80-E83 PolarHBondContact OG-N 2.91Å; S80-K84 WeakPolarHBondContact O-CD 3.22Å; S80-K84 WeakPolarHBondContact O-CG 3.43Å; S80-K84 PolarHBondContact O-N 3.3Å
81	S	96.3	Very high	93.5	Very high	2 Å²	2	64 Å²	64	1%	0.014	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.3	167.7	63.6	0	0	0	0	113.6	H67 Y68 G85 A86	H67-S81 WeakPolarHBondContact CA-OG 3.46Å; H67-S81 WeakPolarHBondContact ND1-CB 3.28Å; H67-S81 PolarHBondContact ND1-OG 3.15Å; Y68-S81 PolarHBondContact N-OG 3.15Å; Y68-S81 PolarHBondContact O-N 3.39Å; Y68-S81 PolarHBondContact O-OG 2.98Å; S81-G85 PolarHBondContact O-N 2.96Å; S81-A86 WeakPolarHBondContact CB-O 3.35Å; S81-A86 PolarHBondContact O-N 2.83Å; S81-A86 VanDerWaalsContact O-N 3.08Å
82	Y	94.2	Very high	93.5	Very high	104 Å²	104	62.6 Å²	62.6	41%	0.408	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-43.9	179.2	-65.5	-81.5	0	0	0	110.6	H67 N69 S80 K84 G85	H67-Y82 HydrophobicContact CB-CD2 4.4Å; H67-Y82 HydrophobicContact CB-CE1 3.89Å; H67-Y82 HydrophobicContact CB-CE2 3.7Å; H67-Y82 VanDerWaalsContact CB-CZ 3.42Å; H67-Y82 WeakPolarHBondContact CB-OH 3.44Å; H67-Y82 AromaticContact CD2-CE1 3.8Å; H67-Y82 AromaticContact CG-CE1 3.64Å; H67-Y82 AromaticContact CG-CZ 3.74Å; H67-Y82 AromaticContact ND1-CD1 3.91Å; H67-Y82 AromaticContact ND1-CE1 3.98Å; N69-Y82 WeakPolarHBondContact OD1-CD2 3.28Å; S80-Y82 VanDerWaalsContact C-N 3.27Å; S80-Y82 PolarHBondContact O-N 2.78Å; S80-Y82 PolarHBondContact OG-N 3.27Å; Y82-K84 PolarHBondContact O-N 2.63Å; Y82-G85 PolarHBondContact O-N 3.36Å
83	E	93.8	Very high	93.3	Very high	150 Å²	150	63.5 Å²	63.5	70%	0.701	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.7	173.3	-64.8	170.9	-176.8	0	0	111.9	S80 G85	S80-E83 PolarHBondContact OG-N 2.91Å; E83-G85 VanDerWaalsContact C-N 3.28Å; E83-G85 PolarHBondContact O-N 2.9Å
84	K	92.9	Very high	93.2	Very high	129 Å²	129	62.6 Å²	62.6	56%	0.561	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.5	172.7	-71.9	170.8	175.2	172.4	0	114.3	D79 S80 Y82 A86	D79-K84 WeakPolarHBondContact OD1-CE 3.46Å; D79-K84 IonicContact OD1-NZ 3.02Å; D79-K84 PolarHBondContact OD1-NZ 3.27Å; D79-K84 IonicContact OD2-NZ 2.76Å; D79-K84 PolarHBondContact OD2-NZ 2.91Å; S80-K84 WeakPolarHBondContact O-CD 3.22Å; S80-K84 WeakPolarHBondContact O-CG 3.43Å; S80-K84 PolarHBondContact O-N 3.3Å; Y82-K84 PolarHBondContact O-N 2.63Å; K84-A86 PolarHBondContact O-N 3.02Å
85	G	90.1	Very high	93.1	Very high	70 Å²	70	59.8 Å²	59.8	72%	0.722	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	15.6	-179.6	0	0	0	0	0	115.5	S81 Y82 E83	S81-G85 PolarHBondContact O-N 2.96Å; Y82-G85 PolarHBondContact O-N 3.36Å; E83-G85 VanDerWaalsContact C-N 3.28Å; E83-G85 PolarHBondContact O-N 2.9Å
86	A	91.6	Very high	93.2	Very high	59 Å²	59	66.6 Å²	66.6	49%	0.488	37%	0.37	S	S	.	.	S	Bend	trans	-148.3	128.4	-172.1	0	0	0	0	0	112.5	S81 K84	S81-A86 WeakPolarHBondContact CB-O 3.35Å; S81-A86 PolarHBondContact O-N 2.83Å; S81-A86 VanDerWaalsContact O-N 3.08Å; K84-A86 PolarHBondContact O-N 3.02Å
87	A	94.9	Very high	93.2	Very high	33 Å²	33	61.4 Å²	61.4	27%	0.273	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.8	146	172.7	0	0	0	0	0	111.5	R65 L146	R65-A87 HydrophobicContact CG-CB 3.87Å; A87-L146 HydrophobicContact CB-CD1 3.69Å
88	K	95.6	Very high	93.3	Very high	95 Å²	95	59.9 Å²	59.9	41%	0.413	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.8	176.2	-179.3	63.3	178.2	-177.1	0	109.9	R65 Y66 Y68	R65-K88 CarbonylContact C-O 3.54Å; R65-K88 WeakPolarHBondContact CA-O 3.18Å; Y66-K88 HydrophobicContact CD2-CB 4.33Å; Y66-K88 HydrophobicContact CE1-CB 4.33Å; Y66-K88 HydrophobicContact CE1-CG 4.08Å; Y66-K88 HydrophobicContact CE2-CB 3.99Å; Y66-K88 HydrophobicContact CE2-CG 4.11Å; Y66-K88 PolarHBondContact N-O 3.41Å; Y66-K88 PolarHBondContact O-N 2.79Å; Y68-K88 HydrophobicContact CD1-CB 4.11Å; Y68-K88 HydrophobicContact CE1-CB 3.88Å; Y68-K88 HydrophobicContact CE1-CG 4.39Å
89	V	95.5	Very high	93.4	Very high	45 Å²	45	60.4 Å²	60.4	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139	163.8	-180	0	0	0	0	109.6	Y63 V64 R65 W149 Q248	Y63-V89 HydrophobicContact CD1-CG1 4.39Å; V64-V89 VanDerWaalsContact O-CA 3.29Å; V64-V89 WeakPolarHBondContact O-CA 3.48Å; R65-V89 HydrophobicContact CB-CG2 4.3Å; R65-V89 HydrophobicContact CG-CG2 4.36Å; V89-W149 HydrophobicContact CG1-CH2 3.88Å; V89-W149 HydrophobicContact CG1-CZ2 4.14Å; V89-W149 HydrophobicContact CG2-CH2 4.39Å; V89-Q248 HydrophobicContact CG2-CB 4.43Å
90	G	94.1	Very high	93.4	Very high	8 Å²	8	58.1 Å²	58.1	8%	0.082	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.4	175.2	0	0	0	0	0	112	Y63 V64	Y63-G90 CarbonylContact C-O 3.55Å; Y63-G90 VanDerWaalsContact CA-O 3.3Å; Y63-G90 WeakPolarHBondContact CA-O 3.19Å; V64-G90 PolarHBondContact N-O 3.25Å; V64-G90 PolarHBondContact O-N 3.36Å
91	L	95.9	Very high	93.4	Very high	27 Å²	27	58.2 Å²	58.2	14%	0.141	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.2	173.1	176.4	56.1	0	0	0	108.7	G61 D62 Y63 E94	G61-L91 VanDerWaalsContact C-CD1 3.48Å; G61-L91 WeakPolarHBondContact O-CD1 3.33Å; D62-L91 WeakPolarHBondContact O-CD1 3.45Å; Y63-L91 HydrophobicContact CD1-CB 4.03Å; Y63-L91 HydrophobicContact CD1-CD1 4.4Å; Y63-L91 HydrophobicContact CD2-CD1 3.9Å; Y63-L91 HydrophobicContact CE1-CB 3.89Å; Y63-L91 HydrophobicContact CE1-CD1 4.43Å; Y63-L91 HydrophobicContact CE1-CD2 4.27Å; Y63-L91 HydrophobicContact CE1-CG 4.43Å; Y63-L91 HydrophobicContact CE2-CD1 3.93Å; Y63-L91 HydrophobicContact CE2-CD2 4.23Å; Y63-L91 HydrophobicContact CG-CD1 4.14Å; L91-E94 HydrophobicContact CB-CB 4.47Å; L91-E94 HydrophobicContact CD2-CB 4.13Å; L91-E94 HydrophobicContact CD2-CG 4.22Å; L91-E94 HydrophobicContact CG-CB 4.12Å
92	I	96.1	Very high	93.4	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	132.5	-176.6	-61.2	176.7	0	0	0	110.2	A58 G61 D62 V64 D102 L105 Q106	A58-I92 HydrophobicContact CB-CD1 3.77Å; G61-I92 PolarHBondContact N-O 3.33Å; D62-I92 PolarHBondContact O-N 2.78Å; V64-I92 HydrophobicContact CG1-CD1 3.88Å; V64-I92 HydrophobicContact CG2-CD1 4.22Å; V64-I92 HydrophobicContact CG2-CG1 4.1Å; I92-D102 WeakPolarHBondContact CG2-OD1 3.04Å; I92-L105 HydrophobicContact CD1-CB 3.92Å; I92-L105 HydrophobicContact CG1-CB 4.29Å; I92-Q106 HydrophobicContact CG2-CG 3.58Å
93	G	91.9	Very high	93.4	Very high	43 Å²	43	56.9 Å²	56.9	44%	0.443	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	5.9	176.3	0	0	0	0	0	115.6	D102	G93-D102 WeakPolarHBondContact CA-OD1 3.44Å; G93-D102 VanDerWaalsContact N-CG 3.32Å; G93-D102 PolarHBondContact N-OD1 2.75Å; G93-D102 PolarHBondContact N-OD2 2.8Å; G93-D102 VanDerWaalsContact N-OD2 3.14Å
94	E	90.9	Very high	93.4	Very high	87 Å²	87	49.7 Å²	49.7	41%	0.407	30%	0.298	S	S	.	.	S	Bend	trans	-88.3	-4.7	174	-146.7	-157.3	162.5	0	0	113	L91 R96	L91-E94 HydrophobicContact CB-CB 4.47Å; L91-E94 HydrophobicContact CD2-CB 4.13Å; L91-E94 HydrophobicContact CD2-CG 4.22Å; L91-E94 HydrophobicContact CG-CB 4.12Å; E94-R96 HydrophobicContact CB-CG 4.38Å; E94-R96 PolarHBondContact O-N 2.66Å; E94-R96 IonicContact OE1-CZ 3.57Å; E94-R96 IonicContact OE1-NE 3.01Å; E94-R96 PolarHBondContact OE1-NE 2.97Å; E94-R96 IonicContact OE1-NH2 3.14Å; E94-R96 PolarHBondContact OE1-NH2 3.04Å; E94-R96 VanDerWaalsContact OE2-CD 3.25Å; E94-R96 WeakPolarHBondContact OE2-CD 3.48Å; E94-R96 IonicContact OE2-CZ 2.77Å; E94-R96 IonicContact OE2-NE 3.39Å; E94-R96 PolarHBondContact OE2-NE 3.49Å; E94-R96 IonicContact OE2-NH2 3.9Å
95	G	88.3	Confident	93.6	Very high	61 Å²	61	43.6 Å²	43.6	63%	0.629	27%	0.272	S	S	*	.	S	Bend	trans	69.7	11.2	-178.5	0	0	0	0	0	114.8	L97	G95-L97 VanDerWaalsContact C-N 3.34Å
96	R	89.8	Confident	93.8	Very high	193 Å²	193	43.1 Å²	43.1	73%	0.728	25%	0.251	S	S	*	.			trans	-85.3	-6.2	173.8	-60.5	-164	-165.9	-166.5	14.4	113.9	E94	E94-R96 HydrophobicContact CB-CG 4.38Å; E94-R96 PolarHBondContact O-N 2.66Å; E94-R96 IonicContact OE1-CZ 3.57Å; E94-R96 IonicContact OE1-NE 3.01Å; E94-R96 PolarHBondContact OE1-NE 2.97Å; E94-R96 IonicContact OE1-NH2 3.14Å; E94-R96 PolarHBondContact OE1-NH2 3.04Å; E94-R96 VanDerWaalsContact OE2-CD 3.25Å; E94-R96 WeakPolarHBondContact OE2-CD 3.48Å; E94-R96 IonicContact OE2-CZ 2.77Å; E94-R96 IonicContact OE2-NE 3.39Å; E94-R96 PolarHBondContact OE2-NE 3.49Å; E94-R96 IonicContact OE2-NH2 3.9Å
97	L	92.3	Very high	94	Very high	24 Å²	24	41.2 Å²	41.2	13%	0.126	24%	0.236	C	C	.	.	S	Bend	trans	-102.8	163.3	172	-63.5	178.3	0	0	0	109.5	G95 A99 D102 L105	G95-L97 VanDerWaalsContact C-N 3.34Å; L97-A99 PolarHBondContact O-N 3.26Å; L97-D102 HydrophobicContact CB-CB 4.13Å; L97-L105 HydrophobicContact CD1-CD1 3.72Å
98	I	93.8	Very high	94	Very high	39 Å²	39	39.6 Å²	39.6	20%	0.2	22%	0.223	C	C	.	.			trans	-56.3	130.5	167.1	-67.1	169.5	0	0	0	107.8	G100 V101 D102 I118 L122 A123 Y124 F141	I98-G100 PolarHBondContact O-N 2.7Å; I98-G100 VanDerWaalsContact O-N 3.11Å; I98-V101 HydrophobicContact CB-CB 4.21Å; I98-V101 HydrophobicContact CB-CG2 3.9Å; I98-V101 HydrophobicContact CG2-CG2 4.22Å; I98-V101 CarbonylContact O-C 3.53Å; I98-V101 WeakPolarHBondContact O-CA 3.48Å; I98-V101 WeakPolarHBondContact O-CB 3.46Å; I98-V101 PolarHBondContact O-N 2.84Å; I98-D102 PolarHBondContact O-N 3.48Å; I98-I118 HydrophobicContact CG2-CD1 4.39Å; I98-L122 WeakPolarHBondContact CG2-O 3.28Å; I98-A123 HydrophobicContact CG2-CB 4.5Å; I98-Y124 HydrophobicContact CD1-CE2 4.01Å; I98-F141 HydrophobicContact CD1-CE2 4.29Å; I98-F141 HydrophobicContact CD1-CZ 3.73Å
99	A	94	Very high	94.1	Very high	49 Å²	49	35.1 Å²	35.1	41%	0.405	20%	0.204	S	C	.	.	H	α-helix	trans	-58.3	-33	-168.1	0	0	0	0	0	113.8	L97 K103 L122	L97-A99 PolarHBondContact O-N 3.26Å; A99-K103 WeakPolarHBondContact O-CG 3.28Å; A99-K103 PolarHBondContact O-N 3.49Å; A99-K103 VanDerWaalsContact O-N 3.13Å; A99-L122 HydrophobicContact CB-CD2 4.29Å; A99-L122 PolarHBondContact N-O 3.37Å
100	G	94.5	Very high	94.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-73.4	-30.9	172.9	0	0	0	0	0	114.5	I98 G104 L122	I98-G100 PolarHBondContact O-N 2.7Å; I98-G100 VanDerWaalsContact O-N 3.11Å; G100-G104 WeakPolarHBondContact O-CA 3.24Å; G100-G104 PolarHBondContact O-N 3.03Å; G100-L122 PolarHBondContact N-O 2.82Å
101	V	95.7	Very high	94.3	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-71.4	-42	172.6	177.9	0	0	0	0	109.7	I98 G104 L105 I118 F141 I143	I98-V101 HydrophobicContact CB-CB 4.21Å; I98-V101 HydrophobicContact CB-CG2 3.9Å; I98-V101 HydrophobicContact CG2-CG2 4.22Å; I98-V101 CarbonylContact O-C 3.53Å; I98-V101 WeakPolarHBondContact O-CA 3.48Å; I98-V101 WeakPolarHBondContact O-CB 3.46Å; I98-V101 PolarHBondContact O-N 2.84Å; V101-G104 CarbonylContact O-C 3.48Å; V101-G104 PolarHBondContact O-N 3.34Å; V101-L105 HydrophobicContact CG1-CD1 3.67Å; V101-L105 HydrophobicContact CG1-CG 4.17Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 WeakPolarHBondContact O-CD1 3.33Å; V101-L105 VanDerWaalsContact O-CG 3.23Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 2.71Å; V101-I118 HydrophobicContact CB-CD1 4.37Å; V101-I118 HydrophobicContact CG2-CD1 3.44Å; V101-I118 VanDerWaalsContact CG2-CD1 3.44Å; V101-F141 HydrophobicContact CG2-CD1 4Å; V101-F141 HydrophobicContact CG2-CD2 3.92Å; V101-F141 HydrophobicContact CG2-CE1 4.01Å; V101-F141 HydrophobicContact CG2-CE2 3.94Å; V101-F141 HydrophobicContact CG2-CG 3.96Å; V101-F141 HydrophobicContact CG2-CZ 3.99Å; V101-I143 HydrophobicContact CG1-CD1 4.16Å
102	D	95.2	Very high	94.3	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-50.5	176.8	-161.1	-32.8	0	0	0	111.4	I92 G93 L97 I98 Q106	I92-D102 WeakPolarHBondContact CG2-OD1 3.04Å; G93-D102 WeakPolarHBondContact CA-OD1 3.44Å; G93-D102 VanDerWaalsContact N-CG 3.32Å; G93-D102 PolarHBondContact N-OD1 2.75Å; G93-D102 PolarHBondContact N-OD2 2.8Å; G93-D102 VanDerWaalsContact N-OD2 3.14Å; L97-D102 HydrophobicContact CB-CB 4.13Å; I98-D102 PolarHBondContact O-N 3.48Å; D102-Q106 PolarHBondContact O-NE2 3.19Å
103	K	94.1	Very high	94.4	Very high	66 Å²	66	39.2 Å²	39.2	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-50.5	170.7	-72.1	176	179.5	-179.7	0	111.9	V43 A99 L105 Q106 L122	V43-K103 HydrophobicContact CG2-CB 4.15Å; V43-K103 HydrophobicContact CG2-CD 3.97Å; A99-K103 WeakPolarHBondContact O-CG 3.28Å; A99-K103 PolarHBondContact O-N 3.49Å; A99-K103 VanDerWaalsContact O-N 3.13Å; K103-L105 PolarHBondContact O-N 2.76Å; K103-Q106 WeakPolarHBondContact O-CB 3.34Å; K103-Q106 PolarHBondContact O-N 2.83Å; K103-Q106 VanDerWaalsContact O-N 3.08Å; K103-L122 HydrophobicContact CD-CD1 4.14Å
104	G	94.8	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69	-10	-175.2	0	0	0	0	0	115.4	G100 V101 R114 I116	G100-G104 WeakPolarHBondContact O-CA 3.24Å; G100-G104 PolarHBondContact O-N 3.03Å; V101-G104 CarbonylContact O-C 3.48Å; V101-G104 PolarHBondContact O-N 3.34Å; G104-R114 VanDerWaalsContact O-CZ 3.31Å; G104-R114 PolarHBondContact O-NE 3.13Å; G104-R114 PolarHBondContact O-NH2 2.86Å; G104-I116 VanDerWaalsContact O-CD1 3.26Å; G104-I116 WeakPolarHBondContact O-CD1 3.26Å
105	L	96.1	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.7	171.5	-76.5	165.6	0	0	0	113.3	A58 V64 Y66 I92 L97 V101 K103 M108 I143	A58-L105 WeakPolarHBondContact CB-O 3.47Å; V64-L105 HydrophobicContact CG2-CD1 4.19Å; Y66-L105 HydrophobicContact CD1-CD1 4.43Å; Y66-L105 HydrophobicContact CD1-CD2 4.27Å; Y66-L105 HydrophobicContact CE1-CD1 3.82Å; Y66-L105 HydrophobicContact CE1-CD2 4.41Å; Y66-L105 HydrophobicContact CG-CD2 4.49Å; I92-L105 HydrophobicContact CD1-CB 3.92Å; I92-L105 HydrophobicContact CG1-CB 4.29Å; L97-L105 HydrophobicContact CD1-CD1 3.72Å; V101-L105 HydrophobicContact CG1-CD1 3.67Å; V101-L105 HydrophobicContact CG1-CG 4.17Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 WeakPolarHBondContact O-CD1 3.33Å; V101-L105 VanDerWaalsContact O-CG 3.23Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 2.71Å; K103-L105 PolarHBondContact O-N 2.76Å; L105-M108 HydrophobicContact CD2-SD 4.01Å; L105-M108 VanDerWaalsContact O-CB 3.28Å; L105-M108 WeakPolarHBondContact O-CB 3.44Å; L105-I143 HydrophobicContact CD2-CD1 4.13Å; L105-I143 HydrophobicContact CD2-CG2 4.14Å
106	Q	95	Very high	95.3	Very high	61 Å²	61	34.6 Å²	34.6	29%	0.285	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	140.5	178.1	-66.2	169.3	38.8	0	0	110.8	L40 A58 I92 D102 K103 R114	L40-Q106 HydrophobicContact CD2-CB 4.34Å; A58-Q106 CarbonylContact O-C 3.56Å; A58-Q106 WeakPolarHBondContact O-CA 3.41Å; I92-Q106 HydrophobicContact CG2-CG 3.58Å; D102-Q106 PolarHBondContact O-NE2 3.19Å; K103-Q106 WeakPolarHBondContact O-CB 3.34Å; K103-Q106 PolarHBondContact O-N 2.83Å; K103-Q106 VanDerWaalsContact O-N 3.08Å; Q106-R114 PolarHBondContact O-NH2 2.82Å
107	G	94.6	Very high	95.6	Very high	18 Å²	18	27.1 Å²	27.1	19%	0.186	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	30	-172.6	0	0	0	0	0	113.2	R47 A58 R114	R47-G107 PolarHBondContact NH2-O 3.02Å; A58-G107 PolarHBondContact O-N 2.73Å; G107-R114 PolarHBondContact O-NH1 3.33Å
108	M	96.6	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-101.8	135.5	176.7	-158.7	160.8	-174.4	0	0	111.8	A58 L105 E112 R114 I143 L145	A58-M108 HydrophobicContact CB-CB 4.26Å; A58-M108 WeakPolarHBondContact CB-O 3.43Å; A58-M108 PolarHBondContact N-O 2.73Å; L105-M108 HydrophobicContact CD2-SD 4.01Å; L105-M108 VanDerWaalsContact O-CB 3.28Å; L105-M108 WeakPolarHBondContact O-CB 3.44Å; M108-E112 WeakPolarHBondContact CA-OE2 3.2Å; M108-E112 HydrophobicContact CE-CB 3.96Å; M108-E112 HydrophobicContact CE-CG 4.2Å; M108-E112 WeakPolarHBondContact CE-O 3.38Å; M108-E112 HydrophobicContact CG-CB 4.04Å; M108-E112 HydrophobicContact CG-CG 4.35Å; M108-R114 HydrophobicContact CE-CG 3.92Å; M108-R114 HydrophobicContact SD-CG 4.3Å; M108-I143 HydrophobicContact CE-CB 4.42Å; M108-I143 HydrophobicContact CE-CG2 4Å; M108-I143 HydrophobicContact SD-CG2 4.18Å; M108-L145 HydrophobicContact CB-CD2 3.84Å; M108-L145 HydrophobicContact CE-CB 3.73Å; M108-L145 HydrophobicContact CG-CB 3.98Å; M108-L145 HydrophobicContact CG-CD2 3.73Å; M108-L145 HydrophobicContact CG-CG 4.48Å; M108-L145 HydrophobicContact SD-CB 3.84Å; M108-L145 HydrophobicContact SD-CD2 4.34Å
109	C	96.7	Very high	95.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-95.2	151.5	174.9	-55.9	0	0	0	0	110.7	P51 C54 E112	P51-C109 HydrophobicContact CG-CB 3.43Å; P51-C109 VanDerWaalsContact CG-CB 3.43Å; C54-C109 HydrophobicContact CB-CB 3.82Å; C54-C109 WeakPolarHBondContact CB-SG 3.05Å; C54-C109 WeakPolarHBondContact SG-CB 3.17Å; C54-C109 CovalentContact SG-SG 2.03Å; C54-C109 PolarHBondContact SG-SG 3.24Å; C109-E112 HydrophobicContact CB-CB 4.23Å; C109-E112 PolarHBondContact N-OE2 2.89Å; C109-E112 WeakPolarHBondContact O-CB 3.23Å; C109-E112 PolarHBondContact O-N 3.19Å; C109-E112 VanDerWaalsContact O-N 3.08Å
110	V	96.9	Very high	95.9	Very high	25 Å²	25	24.1 Å²	24.1	15%	0.152	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	141.9	171.2	178.2	0	0	0	0	109.7	P51 E112 L145 L146 L148 L185 D186	P51-V110 WeakPolarHBondContact CG-O 3.28Å; V110-E112 PolarHBondContact O-N 3.11Å; V110-L145 HydrophobicContact CG2-CD2 4.48Å; V110-L145 HydrophobicContact CG2-CG 4.46Å; V110-L146 WeakPolarHBondContact CG1-O 3.47Å; V110-L148 HydrophobicContact CG2-CB 3.68Å; V110-L185 HydrophobicContact CG1-CG 4.26Å; V110-L185 HydrophobicContact CG2-CD2 3.97Å; V110-L185 HydrophobicContact CG2-CG 4.34Å; V110-D186 HydrophobicContact CG1-CB 4.49Å
111	N	96.2	Very high	95.9	Very high	58 Å²	58	29.9 Å²	29.9	31%	0.31	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	9.9	-166.1	-66.7	-21.1	0	0	0	115.8	L145 D186	N111-L145 WeakPolarHBondContact CA-O 3.47Å; N111-L145 PolarHBondContact N-O 2.86Å; N111-D186 PolarHBondContact ND2-O 3.08Å; N111-D186 WeakPolarHBondContact OD1-CA 3.4Å; N111-D186 VanDerWaalsContact OD1-CB 3.24Å; N111-D186 WeakPolarHBondContact OD1-CB 3.31Å; N111-D186 PolarHBondContact OD1-O 3.47Å
112	E	97.4	Very high	95.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.			trans	-75	145.2	168.7	-169.5	178.9	154.4	0	0	111.6	R47 E49 M108 C109 V110 R114 H144 L145	R47-E112 WeakPolarHBondContact CG-OE1 3.4Å; R47-E112 IonicContact CZ-OE1 2.84Å; R47-E112 IonicContact CZ-OE2 3.71Å; R47-E112 IonicContact NE-OE1 2.83Å; R47-E112 PolarHBondContact NE-OE1 3.08Å; R47-E112 IonicContact NE-OE2 3.47Å; R47-E112 VanDerWaalsContact NH2-CD 3.34Å; R47-E112 IonicContact NH2-OE1 3.27Å; R47-E112 PolarHBondContact NH2-OE1 2.9Å; R47-E112 IonicContact NH2-OE2 2.68Å; R47-E112 PolarHBondContact NH2-OE2 2.84Å; E49-E112 CarbonylContact O-C 3.52Å; E49-E112 VanDerWaalsContact O-CA 3.28Å; E49-E112 WeakPolarHBondContact O-CA 3.13Å; E49-E112 WeakPolarHBondContact O-CG 3.4Å; M108-E112 WeakPolarHBondContact CA-OE2 3.2Å; M108-E112 HydrophobicContact CE-CB 3.96Å; M108-E112 HydrophobicContact CE-CG 4.2Å; M108-E112 WeakPolarHBondContact CE-O 3.38Å; M108-E112 HydrophobicContact CG-CB 4.04Å; M108-E112 HydrophobicContact CG-CG 4.35Å; C109-E112 HydrophobicContact CB-CB 4.23Å; C109-E112 PolarHBondContact N-OE2 2.89Å; C109-E112 WeakPolarHBondContact O-CB 3.23Å; C109-E112 PolarHBondContact O-N 3.19Å; C109-E112 VanDerWaalsContact O-N 3.08Å; V110-E112 PolarHBondContact O-N 3.11Å; E112-R114 VanDerWaalsContact OE1-CD 3.24Å; E112-R114 WeakPolarHBondContact OE1-CD 3.4Å; E112-R114 IonicContact OE1-CZ 3.87Å; E112-R114 IonicContact OE1-NE 3.9Å; E112-R114 IonicContact OE1-NH1 3.64Å; E112-R114 PolarHBondContact OE1-NH1 2.9Å; E112-R114 IonicContact OE2-NH1 2.66Å; E112-H144 WeakPolarHBondContact O-CA 3.4Å; E112-L145 PolarHBondContact O-N 3.37Å; E112-L145 VanDerWaalsContact O-N 3.11Å
113	R	97.8	Very high	95.7	Very high	84 Å²	84	31 Å²	31	32%	0.317	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.8	161.6	-48	-167.3	-174.4	166.7	7.9	113.3	Y48 E49 I143 H144	Y48-R113 HydrophobicContact CD2-CB 4.39Å; Y48-R113 HydrophobicContact CE1-CB 4.01Å; Y48-R113 HydrophobicContact CE2-CB 3.64Å; Y48-R113 VanDerWaalsContact CZ-CB 3.43Å; Y48-R113 PolarHBondContact N-O 2.83Å; Y48-R113 VanDerWaalsContact N-O 3.16Å; Y48-R113 WeakPolarHBondContact OH-CB 3.4Å; E49-R113 HydrophobicContact CB-CB 3.9Å; E49-R113 HydrophobicContact CB-CG 4.19Å; E49-R113 PolarHBondContact N-O 2.96Å; E49-R113 VanDerWaalsContact N-O 3.12Å; E49-R113 PolarHBondContact O-N 3.35Å; E49-R113 WeakPolarHBondContact OE2-CD 3.31Å; E49-R113 WeakPolarHBondContact OE2-CG 3.44Å; E49-R113 IonicContact OE2-CZ 2.72Å; E49-R113 IonicContact OE2-NE 3.63Å; E49-R113 PolarHBondContact OE2-NE 3.12Å; E49-R113 IonicContact OE2-NH1 3.45Å; R113-I143 VanDerWaalsContact CA-O 3.22Å; R113-I143 WeakPolarHBondContact CA-O 3.5Å; R113-H144 HydrophobicContact CG-CB 3.89Å; R113-H144 VanDerWaalsContact CG-CD2 3.46Å; R113-H144 WeakPolarHBondContact CG-CD2 3.4Å; R113-H144 PolarHBondContact NE-CD2 3.11Å
114	R	97.3	Very high	95.7	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	152.3	178.8	68.2	-165.6	-174.8	-167.3	15.7	113.3	V45 D46 R47 G104 Q106 G107 M108 E112 I116 I143	V45-R114 HydrophobicContact CG1-CG 4.4Å; D46-R114 VanDerWaalsContact O-CA 3.24Å; D46-R114 WeakPolarHBondContact O-CA 2.84Å; D46-R114 WeakPolarHBondContact O-CB 3.34Å; R47-R114 HydrophobicContact CB-CB 4.49Å; R47-R114 HydrophobicContact CG-CB 4.41Å; G104-R114 VanDerWaalsContact O-CZ 3.31Å; G104-R114 PolarHBondContact O-NE 3.13Å; G104-R114 PolarHBondContact O-NH2 2.86Å; Q106-R114 PolarHBondContact O-NH2 2.82Å; G107-R114 PolarHBondContact O-NH1 3.33Å; M108-R114 HydrophobicContact CE-CG 3.92Å; M108-R114 HydrophobicContact SD-CG 4.3Å; E112-R114 VanDerWaalsContact OE1-CD 3.24Å; E112-R114 WeakPolarHBondContact OE1-CD 3.4Å; E112-R114 IonicContact OE1-CZ 3.87Å; E112-R114 IonicContact OE1-NE 3.9Å; E112-R114 IonicContact OE1-NH1 3.64Å; E112-R114 PolarHBondContact OE1-NH1 2.9Å; E112-R114 IonicContact OE2-NH1 2.66Å; R114-I116 HydrophobicContact CG-CG1 4.24Å; R114-I143 PolarHBondContact N-O 2.89Å; R114-I143 VanDerWaalsContact N-O 3.07Å; R114-I143 PolarHBondContact O-N 3.38Å
115	K	97.2	Very high	95.5	Very high	89 Å²	89	33.2 Å²	33.2	39%	0.387	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.9	167.9	-69	174.5	-179.1	176.7	0	110	D46 Y48 V140 F141 D142	D46-K115 HydrophobicContact CB-CB 4.26Å; D46-K115 PolarHBondContact N-O 2.9Å; D46-K115 PolarHBondContact O-N 3.04Å; Y48-K115 HydrophobicContact CD1-CG 4.49Å; Y48-K115 HydrophobicContact CE1-CG 4.11Å; K115-V140 HydrophobicContact CB-CG1 4.4Å; K115-F141 CarbonylContact C-O 3.3Å; K115-F141 WeakPolarHBondContact CA-O 3.1Å; K115-D142 WeakPolarHBondContact CE-OD2 3.33Å; K115-D142 HydrophobicContact CG-CB 4Å; K115-D142 IonicContact NZ-OD2 3.75Å
116	I	96.5	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	105.6	-180	-55.9	167	0	0	0	106	V43 V44 G104 R114 I118 F141 I143	V43-I116 HydrophobicContact CG1-CG2 3.36Å; V44-I116 WeakPolarHBondContact O-CA 3.25Å; G104-I116 VanDerWaalsContact O-CD1 3.26Å; G104-I116 WeakPolarHBondContact O-CD1 3.26Å; R114-I116 HydrophobicContact CG-CG1 4.24Å; I116-I118 HydrophobicContact CG2-CD1 4.16Å; I116-I118 HydrophobicContact CG2-CG1 3.78Å; I116-F141 HydrophobicContact CB-CB 4.39Å; I116-F141 PolarHBondContact N-O 3.36Å; I116-F141 PolarHBondContact O-N 3.1Å; I116-I143 HydrophobicContact CD1-CD1 3.59Å; I116-I143 HydrophobicContact CD1-CG1 4.01Å
117	T	96.2	Very high	95.2	Very high	37 Å²	37	39.4 Å²	39.4	23%	0.227	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.6	177.2	-59	0	0	0	0	108.9	V44 T138 V140	V44-T117 PolarHBondContact N-O 3.08Å; V44-T117 VanDerWaalsContact N-O 3.14Å; V44-T117 PolarHBondContact O-N 2.79Å; T117-T138 HydrophobicContact CG2-CG2 3.76Å; T117-V140 HydrophobicContact CG2-CG2 4.19Å
118	I	96.3	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.7	-168.2	-57.5	173.4	0	0	0	109.4	V43 I98 V101 I116 L122 A123 T138 L139 F141	V43-I118 HydrophobicContact CG1-CG1 4.33Å; I98-I118 HydrophobicContact CG2-CD1 4.39Å; V101-I118 HydrophobicContact CB-CD1 4.37Å; V101-I118 HydrophobicContact CG2-CD1 3.44Å; V101-I118 VanDerWaalsContact CG2-CD1 3.44Å; I116-I118 HydrophobicContact CG2-CD1 4.16Å; I116-I118 HydrophobicContact CG2-CG1 3.78Å; I118-L122 HydrophobicContact CG2-CB 3.81Å; I118-L122 WeakPolarHBondContact CG2-O 3.49Å; I118-A123 HydrophobicContact CG2-CB 3.88Å; I118-T138 WeakPolarHBondContact O-CA 3.44Å; I118-T138 WeakPolarHBondContact O-CG2 3.41Å; I118-L139 PolarHBondContact N-O 2.89Å; I118-L139 PolarHBondContact O-N 3.19Å; I118-F141 HydrophobicContact CD1-CD2 3.61Å; I118-F141 HydrophobicContact CD1-CE2 3.94Å; I118-F141 HydrophobicContact CD1-CG 4.48Å
119	P	95.3	Very high	94.7	Very high	25 Å²	25	40.6 Å²	40.6	16%	0.162	23%	0.23	C	C	.	.			trans	-70.1	159.7	174.9	33.1	-38.5	0	0	0	111	D42 H121 L122 A123	D42-P119 HydrophobicContact CB-CG 3.97Å; D42-P119 WeakPolarHBondContact O-CD 3.01Å; D42-P119 VanDerWaalsContact O-CG 3.23Å; D42-P119 WeakPolarHBondContact O-CG 3.45Å; P119-H121 VanDerWaalsContact C-N 3.31Å; P119-H121 WeakPolarHBondContact CG-CE1 3.38Å; P119-H121 PolarHBondContact O-N 3.21Å; P119-H121 VanDerWaalsContact O-N 3.15Å; P119-L122 HydrophobicContact CG-CB 4.39Å; P119-L122 HydrophobicContact CG-CD1 4.13Å; P119-L122 HydrophobicContact CG-CG 4.31Å; P119-L122 PolarHBondContact O-N 3.45Å; P119-A123 PolarHBondContact O-N 2.8Å
120	P	94.6	Very high	94.2	Very high	24 Å²	24	43.7 Å²	43.7	16%	0.156	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-60.1	-36.9	-166.6	-23.9	33.1	0	0	0	114.3	L122 A123 Y124 G125 D136	P120-L122 PolarHBondContact O-N 2.82Å; P120-L122 VanDerWaalsContact O-N 3.15Å; P120-A123 CarbonylContact O-C 3.53Å; P120-A123 WeakPolarHBondContact O-CA 3.03Å; P120-A123 PolarHBondContact O-N 3.14Å; P120-Y124 PolarHBondContact O-N 2.03Å; P120-G125 VanDerWaalsContact O-CA 3.28Å; P120-G125 WeakPolarHBondContact O-CA 3.41Å; P120-G125 PolarHBondContact O-N 2.85Å; P120-D136 HydrophobicContact CB-CB 4.47Å; P120-D136 HydrophobicContact CG-CB 4.39Å; P120-D136 WeakPolarHBondContact CG-O 3.48Å
121	H	93.4	Very high	93.6	Very high	120 Å²	120	51 Å²	51	56%	0.556	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-68.3	-10.2	179.5	70.5	-72.6	0	0	0	114.4	D42 P119	D42-H121 IonicContact OD2-CD2 3.14Å; D42-H121 IonicContact OD2-CE1 3.35Å; D42-H121 IonicContact OD2-NE2 3.78Å; D42-H121 PolarHBondContact OD2-NE2 2.57Å; P119-H121 VanDerWaalsContact C-N 3.31Å; P119-H121 WeakPolarHBondContact CG-CE1 3.38Å; P119-H121 PolarHBondContact O-N 3.21Å; P119-H121 VanDerWaalsContact O-N 3.15Å
122	L	94.2	Very high	93.3	Very high	16 Å²	16	52.9 Å²	52.9	8%	0.084	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-110.2	2	169.8	-60.3	179.2	0	0	0	112.6	D42 V43 I98 A99 G100 K103 I118 P119 P120	D42-L122 HydrophobicContact CB-CD1 3.9Å; V43-L122 HydrophobicContact CG2-CD1 3.51Å; I98-L122 WeakPolarHBondContact CG2-O 3.28Å; A99-L122 HydrophobicContact CB-CD2 4.29Å; A99-L122 PolarHBondContact N-O 3.37Å; G100-L122 PolarHBondContact N-O 2.82Å; K103-L122 HydrophobicContact CD-CD1 4.14Å; I118-L122 HydrophobicContact CG2-CB 3.81Å; I118-L122 WeakPolarHBondContact CG2-O 3.49Å; P119-L122 HydrophobicContact CG-CB 4.39Å; P119-L122 HydrophobicContact CG-CD1 4.13Å; P119-L122 HydrophobicContact CG-CG 4.31Å; P119-L122 PolarHBondContact O-N 3.45Å; P120-L122 PolarHBondContact O-N 2.82Å; P120-L122 VanDerWaalsContact O-N 3.15Å
123	A	92.9	Very high	93	Very high	22 Å²	22	53 Å²	53	18%	0.182	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-107.4	172.7	0	0	0	0	0	110.9	I98 I118 P119 P120 L139	I98-A123 HydrophobicContact CG2-CB 4.5Å; I118-A123 HydrophobicContact CG2-CB 3.88Å; P119-A123 PolarHBondContact O-N 2.8Å; P120-A123 CarbonylContact O-C 3.53Å; P120-A123 WeakPolarHBondContact O-CA 3.03Å; P120-A123 PolarHBondContact O-N 3.14Å; A123-L139 HydrophobicContact CB-CD1 3.96Å; A123-L139 HydrophobicContact CB-CG 4.17Å
124	Y	93.2	Very high	92.7	Very high	96 Å²	96	52.4 Å²	52.4	38%	0.376	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	2.7	-177.3	-63.6	-82.9	0	0	0	113.8	I98 P120 G128 A129 V133 L139	I98-Y124 HydrophobicContact CD1-CE2 4.01Å; P120-Y124 PolarHBondContact O-N 2.03Å; Y124-G128 PolarHBondContact O-N 2.76Å; Y124-A129 HydrophobicContact CD1-CB 3.67Å; Y124-A129 HydrophobicContact CD2-CB 4.42Å; Y124-A129 HydrophobicContact CE1-CB 3.76Å; Y124-A129 HydrophobicContact CE2-CB 4.5Å; Y124-A129 HydrophobicContact CG-CB 3.99Å; Y124-V133 HydrophobicContact CD2-CB 4.23Å; Y124-V133 HydrophobicContact CD2-CG1 3.87Å; Y124-V133 HydrophobicContact CD2-CG2 4.11Å; Y124-V133 HydrophobicContact CE2-CG2 3.99Å; Y124-V133 HydrophobicContact CG-CG1 4.47Å; Y124-L139 HydrophobicContact CD2-CD1 3.89Å; Y124-L139 HydrophobicContact CE2-CD1 3.77Å
125	G	91.9	Very high	92.6	Very high	18 Å²	18	56 Å²	56	19%	0.186	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	58.5	-157.9	177.6	0	0	0	0	0	114.7	P120 S127 G128 D136	P120-G125 VanDerWaalsContact O-CA 3.28Å; P120-G125 WeakPolarHBondContact O-CA 3.41Å; P120-G125 PolarHBondContact O-N 2.85Å; G125-S127 PolarHBondContact O-N 2.99Å; G125-S127 VanDerWaalsContact O-N 3.12Å; G125-G128 PolarHBondContact O-N 3.24Å; G125-D136 PolarHBondContact O-N 3.26Å
126	S	93.4	Very high	92.4	Very high	85 Å²	85	56.7 Å²	56.7	59%	0.594	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-72	4.5	176.4	58.1	0	0	0	0	114.3	D136	S126-D136 VanDerWaalsContact CA-OD1 3.31Å; S126-D136 WeakPolarHBondContact CA-OD1 3.44Å; S126-D136 WeakPolarHBondContact CB-OD1 3.35Å; S126-D136 PolarHBondContact N-OD1 3.4Å
127	S	91.1	Very high	92.3	Very high	106 Å²	106	57.5 Å²	57.5	74%	0.741	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-96.7	-25.5	174.1	-61.2	0	0	0	0	113.2	G125	G125-S127 PolarHBondContact O-N 2.99Å; G125-S127 VanDerWaalsContact O-N 3.12Å
128	G	90.1	Very high	92.3	Very high	12 Å²	12	57.9 Å²	57.9	12%	0.124	36%	0.362	C	S	.	.			trans	64.4	-162.4	-172.8	0	0	0	0	0	113.2	Y124 G125 V133	Y124-G128 PolarHBondContact O-N 2.76Å; G125-G128 PolarHBondContact O-N 3.24Å; G128-V133 CarbonylContact C-O 3.57Å; G128-V133 WeakPolarHBondContact CA-O 3.46Å
129	A	89.8	Confident	92.3	Very high	30 Å²	30	57.9 Å²	57.9	25%	0.248	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-137.9	79.1	177.7	0	0	0	0	0	110.8	Y124 V132 V133	Y124-A129 HydrophobicContact CD1-CB 3.67Å; Y124-A129 HydrophobicContact CD2-CB 4.42Å; Y124-A129 HydrophobicContact CE1-CB 3.76Å; Y124-A129 HydrophobicContact CE2-CB 4.5Å; Y124-A129 HydrophobicContact CG-CB 3.99Å; A129-V132 PolarHBondContact O-N 3.42Å; A129-V133 HydrophobicContact CB-CB 3.83Å; A129-V133 HydrophobicContact CB-CG2 4.03Å; A129-V133 PolarHBondContact N-O 3.32Å; A129-V133 PolarHBondContact O-N 2.6Å
130	G	86.4	Confident	92.3	Very high	67 Å²	67	57.7 Å²	57.7	69%	0.691	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-145.4	-174.3	0	0	0	0	0	111.7	V132	G130-V132 PolarHBondContact O-N 2.84Å
131	D	85.1	Confident	92.5	Very high	177 Å²	177	57.2 Å²	57.2	95%	0.947	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.6	177.8	-49.5	-63.8	0	0	0	113.6
132	V	89	Confident	92.7	Very high	98 Å²	98	53.4 Å²	53.4	59%	0.594	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-38.2	-169.7	-159.2	0	0	0	0	112.2	L78 A129 G130	L78-V132 HydrophobicContact CD1-CG1 3.7Å; A129-V132 PolarHBondContact O-N 3.42Å; G130-V132 PolarHBondContact O-N 2.84Å
133	V	90.9	Very high	92.9	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-124.3	117.3	175.1	-177.2	0	0	0	0	109.5	F72 L78 Y124 G128 A129 A137 L139	F72-V133 HydrophobicContact CE1-CG1 4.26Å; L78-V133 HydrophobicContact CD1-CG2 3.59Å; L78-V133 HydrophobicContact CD2-CG2 3.75Å; L78-V133 HydrophobicContact CG-CG2 4.33Å; Y124-V133 HydrophobicContact CD2-CB 4.23Å; Y124-V133 HydrophobicContact CD2-CG1 3.87Å; Y124-V133 HydrophobicContact CD2-CG2 4.11Å; Y124-V133 HydrophobicContact CE2-CG2 3.99Å; Y124-V133 HydrophobicContact CG-CG1 4.47Å; G128-V133 CarbonylContact C-O 3.57Å; G128-V133 WeakPolarHBondContact CA-O 3.46Å; A129-V133 HydrophobicContact CB-CB 3.83Å; A129-V133 HydrophobicContact CB-CG2 4.03Å; A129-V133 PolarHBondContact N-O 3.32Å; A129-V133 PolarHBondContact O-N 2.6Å; V133-A137 HydrophobicContact CG1-CB 3.92Å; V133-L139 HydrophobicContact CG1-CD2 4.25Å
134	P	92.6	Very high	93.1	Very high	71 Å²	71	53 Å²	53	46%	0.461	33%	0.334	S	S	.	.			trans	-61.9	155.9	175.6	-23.9	34.7	0	0	0	113.4	A137	P134-A137 HydrophobicContact CB-CB 4.44Å; P134-A137 VanDerWaalsContact O-CB 3.3Å; P134-A137 WeakPolarHBondContact O-CB 3.5Å; P134-A137 PolarHBondContact O-N 2.87Å
135	P	94.4	Very high	93.3	Very high	79 Å²	79	48.5 Å²	48.5	51%	0.513	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	141.3	162.7	-29.1	37.7	0	0	0	112.4	A137	P135-A137 PolarHBondContact O-N 3.2Å; P135-A137 VanDerWaalsContact O-N 3.1Å
136	D	93.9	Very high	93.5	Very high	103 Å²	103	48.2 Å²	48.2	55%	0.551	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	25.2	175.7	-59.7	-50.7	0	0	0	114.9	P120 G125 S126	P120-D136 HydrophobicContact CB-CB 4.47Å; P120-D136 HydrophobicContact CG-CB 4.39Å; P120-D136 WeakPolarHBondContact CG-O 3.48Å; G125-D136 PolarHBondContact O-N 3.26Å; S126-D136 VanDerWaalsContact CA-OD1 3.31Å; S126-D136 WeakPolarHBondContact CA-OD1 3.44Å; S126-D136 WeakPolarHBondContact CB-OD1 3.35Å; S126-D136 PolarHBondContact N-OD1 3.4Å
137	A	94.3	Very high	93.7	Very high	17 Å²	17	44.1 Å²	44.1	14%	0.14	28%	0.282	C	S	.	.			trans	-77.2	127.7	175	0	0	0	0	0	112.9	F72 V133 P134 P135	F72-A137 HydrophobicContact CD1-CB 4.29Å; F72-A137 HydrophobicContact CE1-CB 4Å; V133-A137 HydrophobicContact CG1-CB 3.92Å; P134-A137 HydrophobicContact CB-CB 4.44Å; P134-A137 VanDerWaalsContact O-CB 3.3Å; P134-A137 WeakPolarHBondContact O-CB 3.5Å; P134-A137 PolarHBondContact O-N 2.87Å; P135-A137 PolarHBondContact O-N 3.2Å; P135-A137 VanDerWaalsContact O-N 3.1Å
138	T	94.8	Very high	94	Very high	46 Å²	46	39.4 Å²	39.4	28%	0.282	25%	0.248	S	C	.	.			trans	-79.6	133.6	166.7	-61.6	0	0	0	0	109.6	T73 T117 I118	T73-T138 HydrophobicContact CG2-CG2 3.76Å; T117-T138 HydrophobicContact CG2-CG2 3.76Å; I118-T138 WeakPolarHBondContact O-CA 3.44Å; I118-T138 WeakPolarHBondContact O-CG2 3.41Å
139	L	96.1	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	143.5	-179	-57.9	-175	0	0	0	111.4	F72 L78 I118 A123 Y124 V133 F141	F72-L139 HydrophobicContact CD1-CD2 3.86Å; F72-L139 HydrophobicContact CE1-CD2 3.74Å; L78-L139 HydrophobicContact CD2-CD1 4.01Å; L78-L139 HydrophobicContact CD2-CD2 3.86Å; I118-L139 PolarHBondContact N-O 2.89Å; I118-L139 PolarHBondContact O-N 3.19Å; A123-L139 HydrophobicContact CB-CD1 3.96Å; A123-L139 HydrophobicContact CB-CG 4.17Å; Y124-L139 HydrophobicContact CD2-CD1 3.89Å; Y124-L139 HydrophobicContact CE2-CD1 3.77Å; V133-L139 HydrophobicContact CG1-CD2 4.25Å; L139-F141 HydrophobicContact CB-CD2 4.27Å; L139-F141 HydrophobicContact CB-CE2 3.9Å; L139-F141 HydrophobicContact CD1-CE2 3.98Å
140	V	97.1	Very high	94.6	Very high	21 Å²	21	38.8 Å²	38.8	13%	0.127	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115	175.1	-177.2	0	0	0	0	108.9	T71 T73 K115 T117	T71-V140 PolarHBondContact N-O 3.4Å; T71-V140 PolarHBondContact O-N 2.91Å; T71-V140 PolarHBondContact OG1-O 2.8Å; T73-V140 HydrophobicContact CG2-CG2 4.18Å; K115-V140 HydrophobicContact CB-CG1 4.4Å; T117-V140 HydrophobicContact CG2-CG2 4.19Å
141	F	97.6	Very high	94.9	Very high	14 Å²	14	42.9 Å²	42.9	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.4	174.8	-77.3	-105.2	0	0	0	109.6	Y68 N69 A70 I98 V101 K115 I116 I118 L139 I143	Y68-F141 AromaticContact CD2-CD1 3.84Å; Y68-F141 HydrophobicContact CD2-CD1 3.84Å; Y68-F141 AromaticContact CD2-CE1 3.9Å; Y68-F141 HydrophobicContact CD2-CE1 3.9Å; Y68-F141 HydrophobicContact CE2-CE1 4.18Å; Y68-F141 HydrophobicContact CG-CD1 4.32Å; N69-F141 WeakPolarHBondContact O-CA 3.48Å; A70-F141 HydrophobicContact CB-CD1 3.92Å; A70-F141 HydrophobicContact CB-CE1 3.61Å; A70-F141 HydrophobicContact CB-CE2 4.28Å; A70-F141 HydrophobicContact CB-CG 4.38Å; A70-F141 HydrophobicContact CB-CZ 3.8Å; I98-F141 HydrophobicContact CD1-CE2 4.29Å; I98-F141 HydrophobicContact CD1-CZ 3.73Å; V101-F141 HydrophobicContact CG2-CD1 4Å; V101-F141 HydrophobicContact CG2-CD2 3.92Å; V101-F141 HydrophobicContact CG2-CE1 4.01Å; V101-F141 HydrophobicContact CG2-CE2 3.94Å; V101-F141 HydrophobicContact CG2-CG 3.96Å; V101-F141 HydrophobicContact CG2-CZ 3.99Å; K115-F141 CarbonylContact C-O 3.3Å; K115-F141 WeakPolarHBondContact CA-O 3.1Å; I116-F141 HydrophobicContact CB-CB 4.39Å; I116-F141 PolarHBondContact N-O 3.36Å; I116-F141 PolarHBondContact O-N 3.1Å; I118-F141 HydrophobicContact CD1-CD2 3.61Å; I118-F141 HydrophobicContact CD1-CE2 3.94Å; I118-F141 HydrophobicContact CD1-CG 4.48Å; L139-F141 HydrophobicContact CB-CD2 4.27Å; L139-F141 HydrophobicContact CB-CE2 3.9Å; L139-F141 HydrophobicContact CD1-CE2 3.98Å; F141-I143 HydrophobicContact CB-CD1 4.21Å; F141-I143 HydrophobicContact CB-CG1 4.02Å
142	D	97.6	Very high	95.3	Very high	40 Å²	40	38.4 Å²	38.4	21%	0.214	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.7	167.8	-159.8	-21	0	0	0	107.9	Y48 Y68 N69 K115	Y48-D142 VanDerWaalsContact CE1-OD1 3.28Å; Y48-D142 WeakPolarHBondContact CE1-OD1 3.45Å; Y48-D142 PolarHBondContact OH-OD1 2.94Å; Y48-D142 PolarHBondContact OH-OD2 3.44Å; Y68-D142 CarbonylContact C-O 3.43Å; Y68-D142 WeakPolarHBondContact CA-O 3.24Å; N69-D142 PolarHBondContact N-O 3.34Å; N69-D142 PolarHBondContact O-N 2.98Å; K115-D142 WeakPolarHBondContact CE-OD2 3.33Å; K115-D142 HydrophobicContact CG-CB 4Å; K115-D142 IonicContact NZ-OD2 3.75Å
143	I	97.8	Very high	95.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.2	-169.9	-58.7	-159.7	0	0	0	111.1	Y66 H67 V101 L105 M108 R113 R114 I116 F141	Y66-I143 HydrophobicContact CD2-CD1 4.14Å; Y66-I143 HydrophobicContact CD2-CG2 3.75Å; Y66-I143 HydrophobicContact CE2-CD1 3.99Å; Y66-I143 HydrophobicContact CG-CG2 4.05Å; H67-I143 WeakPolarHBondContact O-CA 3.47Å; V101-I143 HydrophobicContact CG1-CD1 4.16Å; L105-I143 HydrophobicContact CD2-CD1 4.13Å; L105-I143 HydrophobicContact CD2-CG2 4.14Å; M108-I143 HydrophobicContact CE-CB 4.42Å; M108-I143 HydrophobicContact CE-CG2 4Å; M108-I143 HydrophobicContact SD-CG2 4.18Å; R113-I143 VanDerWaalsContact CA-O 3.22Å; R113-I143 WeakPolarHBondContact CA-O 3.5Å; R114-I143 PolarHBondContact N-O 2.89Å; R114-I143 VanDerWaalsContact N-O 3.07Å; R114-I143 PolarHBondContact O-N 3.38Å; I116-I143 HydrophobicContact CD1-CD1 3.59Å; I116-I143 HydrophobicContact CD1-CG1 4.01Å; F141-I143 HydrophobicContact CB-CD1 4.21Å; F141-I143 HydrophobicContact CB-CG1 4.02Å
144	H	97.6	Very high	95.9	Very high	29 Å²	29	41 Å²	41	13%	0.134	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.3	169	178.2	-140.8	0	0	0	109.8	Y66 H67 E112 R113 L146	Y66-H144 CarbonylContact C-O 3.51Å; Y66-H144 WeakPolarHBondContact CA-O 3.33Å; Y66-H144 WeakPolarHBondContact CB-O 3.28Å; H67-H144 PolarHBondContact N-O 2.89Å; H67-H144 PolarHBondContact O-N 2.98Å; E112-H144 WeakPolarHBondContact O-CA 3.4Å; R113-H144 HydrophobicContact CG-CB 3.89Å; R113-H144 VanDerWaalsContact CG-CD2 3.46Å; R113-H144 WeakPolarHBondContact CG-CD2 3.4Å; R113-H144 PolarHBondContact NE-CD2 3.11Å; H144-L146 VanDerWaalsContact CE1-CD2 3.5Å; H144-L146 WeakPolarHBondContact CE1-CD2 3.36Å; H144-L146 WeakPolarHBondContact ND1-CD2 3.43Å
145	L	97.6	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.4	-177.6	-178.6	61.3	0	0	0	111.4	V64 M108 V110 N111 E112 D147	V64-L145 HydrophobicContact CB-CD1 3.65Å; V64-L145 HydrophobicContact CG1-CD1 3.69Å; V64-L145 HydrophobicContact CG1-CD2 4.28Å; M108-L145 HydrophobicContact CB-CD2 3.84Å; M108-L145 HydrophobicContact CE-CB 3.73Å; M108-L145 HydrophobicContact CG-CB 3.98Å; M108-L145 HydrophobicContact CG-CD2 3.73Å; M108-L145 HydrophobicContact CG-CG 4.48Å; M108-L145 HydrophobicContact SD-CB 3.84Å; M108-L145 HydrophobicContact SD-CD2 4.34Å; V110-L145 HydrophobicContact CG2-CD2 4.48Å; V110-L145 HydrophobicContact CG2-CG 4.46Å; N111-L145 WeakPolarHBondContact CA-O 3.47Å; N111-L145 PolarHBondContact N-O 2.86Å; E112-L145 PolarHBondContact O-N 3.37Å; E112-L145 VanDerWaalsContact O-N 3.11Å; L145-D147 WeakPolarHBondContact CD1-O 3.39Å
146	L	96.9	Very high	96.3	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-22.2	-173	-46.6	169.3	0	0	0	113.2	R65 A87 V110 H144 D186	R65-L146 HydrophobicContact CG-CD1 4.42Å; R65-L146 PolarHBondContact NH2-O 3.24Å; R65-L146 WeakPolarHBondContact O-CA 3.28Å; R65-L146 VanDerWaalsContact O-CB 3.28Å; R65-L146 WeakPolarHBondContact O-CB 3.49Å; R65-L146 PolarHBondContact O-N 2.8Å; A87-L146 HydrophobicContact CB-CD1 3.69Å; V110-L146 WeakPolarHBondContact CG1-O 3.47Å; H144-L146 VanDerWaalsContact CE1-CD2 3.5Å; H144-L146 WeakPolarHBondContact CE1-CD2 3.36Å; H144-L146 WeakPolarHBondContact ND1-CD2 3.43Å; L146-D186 HydrophobicContact CB-CB 4.36Å; L146-D186 WeakPolarHBondContact O-CB 3.44Å; L146-D186 PolarHBondContact O-N 3.32Å
147	D	97.3	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	149.7	-170.3	-138.8	-49.9	0	0	0	112.1	V64 R65 L145 W149 A249 T250	V64-D147 WeakPolarHBondContact CA-O 3.39Å; R65-D147 HydrophobicContact CB-CB 3.6Å; R65-D147 HydrophobicContact CG-CB 4.45Å; R65-D147 IonicContact CZ-OD2 2.7Å; R65-D147 PolarHBondContact N-O 2.79Å; R65-D147 VanDerWaalsContact N-O 3.09Å; R65-D147 IonicContact NE-OD2 3.49Å; R65-D147 PolarHBondContact NE-OD2 2.61Å; R65-D147 IonicContact NH2-OD2 2.74Å; R65-D147 PolarHBondContact NH2-OD2 3.09Å; R65-D147 PolarHBondContact O-N 2.84Å; L145-D147 WeakPolarHBondContact CD1-O 3.39Å; D147-W149 HydrophobicContact CB-CE3 4.21Å; D147-W149 HydrophobicContact CB-CZ3 3.97Å; D147-A249 WeakPolarHBondContact OD2-CA 3.38Å; D147-T250 WeakPolarHBondContact OD1-CB 3.36Å; D147-T250 PolarHBondContact OD1-OG1 3.19Å; D147-T250 PolarHBondContact OD2-N 2.9Å
148	L	96.8	Very high	96.6	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	113.2	-172.4	178.1	62.2	0	0	0	111.3	R56 A58 D62 Y63 V64 V110	R56-L148 HydrophobicContact CB-CD2 4.15Å; R56-L148 HydrophobicContact CG-CD2 3.67Å; R56-L148 HydrophobicContact CG-CG 4.43Å; A58-L148 HydrophobicContact CB-CD1 3.58Å; A58-L148 HydrophobicContact CB-CD2 4Å; A58-L148 HydrophobicContact CB-CG 4.47Å; D62-L148 HydrophobicContact CB-CD1 3.65Å; Y63-L148 WeakPolarHBondContact O-CA 3.06Å; V64-L148 HydrophobicContact CG1-CD1 3.6Å; V110-L148 HydrophobicContact CG2-CB 3.68Å
149	W	96.8	Very high	96.6	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	165.8	-179	72.3	99.9	0	0	0	112.1	D62 Y63 R65 V89 D147 D153 P232 Q248	D62-W149 CarbonylContact C-O 3.51Å; Y63-W149 WeakPolarHBondContact CA-O 3.4Å; Y63-W149 HydrophobicContact CD1-CZ2 4.31Å; Y63-W149 HydrophobicContact CG-CZ2 4.02Å; Y63-W149 AromaticContact CG-NE1 3.96Å; Y63-W149 PolarHBondContact N-O 3.23Å; Y63-W149 PolarHBondContact O-N 3.03Å; R65-W149 HydrophobicContact CB-CH2 4.2Å; R65-W149 HydrophobicContact CB-CZ3 3.89Å; V89-W149 HydrophobicContact CG1-CH2 3.88Å; V89-W149 HydrophobicContact CG1-CZ2 4.14Å; V89-W149 HydrophobicContact CG2-CH2 4.39Å; D147-W149 HydrophobicContact CB-CE3 4.21Å; D147-W149 HydrophobicContact CB-CZ3 3.97Å; W149-D153 WeakPolarHBondContact CA-OD2 3.38Å; W149-P232 HydrophobicContact CD2-CG 3.73Å; W149-P232 HydrophobicContact CE3-CG 4.24Å; W149-P232 HydrophobicContact CG-CG 3.9Å; W149-P232 HydrophobicContact CZ2-CG 4.44Å; W149-Q248 HydrophobicContact CH2-CB 3.74Å; W149-Q248 HydrophobicContact CZ2-CB 3.58Å; W149-Q248 HydrophobicContact CZ2-CG 4.28Å
150	N	95.5	Very high	96.6	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.134	26%	0.257	C	S	.	.			trans	-133.9	170.4	167.6	74.3	63.4	0	0	0	110.3	R56 A152 D153 F233	R56-N150 PolarHBondContact NH2-ND2 3.23Å; N150-A152 VanDerWaalsContact C-N 3.28Å; N150-A152 PolarHBondContact O-N 2.65Å; N150-A152 WeakPolarHBondContact OD1-CA 3.44Å; N150-A152 WeakPolarHBondContact OD1-CB 3.29Å; N150-A152 PolarHBondContact OD1-N 2.89Å; N150-D153 PolarHBondContact N-OD2 2.97Å; N150-D153 VanDerWaalsContact ND2-CG 3.35Å; N150-D153 PolarHBondContact ND2-OD1 3.48Å; N150-D153 PolarHBondContact ND2-OD2 2.96Å; N150-D153 PolarHBondContact O-N 2.84Å; N150-D153 PolarHBondContact OD1-N 3.39Å; N150-D153 VanDerWaalsContact OD1-N 3.13Å; N150-D153 PolarHBondContact OD1-OD1 3.36Å; N150-F233 VanDerWaalsContact O-CE1 3.27Å; N150-F233 WeakPolarHBondContact O-CE1 3.3Å
151	K	93.2	Very high	96.5	Very high	153 Å²	153	49 Å²	49	67%	0.665	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.3	-175.5	-77.8	173.3	172	166.9	0	115.6	Y63	Y63-K151 HydrophobicContact CE2-CD 4.07Å; Y63-K151 HydrophobicContact CE2-CG 4.02Å; Y63-K151 VanDerWaalsContact OH-CE 3.27Å; Y63-K151 WeakPolarHBondContact OH-CE 3.24Å; Y63-K151 PolarHBondContact OH-NZ 3.16Å
152	A	94.6	Very high	96.1	Very high	82 Å²	82	51.7 Å²	51.7	68%	0.678	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.6	175.7	0	0	0	0	0	112.9	N150	N150-A152 VanDerWaalsContact C-N 3.28Å; N150-A152 PolarHBondContact O-N 2.65Å; N150-A152 WeakPolarHBondContact OD1-CA 3.44Å; N150-A152 WeakPolarHBondContact OD1-CB 3.29Å; N150-A152 PolarHBondContact OD1-N 2.89Å
153	D	95.4	Very high	95.6	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	29%	0.293	C	S	.	.			trans	-63.2	139.1	177.9	-70	-25.3	0	0	0	111.3	R56 W149 N150 P231 F233	R56-D153 IonicContact CZ-OD2 3.14Å; R56-D153 IonicContact NH1-OD1 3.42Å; R56-D153 PolarHBondContact NH1-OD1 2.85Å; R56-D153 IonicContact NH1-OD2 3.72Å; R56-D153 PolarHBondContact NH1-OD2 3.17Å; R56-D153 IonicContact NH2-OD1 2.66Å; R56-D153 IonicContact NH2-OD2 3.92Å; R56-D153 PolarHBondContact NH2-OD2 2.84Å; W149-D153 WeakPolarHBondContact CA-OD2 3.38Å; N150-D153 PolarHBondContact N-OD2 2.97Å; N150-D153 VanDerWaalsContact ND2-CG 3.35Å; N150-D153 PolarHBondContact ND2-OD1 3.48Å; N150-D153 PolarHBondContact ND2-OD2 2.96Å; N150-D153 PolarHBondContact O-N 2.84Å; N150-D153 PolarHBondContact OD1-N 3.39Å; N150-D153 VanDerWaalsContact OD1-N 3.13Å; N150-D153 PolarHBondContact OD1-OD1 3.36Å; D153-P231 HydrophobicContact CB-CB 4.21Å; D153-P231 HydrophobicContact CB-CG 4.3Å; D153-F233 VanDerWaalsContact O-CZ 3.28Å; D153-F233 WeakPolarHBondContact O-CZ 3.34Å
154	L	96.8	Very high	94.8	Very high	119 Å²	119	62.3 Å²	62.3	62%	0.623	34%	0.336	S	S	*	.			trans	-102.1	175.4	176.2	-59.1	179.9	0	0	0	109.9	V156 P231	L154-V156 PolarHBondContact O-N 2.74Å; L154-P231 WeakPolarHBondContact O-CD 3.46Å
155	V	97.6	Very high	93.8	Very high	22 Å²	22	67.6 Å²	67.6	13%	0.133	37%	0.365	C	S	.	.			trans	-65.2	128.6	162.6	178.6	0	0	0	0	107.9	T157 G212 E215 I228 V229 I230 K234	V155-T157 HydrophobicContact CG1-CG2 4.2Å; V155-G212 VanDerWaalsContact CG2-CA 3.4Å; V155-E215 HydrophobicContact CB-CB 4.45Å; V155-E215 HydrophobicContact CG2-CB 4.02Å; V155-E215 VanDerWaalsContact CG2-OE2 3.3Å; V155-E215 WeakPolarHBondContact CG2-OE2 3.25Å; V155-I228 HydrophobicContact CG1-CG2 3.57Å; V155-V229 WeakPolarHBondContact CA-O 3.47Å; V155-I230 HydrophobicContact CG1-CG1 4.4Å; V155-I230 HydrophobicContact CG2-CG1 4.49Å; V155-K234 HydrophobicContact CG2-CD 3.8Å
156	V	97	Very high	93.2	Very high	90 Å²	90	70.2 Å²	70.2	55%	0.545	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115	175	-177.9	0	0	0	0	108.1	L154 V229	L154-V156 PolarHBondContact O-N 2.74Å; V156-V229 HydrophobicContact CB-CB 4.33Å; V156-V229 PolarHBondContact N-O 3.08Å; V156-V229 PolarHBondContact O-N 3.24Å
157	T	97.4	Very high	92.5	Very high	69 Å²	69	75.7 Å²	75.7	42%	0.423	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.6	172.9	50.6	0	0	0	0	110.6	V155 H227 I228	V155-T157 HydrophobicContact CG1-CG2 4.2Å; T157-H227 CarbonylContact C-O 3.55Å; T157-H227 WeakPolarHBondContact CA-O 3.34Å; T157-I228 HydrophobicContact CG2-CG1 4.36Å; T157-I228 HydrophobicContact CG2-CG2 4.29Å
158	R	96.4	Very high	92.1	Very high	137 Å²	137	80 Å²	80	52%	0.517	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	105.8	170.8	179.9	-178.6	66.3	89.8	1.9	108.6	V160 H227	R158-V160 PolarHBondContact O-N 3.42Å; R158-H227 HydrophobicContact CB-CB 4.36Å; R158-H227 PolarHBondContact N-O 2.71Å; R158-H227 WeakPolarHBondContact O-CB 3.35Å; R158-H227 PolarHBondContact O-N 3.32Å
159	T	96.3	Very high	92	Very high	58 Å²	58	81.8 Å²	81.8	36%	0.356	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.9	169.7	-58.3	0	0	0	0	109.6	T162 E224	T159-T162 VanDerWaalsContact CG2-OG1 3.28Å; T159-T162 WeakPolarHBondContact CG2-OG1 3.48Å; T159-E224 WeakPolarHBondContact CB-OE1 3.27Å; T159-E224 HydrophobicContact CG2-CG 3.66Å; T159-E224 WeakPolarHBondContact CG2-OE1 3.35Å; T159-E224 PolarHBondContact OG1-OE1 2.73Å
160	V	95.5	Very high	92	Very high	74 Å²	74	81.7 Å²	81.7	45%	0.448	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-40.7	179.1	-178.5	0	0	0	0	109.8	R158 I225 H227	R158-V160 PolarHBondContact O-N 3.42Å; V160-I225 HydrophobicContact CB-CB 4.18Å; V160-I225 HydrophobicContact CB-CG2 3.93Å; V160-I225 HydrophobicContact CG1-CG2 4.42Å; V160-I225 HydrophobicContact CG2-CG2 4.23Å; V160-I225 PolarHBondContact N-O 2.74Å; V160-H227 HydrophobicContact CG2-CB 4.18Å
161	S	94.4	Very high	92	Very high	53 Å²	53	86.3 Å²	86.3	37%	0.371	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	131.6	173.9	56.6	0	0	0	0	111.2	E224 I225	S161-E224 VanDerWaalsContact O-CA 3.31Å; S161-E224 WeakPolarHBondContact O-CA 3.29Å; S161-E224 WeakPolarHBondContact O-CG 3.33Å; S161-I225 PolarHBondContact N-O 3.03Å; S161-I225 PolarHBondContact O-N 2.92Å
162	T	89.3	Confident	92.2	Very high	72 Å²	72	86.5 Å²	86.5	44%	0.442	45%	0.454	S	S	.	.			trans	-108.2	137.6	169.4	-39.7	0	0	0	0	109.4	T159 C166 C221	T159-T162 VanDerWaalsContact CG2-OG1 3.28Å; T159-T162 WeakPolarHBondContact CG2-OG1 3.48Å; T162-C166 HydrophobicContact CG2-CB 4.46Å; T162-C221 HydrophobicContact CG2-CB 3.84Å
163	P	87.1	Confident	92.1	Very high	54 Å²	54	84.9 Å²	84.9	35%	0.351	44%	0.436	S	S	.	.			trans	-62.4	157.2	166.7	-26.7	39.1	0	0	0	112	D165 V222 G223	P163-D165 PolarHBondContact O-N 3.43Å; P163-V222 WeakPolarHBondContact CG-O 3.38Å; P163-G223 VanDerWaalsContact CD-C 3.47Å; P163-G223 WeakPolarHBondContact CD-O 3.19Å; P163-G223 VanDerWaalsContact CG-C 3.46Å; P163-G223 WeakPolarHBondContact CG-O 3.44Å
164	K	81.6	Confident	92.2	Very high	209 Å²	209	83.2 Å²	83.2	91%	0.909	43%	0.427	S	S	*	.	S	Bend	trans	-64.4	-40.7	-175	-65.3	180	179.7	177.3	0	112.7	C166	K164-C166 PolarHBondContact O-N 2.81Å
165	D	76.8	Confident	92.2	Very high	140 Å²	140	79 Å²	79	75%	0.749	40%	0.404	S	S	*	.			trans	-102	60.5	-171.5	-59.4	-48.2	0	0	0	112.1	P163 K167	P163-D165 PolarHBondContact O-N 3.43Å; D165-K167 VanDerWaalsContact C-N 3.31Å; D165-K167 PolarHBondContact O-N 2.96Å
166	C	85.3	Confident	92.2	Very high	55 Å²	55	78 Å²	78	37%	0.372	40%	0.398	S	S	.	.			trans	-71.3	85	171.7	-177.2	0	0	0	0	111.2	T162 K164 C221	T162-C166 HydrophobicContact CG2-CB 4.46Å; K164-C166 PolarHBondContact O-N 2.81Å; C166-C221 HydrophobicContact CB-CB 3.69Å; C166-C221 WeakPolarHBondContact CB-SG 3.35Å; C166-C221 WeakPolarHBondContact SG-CB 3.39Å; C166-C221 CovalentContact SG-SG 2.02Å; C166-C221 PolarHBondContact SG-SG 2.84Å
167	K	81.5	Confident	92.2	Very high	128 Å²	128	74.5 Å²	74.5	56%	0.557	38%	0.375	S	S	*	.			trans	-70.3	-36.4	177.2	-67.5	-168.2	169.2	-155.4	0	113.8	D165 E270	D165-K167 VanDerWaalsContact C-N 3.31Å; D165-K167 PolarHBondContact O-N 2.96Å; K167-E270 IonicContact NZ-OE1 2.82Å; K167-E270 PolarHBondContact NZ-OE1 3.09Å; K167-E270 IonicContact NZ-OE2 3.14Å; K167-E270 PolarHBondContact NZ-OE2 2.87Å
168	R	88.5	Confident	92.2	Very high	89 Å²	89	71.5 Å²	71.5	34%	0.336	36%	0.356	S	S	.	.			trans	-142.4	145.9	-179.4	178.2	-176.8	176.2	161.7	0.4	108.7	D174 I260 D265	R168-D174 IonicContact CZ-OD2 2.72Å; R168-D174 IonicContact NE-OD2 2.97Å; R168-D174 PolarHBondContact NE-OD2 3.02Å; R168-D174 IonicContact NH2-OD1 3.85Å; R168-D174 PolarHBondContact NH2-OD1 2.87Å; R168-D174 IonicContact NH2-OD2 2.67Å; R168-D174 PolarHBondContact NH2-OD2 2.87Å; R168-I260 HydrophobicContact CB-CD1 4.08Å; R168-I260 HydrophobicContact CG-CD1 3.7Å; R168-D265 IonicContact CZ-OD2 2.96Å; R168-D265 IonicContact NH1-OD2 2.74Å; R168-D265 PolarHBondContact NH1-OD2 2.84Å; R168-D265 IonicContact NH2-OD2 3.94Å; R168-D265 PolarHBondContact NH2-OD2 2.8Å
169	S	94.5	Very high	92.2	Very high	45 Å²	45	66.5 Å²	66.5	32%	0.315	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-118.6	158.4	169.9	64.6	0	0	0	0	111	M171 M220	S169-M171 PolarHBondContact O-N 2.99Å; S169-M220 CarbonylContact C-O 3.49Å; S169-M220 WeakPolarHBondContact CA-O 3.47Å; S169-M220 WeakPolarHBondContact CB-O 3.2Å
170	V	97.1	Very high	92.3	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.018	32%	0.323	C	S	.	.			trans	-53.9	121	-180	173.7	0	0	0	0	111.3	V176 V204 L217 G219 M220 L257 I260	V170-V176 HydrophobicContact CB-CG1 4.49Å; V170-V176 HydrophobicContact CG1-CG1 3.91Å; V170-V176 HydrophobicContact CG2-CG1 3.74Å; V170-V204 HydrophobicContact CG1-CB 3.98Å; V170-V204 HydrophobicContact CG1-CG1 3.9Å; V170-V204 HydrophobicContact CG1-CG2 3.88Å; V170-L217 WeakPolarHBondContact CB-O 3.19Å; V170-G219 PolarHBondContact O-N 2.8Å; V170-M220 HydrophobicContact CG2-CB 4.05Å; V170-M220 PolarHBondContact N-O 2.8Å; V170-L257 HydrophobicContact CG2-CD1 4.47Å; V170-L257 HydrophobicContact CG2-CD2 3.46Å; V170-L257 VanDerWaalsContact CG2-CD2 3.46Å; V170-I260 HydrophobicContact CG2-CG2 3.76Å
171	M	96.7	Very high	92.4	Very high	122 Å²	122	63.7 Å²	63.7	60%	0.601	32%	0.318	S	S	*	.			trans	-105.1	165.4	169.4	-61.3	-171.9	69.5	0	0	111.2	S169 D174	S169-M171 PolarHBondContact O-N 2.99Å; M171-D174 PolarHBondContact N-OD2 3Å; M171-D174 VanDerWaalsContact O-CB 3.31Å; M171-D174 WeakPolarHBondContact O-CB 3.41Å; M171-D174 PolarHBondContact O-N 2.81Å
172	R	95.6	Very high	92.6	Very high	156 Å²	156	61.1 Å²	61.1	59%	0.589	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	142.5	171.4	177	173.7	171.3	-167.6	-2.6	110	D174 V204 G205 E206 L218	R172-D174 PolarHBondContact O-N 3.26Å; R172-V204 WeakPolarHBondContact CA-O 3.24Å; R172-G205 PolarHBondContact NE-O 2.81Å; R172-E206 IonicContact CZ-OE1 3.51Å; R172-E206 IonicContact NE-OE1 3.35Å; R172-E206 PolarHBondContact NE-OE1 2.91Å; R172-E206 IonicContact NH2-OE1 3.32Å; R172-E206 PolarHBondContact NH2-OE1 2.69Å; R172-E206 IonicContact NH2-OE2 3.51Å; R172-L218 HydrophobicContact CB-CD2 4.42Å
173	T	94.3	Very high	93	Very high	49 Å²	49	59 Å²	59	30%	0.301	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-2.1	-170.5	75.9	0	0	0	0	116	V204 E206 N262	T173-V204 PolarHBondContact N-O 3.3Å; T173-E206 HydrophobicContact CG2-CG 4.15Å; T173-N262 PolarHBondContact O-ND2 2.91Å; T173-N262 PolarHBondContact OG1-ND2 3.19Å
174	D	97	Very high	93.5	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	27%	0.273	C	S	.	.			trans	-71	138.9	171.5	-70.9	-9.2	0	0	0	110.7	R168 M171 R172 L203 V204 H261 N262	R168-D174 IonicContact CZ-OD2 2.72Å; R168-D174 IonicContact NE-OD2 2.97Å; R168-D174 PolarHBondContact NE-OD2 3.02Å; R168-D174 IonicContact NH2-OD1 3.85Å; R168-D174 PolarHBondContact NH2-OD1 2.87Å; R168-D174 IonicContact NH2-OD2 2.67Å; R168-D174 PolarHBondContact NH2-OD2 2.87Å; M171-D174 PolarHBondContact N-OD2 3Å; M171-D174 VanDerWaalsContact O-CB 3.31Å; M171-D174 WeakPolarHBondContact O-CB 3.41Å; M171-D174 PolarHBondContact O-N 2.81Å; R172-D174 PolarHBondContact O-N 3.26Å; D174-L203 WeakPolarHBondContact O-CA 3.4Å; D174-V204 PolarHBondContact O-N 2.99Å; D174-H261 CarbonylContact C-O 3.58Å; D174-N262 PolarHBondContact OD1-ND2 3.38Å
175	F	96.7	Very high	94.2	Very high	32 Å²	32	49.4 Å²	49.4	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.4	166.6	-171.7	-80	0	0	0	108.5	R177 N201 S202 L203 I260 H261 P263	F175-R177 HydrophobicContact CE1-CG 4.04Å; F175-N201 HydrophobicContact CE1-CB 4.02Å; F175-N201 HydrophobicContact CZ-CB 3.74Å; F175-S202 CarbonylContact C-O 3.6Å; F175-S202 WeakPolarHBondContact CA-O 3.36Å; F175-L203 HydrophobicContact CB-CD2 3.84Å; F175-L203 HydrophobicContact CD2-CD2 4.03Å; F175-L203 HydrophobicContact CD2-CG 4.31Å; F175-L203 HydrophobicContact CG-CD2 4.43Å; F175-I260 WeakPolarHBondContact O-CA 3.14Å; F175-H261 AromaticContact CD1-CE1 3.37Å; F175-H261 WeakPolarHBondContact CD1-CE1 3.45Å; F175-H261 AromaticContact CG-CE1 3.71Å; F175-H261 PolarHBondContact N-O 3Å; F175-H261 PolarHBondContact O-N 3.22Å; F175-P263 HydrophobicContact CB-CG 4.11Å
176	V	97	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.2	-177.8	-58	0	0	0	0	110.7	V170 Y178 N201 S202 V204 L217 L257 D259 I260	V170-V176 HydrophobicContact CB-CG1 4.49Å; V170-V176 HydrophobicContact CG1-CG1 3.91Å; V170-V176 HydrophobicContact CG2-CG1 3.74Å; V176-Y178 HydrophobicContact CG2-CD1 3.76Å; V176-Y178 HydrophobicContact CG2-CE1 3.86Å; V176-N201 WeakPolarHBondContact O-CA 3.25Å; V176-S202 PolarHBondContact N-O 3.4Å; V176-S202 PolarHBondContact O-N 2.86Å; V176-S202 VanDerWaalsContact O-N 3.09Å; V176-V204 HydrophobicContact CB-CG2 4.25Å; V176-V204 HydrophobicContact CG1-CG2 3.6Å; V176-V204 HydrophobicContact CG2-CG2 3.54Å; V176-L217 HydrophobicContact CG2-CD1 4.32Å; V176-L257 HydrophobicContact CB-CD1 3.97Å; V176-L257 HydrophobicContact CG1-CD1 4.4Å; V176-D259 WeakPolarHBondContact CA-O 3.43Å; V176-I260 HydrophobicContact CG1-CG2 4.05Å
177	R	96.6	Very high	95.5	Very high	16 Å²	16	43 Å²	43	6%	0.06	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.6	165.8	-61.6	176.3	28.5	-170.3	-30.9	109	F175 T199 Y200 L257 E258 D259 P358 P359 S360 A361	F175-R177 HydrophobicContact CE1-CG 4.04Å; R177-T199 HydrophobicContact CB-CG2 4.31Å; R177-Y200 WeakPolarHBondContact CA-O 3.27Å; R177-L257 WeakPolarHBondContact O-CD1 3.37Å; R177-E258 WeakPolarHBondContact O-CB 3.35Å; R177-E258 PolarHBondContact O-N 2.87Å; R177-D259 HydrophobicContact CB-CB 3.86Å; R177-D259 HydrophobicContact CG-CB 4.14Å; R177-D259 PolarHBondContact N-O 3.12Å; R177-D259 PolarHBondContact O-N 3.01Å; R177-D259 VanDerWaalsContact O-N 3.13Å; R177-P358 PolarHBondContact NH1-O 3.29Å; R177-P359 WeakPolarHBondContact CD-O 3.2Å; R177-P359 PolarHBondContact NH1-O 2.9Å; R177-S360 VanDerWaalsContact CD-O 3.32Å; R177-S360 WeakPolarHBondContact CD-O 3.45Å; R177-A361 VanDerWaalsContact NH1-CA 3.31Å
178	Y	97.1	Very high	96.2	Very high	6 Å²	6	40.8 Å²	40.8	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.2	179.5	58.8	-90.5	0	0	0	112.3	V176 F180 T199 Y200 M213 L217 V255 L256	V176-Y178 HydrophobicContact CG2-CD1 3.76Å; V176-Y178 HydrophobicContact CG2-CE1 3.86Å; Y178-F180 HydrophobicContact CD2-CB 4.14Å; Y178-F180 AromaticContact CD2-CD1 3.97Å; Y178-F180 HydrophobicContact CD2-CD1 3.97Å; Y178-F180 HydrophobicContact CE2-CB 4.25Å; Y178-F180 AromaticContact CE2-CD1 3.6Å; Y178-F180 HydrophobicContact CE2-CD1 3.6Å; Y178-F180 HydrophobicContact CE2-CE1 4.34Å; Y178-F180 HydrophobicContact CE2-CG 4.23Å; Y178-T199 WeakPolarHBondContact O-CA 3.26Å; Y178-Y200 AromaticContact CE1-CD1 3.97Å; Y178-Y200 HydrophobicContact CE1-CD1 3.97Å; Y178-Y200 HydrophobicContact CE2-CD1 4.3Å; Y178-Y200 HydrophobicContact CE2-CG 4.35Å; Y178-Y200 AromaticContact CZ-CD1 3.58Å; Y178-Y200 PolarHBondContact N-O 3.42Å; Y178-Y200 PolarHBondContact O-N 3.03Å; Y178-Y200 VanDerWaalsContact OH-CD1 3.22Å; Y178-Y200 WeakPolarHBondContact OH-CD1 3.47Å; Y178-M213 HydrophobicContact CD2-CE 4.3Å; Y178-M213 HydrophobicContact CE2-CE 3.56Å; Y178-L217 HydrophobicContact CD1-CD1 4.4Å; Y178-L217 HydrophobicContact CD1-CD2 4.27Å; Y178-L217 HydrophobicContact CE1-CD1 3.79Å; Y178-L217 HydrophobicContact CE1-CD2 4.36Å; Y178-V255 HydrophobicContact CD2-CG1 3.75Å; Y178-V255 HydrophobicContact CG-CG1 3.97Å; Y178-L256 CarbonylContact C-O 3.58Å; Y178-L256 VanDerWaalsContact CA-O 3.24Å; Y178-L256 WeakPolarHBondContact CA-O 3.24Å; Y178-L256 VanDerWaalsContact CB-O 3.26Å; Y178-L256 WeakPolarHBondContact CB-O 3.46Å
179	H	97.7	Very high	96.6	Very high	32 Å²	32	40.3 Å²	40.3	15%	0.148	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.2	159.6	-80.3	-67.3	0	0	0	110.2	S193 Y194 Q198 V255 L256 E258	H179-S193 VanDerWaalsContact CA-OG 3.26Å; H179-S193 WeakPolarHBondContact CA-OG 3.4Å; H179-S193 PolarHBondContact ND1-OG 2.86Å; H179-Y194 HydrophobicContact CB-CD1 4.47Å; H179-Y194 HydrophobicContact CB-CE1 3.79Å; H179-Y194 HydrophobicContact CB-CE2 3.89Å; H179-Y194 VanDerWaalsContact CB-CZ 3.47Å; H179-Y194 AromaticContact CG-CE1 3.78Å; H179-Q198 VanDerWaalsContact CE1-C 3.46Å; H179-Q198 PolarHBondContact CE1-O 3.07Å; H179-Q198 VanDerWaalsContact CE1-O 3.32Å; H179-V255 CarbonylContact O-C 3.29Å; H179-V255 WeakPolarHBondContact O-CA 3.16Å; H179-L256 HydrophobicContact CB-CB 4.5Å; H179-L256 PolarHBondContact N-O 3.39Å; H179-L256 PolarHBondContact O-N 2.84Å; H179-E258 IonicContact CD2-OE1 3.04Å
180	F	98.1	Very high	96.6	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.6	173.3	75.1	-89.4	0	0	0	113.5	Y178 D191 S192 S193 Y200 F253 D254 V255	Y178-F180 HydrophobicContact CD2-CB 4.14Å; Y178-F180 AromaticContact CD2-CD1 3.97Å; Y178-F180 HydrophobicContact CD2-CD1 3.97Å; Y178-F180 HydrophobicContact CE2-CB 4.25Å; Y178-F180 AromaticContact CE2-CD1 3.6Å; Y178-F180 HydrophobicContact CE2-CD1 3.6Å; Y178-F180 HydrophobicContact CE2-CE1 4.34Å; Y178-F180 HydrophobicContact CE2-CG 4.23Å; F180-D191 HydrophobicContact CE2-CB 4.17Å; F180-D191 HydrophobicContact CZ-CB 4.42Å; F180-D191 WeakPolarHBondContact CZ-OD2 3.28Å; F180-S192 WeakPolarHBondContact O-CA 3.46Å; F180-S192 PolarHBondContact O-OG 2.81Å; F180-S193 PolarHBondContact N-OG 3.4Å; F180-S193 PolarHBondContact O-N 3.24Å; F180-S193 PolarHBondContact O-OG 3.46Å; F180-Y200 AromaticContact CE1-CD2 3.98Å; F180-Y200 HydrophobicContact CE1-CD2 3.98Å; F180-Y200 HydrophobicContact CE1-CG 4.09Å; F180-F253 HydrophobicContact CB-CD1 4.4Å; F180-F253 AromaticContact CD2-CD1 3.59Å; F180-F253 HydrophobicContact CD2-CD1 3.59Å; F180-F253 AromaticContact CD2-CE1 3.77Å; F180-F253 HydrophobicContact CD2-CE1 3.77Å; F180-F253 HydrophobicContact CE2-CD1 4.1Å; F180-F253 AromaticContact CE2-CE1 3.78Å; F180-F253 HydrophobicContact CE2-CE1 3.78Å; F180-F253 HydrophobicContact CG-CD1 4.16Å; F180-F253 HydrophobicContact CZ-CE1 4.49Å; F180-D254 CarbonylContact C-O 3.59Å; F180-D254 WeakPolarHBondContact CA-O 3.43Å; F180-V255 HydrophobicContact CB-CG2 4.34Å
181	N	98.3	Very high	96.5	Very high	65 Å²	65	42 Å²	42	35%	0.348	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.2	157.6	-68.8	-41.8	0	0	0	108.7	S192 Y194 F253 D254	N181-S192 WeakPolarHBondContact OD1-CB 3.5Å; N181-S192 PolarHBondContact OD1-OG 3.07Å; N181-Y194 WeakPolarHBondContact OD1-CD2 3.47Å; N181-F253 WeakPolarHBondContact O-CA 3.43Å; N181-D254 PolarHBondContact N-O 2.8Å; N181-D254 PolarHBondContact O-N 3.24Å
182	G	97.9	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.5	-180	0	0	0	0	0	111.7	T189 F190 D191 V252	G182-T189 WeakPolarHBondContact O-CA 3.49Å; G182-F190 WeakPolarHBondContact O-CD1 3.49Å; G182-F190 PolarHBondContact O-N 2.87Å; G182-D191 PolarHBondContact N-O 2.84Å; G182-V252 WeakPolarHBondContact CA-O 3Å
183	T	98.1	Very high	96.6	Very high	28 Å²	28	29 Å²	29	17%	0.172	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	157.4	176.3	62	0	0	0	0	111.5	T188 F190 V252	T183-T188 CarbonylContact C-O 3.6Å; T183-T188 VanDerWaalsContact CA-O 3.25Å; T183-T188 WeakPolarHBondContact CA-O 3.38Å; T183-F190 WeakPolarHBondContact O-CE1 3.32Å; T183-V252 PolarHBondContact N-O 3.41Å; T183-V252 PolarHBondContact O-N 3.5Å
184	L	97.4	Very high	96.6	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	169	163.4	-49.9	-174.2	0	0	0	109.6	D186 G187 T188 F190 P246 A249 L251	L184-D186 WeakPolarHBondContact CB-OD1 3.22Å; L184-D186 PolarHBondContact O-N 3.2Å; L184-G187 WeakPolarHBondContact O-CA 3.44Å; L184-G187 PolarHBondContact O-N 3.27Å; L184-T188 PolarHBondContact N-O 2.83Å; L184-F190 HydrophobicContact CD2-CD1 3.87Å; L184-F190 HydrophobicContact CD2-CE1 4.5Å; L184-P246 HydrophobicContact CD1-CG 3.99Å; L184-A249 HydrophobicContact CD2-CB 4.09Å; L184-L251 HydrophobicContact CD2-CD2 4.01Å
185	L	96	Very high	96.5	Very high	52 Å²	52	37.9 Å²	37.9	27%	0.272	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.2	178.1	-166.9	63.1	0	0	0	113.7	V110 G187 V229 T250 V252	V110-L185 HydrophobicContact CG1-CG 4.26Å; V110-L185 HydrophobicContact CG2-CD2 3.97Å; V110-L185 HydrophobicContact CG2-CG 4.34Å; L185-G187 PolarHBondContact O-N 3.4Å; L185-V229 HydrophobicContact CD1-CG1 4.36Å; L185-T250 HydrophobicContact CB-CG2 4.25Å; L185-T250 HydrophobicContact CD1-CG2 4.36Å; L185-T250 HydrophobicContact CD2-CG2 4.21Å; L185-T250 PolarHBondContact N-O 2.7Å; L185-V252 HydrophobicContact CD1-CG2 3.96Å
186	D	94.4	Very high	96.2	Very high	16 Å²	16	40.6 Å²	40.6	9%	0.086	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.8	168.8	53.4	58.4	0	0	0	113.9	R65 V110 N111 L146 L184 T188	R65-D186 IonicContact CZ-OD2 2.72Å; R65-D186 IonicContact NH1-OD2 3.97Å; R65-D186 PolarHBondContact NH1-OD2 3.11Å; R65-D186 IonicContact NH2-OD2 3.15Å; R65-D186 PolarHBondContact NH2-OD2 2.91Å; V110-D186 HydrophobicContact CG1-CB 4.49Å; N111-D186 PolarHBondContact ND2-O 3.08Å; N111-D186 WeakPolarHBondContact OD1-CA 3.4Å; N111-D186 VanDerWaalsContact OD1-CB 3.24Å; N111-D186 WeakPolarHBondContact OD1-CB 3.31Å; N111-D186 PolarHBondContact OD1-O 3.47Å; L146-D186 HydrophobicContact CB-CB 4.36Å; L146-D186 WeakPolarHBondContact O-CB 3.44Å; L146-D186 PolarHBondContact O-N 3.32Å; L184-D186 WeakPolarHBondContact CB-OD1 3.22Å; L184-D186 PolarHBondContact O-N 3.2Å; D186-T188 WeakPolarHBondContact OD1-CB 3.42Å; D186-T188 PolarHBondContact OD1-N 2.87Å; D186-T188 PolarHBondContact OD1-OG1 3.49Å
187	G	94.6	Very high	95.9	Very high	44 Å²	44	50.1 Å²	50.1	45%	0.454	26%	0.258	S	S	.	.			trans	89	-3.2	-179.6	0	0	0	0	0	114.9	L184 L185 T189	L184-G187 WeakPolarHBondContact O-CA 3.44Å; L184-G187 PolarHBondContact O-N 3.27Å; L185-G187 PolarHBondContact O-N 3.4Å; G187-T189 PolarHBondContact O-N 2.78Å
188	T	95.6	Very high	95.6	Very high	82 Å²	82	54.6 Å²	54.6	50%	0.503	28%	0.279	S	S	.	.			trans	-64.9	118.3	177.4	-54.6	0	0	0	0	111	T183 L184 D186	T183-T188 CarbonylContact C-O 3.6Å; T183-T188 VanDerWaalsContact CA-O 3.25Å; T183-T188 WeakPolarHBondContact CA-O 3.38Å; L184-T188 PolarHBondContact N-O 2.83Å; D186-T188 WeakPolarHBondContact OD1-CB 3.42Å; D186-T188 PolarHBondContact OD1-N 2.87Å; D186-T188 PolarHBondContact OD1-OG1 3.49Å
189	T	96.9	Very high	95.5	Very high	79 Å²	79	55.2 Å²	55.2	49%	0.485	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.6	177.9	-45.5	0	0	0	0	112	G182 G187	G182-T189 WeakPolarHBondContact O-CA 3.49Å; G187-T189 PolarHBondContact O-N 2.78Å
190	F	96.1	Very high	95.4	Very high	30 Å²	30	57.5 Å²	57.5	13%	0.132	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-31.7	176.7	66.8	-101.7	0	0	0	114.2	G182 T183 L184 M244 I245 L251 F253	G182-F190 WeakPolarHBondContact O-CD1 3.49Å; G182-F190 PolarHBondContact O-N 2.87Å; T183-F190 WeakPolarHBondContact O-CE1 3.32Å; L184-F190 HydrophobicContact CD2-CD1 3.87Å; L184-F190 HydrophobicContact CD2-CE1 4.5Å; F190-M244 HydrophobicContact CB-CB 4.04Å; F190-I245 HydrophobicContact CB-CG1 4.11Å; F190-I245 HydrophobicContact CD1-CG1 4.41Å; F190-I245 HydrophobicContact CD2-CD1 3.74Å; F190-I245 HydrophobicContact CD2-CG1 3.99Å; F190-I245 HydrophobicContact CE2-CD1 3.89Å; F190-I245 HydrophobicContact CG-CD1 4.15Å; F190-I245 HydrophobicContact CG-CG1 3.92Å; F190-I245 HydrophobicContact CZ-CD1 4.39Å; F190-L251 HydrophobicContact CD1-CD2 4.37Å; F190-L251 HydrophobicContact CE1-CB 4.36Å; F190-L251 HydrophobicContact CE1-CD2 3.8Å; F190-L251 HydrophobicContact CE1-CG 4.49Å; F190-L251 HydrophobicContact CZ-CD1 4.27Å; F190-L251 HydrophobicContact CZ-CD2 4.18Å; F190-F253 HydrophobicContact CE2-CE1 4.26Å; F190-F253 HydrophobicContact CE2-CZ 4.14Å; F190-F253 AromaticContact CZ-CE1 3.87Å; F190-F253 HydrophobicContact CZ-CE1 3.87Å; F190-F253 HydrophobicContact CZ-CE2 4.12Å; F190-F253 AromaticContact CZ-CZ 3.59Å; F190-F253 HydrophobicContact CZ-CZ 3.59Å
191	D	95.3	Very high	95.3	Very high	54 Å²	54	59.6 Å²	59.6	29%	0.289	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	158.4	173.4	-173.5	18.3	0	0	0	110.4	F180 G182 R196	F180-D191 HydrophobicContact CE2-CB 4.17Å; F180-D191 HydrophobicContact CZ-CB 4.42Å; F180-D191 WeakPolarHBondContact CZ-OD2 3.28Å; G182-D191 PolarHBondContact N-O 2.84Å; D191-R196 IonicContact OD1-CZ 3.54Å; D191-R196 IonicContact OD1-NE 2.76Å; D191-R196 PolarHBondContact OD1-NE 2.84Å; D191-R196 IonicContact OD1-NH2 3.68Å; D191-R196 IonicContact OD2-CZ 3.62Å; D191-R196 IonicContact OD2-NE 3.68Å; D191-R196 IonicContact OD2-NH2 2.75Å; D191-R196 PolarHBondContact OD2-NH2 3.33Å
192	S	96.8	Very high	95.1	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.028	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	130.5	170.1	172.6	0	0	0	0	109.6	F180 N181 Y194 N195	F180-S192 WeakPolarHBondContact O-CA 3.46Å; F180-S192 PolarHBondContact O-OG 2.81Å; N181-S192 WeakPolarHBondContact OD1-CB 3.5Å; N181-S192 PolarHBondContact OD1-OG 3.07Å; S192-Y194 PolarHBondContact O-N 2.79Å; S192-Y194 PolarHBondContact OG-N 3.13Å; S192-N195 PolarHBondContact O-N 2.78Å
193	S	97	Very high	95.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.3	174.7	68.3	0	0	0	0	112.6	H179 F180 N195 R196 K197 Q198	H179-S193 VanDerWaalsContact CA-OG 3.26Å; H179-S193 WeakPolarHBondContact CA-OG 3.4Å; H179-S193 PolarHBondContact ND1-OG 2.86Å; F180-S193 PolarHBondContact N-OG 3.4Å; F180-S193 PolarHBondContact O-N 3.24Å; F180-S193 PolarHBondContact O-OG 3.46Å; S193-N195 PolarHBondContact O-N 3.34Å; S193-R196 CarbonylContact O-C 3.57Å; S193-R196 WeakPolarHBondContact O-CA 3.34Å; S193-R196 PolarHBondContact O-N 2.84Å; S193-K197 PolarHBondContact O-N 2.89Å; S193-Q198 WeakPolarHBondContact CB-O 3.27Å; S193-Q198 PolarHBondContact O-N 2.98Å
194	Y	95.1	Very high	95	Very high	103 Å²	103	58 Å²	58	40%	0.404	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-38.2	178.2	-63	-80.5	0	0	0	111.5	H179 N181 S192 R196 K197	H179-Y194 HydrophobicContact CB-CD1 4.47Å; H179-Y194 HydrophobicContact CB-CE1 3.79Å; H179-Y194 HydrophobicContact CB-CE2 3.89Å; H179-Y194 VanDerWaalsContact CB-CZ 3.47Å; H179-Y194 AromaticContact CG-CE1 3.78Å; N181-Y194 WeakPolarHBondContact OD1-CD2 3.47Å; S192-Y194 PolarHBondContact O-N 2.79Å; S192-Y194 PolarHBondContact OG-N 3.13Å; Y194-R196 PolarHBondContact O-N 3.34Å; Y194-K197 PolarHBondContact O-N 3.06Å
195	N	93.6	Very high	94.8	Very high	136 Å²	136	58.6 Å²	58.6	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.7	173.2	-69.5	-15	0	0	0	112.1	S192 S193	S192-N195 PolarHBondContact O-N 2.78Å; S193-N195 PolarHBondContact O-N 3.34Å
196	R	91.5	Very high	94.6	Very high	88 Å²	88	60.2 Å²	60.2	33%	0.332	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.1	178	-60.1	-171.9	-89.6	121.8	-13.3	113.2	D191 S193 Y194 Q198	D191-R196 IonicContact OD1-CZ 3.54Å; D191-R196 IonicContact OD1-NE 2.76Å; D191-R196 PolarHBondContact OD1-NE 2.84Å; D191-R196 IonicContact OD1-NH2 3.68Å; D191-R196 IonicContact OD2-CZ 3.62Å; D191-R196 IonicContact OD2-NE 3.68Å; D191-R196 IonicContact OD2-NH2 2.75Å; D191-R196 PolarHBondContact OD2-NH2 3.33Å; S193-R196 CarbonylContact O-C 3.57Å; S193-R196 WeakPolarHBondContact O-CA 3.34Å; S193-R196 PolarHBondContact O-N 2.84Å; Y194-R196 PolarHBondContact O-N 3.34Å; R196-Q198 HydrophobicContact CB-CG 3.85Å; R196-Q198 PolarHBondContact O-N 3.32Å
197	K	89.9	Confident	94.5	Very high	200 Å²	200	62.2 Å²	62.2	87%	0.87	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	29.1	-177.7	-57.8	-175.4	179.1	-177.9	0	114.8	S193 Y194	S193-K197 PolarHBondContact O-N 2.89Å; Y194-K197 PolarHBondContact O-N 3.06Å
198	Q	91	Very high	94.5	Very high	110 Å²	110	68.8 Å²	68.8	51%	0.514	34%	0.344	S	S	.	.	S	Bend	trans	-141	153.7	179.7	58.3	171.5	104.8	0	0	109.7	H179 S193 R196	H179-Q198 VanDerWaalsContact CE1-C 3.46Å; H179-Q198 PolarHBondContact CE1-O 3.07Å; H179-Q198 VanDerWaalsContact CE1-O 3.32Å; S193-Q198 WeakPolarHBondContact CB-O 3.27Å; S193-Q198 PolarHBondContact O-N 2.98Å; R196-Q198 HydrophobicContact CB-CG 3.85Å; R196-Q198 PolarHBondContact O-N 3.32Å
199	T	94.6	Very high	94.5	Very high	19 Å²	19	65.9 Å²	65.9	12%	0.117	33%	0.325	C	S	.	.			trans	-67.8	158.8	167.2	48.7	0	0	0	0	110.8	R177 Y178 N201 E258	R177-T199 HydrophobicContact CB-CG2 4.31Å; Y178-T199 WeakPolarHBondContact O-CA 3.26Å; T199-N201 WeakPolarHBondContact CB-OD1 3.31Å; T199-N201 PolarHBondContact OG1-OD1 2.81Å; T199-E258 HydrophobicContact CG2-CB 4.34Å; T199-E258 HydrophobicContact CG2-CG 3.98Å
200	Y	95.8	Very high	94.4	Very high	81 Å²	81	63.4 Å²	63.4	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133	158.2	-163.3	-83.1	0	0	0	108.7	R177 Y178 F180 L209	R177-Y200 WeakPolarHBondContact CA-O 3.27Å; Y178-Y200 AromaticContact CE1-CD1 3.97Å; Y178-Y200 HydrophobicContact CE1-CD1 3.97Å; Y178-Y200 HydrophobicContact CE2-CD1 4.3Å; Y178-Y200 HydrophobicContact CE2-CG 4.35Å; Y178-Y200 AromaticContact CZ-CD1 3.58Å; Y178-Y200 PolarHBondContact N-O 3.42Å; Y178-Y200 PolarHBondContact O-N 3.03Å; Y178-Y200 VanDerWaalsContact OH-CD1 3.22Å; Y178-Y200 WeakPolarHBondContact OH-CD1 3.47Å; F180-Y200 AromaticContact CE1-CD2 3.98Å; F180-Y200 HydrophobicContact CE1-CD2 3.98Å; F180-Y200 HydrophobicContact CE1-CG 4.09Å; Y200-L209 HydrophobicContact CD1-CD2 4.39Å; Y200-L209 HydrophobicContact CE1-CD2 3.61Å
201	N	95	Very high	94.5	Very high	52 Å²	52	69.1 Å²	69.1	28%	0.278	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	-171.4	-62.5	9.3	0	0	0	108.5	F175 V176 T199	F175-N201 HydrophobicContact CE1-CB 4.02Å; F175-N201 HydrophobicContact CZ-CB 3.74Å; V176-N201 WeakPolarHBondContact O-CA 3.25Å; T199-N201 WeakPolarHBondContact CB-OD1 3.31Å; T199-N201 PolarHBondContact OG1-OD1 2.81Å
202	S	95.5	Very high	94.6	Very high	12 Å²	12	66.6 Å²	66.6	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	168.9	-177.9	-145.9	0	0	0	0	114.1	F175 V176 W208	F175-S202 CarbonylContact C-O 3.6Å; F175-S202 WeakPolarHBondContact CA-O 3.36Å; V176-S202 PolarHBondContact N-O 3.4Å; V176-S202 PolarHBondContact O-N 2.86Å; V176-S202 VanDerWaalsContact O-N 3.09Å; S202-W208 WeakPolarHBondContact OG-CB 3.26Å
203	L	95.9	Very high	94.6	Very high	48 Å²	48	66.6 Å²	66.6	25%	0.251	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.6	172.5	-69	168.9	0	0	0	110.3	D174 F175 E206 P263	D174-L203 WeakPolarHBondContact O-CA 3.4Å; F175-L203 HydrophobicContact CB-CD2 3.84Å; F175-L203 HydrophobicContact CD2-CD2 4.03Å; F175-L203 HydrophobicContact CD2-CG 4.31Å; F175-L203 HydrophobicContact CG-CD2 4.43Å; L203-E206 HydrophobicContact CB-CB 4.49Å; L203-P263 HydrophobicContact CD2-CG 3.8Å
204	V	97.1	Very high	94.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	131.1	-174.3	179.3	0	0	0	0	112.1	V170 R172 T173 D174 V176 E206 L217 L218	V170-V204 HydrophobicContact CG1-CB 3.98Å; V170-V204 HydrophobicContact CG1-CG1 3.9Å; V170-V204 HydrophobicContact CG1-CG2 3.88Å; R172-V204 WeakPolarHBondContact CA-O 3.24Å; T173-V204 PolarHBondContact N-O 3.3Å; D174-V204 PolarHBondContact O-N 2.99Å; V176-V204 HydrophobicContact CB-CG2 4.25Å; V176-V204 HydrophobicContact CG1-CG2 3.6Å; V176-V204 HydrophobicContact CG2-CG2 3.54Å; V204-E206 VanDerWaalsContact C-N 3.32Å; V204-L217 HydrophobicContact CG1-CB 4.22Å; V204-L217 HydrophobicContact CG2-CB 4.2Å; V204-L217 HydrophobicContact CG2-CD1 3.91Å; V204-L218 HydrophobicContact CG1-CD2 3.96Å; V204-L218 HydrophobicContact CG1-CG 4.04Å
205	G	93.2	Very high	94.8	Very high	20 Å²	20	66.4 Å²	66.4	21%	0.206	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	9.8	174.9	0	0	0	0	0	114.8	R172 D214	R172-G205 PolarHBondContact NE-O 2.81Å; G205-D214 VanDerWaalsContact CA-CG 3.49Å; G205-D214 WeakPolarHBondContact CA-OD2 3.27Å; G205-D214 PolarHBondContact N-OD1 3.17Å
206	E	92.4	Very high	95	Very high	86 Å²	86	60 Å²	60	40%	0.402	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	9.2	174.9	-65.7	-59.9	107.4	0	0	112.7	R172 T173 L203 V204	R172-E206 IonicContact CZ-OE1 3.51Å; R172-E206 IonicContact NE-OE1 3.35Å; R172-E206 PolarHBondContact NE-OE1 2.91Å; R172-E206 IonicContact NH2-OE1 3.32Å; R172-E206 PolarHBondContact NH2-OE1 2.69Å; R172-E206 IonicContact NH2-OE2 3.51Å; T173-E206 HydrophobicContact CG2-CG 4.15Å; L203-E206 HydrophobicContact CB-CB 4.49Å; V204-E206 VanDerWaalsContact C-N 3.32Å
207	G	92.3	Very high	95.3	Very high	58 Å²	58	55.8 Å²	55.8	60%	0.598	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	11.8	173.2	0	0	0	0	0	115.8	L209 D214	G207-L209 VanDerWaalsContact C-N 3.25Å; G207-D214 WeakPolarHBondContact CA-OD2 3.38Å; G207-D214 PolarHBondContact N-OD2 2.83Å
208	W	93	Very high	95.6	Very high	182 Å²	182	49.7 Å²	49.7	69%	0.689	25%	0.251	S	S	*	.	S	Bend	trans	-73.7	-18.7	171	-67	95.4	0	0	0	113	S202	S202-W208 WeakPolarHBondContact OG-CB 3.26Å
209	L	95.6	Very high	95.9	Very high	21 Å²	21	46 Å²	46	11%	0.11	24%	0.243	C	C	.	.	S	Bend	trans	-106.5	167.9	177.7	-59.2	177	0	0	0	111.1	Y200 G207 M213 L217	Y200-L209 HydrophobicContact CD1-CD2 4.39Å; Y200-L209 HydrophobicContact CE1-CD2 3.61Å; G207-L209 VanDerWaalsContact C-N 3.25Å; L209-M213 HydrophobicContact CB-CB 4.16Å; L209-M213 HydrophobicContact CD1-CB 4.35Å; L209-M213 HydrophobicContact CD1-CG 4.02Å; L209-L217 HydrophobicContact CD1-CD1 3.45Å; L209-L217 VanDerWaalsContact CD1-CD1 3.45Å
210	V	96.4	Very high	96	Very high	28 Å²	28	45.1 Å²	45.1	17%	0.17	24%	0.237	C	C	.	.			trans	-62.1	141.1	162	-64.9	0	0	0	0	109.2	G212 M213 D214 I230 Y236	V210-G212 PolarHBondContact O-N 3.2Å; V210-M213 HydrophobicContact CG2-CB 3.81Å; V210-M213 WeakPolarHBondContact O-CA 3.46Å; V210-M213 WeakPolarHBondContact O-CB 3.42Å; V210-M213 PolarHBondContact O-N 2.76Å; V210-D214 PolarHBondContact O-N 2.92Å; V210-I230 HydrophobicContact CG2-CD1 4.3Å; V210-Y236 HydrophobicContact CG1-CD1 4.42Å; V210-Y236 HydrophobicContact CG1-CD2 4.43Å; V210-Y236 HydrophobicContact CG1-CE1 3.9Å; V210-Y236 HydrophobicContact CG1-CE2 3.91Å
211	K	97.1	Very high	96	Very high	150 Å²	150	41.8 Å²	41.8	65%	0.652	23%	0.226	S	C	*	.	H	α-helix	trans	-51.4	-38.4	-170.8	-64.8	-179.2	179.5	179.1	0	113.5	M213 D214 E215 K234	K211-M213 VanDerWaalsContact C-N 3.29Å; K211-M213 PolarHBondContact O-N 3.4Å; K211-D214 WeakPolarHBondContact O-CB 3.4Å; K211-D214 PolarHBondContact O-N 3.42Å; K211-E215 WeakPolarHBondContact O-CG 3.39Å; K211-E215 PolarHBondContact O-N 2.87Å; K211-K234 PolarHBondContact N-O 3.39Å
212	G	97.5	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-20.7	179.9	0	0	0	0	0	115.1	V155 V210 G216 I230 K234	V155-G212 VanDerWaalsContact CG2-CA 3.4Å; V210-G212 PolarHBondContact O-N 3.2Å; G212-G216 PolarHBondContact O-N 2.8Å; G212-I230 VanDerWaalsContact C-CD1 3.44Å; G212-K234 PolarHBondContact N-O 2.64Å
213	M	97.9	Very high	95.9	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-83.5	-39	174.4	-164.9	75.7	-176.8	0	0	110.6	Y178 L209 V210 K211 E215 G216 L217 I228 I230 F253 V255	Y178-M213 HydrophobicContact CD2-CE 4.3Å; Y178-M213 HydrophobicContact CE2-CE 3.56Å; L209-M213 HydrophobicContact CB-CB 4.16Å; L209-M213 HydrophobicContact CD1-CB 4.35Å; L209-M213 HydrophobicContact CD1-CG 4.02Å; V210-M213 HydrophobicContact CG2-CB 3.81Å; V210-M213 WeakPolarHBondContact O-CA 3.46Å; V210-M213 WeakPolarHBondContact O-CB 3.42Å; V210-M213 PolarHBondContact O-N 2.76Å; K211-M213 VanDerWaalsContact C-N 3.29Å; K211-M213 PolarHBondContact O-N 3.4Å; M213-E215 VanDerWaalsContact C-N 3.25Å; M213-E215 PolarHBondContact O-N 3.1Å; M213-G216 PolarHBondContact O-N 2.91Å; M213-L217 HydrophobicContact CE-CD1 4.1Å; M213-L217 HydrophobicContact CE-CD2 3.88Å; M213-L217 HydrophobicContact CE-CG 3.95Å; M213-L217 HydrophobicContact CG-CD1 3.92Å; M213-L217 HydrophobicContact CG-CG 4.22Å; M213-L217 WeakPolarHBondContact O-CB 3.28Å; M213-L217 WeakPolarHBondContact O-CG 3.41Å; M213-L217 PolarHBondContact O-N 2.95Å; M213-I228 HydrophobicContact CE-CD1 4.25Å; M213-I228 HydrophobicContact SD-CD1 4.13Å; M213-I230 HydrophobicContact CB-CD1 4.15Å; M213-I230 HydrophobicContact SD-CD1 4.44Å; M213-F253 HydrophobicContact CE-CD1 4.5Å; M213-F253 HydrophobicContact SD-CB 4.35Å; M213-F253 HydrophobicContact SD-CD1 4.32Å; M213-F253 HydrophobicContact SD-CD2 4.1Å; M213-F253 HydrophobicContact SD-CE2 4.43Å; M213-F253 HydrophobicContact SD-CG 4.03Å; M213-V255 HydrophobicContact CE-CG1 4.42Å; M213-V255 HydrophobicContact CE-CG2 3.54Å
214	D	97.3	Very high	95.9	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-54.5	-42.6	166.6	-96.5	-7.2	0	0	0	111.2	G205 G207 V210 K211 L218	G205-D214 VanDerWaalsContact CA-CG 3.49Å; G205-D214 WeakPolarHBondContact CA-OD2 3.27Å; G205-D214 PolarHBondContact N-OD1 3.17Å; G207-D214 WeakPolarHBondContact CA-OD2 3.38Å; G207-D214 PolarHBondContact N-OD2 2.83Å; V210-D214 PolarHBondContact O-N 2.92Å; K211-D214 WeakPolarHBondContact O-CB 3.4Å; K211-D214 PolarHBondContact O-N 3.42Å; D214-L218 WeakPolarHBondContact O-CD1 3.4Å; D214-L218 WeakPolarHBondContact O-CG 3.38Å
215	E	97.6	Very high	95.9	Very high	85 Å²	85	41.7 Å²	41.7	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-70.5	-43.6	174.2	-73.5	175	-150.6	0	0	113.2	V155 K211 M213 K234	V155-E215 HydrophobicContact CB-CB 4.45Å; V155-E215 HydrophobicContact CG2-CB 4.02Å; V155-E215 VanDerWaalsContact CG2-OE2 3.3Å; V155-E215 WeakPolarHBondContact CG2-OE2 3.25Å; K211-E215 WeakPolarHBondContact O-CG 3.39Å; K211-E215 PolarHBondContact O-N 2.87Å; M213-E215 VanDerWaalsContact C-N 3.25Å; M213-E215 PolarHBondContact O-N 3.1Å; E215-K234 IonicContact OE1-NZ 3.4Å; E215-K234 PolarHBondContact OE1-NZ 3.42Å; E215-K234 IonicContact OE2-NZ 2.91Å; E215-K234 PolarHBondContact OE2-NZ 2.89Å
216	G	97.4	Very high	96.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-76.5	-28.5	-171	0	0	0	0	0	115.6	G212 M213 R226	G212-G216 PolarHBondContact O-N 2.8Å; M213-G216 PolarHBondContact O-N 2.91Å; G216-R226 WeakPolarHBondContact O-CD 3.3Å; G216-R226 PolarHBondContact O-NH1 3.44Å
217	L	98.1	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-74	-25.3	176.5	-74.6	170.7	0	0	0	113.2	V170 V176 Y178 V204 L209 M213 G219 M220 V255	V170-L217 WeakPolarHBondContact CB-O 3.19Å; V176-L217 HydrophobicContact CG2-CD1 4.32Å; Y178-L217 HydrophobicContact CD1-CD1 4.4Å; Y178-L217 HydrophobicContact CD1-CD2 4.27Å; Y178-L217 HydrophobicContact CE1-CD1 3.79Å; Y178-L217 HydrophobicContact CE1-CD2 4.36Å; V204-L217 HydrophobicContact CG1-CB 4.22Å; V204-L217 HydrophobicContact CG2-CB 4.2Å; V204-L217 HydrophobicContact CG2-CD1 3.91Å; L209-L217 HydrophobicContact CD1-CD1 3.45Å; L209-L217 VanDerWaalsContact CD1-CD1 3.45Å; M213-L217 HydrophobicContact CE-CD1 4.1Å; M213-L217 HydrophobicContact CE-CD2 3.88Å; M213-L217 HydrophobicContact CE-CG 3.95Å; M213-L217 HydrophobicContact CG-CD1 3.92Å; M213-L217 HydrophobicContact CG-CG 4.22Å; M213-L217 WeakPolarHBondContact O-CB 3.28Å; M213-L217 WeakPolarHBondContact O-CG 3.41Å; M213-L217 PolarHBondContact O-N 2.95Å; L217-G219 PolarHBondContact O-N 3.41Å; L217-M220 HydrophobicContact CD2-SD 3.73Å; L217-M220 WeakPolarHBondContact O-CB 3.35Å; L217-M220 WeakPolarHBondContact O-CG 3.04Å; L217-M220 PolarHBondContact O-N 2.95Å; L217-V255 HydrophobicContact CD2-CG1 4.03Å
218	L	97.3	Very high	96.7	Very high	72 Å²	72	36.7 Å²	36.7	38%	0.377	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	135.1	-177.9	-75.8	166.5	0	0	0	111.4	R172 V204 D214 M220 R226	R172-L218 HydrophobicContact CB-CD2 4.42Å; V204-L218 HydrophobicContact CG1-CD2 3.96Å; V204-L218 HydrophobicContact CG1-CG 4.04Å; D214-L218 WeakPolarHBondContact O-CD1 3.4Å; D214-L218 WeakPolarHBondContact O-CG 3.38Å; L218-M220 VanDerWaalsContact C-N 3.27Å; L218-M220 PolarHBondContact O-N 3Å; L218-R226 PolarHBondContact O-NH1 3.18Å
219	G	96	Very high	96.9	Very high	34 Å²	34	29.4 Å²	29.4	35%	0.351	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	18.6	-176.5	0	0	0	0	0	114.7	V170 L217 R226	V170-G219 PolarHBondContact O-N 2.8Å; L217-G219 PolarHBondContact O-N 3.41Å; G219-R226 PolarHBondContact O-NH2 3.42Å
220	M	97	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-73.3	139.6	165.1	-79.5	-169	74.9	0	0	111.4	S169 V170 L217 L218 E224 R226 V255 L257	S169-M220 CarbonylContact C-O 3.49Å; S169-M220 WeakPolarHBondContact CA-O 3.47Å; S169-M220 WeakPolarHBondContact CB-O 3.2Å; V170-M220 HydrophobicContact CG2-CB 4.05Å; V170-M220 PolarHBondContact N-O 2.8Å; L217-M220 HydrophobicContact CD2-SD 3.73Å; L217-M220 WeakPolarHBondContact O-CB 3.35Å; L217-M220 WeakPolarHBondContact O-CG 3.04Å; L217-M220 PolarHBondContact O-N 2.95Å; L218-M220 VanDerWaalsContact C-N 3.27Å; L218-M220 PolarHBondContact O-N 3Å; M220-E224 VanDerWaalsContact CA-OE2 3.31Å; M220-E224 WeakPolarHBondContact CA-OE2 3.33Å; M220-E224 HydrophobicContact CE-CB 4.03Å; M220-E224 HydrophobicContact CE-CG 4.28Å; M220-E224 WeakPolarHBondContact CE-O 3.38Å; M220-R226 HydrophobicContact CE-CB 3.62Å; M220-R226 HydrophobicContact CG-CB 4.32Å; M220-R226 VanDerWaalsContact CG-NE 3.33Å; M220-R226 HydrophobicContact SD-CB 3.89Å; M220-V255 HydrophobicContact CE-CB 4.34Å; M220-V255 HydrophobicContact CE-CG1 4.09Å; M220-V255 HydrophobicContact SD-CB 4.43Å; M220-V255 HydrophobicContact SD-CG1 4.07Å; M220-L257 HydrophobicContact CB-CD2 3.52Å; M220-L257 HydrophobicContact CE-CB 3.72Å; M220-L257 HydrophobicContact SD-CB 4.49Å
221	C	95.6	Very high	97.1	Very high	11 Å²	11	27.4 Å²	27.4	7%	0.074	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-88.5	149.5	169.7	-57.6	0	0	0	0	111.3	T162 C166 G223 E224 L257	T162-C221 HydrophobicContact CG2-CB 3.84Å; C166-C221 HydrophobicContact CB-CB 3.69Å; C166-C221 WeakPolarHBondContact CB-SG 3.35Å; C166-C221 WeakPolarHBondContact SG-CB 3.39Å; C166-C221 CovalentContact SG-SG 2.02Å; C166-C221 PolarHBondContact SG-SG 2.84Å; C221-G223 PolarHBondContact O-N 3.01Å; C221-E224 HydrophobicContact CB-CB 4.17Å; C221-E224 PolarHBondContact N-OE2 2.7Å; C221-E224 WeakPolarHBondContact O-CB 3.36Å; C221-E224 PolarHBondContact O-N 2.94Å; C221-L257 WeakPolarHBondContact O-CD2 3.48Å
222	V	95.3	Very high	97.2	Very high	22 Å²	22	20.2 Å²	20.2	13%	0.133	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	136.5	169.8	176.5	0	0	0	0	109.6	P163 E224 E258 I260 L297 N298	P163-V222 WeakPolarHBondContact CG-O 3.38Å; V222-E224 PolarHBondContact O-N 3.4Å; V222-E258 VanDerWaalsContact CG1-O 3.3Å; V222-E258 WeakPolarHBondContact CG1-O 3.46Å; V222-I260 HydrophobicContact CG2-CB 4.29Å; V222-I260 HydrophobicContact CG2-CD1 3.9Å; V222-I260 HydrophobicContact CG2-CG1 3.67Å; V222-I260 HydrophobicContact CG2-CG2 3.98Å; V222-L297 HydrophobicContact CB-CB 4.46Å; V222-L297 HydrophobicContact CG1-CB 3.94Å; V222-L297 HydrophobicContact CG2-CB 4.24Å; V222-L297 HydrophobicContact CG2-CD1 4.27Å; V222-N298 HydrophobicContact CG1-CB 3.97Å
223	G	93.8	Very high	97.1	Very high	21 Å²	21	24.4 Å²	24.4	22%	0.216	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	3.7	-171	0	0	0	0	0	114.8	P163 C221 L257	P163-G223 VanDerWaalsContact CD-C 3.47Å; P163-G223 WeakPolarHBondContact CD-O 3.19Å; P163-G223 VanDerWaalsContact CG-C 3.46Å; P163-G223 WeakPolarHBondContact CG-O 3.44Å; C221-G223 PolarHBondContact O-N 3.01Å; G223-L257 WeakPolarHBondContact CA-O 3.31Å; G223-L257 PolarHBondContact N-O 3.25Å
224	E	95.8	Very high	97.1	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.019	14%	0.142	C	C	.	.			trans	-72.7	134.7	173.5	-170.5	-175.2	148.7	0	0	111.2	T159 S161 M220 C221 V222 R226 L256 L257	T159-E224 WeakPolarHBondContact CB-OE1 3.27Å; T159-E224 HydrophobicContact CG2-CG 3.66Å; T159-E224 WeakPolarHBondContact CG2-OE1 3.35Å; T159-E224 PolarHBondContact OG1-OE1 2.73Å; S161-E224 VanDerWaalsContact O-CA 3.31Å; S161-E224 WeakPolarHBondContact O-CA 3.29Å; S161-E224 WeakPolarHBondContact O-CG 3.33Å; M220-E224 VanDerWaalsContact CA-OE2 3.31Å; M220-E224 WeakPolarHBondContact CA-OE2 3.33Å; M220-E224 HydrophobicContact CE-CB 4.03Å; M220-E224 HydrophobicContact CE-CG 4.28Å; M220-E224 WeakPolarHBondContact CE-O 3.38Å; C221-E224 HydrophobicContact CB-CB 4.17Å; C221-E224 PolarHBondContact N-OE2 2.7Å; C221-E224 WeakPolarHBondContact O-CB 3.36Å; C221-E224 PolarHBondContact O-N 2.94Å; V222-E224 PolarHBondContact O-N 3.4Å; E224-R226 IonicContact OE1-CZ 3.85Å; E224-R226 VanDerWaalsContact OE1-CZ 3.25Å; E224-R226 IonicContact OE1-NE 3.65Å; E224-R226 PolarHBondContact OE1-NE 3.13Å; E224-R226 IonicContact OE1-NH2 2.71Å; E224-R226 PolarHBondContact OE1-NH2 2.83Å; E224-R226 IonicContact OE2-NH2 3.34Å; E224-R226 PolarHBondContact OE2-NH2 3.04Å; E224-L256 WeakPolarHBondContact O-CA 3.25Å; E224-L257 PolarHBondContact O-N 2.62Å; E224-L257 VanDerWaalsContact O-N 3.1Å
225	I	97.1	Very high	97.1	Very high	62 Å²	62	26.1 Å²	26.1	32%	0.318	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.1	163.8	-56.5	177.3	0	0	0	108.4	V160 S161 V255 L256	V160-I225 HydrophobicContact CB-CB 4.18Å; V160-I225 HydrophobicContact CB-CG2 3.93Å; V160-I225 HydrophobicContact CG1-CG2 4.42Å; V160-I225 HydrophobicContact CG2-CG2 4.23Å; V160-I225 PolarHBondContact N-O 2.74Å; S161-I225 PolarHBondContact N-O 3.03Å; S161-I225 PolarHBondContact O-N 2.92Å; I225-V255 CarbonylContact C-O 3.58Å; I225-V255 VanDerWaalsContact CA-O 3.22Å; I225-V255 WeakPolarHBondContact CA-O 3.36Å; I225-L256 HydrophobicContact CG1-CB 4.4Å; I225-L256 HydrophobicContact CG1-CD1 3.92Å
226	R	98	Very high	97	Very high	19 Å²	19	26.9 Å²	26.9	7%	0.072	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.8	-179.6	-175.6	177.9	-70.5	-174.1	2.8	111.5	G216 L218 G219 M220 E224 I228 V255	G216-R226 WeakPolarHBondContact O-CD 3.3Å; G216-R226 PolarHBondContact O-NH1 3.44Å; L218-R226 PolarHBondContact O-NH1 3.18Å; G219-R226 PolarHBondContact O-NH2 3.42Å; M220-R226 HydrophobicContact CE-CB 3.62Å; M220-R226 HydrophobicContact CG-CB 4.32Å; M220-R226 VanDerWaalsContact CG-NE 3.33Å; M220-R226 HydrophobicContact SD-CB 3.89Å; E224-R226 IonicContact OE1-CZ 3.85Å; E224-R226 VanDerWaalsContact OE1-CZ 3.25Å; E224-R226 IonicContact OE1-NE 3.65Å; E224-R226 PolarHBondContact OE1-NE 3.13Å; E224-R226 IonicContact OE1-NH2 2.71Å; E224-R226 PolarHBondContact OE1-NH2 2.83Å; E224-R226 IonicContact OE2-NH2 3.34Å; E224-R226 PolarHBondContact OE2-NH2 3.04Å; R226-I228 HydrophobicContact CG-CG1 3.94Å; R226-V255 PolarHBondContact N-O 2.89Å; R226-V255 PolarHBondContact O-N 2.97Å
227	H	98.1	Very high	97	Very high	40 Å²	40	27.7 Å²	27.7	19%	0.185	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130	169.9	-173.3	85.4	0	0	0	109.1	T157 R158 V160 V252 F253 D254	T157-H227 CarbonylContact C-O 3.55Å; T157-H227 WeakPolarHBondContact CA-O 3.34Å; R158-H227 HydrophobicContact CB-CB 4.36Å; R158-H227 PolarHBondContact N-O 2.71Å; R158-H227 WeakPolarHBondContact O-CB 3.35Å; R158-H227 PolarHBondContact O-N 3.32Å; V160-H227 HydrophobicContact CG2-CB 4.18Å; H227-V252 WeakPolarHBondContact CE1-CG1 3.38Å; H227-F253 CarbonylContact C-O 3.57Å; H227-F253 WeakPolarHBondContact CA-O 3.46Å; H227-D254 IonicContact CE1-OD1 2.73Å; H227-D254 IonicContact CG-OD1 2.71Å; H227-D254 IonicContact ND1-OD1 3.51Å; H227-D254 PolarHBondContact ND1-OD1 3.24Å; H227-D254 IonicContact ND1-OD2 3.37Å
228	I	98.5	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.9	-174.6	-48.5	177.4	0	0	0	109.1	V155 T157 M213 R226 I230 V252 F253 V255	V155-I228 HydrophobicContact CG1-CG2 3.57Å; T157-I228 HydrophobicContact CG2-CG1 4.36Å; T157-I228 HydrophobicContact CG2-CG2 4.29Å; M213-I228 HydrophobicContact CE-CD1 4.25Å; M213-I228 HydrophobicContact SD-CD1 4.13Å; R226-I228 HydrophobicContact CG-CG1 3.94Å; I228-I230 HydrophobicContact CG2-CD1 4.3Å; I228-I230 HydrophobicContact CG2-CG1 3.94Å; I228-V252 CarbonylContact O-C 3.6Å; I228-V252 WeakPolarHBondContact O-CA 3.01Å; I228-F253 HydrophobicContact CB-CB 4.38Å; I228-F253 PolarHBondContact N-O 2.97Å; I228-F253 PolarHBondContact O-N 2.65Å; I228-V255 HydrophobicContact CD1-CG2 3.75Å; I228-V255 HydrophobicContact CG1-CG2 4.34Å
229	V	98	Very high	96.6	Very high	30 Å²	30	40.8 Å²	40.8	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124	174.5	-173.7	0	0	0	0	109.4	V155 V156 L185 T250 L251 V252	V155-V229 WeakPolarHBondContact CA-O 3.47Å; V156-V229 HydrophobicContact CB-CB 4.33Å; V156-V229 PolarHBondContact N-O 3.08Å; V156-V229 PolarHBondContact O-N 3.24Å; L185-V229 HydrophobicContact CD1-CG1 4.36Å; V229-T250 HydrophobicContact CG1-CG2 3.62Å; V229-L251 WeakPolarHBondContact CA-O 3.3Å; V229-V252 HydrophobicContact CG1-CG2 4.35Å; V229-V252 HydrophobicContact CG2-CG2 4.33Å
230	I	98.5	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.2	-172.8	-58.2	172.1	0	0	0	109.6	V155 V210 G212 M213 I228 K234 A235 T250 L251 F253	V155-I230 HydrophobicContact CG1-CG1 4.4Å; V155-I230 HydrophobicContact CG2-CG1 4.49Å; V210-I230 HydrophobicContact CG2-CD1 4.3Å; G212-I230 VanDerWaalsContact C-CD1 3.44Å; M213-I230 HydrophobicContact CB-CD1 4.15Å; M213-I230 HydrophobicContact SD-CD1 4.44Å; I228-I230 HydrophobicContact CG2-CD1 4.3Å; I228-I230 HydrophobicContact CG2-CG1 3.94Å; I230-K234 HydrophobicContact CG2-CB 3.76Å; I230-A235 HydrophobicContact CG2-CB 3.89Å; I230-T250 WeakPolarHBondContact O-CA 3.16Å; I230-T250 WeakPolarHBondContact O-CG2 3.29Å; I230-L251 HydrophobicContact CB-CB 4.43Å; I230-L251 PolarHBondContact N-O 3.16Å; I230-L251 PolarHBondContact O-N 3.22Å; I230-F253 HydrophobicContact CD1-CD2 3.84Å; I230-F253 HydrophobicContact CD1-CE2 3.85Å
231	P	97.9	Very high	96.6	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.039	22%	0.217	C	C	.	.			trans	-67.3	155.4	178	29.1	-35.2	0	0	0	111.2	D153 L154 F233 K234 A235	D153-P231 HydrophobicContact CB-CB 4.21Å; D153-P231 HydrophobicContact CB-CG 4.3Å; L154-P231 WeakPolarHBondContact O-CD 3.46Å; P231-F233 VanDerWaalsContact C-N 3.29Å; P231-F233 HydrophobicContact CB-CD1 4.33Å; P231-F233 HydrophobicContact CB-CE1 3.74Å; P231-F233 HydrophobicContact CB-CZ 3.97Å; P231-F233 HydrophobicContact CG-CE1 4.13Å; P231-F233 HydrophobicContact CG-CE2 4.26Å; P231-F233 HydrophobicContact CG-CZ 3.84Å; P231-F233 PolarHBondContact O-N 3.44Å; P231-K234 HydrophobicContact CG-CD 4.48Å; P231-K234 HydrophobicContact CG-CG 4.44Å; P231-K234 PolarHBondContact O-N 3.45Å; P231-A235 PolarHBondContact O-N 2.66Å
232	P	97.6	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.3	-35.1	-160.3	-22.2	29.8	0	0	0	114.4	W149 K234 A235 Y236 G237 Q248 A249	W149-P232 HydrophobicContact CD2-CG 3.73Å; W149-P232 HydrophobicContact CE3-CG 4.24Å; W149-P232 HydrophobicContact CG-CG 3.9Å; W149-P232 HydrophobicContact CZ2-CG 4.44Å; P232-K234 PolarHBondContact O-N 2.84Å; P232-A235 CarbonylContact O-C 3.48Å; P232-A235 VanDerWaalsContact O-C 3.28Å; P232-A235 WeakPolarHBondContact O-CA 3.22Å; P232-A235 PolarHBondContact O-N 3.47Å; P232-Y236 PolarHBondContact O-N 2.78Å; P232-G237 VanDerWaalsContact O-CA 3.27Å; P232-G237 WeakPolarHBondContact O-CA 3.45Å; P232-G237 PolarHBondContact O-N 3.25Å; P232-Q248 HydrophobicContact CB-CB 4.29Å; P232-Q248 HydrophobicContact CG-CB 4.45Å; P232-A249 WeakPolarHBondContact CA-O 3.48Å; P232-A249 WeakPolarHBondContact CB-O 3.33Å
233	F	96.4	Very high	96.3	Very high	88 Å²	88	51.1 Å²	51.1	39%	0.386	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-73.3	-8.2	179.1	55.9	-89.6	0	0	0	114.6	N150 D153 P231	N150-F233 VanDerWaalsContact O-CE1 3.27Å; N150-F233 WeakPolarHBondContact O-CE1 3.3Å; D153-F233 VanDerWaalsContact O-CZ 3.28Å; D153-F233 WeakPolarHBondContact O-CZ 3.34Å; P231-F233 VanDerWaalsContact C-N 3.29Å; P231-F233 HydrophobicContact CB-CD1 4.33Å; P231-F233 HydrophobicContact CB-CE1 3.74Å; P231-F233 HydrophobicContact CB-CZ 3.97Å; P231-F233 HydrophobicContact CG-CE1 4.13Å; P231-F233 HydrophobicContact CG-CE2 4.26Å; P231-F233 HydrophobicContact CG-CZ 3.84Å; P231-F233 PolarHBondContact O-N 3.44Å
234	K	97.5	Very high	96.3	Very high	35 Å²	35	55.2 Å²	55.2	15%	0.152	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-103	-5.4	165.7	-64	-167.2	179.8	-144.7	0	112.9	V155 K211 G212 E215 I230 P231 P232	V155-K234 HydrophobicContact CG2-CD 3.8Å; K211-K234 PolarHBondContact N-O 3.39Å; G212-K234 PolarHBondContact N-O 2.64Å; E215-K234 IonicContact OE1-NZ 3.4Å; E215-K234 PolarHBondContact OE1-NZ 3.42Å; E215-K234 IonicContact OE2-NZ 2.91Å; E215-K234 PolarHBondContact OE2-NZ 2.89Å; I230-K234 HydrophobicContact CG2-CB 3.76Å; P231-K234 HydrophobicContact CG-CD 4.48Å; P231-K234 HydrophobicContact CG-CG 4.44Å; P231-K234 PolarHBondContact O-N 3.45Å; P232-K234 PolarHBondContact O-N 2.84Å
235	A	97.3	Very high	96.3	Very high	20 Å²	20	55.7 Å²	55.7	17%	0.165	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-125.3	169.7	0	0	0	0	0	110.3	I230 P231 P232 L251	I230-A235 HydrophobicContact CG2-CB 3.89Å; P231-A235 PolarHBondContact O-N 2.66Å; P232-A235 CarbonylContact O-C 3.48Å; P232-A235 VanDerWaalsContact O-C 3.28Å; P232-A235 WeakPolarHBondContact O-CA 3.22Å; P232-A235 PolarHBondContact O-N 3.47Å; A235-L251 HydrophobicContact CB-CD1 3.66Å; A235-L251 HydrophobicContact CB-CG 3.79Å
236	Y	97	Very high	96.3	Very high	101 Å²	101	54.7 Å²	54.7	40%	0.396	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	2.2	-174.9	-60.9	-81.3	0	0	0	115	V210 P232 G240 I245 L251	V210-Y236 HydrophobicContact CG1-CD1 4.42Å; V210-Y236 HydrophobicContact CG1-CD2 4.43Å; V210-Y236 HydrophobicContact CG1-CE1 3.9Å; V210-Y236 HydrophobicContact CG1-CE2 3.91Å; P232-Y236 PolarHBondContact O-N 2.78Å; Y236-G240 PolarHBondContact O-N 2.85Å; Y236-I245 HydrophobicContact CD2-CD1 3.84Å; Y236-I245 HydrophobicContact CD2-CG2 3.97Å; Y236-I245 HydrophobicContact CE2-CD1 3.47Å; Y236-I245 VanDerWaalsContact CE2-CD1 3.47Å; Y236-L251 HydrophobicContact CD2-CD1 3.96Å; Y236-L251 HydrophobicContact CE2-CD1 3.84Å
237	G	95.6	Very high	96.2	Very high	17 Å²	17	57.1 Å²	57.1	18%	0.175	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	58.6	-145.8	171.1	0	0	0	0	0	115	P232 K239 G240 Q248	P232-G237 VanDerWaalsContact O-CA 3.27Å; P232-G237 WeakPolarHBondContact O-CA 3.45Å; P232-G237 PolarHBondContact O-N 3.25Å; G237-K239 PolarHBondContact O-N 2.02Å; G237-K239 VanDerWaalsContact O-N 3.11Å; G237-G240 PolarHBondContact O-N 3.07Å; G237-Q248 WeakPolarHBondContact O-CA 3.49Å; G237-Q248 PolarHBondContact O-N 3.33Å
238	E	94.6	Very high	96	Very high	155 Å²	155	56.9 Å²	56.9	72%	0.724	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-67.9	-6.7	-175.4	-57.3	-172	148.7	0	0	114.8	Q248	E238-Q248 HydrophobicContact CB-CG 4.42Å; E238-Q248 HydrophobicContact CG-CG 4.16Å
239	K	94.3	Very high	96	Very high	191 Å²	191	57 Å²	57	83%	0.83	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-102.1	-26	-178.2	-65.2	-174.7	179.3	-178.6	0	113.9	G237	G237-K239 PolarHBondContact O-N 2.02Å; G237-K239 VanDerWaalsContact O-N 3.11Å
240	G	95.1	Very high	96	Very high	13 Å²	13	55.8 Å²	55.8	13%	0.134	31%	0.314	C	S	.	.			trans	66.4	-164.1	-168.4	0	0	0	0	0	112.2	Y236 G237 I245	Y236-G240 PolarHBondContact O-N 2.85Å; G237-G240 PolarHBondContact O-N 3.07Å; G240-I245 CarbonylContact C-O 3.59Å; G240-I245 VanDerWaalsContact CA-O 3.27Å; G240-I245 WeakPolarHBondContact CA-O 3.41Å
241	S	96.1	Very high	96	Very high	50 Å²	50	55.8 Å²	55.8	35%	0.35	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-148.2	122.5	177.6	-172.3	0	0	0	0	111.7	I245	S241-I245 PolarHBondContact N-O 2.89Å; S241-I245 PolarHBondContact O-N 3.37Å; S241-I245 VanDerWaalsContact O-N 3.17Å
242	G	92.9	Very high	96	Very high	82 Å²	82	56 Å²	56	85%	0.845	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-142.1	-177.1	0	0	0	0	0	112.7
243	T	91.4	Very high	96	Very high	140 Å²	140	56.7 Å²	56.7	86%	0.859	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-16.3	173.8	49.9	0	0	0	0	113.4
244	M	94.2	Very high	96.1	Very high	107 Å²	107	55.7 Å²	55.7	53%	0.527	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-24.8	-170.5	-60.3	-61.1	-65.2	0	0	113.6	F190	F190-M244 HydrophobicContact CB-CB 4.04Å
245	I	96.9	Very high	96.2	Very high	13 Å²	13	54 Å²	54	7%	0.067	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-117.2	104.3	179.5	-59	178	0	0	0	108.6	F190 Y236 G240 S241 A249 L251	F190-I245 HydrophobicContact CB-CG1 4.11Å; F190-I245 HydrophobicContact CD1-CG1 4.41Å; F190-I245 HydrophobicContact CD2-CD1 3.74Å; F190-I245 HydrophobicContact CD2-CG1 3.99Å; F190-I245 HydrophobicContact CE2-CD1 3.89Å; F190-I245 HydrophobicContact CG-CD1 4.15Å; F190-I245 HydrophobicContact CG-CG1 3.92Å; F190-I245 HydrophobicContact CZ-CD1 4.39Å; Y236-I245 HydrophobicContact CD2-CD1 3.84Å; Y236-I245 HydrophobicContact CD2-CG2 3.97Å; Y236-I245 HydrophobicContact CE2-CD1 3.47Å; Y236-I245 VanDerWaalsContact CE2-CD1 3.47Å; G240-I245 CarbonylContact C-O 3.59Å; G240-I245 VanDerWaalsContact CA-O 3.27Å; G240-I245 WeakPolarHBondContact CA-O 3.41Å; S241-I245 PolarHBondContact N-O 2.89Å; S241-I245 PolarHBondContact O-N 3.37Å; S241-I245 VanDerWaalsContact O-N 3.17Å; I245-A249 HydrophobicContact CG2-CB 4.15Å; I245-L251 HydrophobicContact CD1-CD1 4.41Å; I245-L251 HydrophobicContact CD1-CD2 4.19Å; I245-L251 HydrophobicContact CG1-CD2 4.4Å; I245-L251 HydrophobicContact CG2-CD2 3.81Å
246	P	95.8	Very high	96.2	Very high	41 Å²	41	54.9 Å²	54.9	27%	0.266	31%	0.311	S	S	.	.			trans	-73	163.7	-176.2	25.5	-29.4	0	0	0	113	L184 Q248 A249	L184-P246 HydrophobicContact CD1-CG 3.99Å; P246-Q248 PolarHBondContact O-N 3.39Å; P246-A249 HydrophobicContact CG-CB 4.03Å; P246-A249 WeakPolarHBondContact O-CB 3.48Å; P246-A249 PolarHBondContact O-N 3.15Å
247	P	95.8	Very high	96.2	Very high	70 Å²	70	50 Å²	50	46%	0.455	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	132.4	169.8	-30.9	38	0	0	0	113.3	A249	P247-A249 VanDerWaalsContact C-N 3.32Å; P247-A249 PolarHBondContact O-N 3.42Å
248	Q	95.5	Very high	96.1	Very high	35 Å²	35	50.9 Å²	50.9	16%	0.164	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	43.4	-177.3	-54.6	-151.6	65.3	0	0	114.7	V89 W149 P232 G237 E238 P246	V89-Q248 HydrophobicContact CG2-CB 4.43Å; W149-Q248 HydrophobicContact CH2-CB 3.74Å; W149-Q248 HydrophobicContact CZ2-CB 3.58Å; W149-Q248 HydrophobicContact CZ2-CG 4.28Å; P232-Q248 HydrophobicContact CB-CB 4.29Å; P232-Q248 HydrophobicContact CG-CB 4.45Å; G237-Q248 WeakPolarHBondContact O-CA 3.49Å; G237-Q248 PolarHBondContact O-N 3.33Å; E238-Q248 HydrophobicContact CB-CG 4.42Å; E238-Q248 HydrophobicContact CG-CG 4.16Å; P246-Q248 PolarHBondContact O-N 3.39Å
249	A	97.3	Very high	96.1	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.033	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-84.7	134.2	168.5	0	0	0	0	0	112.7	D147 L184 P232 I245 P246 P247	D147-A249 WeakPolarHBondContact OD2-CA 3.38Å; L184-A249 HydrophobicContact CD2-CB 4.09Å; P232-A249 WeakPolarHBondContact CA-O 3.48Å; P232-A249 WeakPolarHBondContact CB-O 3.33Å; I245-A249 HydrophobicContact CG2-CB 4.15Å; P246-A249 HydrophobicContact CG-CB 4.03Å; P246-A249 WeakPolarHBondContact O-CB 3.48Å; P246-A249 PolarHBondContact O-N 3.15Å; P247-A249 VanDerWaalsContact C-N 3.32Å; P247-A249 PolarHBondContact O-N 3.42Å
250	T	98	Very high	96.2	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-77.4	133.9	163.1	-60.4	0	0	0	0	108.2	D147 L185 V229 I230	D147-T250 WeakPolarHBondContact OD1-CB 3.36Å; D147-T250 PolarHBondContact OD1-OG1 3.19Å; D147-T250 PolarHBondContact OD2-N 2.9Å; L185-T250 HydrophobicContact CB-CG2 4.25Å; L185-T250 HydrophobicContact CD1-CG2 4.36Å; L185-T250 HydrophobicContact CD2-CG2 4.21Å; L185-T250 PolarHBondContact N-O 2.7Å; V229-T250 HydrophobicContact CG1-CG2 3.62Å; I230-T250 WeakPolarHBondContact O-CA 3.16Å; I230-T250 WeakPolarHBondContact O-CG2 3.29Å
251	L	98.4	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	143.7	177.1	-53	-174.9	0	0	0	110.6	L184 F190 V229 I230 A235 Y236 I245 F253	L184-L251 HydrophobicContact CD2-CD2 4.01Å; F190-L251 HydrophobicContact CD1-CD2 4.37Å; F190-L251 HydrophobicContact CE1-CB 4.36Å; F190-L251 HydrophobicContact CE1-CD2 3.8Å; F190-L251 HydrophobicContact CE1-CG 4.49Å; F190-L251 HydrophobicContact CZ-CD1 4.27Å; F190-L251 HydrophobicContact CZ-CD2 4.18Å; V229-L251 WeakPolarHBondContact CA-O 3.3Å; I230-L251 HydrophobicContact CB-CB 4.43Å; I230-L251 PolarHBondContact N-O 3.16Å; I230-L251 PolarHBondContact O-N 3.22Å; A235-L251 HydrophobicContact CB-CD1 3.66Å; A235-L251 HydrophobicContact CB-CG 3.79Å; Y236-L251 HydrophobicContact CD2-CD1 3.96Å; Y236-L251 HydrophobicContact CE2-CD1 3.84Å; I245-L251 HydrophobicContact CD1-CD1 4.41Å; I245-L251 HydrophobicContact CD1-CD2 4.19Å; I245-L251 HydrophobicContact CG1-CD2 4.4Å; I245-L251 HydrophobicContact CG2-CD2 3.81Å; L251-F253 HydrophobicContact CB-CD2 4.22Å; L251-F253 HydrophobicContact CB-CE2 3.73Å; L251-F253 HydrophobicContact CD1-CE2 3.84Å; L251-F253 HydrophobicContact CD1-CZ 4.18Å; L251-F253 HydrophobicContact CG-CE2 4.46Å
252	V	98.3	Very high	96.1	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.8	174.3	-178.7	0	0	0	0	107.6	G182 T183 L185 H227 I228 V229	G182-V252 WeakPolarHBondContact CA-O 3Å; T183-V252 PolarHBondContact N-O 3.41Å; T183-V252 PolarHBondContact O-N 3.5Å; L185-V252 HydrophobicContact CD1-CG2 3.96Å; H227-V252 WeakPolarHBondContact CE1-CG1 3.38Å; I228-V252 CarbonylContact O-C 3.6Å; I228-V252 WeakPolarHBondContact O-CA 3.01Å; V229-V252 HydrophobicContact CG1-CG2 4.35Å; V229-V252 HydrophobicContact CG2-CG2 4.33Å
253	F	98.6	Very high	96.1	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.07	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.4	177.4	-70.9	-93.5	0	0	0	110.1	F180 N181 F190 M213 H227 I228 I230 L251 V255	F180-F253 HydrophobicContact CB-CD1 4.4Å; F180-F253 AromaticContact CD2-CD1 3.59Å; F180-F253 HydrophobicContact CD2-CD1 3.59Å; F180-F253 AromaticContact CD2-CE1 3.77Å; F180-F253 HydrophobicContact CD2-CE1 3.77Å; F180-F253 HydrophobicContact CE2-CD1 4.1Å; F180-F253 AromaticContact CE2-CE1 3.78Å; F180-F253 HydrophobicContact CE2-CE1 3.78Å; F180-F253 HydrophobicContact CG-CD1 4.16Å; F180-F253 HydrophobicContact CZ-CE1 4.49Å; N181-F253 WeakPolarHBondContact O-CA 3.43Å; F190-F253 HydrophobicContact CE2-CE1 4.26Å; F190-F253 HydrophobicContact CE2-CZ 4.14Å; F190-F253 AromaticContact CZ-CE1 3.87Å; F190-F253 HydrophobicContact CZ-CE1 3.87Å; F190-F253 HydrophobicContact CZ-CE2 4.12Å; F190-F253 AromaticContact CZ-CZ 3.59Å; F190-F253 HydrophobicContact CZ-CZ 3.59Å; M213-F253 HydrophobicContact CE-CD1 4.5Å; M213-F253 HydrophobicContact SD-CB 4.35Å; M213-F253 HydrophobicContact SD-CD1 4.32Å; M213-F253 HydrophobicContact SD-CD2 4.1Å; M213-F253 HydrophobicContact SD-CE2 4.43Å; M213-F253 HydrophobicContact SD-CG 4.03Å; H227-F253 CarbonylContact C-O 3.57Å; H227-F253 WeakPolarHBondContact CA-O 3.46Å; I228-F253 HydrophobicContact CB-CB 4.38Å; I228-F253 PolarHBondContact N-O 2.97Å; I228-F253 PolarHBondContact O-N 2.65Å; I230-F253 HydrophobicContact CD1-CD2 3.84Å; I230-F253 HydrophobicContact CD1-CE2 3.85Å; L251-F253 HydrophobicContact CB-CD2 4.22Å; L251-F253 HydrophobicContact CB-CE2 3.73Å; L251-F253 HydrophobicContact CD1-CE2 3.84Å; L251-F253 HydrophobicContact CD1-CZ 4.18Å; L251-F253 HydrophobicContact CG-CE2 4.46Å; F253-V255 HydrophobicContact CB-CG2 3.89Å
254	D	98.3	Very high	96.2	Very high	66 Å²	66	34.2 Å²	34.2	35%	0.353	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.6	161.1	-73.8	-49.5	0	0	0	108	F180 N181 H227	F180-D254 CarbonylContact C-O 3.59Å; F180-D254 WeakPolarHBondContact CA-O 3.43Å; N181-D254 PolarHBondContact N-O 2.8Å; N181-D254 PolarHBondContact O-N 3.24Å; H227-D254 IonicContact CE1-OD1 2.73Å; H227-D254 IonicContact CG-OD1 2.71Å; H227-D254 IonicContact ND1-OD1 3.51Å; H227-D254 PolarHBondContact ND1-OD1 3.24Å; H227-D254 IonicContact ND1-OD2 3.37Å
255	V	98.4	Very high	96.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.5	-170.2	-174.3	0	0	0	0	110.5	Y178 H179 F180 M213 L217 M220 I225 R226 I228 F253	Y178-V255 HydrophobicContact CD2-CG1 3.75Å; Y178-V255 HydrophobicContact CG-CG1 3.97Å; H179-V255 CarbonylContact O-C 3.29Å; H179-V255 WeakPolarHBondContact O-CA 3.16Å; F180-V255 HydrophobicContact CB-CG2 4.34Å; M213-V255 HydrophobicContact CE-CG1 4.42Å; M213-V255 HydrophobicContact CE-CG2 3.54Å; L217-V255 HydrophobicContact CD2-CG1 4.03Å; M220-V255 HydrophobicContact CE-CB 4.34Å; M220-V255 HydrophobicContact CE-CG1 4.09Å; M220-V255 HydrophobicContact SD-CB 4.43Å; M220-V255 HydrophobicContact SD-CG1 4.07Å; I225-V255 CarbonylContact C-O 3.58Å; I225-V255 VanDerWaalsContact CA-O 3.22Å; I225-V255 WeakPolarHBondContact CA-O 3.36Å; R226-V255 PolarHBondContact N-O 2.89Å; R226-V255 PolarHBondContact O-N 2.97Å; I228-V255 HydrophobicContact CD1-CG2 3.75Å; I228-V255 HydrophobicContact CG1-CG2 4.34Å; F253-V255 HydrophobicContact CB-CG2 3.89Å
256	L	97.3	Very high	96.1	Very high	37 Å²	37	35.2 Å²	35.2	19%	0.194	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.2	165.2	168.2	59.4	0	0	0	108.4	Y178 H179 E224 I225 E258	Y178-L256 CarbonylContact C-O 3.58Å; Y178-L256 VanDerWaalsContact CA-O 3.24Å; Y178-L256 WeakPolarHBondContact CA-O 3.24Å; Y178-L256 VanDerWaalsContact CB-O 3.26Å; Y178-L256 WeakPolarHBondContact CB-O 3.46Å; H179-L256 HydrophobicContact CB-CB 4.5Å; H179-L256 PolarHBondContact N-O 3.39Å; H179-L256 PolarHBondContact O-N 2.84Å; E224-L256 WeakPolarHBondContact O-CA 3.25Å; I225-L256 HydrophobicContact CG1-CB 4.4Å; I225-L256 HydrophobicContact CG1-CD1 3.92Å; L256-E258 VanDerWaalsContact CD2-OE1 3.31Å; L256-E258 WeakPolarHBondContact CD2-OE1 3.37Å
257	L	96.9	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.2	178.3	-178.9	63	0	0	0	110.6	V170 V176 R177 M220 C221 G223 E224 I260	V170-L257 HydrophobicContact CG2-CD1 4.47Å; V170-L257 HydrophobicContact CG2-CD2 3.46Å; V170-L257 VanDerWaalsContact CG2-CD2 3.46Å; V176-L257 HydrophobicContact CB-CD1 3.97Å; V176-L257 HydrophobicContact CG1-CD1 4.4Å; R177-L257 WeakPolarHBondContact O-CD1 3.37Å; M220-L257 HydrophobicContact CB-CD2 3.52Å; M220-L257 HydrophobicContact CE-CB 3.72Å; M220-L257 HydrophobicContact SD-CB 4.49Å; C221-L257 WeakPolarHBondContact O-CD2 3.48Å; G223-L257 WeakPolarHBondContact CA-O 3.31Å; G223-L257 PolarHBondContact N-O 3.25Å; E224-L257 PolarHBondContact O-N 2.62Å; E224-L257 VanDerWaalsContact O-N 3.1Å; L257-I260 HydrophobicContact CD1-CG2 3.92Å; L257-I260 HydrophobicContact CD2-CG2 3.67Å; L257-I260 HydrophobicContact CG-CG2 4.05Å
258	E	94.9	Very high	96.1	Very high	35 Å²	35	34.6 Å²	34.6	16%	0.164	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-35.6	-177.3	-68.4	-65	167.7	0	0	113.1	R177 H179 T199 V222 L256 N298	R177-E258 WeakPolarHBondContact O-CB 3.35Å; R177-E258 PolarHBondContact O-N 2.87Å; H179-E258 IonicContact CD2-OE1 3.04Å; T199-E258 HydrophobicContact CG2-CB 4.34Å; T199-E258 HydrophobicContact CG2-CG 3.98Å; V222-E258 VanDerWaalsContact CG1-O 3.3Å; V222-E258 WeakPolarHBondContact CG1-O 3.46Å; L256-E258 VanDerWaalsContact CD2-OE1 3.31Å; L256-E258 WeakPolarHBondContact CD2-OE1 3.37Å; E258-N298 PolarHBondContact OE2-ND2 2.86Å
259	D	94.8	Very high	96.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	147.8	-169.3	-149.8	-21.1	0	0	0	112.8	V176 R177 L297 A361 V362	V176-D259 WeakPolarHBondContact CA-O 3.43Å; R177-D259 HydrophobicContact CB-CB 3.86Å; R177-D259 HydrophobicContact CG-CB 4.14Å; R177-D259 PolarHBondContact N-O 3.12Å; R177-D259 PolarHBondContact O-N 3.01Å; R177-D259 VanDerWaalsContact O-N 3.13Å; D259-L297 WeakPolarHBondContact OD1-CD1 3.21Å; D259-A361 VanDerWaalsContact OD2-CA 3.32Å; D259-A361 WeakPolarHBondContact OD2-CA 3.32Å; D259-V362 VanDerWaalsContact OD1-CB 3.29Å; D259-V362 WeakPolarHBondContact OD1-CB 3.43Å; D259-V362 WeakPolarHBondContact OD1-CG2 3.48Å; D259-V362 PolarHBondContact OD2-N 2.72Å
260	I	95.3	Very high	95.9	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	137.3	176	69.3	-175.2	0	0	0	112.3	R168 V170 F175 V176 V222 L257 L297	R168-I260 HydrophobicContact CB-CD1 4.08Å; R168-I260 HydrophobicContact CG-CD1 3.7Å; V170-I260 HydrophobicContact CG2-CG2 3.76Å; F175-I260 WeakPolarHBondContact O-CA 3.14Å; V176-I260 HydrophobicContact CG1-CG2 4.05Å; V222-I260 HydrophobicContact CG2-CB 4.29Å; V222-I260 HydrophobicContact CG2-CD1 3.9Å; V222-I260 HydrophobicContact CG2-CG1 3.67Å; V222-I260 HydrophobicContact CG2-CG2 3.98Å; L257-I260 HydrophobicContact CD1-CG2 3.92Å; L257-I260 HydrophobicContact CD2-CG2 3.67Å; L257-I260 HydrophobicContact CG-CG2 4.05Å; I260-L297 HydrophobicContact CG1-CD1 4.21Å; I260-L297 VanDerWaalsContact O-CD1 3.3Å; I260-L297 WeakPolarHBondContact O-CD1 3.43Å
261	H	95.5	Very high	95.3	Very high	14 Å²	14	43 Å²	43	7%	0.065	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.6	163.4	63.5	-75.8	0	0	0	110.5	D174 F175 P343 P344 V362	D174-H261 CarbonylContact C-O 3.58Å; F175-H261 AromaticContact CD1-CE1 3.37Å; F175-H261 WeakPolarHBondContact CD1-CE1 3.45Å; F175-H261 AromaticContact CG-CE1 3.71Å; F175-H261 PolarHBondContact N-O 3Å; F175-H261 PolarHBondContact O-N 3.22Å; H261-P343 HydrophobicContact CB-CB 4.45Å; H261-P344 VanDerWaalsContact CE1-CG 3.44Å; H261-P344 WeakPolarHBondContact CE1-CG 3.27Å; H261-P344 WeakPolarHBondContact NE2-CD 3.33Å; H261-V362 HydrophobicContact CB-CG2 3.73Å
262	N	94.8	Very high	94.8	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.107	25%	0.245	C	C	.	.			trans	-85.2	135.9	160.4	-152.7	-86.6	0	0	0	108.6	T173 D174 K264 D265	T173-N262 PolarHBondContact O-ND2 2.91Å; T173-N262 PolarHBondContact OG1-ND2 3.19Å; D174-N262 PolarHBondContact OD1-ND2 3.38Å; N262-K264 PolarHBondContact O-N 3.4Å; N262-K264 PolarHBondContact OD1-N 3.03Å; N262-D265 WeakPolarHBondContact CA-OD2 3.44Å; N262-D265 HydrophobicContact CB-CB 4.42Å; N262-D265 VanDerWaalsContact CB-CG 3.41Å; N262-D265 WeakPolarHBondContact CB-OD1 3.46Å; N262-D265 VanDerWaalsContact CB-OD2 3.28Å; N262-D265 WeakPolarHBondContact CB-OD2 3.34Å; N262-D265 PolarHBondContact N-OD2 3.46Å; N262-D265 WeakPolarHBondContact O-CB 3.29Å; N262-D265 PolarHBondContact O-N 2.7Å
263	P	92.7	Very high	94.5	Very high	59 Å²	59	53.3 Å²	53.3	38%	0.383	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-7.8	174	-25.9	35.1	0	0	0	115.1	F175 L203 H345	F175-P263 HydrophobicContact CB-CG 4.11Å; L203-P263 HydrophobicContact CD2-CG 3.8Å; P263-H345 PolarHBondContact O-CE1 3.27Å
264	K	92.9	Very high	94.1	Very high	180 Å²	180	54.5 Å²	54.5	78%	0.783	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-1.6	177.9	-57	172.5	-174.1	167.7	0	113.9	N262	N262-K264 PolarHBondContact O-N 3.4Å; N262-K264 PolarHBondContact OD1-N 3.03Å
265	D	92	Very high	93.5	Very high	51 Å²	51	54.4 Å²	54.4	27%	0.273	29%	0.286	S	S	.	.			trans	-67.4	143.6	176.4	-69.4	-25.4	0	0	0	110.1	R168 N262 P343 H345	R168-D265 IonicContact CZ-OD2 2.96Å; R168-D265 IonicContact NH1-OD2 2.74Å; R168-D265 PolarHBondContact NH1-OD2 2.84Å; R168-D265 IonicContact NH2-OD2 3.94Å; R168-D265 PolarHBondContact NH2-OD2 2.8Å; N262-D265 WeakPolarHBondContact CA-OD2 3.44Å; N262-D265 HydrophobicContact CB-CB 4.42Å; N262-D265 VanDerWaalsContact CB-CG 3.41Å; N262-D265 WeakPolarHBondContact CB-OD1 3.46Å; N262-D265 VanDerWaalsContact CB-OD2 3.28Å; N262-D265 WeakPolarHBondContact CB-OD2 3.34Å; N262-D265 PolarHBondContact N-OD2 3.46Å; N262-D265 WeakPolarHBondContact O-CB 3.29Å; N262-D265 PolarHBondContact O-N 2.7Å; D265-P343 WeakPolarHBondContact O-CG 3.35Å; D265-H345 PolarHBondContact O-CE1 2.85Å; D265-H345 PolarHBondContact O-NE2 3.16Å
266	N	96.5	Very high	92.8	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	33%	0.328	S	S	.	.			trans	-91.1	-176.9	164.2	-163.1	6.1	0	0	0	109.6	Q327 L346	N266-Q327 PolarHBondContact ND2-OE1 2.76Å; N266-Q327 PolarHBondContact OD1-OE1 2.92Å; N266-L346 WeakPolarHBondContact OD1-CD1 3.38Å
267	I	96.8	Very high	92.3	Very high	28 Å²	28	67 Å²	67	14%	0.144	35%	0.354	C	S	.	.			trans	-54.8	147.1	167.4	62.2	163.2	0	0	0	111.9	I269 G324 Q327 V340 I341 I342 L346	I267-I269 HydrophobicContact CD1-CD1 4.39Å; I267-I269 HydrophobicContact CD1-CG1 4.41Å; I267-G324 VanDerWaalsContact CG2-CA 3.45Å; I267-Q327 HydrophobicContact CD1-CB 3.67Å; I267-Q327 HydrophobicContact CG1-CB 4.48Å; I267-V340 HydrophobicContact CB-CG1 4.5Å; I267-V340 HydrophobicContact CD1-CG1 4.42Å; I267-I341 CarbonylContact C-O 3.55Å; I267-I341 VanDerWaalsContact CA-O 3.27Å; I267-I341 WeakPolarHBondContact CA-O 3.39Å; I267-I342 HydrophobicContact CG2-CB 4.4Å; I267-I342 HydrophobicContact CG2-CG1 4.05Å; I267-I342 HydrophobicContact CG2-CG2 4.27Å; I267-L346 HydrophobicContact CG2-CD1 3.88Å
268	T	96.1	Very high	91.8	Very high	71 Å²	71	69 Å²	69	44%	0.436	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.4	170.1	-56.8	0	0	0	0	108.9	E270 I341	T268-E270 HydrophobicContact CG2-CG 4.14Å; T268-I341 PolarHBondContact N-O 2.82Å; T268-I341 PolarHBondContact O-N 3.46Å
269	I	95.5	Very high	91.2	Very high	71 Å²	71	73.3 Å²	73.3	36%	0.364	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.7	174.2	-59.3	177.8	0	0	0	108.2	I267 R338 R339	I267-I269 HydrophobicContact CD1-CD1 4.39Å; I267-I269 HydrophobicContact CD1-CG1 4.41Å; I269-R338 HydrophobicContact CG2-CB 4.15Å; I269-R339 CarbonylContact C-O 3.5Å; I269-R339 WeakPolarHBondContact CA-O 3.43Å
270	E	92.8	Very high	90.9	Very high	45 Å²	45	76.9 Å²	76.9	21%	0.21	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	171	178.6	-55.5	-171.3	116.7	0	0	110.8	K167 T268 Q272 R339 I341	K167-E270 IonicContact NZ-OE1 2.82Å; K167-E270 PolarHBondContact NZ-OE1 3.09Å; K167-E270 IonicContact NZ-OE2 3.14Å; K167-E270 PolarHBondContact NZ-OE2 2.87Å; T268-E270 HydrophobicContact CG2-CG 4.14Å; E270-Q272 VanDerWaalsContact C-N 3.3Å; E270-Q272 PolarHBondContact O-N 3.04Å; E270-Q272 VanDerWaalsContact O-N 3.16Å; E270-R339 HydrophobicContact CB-CB 4.13Å; E270-R339 HydrophobicContact CB-CG 4.34Å; E270-R339 PolarHBondContact N-O 2.92Å; E270-R339 PolarHBondContact O-N 2.86Å; E270-R339 VanDerWaalsContact OE2-CD 3.27Å; E270-R339 WeakPolarHBondContact OE2-CD 3.46Å; E270-I341 HydrophobicContact CG-CD1 4.29Å
271	N	83.6	Confident	90.8	Very high	102 Å²	102	82.7 Å²	82.7	55%	0.545	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.4	48.1	168.7	-61.8	4	0	0	0	113.5	E273 R339	N271-E273 PolarHBondContact O-N 2.97Å; N271-R339 HydrophobicContact CB-CB 4.28Å
272	Q	89.6	Confident	90.8	Very high	103 Å²	103	82.2 Å²	82.2	48%	0.481	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	109.4	-177	-169.6	176.1	7.4	0	0	111	E270 E336 R337 R338	E270-Q272 VanDerWaalsContact C-N 3.3Å; E270-Q272 PolarHBondContact O-N 3.04Å; E270-Q272 VanDerWaalsContact O-N 3.16Å; Q272-E336 HydrophobicContact CG-CG 4.5Å; Q272-E336 VanDerWaalsContact CG-OE1 3.27Å; Q272-E336 WeakPolarHBondContact CG-OE1 3.44Å; Q272-E336 PolarHBondContact NE2-OE1 2.8Å; Q272-R337 CarbonylContact C-O 3.58Å; Q272-R337 WeakPolarHBondContact CA-O 3.48Å; Q272-R338 HydrophobicContact CG-CB 4.43Å
273	E	92.1	Very high	90.8	Very high	124 Å²	124	85 Å²	85	58%	0.579	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	91.9	175.6	-63.4	177.4	175	0	0	108.7	N271 E336 R337	N271-E273 PolarHBondContact O-N 2.97Å; E273-E336 WeakPolarHBondContact O-CA 3.34Å; E273-R337 HydrophobicContact CB-CB 4.3Å; E273-R337 PolarHBondContact N-O 2.77Å; E273-R337 PolarHBondContact O-N 3.08Å
274	A	88.8	Confident	91	Very high	41 Å²	41	85.1 Å²	85.1	34%	0.339	45%	0.452	S	S	.	.			trans	-97.7	127.2	176.9	0	0	0	0	0	110.8	C333 E336	A274-C333 HydrophobicContact CB-CB 4.23Å; A274-E336 HydrophobicContact CB-CG 4.02Å
275	P	86.7	Confident	91	Very high	63 Å²	63	77.3 Å²	77.3	41%	0.409	42%	0.423	S	S	.	.			trans	-61.1	144	169.9	-24.8	35.3	0	0	0	112.4	L334	P275-L334 WeakPolarHBondContact CD-O 3.11Å; P275-L334 WeakPolarHBondContact CG-O 3.47Å
276	E	83.8	Confident	91.2	Very high	191 Å²	191	74.9 Å²	74.9	89%	0.893	41%	0.41	S	S	*	.	S	Bend	trans	-107.5	141	169.4	-67.4	-162.6	155.7	0	0	111
277	P	85.5	Confident	91	Very high	113 Å²	113	72 Å²	72	73%	0.734	39%	0.393	S	S	*	.			cis	-81.7	129.1	0.1	32.3	-33.8	0	0	0	113.1	T279	P277-T279 HydrophobicContact CB-CG2 4.27Å; P277-T279 HydrophobicContact CG-CG2 4.3Å; P277-T279 PolarHBondContact O-N 3.07Å; P277-T279 VanDerWaalsContact O-N 3.08Å
278	C	86.8	Confident	90.8	Very high	40 Å²	40	70.7 Å²	70.7	27%	0.27	39%	0.386	S	S	.	.			trans	-81.1	84.1	169.9	178.3	0	0	0	0	110.3	C333	C278-C333 HydrophobicContact CB-CB 3.78Å; C278-C333 WeakPolarHBondContact CB-SG 3.37Å; C278-C333 WeakPolarHBondContact SG-CB 3.49Å; C278-C333 CovalentContact SG-SG 2.02Å; C278-C333 PolarHBondContact SG-SG 2.93Å
279	T	83.4	Confident	90.6	Very high	127 Å²	127	67.7 Å²	67.7	78%	0.779	37%	0.367	S	S	*	.			trans	-73	-39.7	-175.4	53.4	0	0	0	0	113.4	P277	P277-T279 HydrophobicContact CB-CG2 4.27Å; P277-T279 HydrophobicContact CG-CG2 4.3Å; P277-T279 PolarHBondContact O-N 3.07Å; P277-T279 VanDerWaalsContact O-N 3.08Å
280	R	86.8	Confident	90.6	Very high	76 Å²	76	64.7 Å²	64.7	29%	0.287	35%	0.351	S	S	.	.			trans	-116.4	142.2	174	-174.3	-170	177.9	150.3	3.3	109.7	D286 F372 D377	R280-D286 IonicContact NE-OD2 3.25Å; R280-D286 IonicContact NH2-OD1 3.52Å; R280-D286 PolarHBondContact NH2-OD1 3.3Å; R280-D286 IonicContact NH2-OD2 3.73Å; R280-F372 HydrophobicContact CG-CE2 3.8Å; R280-F372 HydrophobicContact CG-CZ 4.26Å; R280-D377 IonicContact CZ-OD1 3.62Å; R280-D377 IonicContact CZ-OD2 2.91Å; R280-D377 VanDerWaalsContact NH1-CG 3.34Å; R280-D377 IonicContact NH1-OD1 3.65Å; R280-D377 PolarHBondContact NH1-OD1 2.88Å; R280-D377 IonicContact NH1-OD2 3.2Å; R280-D377 PolarHBondContact NH1-OD2 3.37Å; R280-D377 IonicContact NH2-OD1 2.7Å; R280-D377 PolarHBondContact NH2-OD1 2.53Å; R280-D377 IonicContact NH2-OD2 3.82Å; R280-D377 PolarHBondContact NH2-OD2 3.2Å; R280-D377 VanDerWaalsContact NH2-OD2 3.14Å
281	R	93.8	Very high	90.7	Very high	128 Å²	128	64 Å²	64	48%	0.483	35%	0.348	S	S	.	.			trans	-113.7	148.9	164.9	-72.6	-174.1	-179.5	-80.3	-7.1	110.8	G331 V332 C333	R281-G331 PolarHBondContact NH1-O 2.89Å; R281-V332 CarbonylContact C-O 3.55Å; R281-V332 VanDerWaalsContact CA-O 3.25Å; R281-V332 WeakPolarHBondContact CA-O 3.5Å; R281-C333 VanDerWaalsContact CZ-SG 3.55Å; R281-C333 PolarHBondContact NH1-SG 3.19Å
282	S	95	Very high	91.4	Very high	5 Å²	5	60 Å²	60	4%	0.035	33%	0.325	C	S	.	.			trans	-68.2	143.6	179.1	69.7	0	0	0	0	112.7	D286 L329 G331 V332 F372	S282-D286 WeakPolarHBondContact CA-OD2 3.32Å; S282-L329 PolarHBondContact OG-O 3.31Å; S282-G331 WeakPolarHBondContact O-CA 3.49Å; S282-G331 PolarHBondContact O-N 2.88Å; S282-G331 PolarHBondContact OG-N 3.04Å; S282-V332 PolarHBondContact N-O 2.92Å; S282-V332 VanDerWaalsContact OG-CG2 3.26Å; S282-V332 WeakPolarHBondContact OG-CG2 3.28Å; S282-V332 PolarHBondContact OG-N 3.05Å; S282-F372 VanDerWaalsContact N-CE2 3.31Å; S282-F372 VanDerWaalsContact N-CZ 3.33Å
283	V	95.8	Very high	91.8	Very high	79 Å²	79	57.9 Å²	57.9	48%	0.479	32%	0.317	S	S	.	.			trans	-126.7	164.7	176.5	-63.2	0	0	0	0	111.5	G285 D286	V283-G285 PolarHBondContact O-N 3.45Å; V283-D286 PolarHBondContact N-OD2 2.92Å; V283-D286 WeakPolarHBondContact O-CB 3.48Å; V283-D286 PolarHBondContact O-N 3.32Å
284	A	96.1	Very high	92	Very high	61 Å²	61	52 Å²	52	50%	0.504	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	132.7	175.1	0	0	0	0	0	110.5	I316 L330	A284-I316 CarbonylContact C-O 3.6Å; A284-I316 WeakPolarHBondContact CA-O 3.42Å; A284-L330 HydrophobicContact CB-CD2 4.24Å
285	G	94.3	Very high	92.4	Very high	16 Å²	16	50.8 Å²	50.8	17%	0.165	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-7.6	-171.9	0	0	0	0	0	115.2	V283 I316 N374	V283-G285 PolarHBondContact O-N 3.45Å; G285-I316 PolarHBondContact N-O 2.83Å; G285-N374 PolarHBondContact O-ND2 3.36Å
286	D	94.7	Very high	92.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.			trans	-69.3	140.2	166.4	-73.6	-18.7	0	0	0	110.3	R280 S282 V283 Y315 I316 F372 H373 N374	R280-D286 IonicContact NE-OD2 3.25Å; R280-D286 IonicContact NH2-OD1 3.52Å; R280-D286 PolarHBondContact NH2-OD1 3.3Å; R280-D286 IonicContact NH2-OD2 3.73Å; S282-D286 WeakPolarHBondContact CA-OD2 3.32Å; V283-D286 PolarHBondContact N-OD2 2.92Å; V283-D286 WeakPolarHBondContact O-CB 3.48Å; V283-D286 PolarHBondContact O-N 3.32Å; D286-Y315 WeakPolarHBondContact O-CA 3.22Å; D286-I316 HydrophobicContact CB-CG1 4.47Å; D286-I316 PolarHBondContact O-N 2.83Å; D286-F372 HydrophobicContact CB-CD2 4.37Å; D286-F372 WeakPolarHBondContact OD2-CD2 3.09Å; D286-H373 CarbonylContact C-O 3.47Å; D286-H373 VanDerWaalsContact CA-O 3.29Å; D286-H373 WeakPolarHBondContact CA-O 3.34Å; D286-N374 WeakPolarHBondContact OD1-CB 3.41Å; D286-N374 PolarHBondContact OD1-ND2 3.02Å
287	Y	92.8	Very high	93.3	Very high	29 Å²	29	42.5 Å²	42.5	11%	0.114	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.8	166.8	-167.7	-88.8	0	0	0	109.2	R289 N313 T314 Y315 F372 H373 S471	Y287-R289 HydrophobicContact CE1-CG 4.39Å; Y287-N313 HydrophobicContact CE1-CB 3.76Å; Y287-N313 WeakPolarHBondContact OH-CB 3.43Å; Y287-T314 CarbonylContact C-O 3.54Å; Y287-T314 WeakPolarHBondContact CA-O 3.49Å; Y287-Y315 AromaticContact CD2-CD1 3.83Å; Y287-Y315 HydrophobicContact CD2-CD1 3.83Å; Y287-Y315 AromaticContact CD2-CD2 3.81Å; Y287-Y315 HydrophobicContact CD2-CD2 3.81Å; Y287-Y315 AromaticContact CD2-CE1 3.64Å; Y287-Y315 HydrophobicContact CD2-CE1 3.64Å; Y287-Y315 AromaticContact CD2-CE2 3.61Å; Y287-Y315 HydrophobicContact CD2-CE2 3.61Å; Y287-Y315 AromaticContact CD2-CG 3.91Å; Y287-Y315 HydrophobicContact CD2-CG 3.91Å; Y287-Y315 AromaticContact CD2-CZ 3.51Å; Y287-Y315 HydrophobicContact CE2-CD2 4.29Å; Y287-Y315 AromaticContact CE2-CE2 3.96Å; Y287-Y315 HydrophobicContact CE2-CE2 3.96Å; Y287-Y315 HydrophobicContact CG-CD1 4.35Å; Y287-Y315 HydrophobicContact CG-CE1 4.18Å; Y287-F372 CarbonylContact O-C 3.51Å; Y287-F372 WeakPolarHBondContact O-CA 3.39Å; Y287-F372 WeakPolarHBondContact O-CB 3.37Å; Y287-H373 AromaticContact CD1-CE1 3.62Å; Y287-H373 PolarHBondContact N-O 2.98Å; Y287-H373 PolarHBondContact O-N 2.82Å; Y287-S471 WeakPolarHBondContact CE1-OG 3.46Å
288	I	93.1	Very high	93.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.3	-176.3	-169.6	160.7	0	0	0	111	Y290 N313 T314 I316 L329 V332 V369 F372	I288-Y290 HydrophobicContact CG1-CD1 4.2Å; I288-Y290 HydrophobicContact CG2-CD1 3.86Å; I288-Y290 HydrophobicContact CG2-CE1 4.03Å; I288-N313 WeakPolarHBondContact O-CA 3.43Å; I288-T314 HydrophobicContact CG2-CG2 3.85Å; I288-T314 WeakPolarHBondContact CG2-O 3.44Å; I288-T314 PolarHBondContact N-O 2.85Å; I288-T314 PolarHBondContact O-N 3.1Å; I288-T314 VanDerWaalsContact O-N 3.14Å; I288-I316 HydrophobicContact CB-CG2 4.33Å; I288-I316 HydrophobicContact CG2-CG2 3.43Å; I288-I316 VanDerWaalsContact CG2-CG2 3.43Å; I288-L329 HydrophobicContact CD1-CB 4.43Å; I288-L329 HydrophobicContact CD1-CD2 4.15Å; I288-L329 HydrophobicContact CG2-CD1 4.26Å; I288-V332 HydrophobicContact CD1-CG2 3.71Å; I288-V369 HydrophobicContact CD1-CG1 4.03Å; I288-V369 HydrophobicContact CD1-CG2 4.26Å; I288-V369 HydrophobicContact CG1-CG1 4.28Å; I288-F372 HydrophobicContact CB-CB 4Å; I288-F372 HydrophobicContact CG1-CB 4.04Å
289	R	92.1	Very high	93.7	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.6	166.7	-54.5	-168.3	-59.8	125.9	-2.2	108.9	Y287 T311 Y312 N313 I370 D371 S470	Y287-R289 HydrophobicContact CE1-CG 4.39Å; R289-T311 HydrophobicContact CB-CG2 4.33Å; R289-Y312 WeakPolarHBondContact CA-O 3.35Å; R289-N313 HydrophobicContact CG-CB 4.46Å; R289-N313 WeakPolarHBondContact CG-OD1 3.28Å; R289-I370 WeakPolarHBondContact O-CB 3.48Å; R289-I370 PolarHBondContact O-N 2.83Å; R289-D371 WeakPolarHBondContact CG-OD1 3.34Å; R289-D371 IonicContact CZ-OD1 3.85Å; R289-D371 IonicContact CZ-OD2 2.67Å; R289-D371 PolarHBondContact N-O 3.41Å; R289-D371 IonicContact NE-OD1 2.81Å; R289-D371 PolarHBondContact NE-OD1 3.34Å; R289-D371 IonicContact NE-OD2 3.92Å; R289-D371 PolarHBondContact NE-OD2 3.08Å; R289-D371 VanDerWaalsContact NH2-CG 3.26Å; R289-D371 IonicContact NH2-OD1 3.94Å; R289-D371 PolarHBondContact NH2-OD1 3.35Å; R289-D371 IonicContact NH2-OD2 3.96Å; R289-D371 PolarHBondContact NH2-OD2 3.28Å; R289-D371 PolarHBondContact O-N 2.8Å; R289-S470 VanDerWaalsContact CD-O 3.26Å; R289-S470 WeakPolarHBondContact CD-O 3.38Å
290	Y	94.4	Very high	94.1	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.9	-179.1	64.6	-83.9	0	0	0	112.2	I288 Y292 T311 Y312 T314 M325 L329 V367 H368	I288-Y290 HydrophobicContact CG1-CD1 4.2Å; I288-Y290 HydrophobicContact CG2-CD1 3.86Å; I288-Y290 HydrophobicContact CG2-CE1 4.03Å; Y290-Y292 HydrophobicContact CD2-CD1 4.05Å; Y290-Y292 AromaticContact CE2-CD1 3.53Å; Y290-Y292 HydrophobicContact CE2-CD1 3.53Å; Y290-Y292 HydrophobicContact CE2-CE1 4.3Å; Y290-Y292 HydrophobicContact CE2-CG 4.25Å; Y290-T311 CarbonylContact O-C 3.55Å; Y290-T311 WeakPolarHBondContact O-CA 3.49Å; Y290-Y312 WeakPolarHBondContact CD1-O 3.48Å; Y290-Y312 AromaticContact CE1-CD1 3.85Å; Y290-Y312 HydrophobicContact CE1-CD1 3.85Å; Y290-Y312 HydrophobicContact CE1-CG 4.5Å; Y290-Y312 AromaticContact CZ-CD1 3.69Å; Y290-Y312 PolarHBondContact N-O 2.84Å; Y290-Y312 PolarHBondContact O-N 2.84Å; Y290-Y312 VanDerWaalsContact OH-CD1 3.28Å; Y290-Y312 WeakPolarHBondContact OH-CD1 3.44Å; Y290-T314 HydrophobicContact CE1-CG2 4.15Å; Y290-M325 HydrophobicContact CD2-CE 4.13Å; Y290-M325 HydrophobicContact CE2-CE 3.32Å; Y290-L329 HydrophobicContact CD1-CD1 4.1Å; Y290-L329 HydrophobicContact CD1-CD2 4.48Å; Y290-L329 HydrophobicContact CE1-CD1 3.53Å; Y290-V367 HydrophobicContact CD2-CG1 3.94Å; Y290-V367 HydrophobicContact CG-CG1 4.3Å; Y290-H368 CarbonylContact C-O 3.48Å; Y290-H368 WeakPolarHBondContact CA-O 3.36Å; Y290-H368 WeakPolarHBondContact CB-O 3.24Å
291	H	96	Very high	94.5	Very high	32 Å²	32	38.6 Å²	38.6	15%	0.148	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	151.7	162.2	-77.5	-75.8	0	0	0	110.6	S305 Y306 S310 H368	H291-S305 VanDerWaalsContact CA-OG 3.25Å; H291-S305 WeakPolarHBondContact CA-OG 3.42Å; H291-S305 WeakPolarHBondContact CB-OG 3.37Å; H291-S305 PolarHBondContact ND1-OG 2.72Å; H291-Y306 HydrophobicContact CB-CD1 4.45Å; H291-Y306 HydrophobicContact CB-CD2 4.42Å; H291-Y306 HydrophobicContact CB-CE1 3.78Å; H291-Y306 HydrophobicContact CB-CE2 3.75Å; H291-Y306 WeakPolarHBondContact CB-OH 3.43Å; H291-Y306 AromaticContact CG-CE1 3.66Å; H291-Y306 AromaticContact CG-CZ 3.84Å; H291-Y306 AromaticContact ND1-CD1 3.86Å; H291-Y306 AromaticContact ND1-CE1 3.9Å; H291-S310 VanDerWaalsContact CE1-C 3.42Å; H291-S310 PolarHBondContact CE1-O 2.72Å; H291-S310 PolarHBondContact ND1-O 3.14Å; H291-H368 HydrophobicContact CB-CB 4.44Å; H291-H368 PolarHBondContact N-O 3.2Å; H291-H368 PolarHBondContact O-N 3.37Å
292	Y	97.3	Very high	94.6	Very high	17 Å²	17	34.2 Å²	34.2	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.7	172.4	68.2	-93.2	0	0	0	113.7	Y290 D303 T304 S305 R308 Y312 F365 D366	Y290-Y292 HydrophobicContact CD2-CD1 4.05Å; Y290-Y292 AromaticContact CE2-CD1 3.53Å; Y290-Y292 HydrophobicContact CE2-CD1 3.53Å; Y290-Y292 HydrophobicContact CE2-CE1 4.3Å; Y290-Y292 HydrophobicContact CE2-CG 4.25Å; Y292-D303 HydrophobicContact CE2-CB 4.31Å; Y292-D303 WeakPolarHBondContact CE2-OD2 3.46Å; Y292-D303 VanDerWaalsContact CZ-OD2 3.31Å; Y292-D303 PolarHBondContact OH-OD2 2.88Å; Y292-T304 WeakPolarHBondContact O-CA 3.42Å; Y292-T304 PolarHBondContact O-OG1 3.48Å; Y292-S305 PolarHBondContact N-OG 3.2Å; Y292-S305 PolarHBondContact O-N 3.37Å; Y292-S305 PolarHBondContact O-OG 3.01Å; Y292-R308 PolarHBondContact OH-NH2 3.45Å; Y292-Y312 AromaticContact CE1-CD2 3.95Å; Y292-Y312 HydrophobicContact CE1-CD2 3.95Å; Y292-Y312 HydrophobicContact CE1-CG 4.02Å; Y292-F365 AromaticContact CD2-CD1 3.74Å; Y292-F365 HydrophobicContact CD2-CD1 3.74Å; Y292-F365 AromaticContact CD2-CE1 3.91Å; Y292-F365 HydrophobicContact CD2-CE1 3.91Å; Y292-F365 HydrophobicContact CE2-CD1 4.34Å; Y292-F365 HydrophobicContact CE2-CE1 4.03Å; Y292-F365 HydrophobicContact CG-CD1 4.21Å; Y292-D366 CarbonylContact C-O 3.52Å; Y292-D366 WeakPolarHBondContact CA-O 3.48Å
293	N	97.9	Very high	94.6	Very high	58 Å²	58	36.1 Å²	36.1	31%	0.31	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.4	156.9	-67.7	-35.9	0	0	0	108.8	T304 Y306 F365 D366	N293-T304 VanDerWaalsContact OD1-CB 3.24Å; N293-T304 WeakPolarHBondContact OD1-CB 3.42Å; N293-T304 PolarHBondContact OD1-OG1 3.3Å; N293-Y306 WeakPolarHBondContact OD1-CD2 3.43Å; N293-F365 WeakPolarHBondContact O-CA 3.27Å; N293-D366 HydrophobicContact CB-CB 4.47Å; N293-D366 PolarHBondContact N-O 3.25Å; N293-D366 PolarHBondContact O-N 2.85Å
294	G	97.7	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.6	176.9	0	0	0	0	0	111.4	T301 F302 D303	G294-T301 WeakPolarHBondContact O-CA 3.46Å; G294-T301 WeakPolarHBondContact O-CG2 3.3Å; G294-F302 WeakPolarHBondContact O-CD1 3.49Å; G294-F302 PolarHBondContact O-N 2.79Å; G294-D303 PolarHBondContact N-O 3.24Å; G294-D303 PolarHBondContact O-N 3.04Å
295	T	97.1	Very high	94.6	Very high	16 Å²	16	29.8 Å²	29.8	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156	-178.9	59	0	0	0	0	111	V300 T301 F302 V364	T295-V300 CarbonylContact C-O 3.58Å; T295-V300 VanDerWaalsContact CA-O 3.25Å; T295-V300 WeakPolarHBondContact CA-O 3.46Å; T295-T301 HydrophobicContact CG2-CG2 4.4Å; T295-F302 VanDerWaalsContact N-CE1 3.33Å; T295-F302 WeakPolarHBondContact O-CE1 3.31Å; T295-V364 PolarHBondContact N-O 3.02Å; T295-V364 WeakPolarHBondContact O-CA 3.42Å; T295-V364 WeakPolarHBondContact O-CB 3.35Å; T295-V364 PolarHBondContact O-N 2.9Å; T295-V364 PolarHBondContact OG1-O 2.98Å
296	F	95.3	Very high	94.5	Very high	24 Å²	24	33.7 Å²	33.7	11%	0.105	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	169.6	166.7	-55.5	-63.6	0	0	0	110.8	N298 G299 V300 F302 I357 P358 A361 L363	F296-N298 PolarHBondContact O-N 2.96Å; F296-N298 VanDerWaalsContact O-N 3.12Å; F296-G299 PolarHBondContact O-N 3.45Å; F296-V300 HydrophobicContact CD2-CB 4.27Å; F296-V300 HydrophobicContact CD2-CG1 4.49Å; F296-V300 PolarHBondContact N-O 3.19Å; F296-F302 AromaticContact CD1-CD1 3.97Å; F296-F302 HydrophobicContact CD1-CD1 3.97Å; F296-F302 HydrophobicContact CD1-CE1 4.31Å; F296-F302 HydrophobicContact CD2-CD1 4.3Å; F296-F302 AromaticContact CE1-CD1 3.64Å; F296-F302 HydrophobicContact CE1-CD1 3.64Å; F296-F302 HydrophobicContact CE1-CE1 4.16Å; F296-F302 HydrophobicContact CE1-CG 4.28Å; F296-F302 HydrophobicContact CE2-CB 3.82Å; F296-F302 HydrophobicContact CE2-CD1 4.01Å; F296-F302 HydrophobicContact CE2-CG 4.34Å; F296-F302 HydrophobicContact CG-CD1 4.28Å; F296-F302 HydrophobicContact CZ-CB 3.72Å; F296-F302 AromaticContact CZ-CD1 3.65Å; F296-F302 HydrophobicContact CZ-CD1 3.65Å; F296-F302 AromaticContact CZ-CG 3.93Å; F296-F302 HydrophobicContact CZ-CG 3.93Å; F296-I357 HydrophobicContact CE1-CG2 4.47Å; F296-P358 HydrophobicContact CZ-CG 4.45Å; F296-A361 HydrophobicContact CD1-CB 4.08Å; F296-A361 HydrophobicContact CE1-CB 3.94Å; F296-L363 HydrophobicContact CD1-CD2 4.01Å; F296-L363 HydrophobicContact CE1-CD2 3.8Å
297	L	92.6	Very high	94.4	Very high	56 Å²	56	41.2 Å²	41.2	29%	0.293	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.1	177.2	-77.8	-178.3	0	0	0	114	V222 D259 I260 G299 I341 V362 V364	V222-L297 HydrophobicContact CB-CB 4.46Å; V222-L297 HydrophobicContact CG1-CB 3.94Å; V222-L297 HydrophobicContact CG2-CB 4.24Å; V222-L297 HydrophobicContact CG2-CD1 4.27Å; D259-L297 WeakPolarHBondContact OD1-CD1 3.21Å; I260-L297 HydrophobicContact CG1-CD1 4.21Å; I260-L297 VanDerWaalsContact O-CD1 3.3Å; I260-L297 WeakPolarHBondContact O-CD1 3.43Å; L297-G299 PolarHBondContact O-N 3.03Å; L297-I341 HydrophobicContact CD2-CG2 4.21Å; L297-V362 HydrophobicContact CD1-CB 3.96Å; L297-V362 HydrophobicContact CD1-CG1 3.9Å; L297-V362 HydrophobicContact CD1-CG2 4.17Å; L297-V362 HydrophobicContact CD2-CG1 4.25Å; L297-V362 HydrophobicContact CG-CB 3.99Å; L297-V362 HydrophobicContact CG-CG1 3.78Å; L297-V364 HydrophobicContact CD2-CG2 3.73Å; L297-V364 HydrophobicContact CG-CG2 4.35Å
298	N	89.7	Confident	94.1	Very high	57 Å²	57	45.4 Å²	45.4	31%	0.305	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.5	173.3	70.7	9.1	0	0	0	114	V222 E258 F296 V300	V222-N298 HydrophobicContact CG1-CB 3.97Å; E258-N298 PolarHBondContact OE2-ND2 2.86Å; F296-N298 PolarHBondContact O-N 2.96Å; F296-N298 VanDerWaalsContact O-N 3.12Å; N298-V300 WeakPolarHBondContact OD1-CB 3.36Å; N298-V300 WeakPolarHBondContact OD1-CG2 3.47Å; N298-V300 PolarHBondContact OD1-N 3.02Å
299	G	90.9	Very high	93.8	Very high	51 Å²	51	52.7 Å²	52.7	53%	0.526	27%	0.274	S	S	.	.			trans	86.2	-2.2	178.8	0	0	0	0	0	115.6	F296 L297 T301	F296-G299 PolarHBondContact O-N 3.45Å; L297-G299 PolarHBondContact O-N 3.03Å; G299-T301 PolarHBondContact O-N 3.24Å
300	V	92	Very high	93.5	Very high	84 Å²	84	55 Å²	55	51%	0.509	29%	0.291	S	S	.	.			trans	-71.9	123.2	177.4	175.8	0	0	0	0	110.3	T295 F296 N298	T295-V300 CarbonylContact C-O 3.58Å; T295-V300 VanDerWaalsContact CA-O 3.25Å; T295-V300 WeakPolarHBondContact CA-O 3.46Å; F296-V300 HydrophobicContact CD2-CB 4.27Å; F296-V300 HydrophobicContact CD2-CG1 4.49Å; F296-V300 PolarHBondContact N-O 3.19Å; N298-V300 WeakPolarHBondContact OD1-CB 3.36Å; N298-V300 WeakPolarHBondContact OD1-CG2 3.47Å; N298-V300 PolarHBondContact OD1-N 3.02Å
301	T	96.1	Very high	93.3	Very high	83 Å²	83	56 Å²	56	51%	0.509	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.8	176	-44.9	0	0	0	0	111.6	G294 T295 G299	G294-T301 WeakPolarHBondContact O-CA 3.46Å; G294-T301 WeakPolarHBondContact O-CG2 3.3Å; T295-T301 HydrophobicContact CG2-CG2 4.4Å; G299-T301 PolarHBondContact O-N 3.24Å
302	F	95.8	Very high	93.2	Very high	36 Å²	36	58.7 Å²	58.7	16%	0.158	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-27.3	175.4	64	-103.2	0	0	0	113.6	G294 T295 F296 V356 I357 L363 F365	G294-F302 WeakPolarHBondContact O-CD1 3.49Å; G294-F302 PolarHBondContact O-N 2.79Å; T295-F302 VanDerWaalsContact N-CE1 3.33Å; T295-F302 WeakPolarHBondContact O-CE1 3.31Å; F296-F302 AromaticContact CD1-CD1 3.97Å; F296-F302 HydrophobicContact CD1-CD1 3.97Å; F296-F302 HydrophobicContact CD1-CE1 4.31Å; F296-F302 HydrophobicContact CD2-CD1 4.3Å; F296-F302 AromaticContact CE1-CD1 3.64Å; F296-F302 HydrophobicContact CE1-CD1 3.64Å; F296-F302 HydrophobicContact CE1-CE1 4.16Å; F296-F302 HydrophobicContact CE1-CG 4.28Å; F296-F302 HydrophobicContact CE2-CB 3.82Å; F296-F302 HydrophobicContact CE2-CD1 4.01Å; F296-F302 HydrophobicContact CE2-CG 4.34Å; F296-F302 HydrophobicContact CG-CD1 4.28Å; F296-F302 HydrophobicContact CZ-CB 3.72Å; F296-F302 AromaticContact CZ-CD1 3.65Å; F296-F302 HydrophobicContact CZ-CD1 3.65Å; F296-F302 AromaticContact CZ-CG 3.93Å; F296-F302 HydrophobicContact CZ-CG 3.93Å; F302-V356 HydrophobicContact CB-CG1 4.04Å; F302-I357 HydrophobicContact CD2-CD1 4.14Å; F302-I357 HydrophobicContact CD2-CG1 4.2Å; F302-I357 HydrophobicContact CE2-CD1 4Å; F302-L363 HydrophobicContact CD1-CD2 4.49Å; F302-L363 HydrophobicContact CE1-CB 4.3Å; F302-L363 HydrophobicContact CE1-CD2 3.74Å; F302-L363 HydrophobicContact CE1-CG 4.45Å; F302-L363 HydrophobicContact CZ-CB 4.23Å; F302-L363 HydrophobicContact CZ-CD1 4.11Å; F302-L363 HydrophobicContact CZ-CD2 3.94Å; F302-L363 HydrophobicContact CZ-CG 4.32Å; F302-F365 HydrophobicContact CE2-CE1 4.23Å; F302-F365 HydrophobicContact CE2-CZ 4.14Å; F302-F365 AromaticContact CZ-CE1 3.96Å; F302-F365 HydrophobicContact CZ-CE1 3.96Å; F302-F365 HydrophobicContact CZ-CE2 4.32Å; F302-F365 AromaticContact CZ-CZ 3.71Å; F302-F365 HydrophobicContact CZ-CZ 3.71Å
303	D	95.1	Very high	92.9	Very high	44 Å²	44	59.8 Å²	59.8	24%	0.235	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157.3	176	-173.8	29.3	0	0	0	111.3	Y292 G294 R308	Y292-D303 HydrophobicContact CE2-CB 4.31Å; Y292-D303 WeakPolarHBondContact CE2-OD2 3.46Å; Y292-D303 VanDerWaalsContact CZ-OD2 3.31Å; Y292-D303 PolarHBondContact OH-OD2 2.88Å; G294-D303 PolarHBondContact N-O 3.24Å; G294-D303 PolarHBondContact O-N 3.04Å; D303-R308 IonicContact OD1-CZ 3.66Å; D303-R308 IonicContact OD1-NH1 3.34Å; D303-R308 PolarHBondContact OD1-NH1 2.77Å; D303-R308 IonicContact OD1-NH2 2.7Å; D303-R308 IonicContact OD2-CZ 3.4Å; D303-R308 IonicContact OD2-NH1 3.19Å; D303-R308 PolarHBondContact OD2-NH1 3.01Å; D303-R308 IonicContact OD2-NH2 2.79Å; D303-R308 PolarHBondContact OD2-NH2 3.21Å
304	T	96.5	Very high	92.7	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.049	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	135.5	171.6	167.9	0	0	0	0	111.5	Y292 N293 Y306 Q307	Y292-T304 WeakPolarHBondContact O-CA 3.42Å; Y292-T304 PolarHBondContact O-OG1 3.48Å; N293-T304 VanDerWaalsContact OD1-CB 3.24Å; N293-T304 WeakPolarHBondContact OD1-CB 3.42Å; N293-T304 PolarHBondContact OD1-OG1 3.3Å; T304-Y306 VanDerWaalsContact C-N 3.26Å; T304-Y306 PolarHBondContact O-N 2.85Å; T304-Y306 PolarHBondContact OG1-N 3.03Å; T304-Y306 VanDerWaalsContact OG1-N 3.16Å; T304-Q307 HydrophobicContact CG2-CB 3.97Å; T304-Q307 HydrophobicContact CG2-CG 3.49Å; T304-Q307 VanDerWaalsContact CG2-CG 3.49Å
305	S	95.8	Very high	92.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-66.6	-27.1	174.5	65.8	0	0	0	0	113.1	H291 Y292 Q307 R308 N309 S310	H291-S305 VanDerWaalsContact CA-OG 3.25Å; H291-S305 WeakPolarHBondContact CA-OG 3.42Å; H291-S305 WeakPolarHBondContact CB-OG 3.37Å; H291-S305 PolarHBondContact ND1-OG 2.72Å; Y292-S305 PolarHBondContact N-OG 3.2Å; Y292-S305 PolarHBondContact O-N 3.37Å; Y292-S305 PolarHBondContact O-OG 3.01Å; S305-Q307 VanDerWaalsContact C-N 3.32Å; S305-Q307 PolarHBondContact O-N 3.38Å; S305-R308 PolarHBondContact O-N 2.65Å; S305-N309 PolarHBondContact O-N 2.86Å; S305-S310 WeakPolarHBondContact CB-O 3.34Å
306	Y	92.3	Very high	92.5	Very high	98 Å²	98	59.3 Å²	59.3	38%	0.384	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-66.7	-32.7	-178	-66.9	-77.8	0	0	0	112.1	H291 N293 T304 R308 N309 H368	H291-Y306 HydrophobicContact CB-CD1 4.45Å; H291-Y306 HydrophobicContact CB-CD2 4.42Å; H291-Y306 HydrophobicContact CB-CE1 3.78Å; H291-Y306 HydrophobicContact CB-CE2 3.75Å; H291-Y306 WeakPolarHBondContact CB-OH 3.43Å; H291-Y306 AromaticContact CG-CE1 3.66Å; H291-Y306 AromaticContact CG-CZ 3.84Å; H291-Y306 AromaticContact ND1-CD1 3.86Å; H291-Y306 AromaticContact ND1-CE1 3.9Å; N293-Y306 WeakPolarHBondContact OD1-CD2 3.43Å; T304-Y306 VanDerWaalsContact C-N 3.26Å; T304-Y306 PolarHBondContact O-N 2.85Å; T304-Y306 PolarHBondContact OG1-N 3.03Å; T304-Y306 VanDerWaalsContact OG1-N 3.16Å; Y306-R308 PolarHBondContact O-N 2.76Å; Y306-N309 PolarHBondContact O-N 3.11Å; Y306-N309 VanDerWaalsContact O-N 3.15Å; Y306-N309 PolarHBondContact O-OD1 2.66Å; Y306-H368 PolarHBondContact OH-ND1 2.8Å
307	Q	91.1	Very high	92.5	Very high	158 Å²	158	59.8 Å²	59.8	74%	0.738	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-64.8	-19.9	173.2	-76.9	175	6.9	0	0	113.4	T304 S305	T304-Q307 HydrophobicContact CG2-CB 3.97Å; T304-Q307 HydrophobicContact CG2-CG 3.49Å; T304-Q307 VanDerWaalsContact CG2-CG 3.49Å; S305-Q307 VanDerWaalsContact C-N 3.32Å; S305-Q307 PolarHBondContact O-N 3.38Å
308	R	88.1	Confident	92.6	Very high	116 Å²	116	62.1 Å²	62.1	44%	0.438	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-94.7	-4.9	177.4	-62.3	-173.5	-72.6	-100.9	1.2	113.3	Y292 D303 S305 Y306 S310	Y292-R308 PolarHBondContact OH-NH2 3.45Å; D303-R308 IonicContact OD1-CZ 3.66Å; D303-R308 IonicContact OD1-NH1 3.34Å; D303-R308 PolarHBondContact OD1-NH1 2.77Å; D303-R308 IonicContact OD1-NH2 2.7Å; D303-R308 IonicContact OD2-CZ 3.4Å; D303-R308 IonicContact OD2-NH1 3.19Å; D303-R308 PolarHBondContact OD2-NH1 3.01Å; D303-R308 IonicContact OD2-NH2 2.79Å; D303-R308 PolarHBondContact OD2-NH2 3.21Å; S305-R308 PolarHBondContact O-N 2.65Å; Y306-R308 PolarHBondContact O-N 2.76Å; R308-S310 PolarHBondContact O-N 3.43Å
309	N	85.1	Confident	92.8	Very high	154 Å²	154	62.2 Å²	62.2	82%	0.824	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	31.3	-172.3	-66.4	-38.4	0	0	0	113.9	S305 Y306	S305-N309 PolarHBondContact O-N 2.86Å; Y306-N309 PolarHBondContact O-N 3.11Å; Y306-N309 VanDerWaalsContact O-N 3.15Å; Y306-N309 PolarHBondContact O-OD1 2.66Å
310	S	86.8	Confident	93	Very high	56 Å²	56	66.4 Å²	66.4	39%	0.392	35%	0.346	S	S	.	.	S	Bend	trans	-140.1	151	179.6	64	0	0	0	0	111.6	H291 S305 R308	H291-S310 VanDerWaalsContact CE1-C 3.42Å; H291-S310 PolarHBondContact CE1-O 2.72Å; H291-S310 PolarHBondContact ND1-O 3.14Å; S305-S310 WeakPolarHBondContact CB-O 3.34Å; R308-S310 PolarHBondContact O-N 3.43Å
311	T	90.8	Very high	93.2	Very high	27 Å²	27	63.4 Å²	63.4	17%	0.166	33%	0.328	C	S	.	.			trans	-70.4	154.7	167.4	47.6	0	0	0	0	110.5	R289 Y290 N313 I370	R289-T311 HydrophobicContact CB-CG2 4.33Å; Y290-T311 CarbonylContact O-C 3.55Å; Y290-T311 WeakPolarHBondContact O-CA 3.49Å; T311-N313 VanDerWaalsContact CB-OD1 3.29Å; T311-N313 WeakPolarHBondContact CB-OD1 3.47Å; T311-N313 PolarHBondContact OG1-OD1 2.68Å; T311-I370 HydrophobicContact CG2-CB 4.49Å; T311-I370 HydrophobicContact CG2-CG1 3.86Å
312	Y	93.1	Very high	93.3	Very high	89 Å²	89	60.6 Å²	60.6	35%	0.349	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.2	159.3	-164.4	-83.4	0	0	0	108.5	R289 Y290 Y292 T314 V321	R289-Y312 WeakPolarHBondContact CA-O 3.35Å; Y290-Y312 WeakPolarHBondContact CD1-O 3.48Å; Y290-Y312 AromaticContact CE1-CD1 3.85Å; Y290-Y312 HydrophobicContact CE1-CD1 3.85Å; Y290-Y312 HydrophobicContact CE1-CG 4.5Å; Y290-Y312 AromaticContact CZ-CD1 3.69Å; Y290-Y312 PolarHBondContact N-O 2.84Å; Y290-Y312 PolarHBondContact O-N 2.84Å; Y290-Y312 VanDerWaalsContact OH-CD1 3.28Å; Y290-Y312 WeakPolarHBondContact OH-CD1 3.44Å; Y292-Y312 AromaticContact CE1-CD2 3.95Å; Y292-Y312 HydrophobicContact CE1-CD2 3.95Å; Y292-Y312 HydrophobicContact CE1-CG 4.02Å; Y312-T314 HydrophobicContact CD1-CG2 4.33Å; Y312-T314 HydrophobicContact CE1-CG2 4.19Å; Y312-V321 HydrophobicContact CE1-CG1 3.64Å
313	N	91.8	Very high	93.4	Very high	41 Å²	41	62 Å²	62	22%	0.219	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.3	-172.3	-56.5	-8.8	0	0	0	109.2	Y287 I288 R289 T311 S470	Y287-N313 HydrophobicContact CE1-CB 3.76Å; Y287-N313 WeakPolarHBondContact OH-CB 3.43Å; I288-N313 WeakPolarHBondContact O-CA 3.43Å; R289-N313 HydrophobicContact CG-CB 4.46Å; R289-N313 WeakPolarHBondContact CG-OD1 3.28Å; T311-N313 VanDerWaalsContact CB-OD1 3.29Å; T311-N313 WeakPolarHBondContact CB-OD1 3.47Å; T311-N313 PolarHBondContact OG1-OD1 2.68Å; N313-S470 PolarHBondContact ND2-OG 3.48Å
314	T	93.7	Very high	93.5	Very high	9 Å²	9	60 Å²	60	6%	0.055	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	158.9	-177.7	-173.1	0	0	0	0	111.5	Y287 I288 Y290 Y312 I316 Y320 V321	Y287-T314 CarbonylContact C-O 3.54Å; Y287-T314 WeakPolarHBondContact CA-O 3.49Å; I288-T314 HydrophobicContact CG2-CG2 3.85Å; I288-T314 WeakPolarHBondContact CG2-O 3.44Å; I288-T314 PolarHBondContact N-O 2.85Å; I288-T314 PolarHBondContact O-N 3.1Å; I288-T314 VanDerWaalsContact O-N 3.14Å; Y290-T314 HydrophobicContact CE1-CG2 4.15Å; Y312-T314 HydrophobicContact CD1-CG2 4.33Å; Y312-T314 HydrophobicContact CE1-CG2 4.19Å; T314-I316 HydrophobicContact CG2-CG2 4.23Å; T314-Y320 WeakPolarHBondContact OG1-CB 3.27Å; T314-V321 HydrophobicContact CG2-CG1 3.94Å
315	Y	93.9	Very high	93.6	Very high	55 Å²	55	59.8 Å²	59.8	22%	0.216	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	143.9	156.8	-59.2	-82.8	0	0	0	109.8	D286 Y287 M318 Y320 P375	D286-Y315 WeakPolarHBondContact O-CA 3.22Å; Y287-Y315 AromaticContact CD2-CD1 3.83Å; Y287-Y315 HydrophobicContact CD2-CD1 3.83Å; Y287-Y315 AromaticContact CD2-CD2 3.81Å; Y287-Y315 HydrophobicContact CD2-CD2 3.81Å; Y287-Y315 AromaticContact CD2-CE1 3.64Å; Y287-Y315 HydrophobicContact CD2-CE1 3.64Å; Y287-Y315 AromaticContact CD2-CE2 3.61Å; Y287-Y315 HydrophobicContact CD2-CE2 3.61Å; Y287-Y315 AromaticContact CD2-CG 3.91Å; Y287-Y315 HydrophobicContact CD2-CG 3.91Å; Y287-Y315 AromaticContact CD2-CZ 3.51Å; Y287-Y315 HydrophobicContact CE2-CD2 4.29Å; Y287-Y315 AromaticContact CE2-CE2 3.96Å; Y287-Y315 HydrophobicContact CE2-CE2 3.96Å; Y287-Y315 HydrophobicContact CG-CD1 4.35Å; Y287-Y315 HydrophobicContact CG-CE1 4.18Å; Y315-M318 HydrophobicContact CG-SD 4.24Å; Y315-Y320 HydrophobicContact CD2-CD2 4.32Å; Y315-Y320 AromaticContact CD2-CE2 3.93Å; Y315-Y320 HydrophobicContact CD2-CE2 3.93Å; Y315-Y320 HydrophobicContact CG-CE2 4.22Å; Y315-P375 HydrophobicContact CE1-CG 3.64Å
316	I	95.9	Very high	93.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-107.7	152.9	177.6	60.8	168.1	0	0	0	113.1	A284 G285 D286 I288 T314 M318 D326 L329 L330	A284-I316 CarbonylContact C-O 3.6Å; A284-I316 WeakPolarHBondContact CA-O 3.42Å; G285-I316 PolarHBondContact N-O 2.83Å; D286-I316 HydrophobicContact CB-CG1 4.47Å; D286-I316 PolarHBondContact O-N 2.83Å; I288-I316 HydrophobicContact CB-CG2 4.33Å; I288-I316 HydrophobicContact CG2-CG2 3.43Å; I288-I316 VanDerWaalsContact CG2-CG2 3.43Å; T314-I316 HydrophobicContact CG2-CG2 4.23Å; I316-M318 PolarHBondContact O-N 3.27Å; I316-D326 WeakPolarHBondContact CA-OD1 3.36Å; I316-L329 HydrophobicContact CD1-CB 4.34Å; I316-L329 WeakPolarHBondContact CD1-O 3.44Å; I316-L329 HydrophobicContact CG2-CB 3.81Å; I316-L329 HydrophobicContact CG2-CD1 3.83Å; I316-L329 HydrophobicContact CG2-CG 4.49Å; I316-L330 HydrophobicContact CD1-CD2 3.96Å; I316-L330 HydrophobicContact CG1-CD2 4.44Å
317	G	94.6	Very high	93.9	Very high	34 Å²	34	59.5 Å²	59.5	35%	0.351	31%	0.312	S	S	.	.	S	Bend	trans	67.1	24.4	-177.7	0	0	0	0	0	113.2	D326	G317-D326 VanDerWaalsContact CA-OD2 3.29Å; G317-D326 WeakPolarHBondContact CA-OD2 3.35Å; G317-D326 PolarHBondContact N-OD1 2.65Å; G317-D326 PolarHBondContact N-OD2 2.83Å
318	M	94.9	Very high	94.2	Very high	104 Å²	104	52 Å²	52	51%	0.512	28%	0.277	S	S	.	.	S	Bend	trans	-129.8	0.8	-174.6	-68.6	-170.7	74.3	0	0	113.6	Y315 I316 Y320 D326	Y315-M318 HydrophobicContact CG-SD 4.24Å; I316-M318 PolarHBondContact O-N 3.27Å; M318-Y320 HydrophobicContact CB-CD2 3.65Å; M318-Y320 HydrophobicContact CB-CE2 3.63Å; M318-Y320 HydrophobicContact CE-CE2 4.11Å; M318-Y320 HydrophobicContact CG-CE2 4.49Å; M318-Y320 HydrophobicContact SD-CE2 4.12Å; M318-D326 PolarHBondContact N-OD2 3.02Å
319	G	95.7	Very high	94.6	Very high	59 Å²	59	46.4 Å²	46.4	61%	0.608	26%	0.256	S	S	*	.	S	Bend	trans	81.5	14.8	176.4	0	0	0	0	0	116	V321 D326	G319-V321 VanDerWaalsContact C-N 3.34Å; G319-D326 PolarHBondContact N-OD2 2.72Å
320	Y	95.1	Very high	95.2	Very high	139 Å²	139	42.2 Å²	42.2	55%	0.545	23%	0.233	S	C	.	.	S	Bend	trans	-77.4	-18.8	175.3	-67.3	-76.1	0	0	0	113.7	T314 Y315 M318	T314-Y320 WeakPolarHBondContact OG1-CB 3.27Å; Y315-Y320 HydrophobicContact CD2-CD2 4.32Å; Y315-Y320 AromaticContact CD2-CE2 3.93Å; Y315-Y320 HydrophobicContact CD2-CE2 3.93Å; Y315-Y320 HydrophobicContact CG-CE2 4.22Å; M318-Y320 HydrophobicContact CB-CD2 3.65Å; M318-Y320 HydrophobicContact CB-CE2 3.63Å; M318-Y320 HydrophobicContact CE-CE2 4.11Å; M318-Y320 HydrophobicContact CG-CE2 4.49Å; M318-Y320 HydrophobicContact SD-CE2 4.12Å
321	V	95.8	Very high	95.5	Very high	22 Å²	22	40.7 Å²	40.7	13%	0.133	23%	0.227	C	C	.	.	S	Bend	trans	-124.4	172.5	174.3	-66.6	0	0	0	0	110.8	Y312 T314 G319 M325 D326	Y312-V321 HydrophobicContact CE1-CG1 3.64Å; T314-V321 HydrophobicContact CG2-CG1 3.94Å; G319-V321 VanDerWaalsContact C-N 3.34Å; V321-M325 HydrophobicContact CB-CB 4.48Å; V321-M325 HydrophobicContact CG2-CB 4.09Å; V321-M325 HydrophobicContact CG2-CG 4.38Å; V321-D326 HydrophobicContact CG2-CB 3.98Å; V321-D326 WeakPolarHBondContact CG2-OD1 3.34Å
322	I	97.4	Very high	95.8	Very high	24 Å²	24	39.4 Å²	39.4	12%	0.123	22%	0.219	C	C	.	.			trans	-55.6	140.6	178	59.2	176	0	0	0	111.5	G324 M325 D326 I342 A347 Y348 L363 F365	I322-G324 PolarHBondContact O-N 3.14Å; I322-M325 HydrophobicContact CD1-CB 4.4Å; I322-M325 HydrophobicContact CG1-CB 3.67Å; I322-M325 WeakPolarHBondContact O-CB 3.42Å; I322-M325 PolarHBondContact O-N 2.81Å; I322-D326 PolarHBondContact O-N 3.33Å; I322-I342 HydrophobicContact CD1-CD1 3.87Å; I322-I342 HydrophobicContact CG1-CD1 4.45Å; I322-A347 HydrophobicContact CD1-CB 4.05Å; I322-Y348 HydrophobicContact CD1-CE2 4.42Å; I322-Y348 HydrophobicContact CG2-CD1 4.45Å; I322-Y348 HydrophobicContact CG2-CD2 4.5Å; I322-Y348 HydrophobicContact CG2-CE1 3.96Å; I322-Y348 HydrophobicContact CG2-CE2 4Å; I322-L363 HydrophobicContact CD1-CD1 4.05Å; I322-F365 HydrophobicContact CD1-CE2 3.97Å; I322-F365 HydrophobicContact CD1-CZ 4.36Å
323	P	97.9	Very high	95.8	Very high	66 Å²	66	35.2 Å²	35.2	43%	0.429	20%	0.203	S	C	.	.	H	α-helix	trans	-54.8	-32.3	-169.8	-30.2	35.5	0	0	0	115.9	Q327 L346	P323-Q327 WeakPolarHBondContact O-CG 3.25Å; P323-Q327 PolarHBondContact O-N 2.8Å; P323-Q327 VanDerWaalsContact O-N 3.08Å; P323-Q327 PolarHBondContact O-NE2 2.98Å; P323-L346 HydrophobicContact CB-CD2 4.12Å; P323-L346 WeakPolarHBondContact CD-O 3.15Å
324	G	97.7	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-75.1	-26.6	177.4	0	0	0	0	0	114	I267 I322 G328 L346	I267-G324 VanDerWaalsContact CG2-CA 3.45Å; I322-G324 PolarHBondContact O-N 3.14Å; G324-G328 WeakPolarHBondContact O-CA 3.41Å; G324-G328 PolarHBondContact O-N 3.37Å; G324-L346 PolarHBondContact N-O 2.99Å
325	M	97.9	Very high	95.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-79.1	-38.3	173.3	-163.9	67.1	172.4	0	0	110.4	Y290 V321 I322 Q327 G328 L329 I342 F365 V367	Y290-M325 HydrophobicContact CD2-CE 4.13Å; Y290-M325 HydrophobicContact CE2-CE 3.32Å; V321-M325 HydrophobicContact CB-CB 4.48Å; V321-M325 HydrophobicContact CG2-CB 4.09Å; V321-M325 HydrophobicContact CG2-CG 4.38Å; I322-M325 HydrophobicContact CD1-CB 4.4Å; I322-M325 HydrophobicContact CG1-CB 3.67Å; I322-M325 WeakPolarHBondContact O-CB 3.42Å; I322-M325 PolarHBondContact O-N 2.81Å; M325-Q327 VanDerWaalsContact C-N 3.29Å; M325-Q327 PolarHBondContact O-N 3.01Å; M325-G328 PolarHBondContact O-N 2.98Å; M325-G328 VanDerWaalsContact O-N 3.12Å; M325-L329 HydrophobicContact CE-CD1 4.09Å; M325-L329 HydrophobicContact CE-CD2 4.13Å; M325-L329 HydrophobicContact CE-CG 4.17Å; M325-L329 HydrophobicContact CG-CD1 3.94Å; M325-L329 HydrophobicContact CG-CG 4.28Å; M325-L329 WeakPolarHBondContact O-CB 3.46Å; M325-L329 WeakPolarHBondContact O-CG 3.29Å; M325-L329 PolarHBondContact O-N 2.7Å; M325-L329 HydrophobicContact SD-CG 4.47Å; M325-I342 HydrophobicContact CB-CD1 4.17Å; M325-I342 HydrophobicContact SD-CD1 4.42Å; M325-F365 HydrophobicContact CE-CB 4.44Å; M325-F365 HydrophobicContact SD-CB 4.33Å; M325-F365 HydrophobicContact SD-CD2 4.33Å; M325-F365 HydrophobicContact SD-CG 4.26Å; M325-V367 HydrophobicContact CE-CG2 3.64Å
326	D	97.1	Very high	95.6	Very high	16 Å²	16	33.7 Å²	33.7	9%	0.086	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-39.7	175	-136.5	28.2	0	0	0	111.2	I316 G317 M318 G319 V321 I322	I316-D326 WeakPolarHBondContact CA-OD1 3.36Å; G317-D326 VanDerWaalsContact CA-OD2 3.29Å; G317-D326 WeakPolarHBondContact CA-OD2 3.35Å; G317-D326 PolarHBondContact N-OD1 2.65Å; G317-D326 PolarHBondContact N-OD2 2.83Å; M318-D326 PolarHBondContact N-OD2 3.02Å; G319-D326 PolarHBondContact N-OD2 2.72Å; V321-D326 HydrophobicContact CG2-CB 3.98Å; V321-D326 WeakPolarHBondContact CG2-OD1 3.34Å; I322-D326 PolarHBondContact O-N 3.33Å
327	Q	97.4	Very high	95.6	Very high	75 Å²	75	39.4 Å²	39.4	35%	0.35	23%	0.226	S	C	.	.	H	α-helix	trans	-71.7	-44.3	168.6	-73.2	174	68.7	0	0	112.8	N266 I267 P323 M325 L329 L330	N266-Q327 PolarHBondContact ND2-OE1 2.76Å; N266-Q327 PolarHBondContact OD1-OE1 2.92Å; I267-Q327 HydrophobicContact CD1-CB 3.67Å; I267-Q327 HydrophobicContact CG1-CB 4.48Å; P323-Q327 WeakPolarHBondContact O-CG 3.25Å; P323-Q327 PolarHBondContact O-N 2.8Å; P323-Q327 VanDerWaalsContact O-N 3.08Å; P323-Q327 PolarHBondContact O-NE2 2.98Å; M325-Q327 VanDerWaalsContact C-N 3.29Å; M325-Q327 PolarHBondContact O-N 3.01Å; Q327-L329 PolarHBondContact O-N 3.22Å; Q327-L330 PolarHBondContact O-N 3.19Å
328	G	96.9	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-18.2	-174.2	0	0	0	0	0	115	G324 M325 R338	G324-G328 WeakPolarHBondContact O-CA 3.41Å; G324-G328 PolarHBondContact O-N 3.37Å; M325-G328 PolarHBondContact O-N 2.98Å; M325-G328 VanDerWaalsContact O-N 3.12Å; G328-R338 VanDerWaalsContact O-CD 3.3Å; G328-R338 WeakPolarHBondContact O-CD 3.42Å; G328-R338 PolarHBondContact O-NH1 3.12Å
329	L	97.4	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.2	176.6	-68.2	173.6	0	0	0	114.2	S282 I288 Y290 I316 M325 Q327 V332 V367	S282-L329 PolarHBondContact OG-O 3.31Å; I288-L329 HydrophobicContact CD1-CB 4.43Å; I288-L329 HydrophobicContact CD1-CD2 4.15Å; I288-L329 HydrophobicContact CG2-CD1 4.26Å; Y290-L329 HydrophobicContact CD1-CD1 4.1Å; Y290-L329 HydrophobicContact CD1-CD2 4.48Å; Y290-L329 HydrophobicContact CE1-CD1 3.53Å; I316-L329 HydrophobicContact CD1-CB 4.34Å; I316-L329 WeakPolarHBondContact CD1-O 3.44Å; I316-L329 HydrophobicContact CG2-CB 3.81Å; I316-L329 HydrophobicContact CG2-CD1 3.83Å; I316-L329 HydrophobicContact CG2-CG 4.49Å; M325-L329 HydrophobicContact CE-CD1 4.09Å; M325-L329 HydrophobicContact CE-CD2 4.13Å; M325-L329 HydrophobicContact CE-CG 4.17Å; M325-L329 HydrophobicContact CG-CD1 3.94Å; M325-L329 HydrophobicContact CG-CG 4.28Å; M325-L329 WeakPolarHBondContact O-CB 3.46Å; M325-L329 WeakPolarHBondContact O-CG 3.29Å; M325-L329 PolarHBondContact O-N 2.7Å; M325-L329 HydrophobicContact SD-CG 4.47Å; Q327-L329 PolarHBondContact O-N 3.22Å; L329-V332 WeakPolarHBondContact O-CG1 3.27Å; L329-V367 HydrophobicContact CD2-CG1 3.86Å
330	L	96.6	Very high	96	Very high	65 Å²	65	33.5 Å²	33.5	34%	0.34	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	147.6	173.6	-71.1	168.1	0	0	0	111.4	A284 I316 Q327 V332 R338	A284-L330 HydrophobicContact CB-CD2 4.24Å; I316-L330 HydrophobicContact CD1-CD2 3.96Å; I316-L330 HydrophobicContact CG1-CD2 4.44Å; Q327-L330 PolarHBondContact O-N 3.19Å; L330-V332 PolarHBondContact O-N 3.4Å; L330-R338 PolarHBondContact O-NH1 2.89Å
331	G	95	Very high	96.1	Very high	25 Å²	25	28.3 Å²	28.3	26%	0.258	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	16.3	178.2	0	0	0	0	0	115.4	R281 S282	R281-G331 PolarHBondContact NH1-O 2.89Å; S282-G331 WeakPolarHBondContact O-CA 3.49Å; S282-G331 PolarHBondContact O-N 2.88Å; S282-G331 PolarHBondContact OG-N 3.04Å
332	V	95.5	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-70	150	176.4	-64	0	0	0	0	111.8	R281 S282 I288 L329 L330 E336 V369 F372	R281-V332 CarbonylContact C-O 3.55Å; R281-V332 VanDerWaalsContact CA-O 3.25Å; R281-V332 WeakPolarHBondContact CA-O 3.5Å; S282-V332 PolarHBondContact N-O 2.92Å; S282-V332 VanDerWaalsContact OG-CG2 3.26Å; S282-V332 WeakPolarHBondContact OG-CG2 3.28Å; S282-V332 PolarHBondContact OG-N 3.05Å; I288-V332 HydrophobicContact CD1-CG2 3.71Å; L329-V332 WeakPolarHBondContact O-CG1 3.27Å; L330-V332 PolarHBondContact O-N 3.4Å; V332-E336 WeakPolarHBondContact CA-OE2 3.28Å; V332-V369 HydrophobicContact CB-CG2 3.96Å; V332-V369 HydrophobicContact CG1-CG2 3.91Å; V332-V369 HydrophobicContact CG2-CG1 4.06Å; V332-V369 HydrophobicContact CG2-CG2 3.97Å; V332-F372 HydrophobicContact CG2-CD1 3.99Å; V332-F372 HydrophobicContact CG2-CE1 3.84Å; V332-F372 WeakPolarHBondContact O-CE1 3.35Å; V332-F372 VanDerWaalsContact O-CZ 3.29Å; V332-F372 WeakPolarHBondContact O-CZ 3.29Å
333	C	93.6	Very high	96.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-90.1	160.8	164.8	-54.9	0	0	0	0	111	A274 C278 R281 E336	A274-C333 HydrophobicContact CB-CB 4.23Å; C278-C333 HydrophobicContact CB-CB 3.78Å; C278-C333 WeakPolarHBondContact CB-SG 3.37Å; C278-C333 WeakPolarHBondContact SG-CB 3.49Å; C278-C333 CovalentContact SG-SG 2.02Å; C278-C333 PolarHBondContact SG-SG 2.93Å; R281-C333 VanDerWaalsContact CZ-SG 3.55Å; R281-C333 PolarHBondContact NH1-SG 3.19Å; C333-E336 HydrophobicContact CB-CB 4.14Å; C333-E336 PolarHBondContact N-OE2 3.39Å; C333-E336 WeakPolarHBondContact O-CB 3.32Å; C333-E336 PolarHBondContact O-N 3.12Å
334	L	90.3	Very high	96.2	Very high	45 Å²	45	23.4 Å²	23.4	24%	0.236	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	140.6	169.3	-62.7	171.1	0	0	0	110	P275 E336 D371 F372 L409	P275-L334 WeakPolarHBondContact CD-O 3.11Å; P275-L334 WeakPolarHBondContact CG-O 3.47Å; L334-E336 PolarHBondContact O-N 3.48Å; L334-E336 VanDerWaalsContact O-N 3.16Å; L334-D371 HydrophobicContact CD2-CB 4.09Å; L334-F372 HydrophobicContact CD2-CD1 3.79Å; L334-F372 HydrophobicContact CD2-CE1 3.69Å; L334-F372 HydrophobicContact CD2-CG 4.49Å; L334-F372 HydrophobicContact CD2-CZ 4.33Å; L334-F372 HydrophobicContact CG-CE1 4.07Å; L334-F372 HydrophobicContact CG-CZ 4.46Å; L334-L409 HydrophobicContact CD1-CD1 3.95Å; L334-L409 HydrophobicContact CD1-CD2 4.15Å; L334-L409 HydrophobicContact CD1-CG 4.47Å; L334-L409 HydrophobicContact CD2-CD1 4Å
335	G	90.6	Very high	96.1	Very high	28 Å²	28	28 Å²	28	29%	0.289	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	1.9	-176.3	0	0	0	0	0	115.5	V369	G335-V369 CarbonylContact C-O 3.55Å; G335-V369 WeakPolarHBondContact CA-O 3.47Å; G335-V369 PolarHBondContact N-O 3.34Å
336	E	94.9	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.			trans	-66.4	139.2	-174.6	-174.8	177	144.2	0	0	112.5	Q272 E273 A274 V332 C333 L334 R338 V369	Q272-E336 HydrophobicContact CG-CG 4.5Å; Q272-E336 VanDerWaalsContact CG-OE1 3.27Å; Q272-E336 WeakPolarHBondContact CG-OE1 3.44Å; Q272-E336 PolarHBondContact NE2-OE1 2.8Å; E273-E336 WeakPolarHBondContact O-CA 3.34Å; A274-E336 HydrophobicContact CB-CG 4.02Å; V332-E336 WeakPolarHBondContact CA-OE2 3.28Å; C333-E336 HydrophobicContact CB-CB 4.14Å; C333-E336 PolarHBondContact N-OE2 3.39Å; C333-E336 WeakPolarHBondContact O-CB 3.32Å; C333-E336 PolarHBondContact O-N 3.12Å; L334-E336 PolarHBondContact O-N 3.48Å; L334-E336 VanDerWaalsContact O-N 3.16Å; E336-R338 IonicContact OE1-CZ 3.21Å; E336-R338 IonicContact OE1-NE 2.73Å; E336-R338 PolarHBondContact OE1-NE 2.81Å; E336-R338 IonicContact OE1-NH2 3.44Å; E336-R338 PolarHBondContact OE1-NH2 3.48Å; E336-R338 IonicContact OE2-NH2 3.43Å; E336-V369 PolarHBondContact O-N 3.12Å
337	R	96.4	Very high	96.1	Very high	120 Å²	120	28.9 Å²	28.9	45%	0.453	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.3	163.7	-62.2	179.4	-177.6	135.6	12.9	110.4	Q272 E273 V367 H368	Q272-R337 CarbonylContact C-O 3.58Å; Q272-R337 WeakPolarHBondContact CA-O 3.48Å; E273-R337 HydrophobicContact CB-CB 4.3Å; E273-R337 PolarHBondContact N-O 2.77Å; E273-R337 PolarHBondContact O-N 3.08Å; R337-V367 WeakPolarHBondContact CA-O 3.48Å; R337-H368 HydrophobicContact CG-CB 4.09Å; R337-H368 PolarHBondContact NE-CD2 3.01Å; R337-H368 PolarHBondContact NE-NE2 3.14Å; R337-H368 PolarHBondContact NH2-CE1 2.79Å; R337-H368 PolarHBondContact NH2-NE2 2.97Å
338	R	97.1	Very high	96.1	Very high	11 Å²	11	30.3 Å²	30.3	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.2	172.4	58.6	168.2	66.2	163.6	3.9	110.5	I269 Q272 G328 L330 E336 V340 V367	I269-R338 HydrophobicContact CG2-CB 4.15Å; Q272-R338 HydrophobicContact CG-CB 4.43Å; G328-R338 VanDerWaalsContact O-CD 3.3Å; G328-R338 WeakPolarHBondContact O-CD 3.42Å; G328-R338 PolarHBondContact O-NH1 3.12Å; L330-R338 PolarHBondContact O-NH1 2.89Å; E336-R338 IonicContact OE1-CZ 3.21Å; E336-R338 IonicContact OE1-NE 2.73Å; E336-R338 PolarHBondContact OE1-NE 2.81Å; E336-R338 IonicContact OE1-NH2 3.44Å; E336-R338 PolarHBondContact OE1-NH2 3.48Å; E336-R338 IonicContact OE2-NH2 3.43Å; R338-V340 HydrophobicContact CG-CG2 4.23Å; R338-V367 HydrophobicContact CG-CB 4.34Å; R338-V367 PolarHBondContact N-O 3.19Å; R338-V367 VanDerWaalsContact N-O 3.17Å; R338-V367 WeakPolarHBondContact O-CB 3.42Å; R338-V367 PolarHBondContact O-N 3.5Å
339	R	97.7	Very high	96.1	Very high	62 Å²	62	31.3 Å²	31.3	23%	0.234	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.8	168.7	171.4	170.2	-74.3	-151.6	-5.3	109.1	I269 E270 N271 I341 V364 F365 D366	I269-R339 CarbonylContact C-O 3.5Å; I269-R339 WeakPolarHBondContact CA-O 3.43Å; E270-R339 HydrophobicContact CB-CB 4.13Å; E270-R339 HydrophobicContact CB-CG 4.34Å; E270-R339 PolarHBondContact N-O 2.92Å; E270-R339 PolarHBondContact O-N 2.86Å; E270-R339 VanDerWaalsContact OE2-CD 3.27Å; E270-R339 WeakPolarHBondContact OE2-CD 3.46Å; N271-R339 HydrophobicContact CB-CB 4.28Å; R339-I341 HydrophobicContact CG-CG1 4.38Å; R339-V364 HydrophobicContact CG-CG1 3.76Å; R339-F365 CarbonylContact C-O 3.58Å; R339-F365 WeakPolarHBondContact CA-O 3.45Å; R339-D366 WeakPolarHBondContact CB-OD1 3.45Å; R339-D366 IonicContact CZ-OD1 3.17Å; R339-D366 IonicContact CZ-OD2 3.97Å; R339-D366 IonicContact NE-OD1 3.72Å; R339-D366 PolarHBondContact NE-OD1 2.95Å; R339-D366 IonicContact NE-OD2 2.65Å; R339-D366 VanDerWaalsContact NH2-CG 3.33Å; R339-D366 IonicContact NH2-OD1 2.71Å; R339-D366 PolarHBondContact NH2-OD1 2.87Å; R339-D366 VanDerWaalsContact NH2-OD1 3.14Å; R339-D366 IonicContact NH2-OD2 2.73Å; R339-D366 PolarHBondContact NH2-OD2 3.12Å
340	V	98	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.3	177.3	-170.7	0	0	0	0	109	I267 R338 I342 V364 F365 V367	I267-V340 HydrophobicContact CB-CG1 4.5Å; I267-V340 HydrophobicContact CD1-CG1 4.42Å; R338-V340 HydrophobicContact CG-CG2 4.23Å; V340-I342 HydrophobicContact CG1-CD1 4.21Å; V340-I342 HydrophobicContact CG1-CG1 3.8Å; V340-V364 WeakPolarHBondContact O-CA 3.48Å; V340-F365 PolarHBondContact N-O 2.73Å; V340-F365 PolarHBondContact O-N 3.37Å; V340-V367 HydrophobicContact CG2-CG2 4.27Å
341	I	97.3	Very high	95.8	Very high	29 Å²	29	43 Å²	43	15%	0.149	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.7	173.4	-53.2	178.7	0	0	0	108	I267 T268 E270 L297 R339 V362 L363 V364	I267-I341 CarbonylContact C-O 3.55Å; I267-I341 VanDerWaalsContact CA-O 3.27Å; I267-I341 WeakPolarHBondContact CA-O 3.39Å; T268-I341 PolarHBondContact N-O 2.82Å; T268-I341 PolarHBondContact O-N 3.46Å; E270-I341 HydrophobicContact CG-CD1 4.29Å; L297-I341 HydrophobicContact CD2-CG2 4.21Å; R339-I341 HydrophobicContact CG-CG1 4.38Å; I341-V362 HydrophobicContact CG2-CG1 3.59Å; I341-L363 CarbonylContact C-O 3.56Å; I341-L363 WeakPolarHBondContact CA-O 3.39Å; I341-V364 HydrophobicContact CG1-CG1 4.25Å; I341-V364 HydrophobicContact CG1-CG2 4.2Å; I341-V364 HydrophobicContact CG2-CG2 4.33Å
342	I	98.3	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.6	-171.4	-55.1	176	0	0	0	109.8	I267 I322 M325 V340 L346 A347 V362 L363 F365	I267-I342 HydrophobicContact CG2-CB 4.4Å; I267-I342 HydrophobicContact CG2-CG1 4.05Å; I267-I342 HydrophobicContact CG2-CG2 4.27Å; I322-I342 HydrophobicContact CD1-CD1 3.87Å; I322-I342 HydrophobicContact CG1-CD1 4.45Å; M325-I342 HydrophobicContact CB-CD1 4.17Å; M325-I342 HydrophobicContact SD-CD1 4.42Å; V340-I342 HydrophobicContact CG1-CD1 4.21Å; V340-I342 HydrophobicContact CG1-CG1 3.8Å; I342-L346 HydrophobicContact CG2-CB 3.73Å; I342-L346 WeakPolarHBondContact CG2-O 3.14Å; I342-A347 HydrophobicContact CG2-CB 3.89Å; I342-V362 WeakPolarHBondContact O-CA 3.26Å; I342-V362 WeakPolarHBondContact O-CG1 3.46Å; I342-L363 PolarHBondContact N-O 3.25Å; I342-L363 PolarHBondContact O-N 3.41Å; I342-F365 HydrophobicContact CD1-CD2 3.76Å; I342-F365 HydrophobicContact CD1-CE2 3.93Å
343	P	97.2	Very high	95.8	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.039	22%	0.223	C	C	.	.			trans	-68.9	157.1	174.3	30.4	-34.5	0	0	0	110.9	H261 D265 H345 L346 A347	H261-P343 HydrophobicContact CB-CB 4.45Å; D265-P343 WeakPolarHBondContact O-CG 3.35Å; P343-H345 VanDerWaalsContact C-N 3.28Å; P343-H345 PolarHBondContact O-N 3.05Å; P343-H345 VanDerWaalsContact O-N 3.11Å; P343-L346 HydrophobicContact CG-CB 4.5Å; P343-L346 HydrophobicContact CG-CD1 4.04Å; P343-L346 HydrophobicContact CG-CG 4.34Å; P343-L346 PolarHBondContact O-N 3.31Å; P343-A347 PolarHBondContact O-N 3.17Å
344	P	97.1	Very high	95.7	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.026	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.2	-32.8	-163.5	-19.2	29.6	0	0	0	113.7	H261 L346 A347 Y348 G349 S360 A361 V362	H261-P344 VanDerWaalsContact CE1-CG 3.44Å; H261-P344 WeakPolarHBondContact CE1-CG 3.27Å; H261-P344 WeakPolarHBondContact NE2-CD 3.33Å; P344-L346 PolarHBondContact O-N 3.2Å; P344-A347 CarbonylContact O-C 3.59Å; P344-A347 VanDerWaalsContact O-C 3.32Å; P344-A347 WeakPolarHBondContact O-CA 3.42Å; P344-A347 PolarHBondContact O-N 2.8Å; P344-Y348 PolarHBondContact O-N 2.91Å; P344-G349 VanDerWaalsContact O-CA 3.27Å; P344-G349 WeakPolarHBondContact O-CA 3.29Å; P344-G349 PolarHBondContact O-N 3.39Å; P344-S360 VanDerWaalsContact CG-O 3.28Å; P344-S360 WeakPolarHBondContact CG-O 3.49Å; P344-A361 WeakPolarHBondContact CG-O 3.28Å; P344-V362 HydrophobicContact CG-CG2 4.44Å
345	H	96.2	Very high	95.7	Very high	95 Å²	95	54 Å²	54	44%	0.44	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-70	-7.7	178.5	68.9	-98.2	0	0	0	114	P263 D265 P343	P263-H345 PolarHBondContact O-CE1 3.27Å; D265-H345 PolarHBondContact O-CE1 2.85Å; D265-H345 PolarHBondContact O-NE2 3.16Å; P343-H345 VanDerWaalsContact C-N 3.28Å; P343-H345 PolarHBondContact O-N 3.05Å; P343-H345 VanDerWaalsContact O-N 3.11Å
346	L	98.1	Very high	95.9	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.12	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-110.9	6.2	168.4	-60.6	177.4	0	0	0	112.4	N266 I267 P323 G324 I342 P343 P344	N266-L346 WeakPolarHBondContact OD1-CD1 3.38Å; I267-L346 HydrophobicContact CG2-CD1 3.88Å; P323-L346 HydrophobicContact CB-CD2 4.12Å; P323-L346 WeakPolarHBondContact CD-O 3.15Å; G324-L346 PolarHBondContact N-O 2.99Å; I342-L346 HydrophobicContact CG2-CB 3.73Å; I342-L346 WeakPolarHBondContact CG2-O 3.14Å; P343-L346 HydrophobicContact CG-CB 4.5Å; P343-L346 HydrophobicContact CG-CD1 4.04Å; P343-L346 HydrophobicContact CG-CG 4.34Å; P343-L346 PolarHBondContact O-N 3.31Å; P344-L346 PolarHBondContact O-N 3.2Å
347	A	97.7	Very high	96	Very high	17 Å²	17	57.4 Å²	57.4	14%	0.14	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-118.6	175.1	0	0	0	0	0	110.3	I322 I342 P343 P344 L363	I322-A347 HydrophobicContact CD1-CB 4.05Å; I342-A347 HydrophobicContact CG2-CB 3.89Å; P343-A347 PolarHBondContact O-N 3.17Å; P344-A347 CarbonylContact O-C 3.59Å; P344-A347 VanDerWaalsContact O-C 3.32Å; P344-A347 WeakPolarHBondContact O-CA 3.42Å; P344-A347 PolarHBondContact O-N 2.8Å; A347-L363 HydrophobicContact CB-CD1 3.81Å; A347-L363 HydrophobicContact CB-CG 4.08Å
348	Y	97.1	Very high	95.9	Very high	105 Å²	105	53.9 Å²	53.9	41%	0.412	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	11.7	-175.4	-58.8	-84.2	0	0	0	114.3	I322 P344 G352 A353 I357 L363	I322-Y348 HydrophobicContact CD1-CE2 4.42Å; I322-Y348 HydrophobicContact CG2-CD1 4.45Å; I322-Y348 HydrophobicContact CG2-CD2 4.5Å; I322-Y348 HydrophobicContact CG2-CE1 3.96Å; I322-Y348 HydrophobicContact CG2-CE2 4Å; P344-Y348 PolarHBondContact O-N 2.91Å; Y348-G352 PolarHBondContact O-N 2.84Å; Y348-G352 VanDerWaalsContact O-N 3.1Å; Y348-A353 HydrophobicContact CD1-CB 3.64Å; Y348-A353 HydrophobicContact CD2-CB 4.41Å; Y348-A353 HydrophobicContact CE1-CB 3.93Å; Y348-A353 HydrophobicContact CG-CB 3.89Å; Y348-I357 HydrophobicContact CD2-CD1 3.67Å; Y348-I357 HydrophobicContact CD2-CG2 4.01Å; Y348-I357 HydrophobicContact CE2-CD1 3.36Å; Y348-L363 HydrophobicContact CD2-CD1 3.86Å; Y348-L363 HydrophobicContact CE2-CD1 3.78Å
349	G	95.3	Very high	95.8	Very high	22 Å²	22	56.2 Å²	56.2	23%	0.227	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-153.2	172.3	0	0	0	0	0	115	P344 Q351 S360	P344-G349 VanDerWaalsContact O-CA 3.27Å; P344-G349 WeakPolarHBondContact O-CA 3.29Å; P344-G349 PolarHBondContact O-N 3.39Å; G349-Q351 PolarHBondContact O-N 3.16Å; G349-S360 WeakPolarHBondContact O-CA 3.27Å; G349-S360 PolarHBondContact O-N 3.18Å
350	E	93.8	Very high	95.6	Very high	145 Å²	145	53.7 Å²	53.7	68%	0.678	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11	180	-58.4	-173.5	150.7	0	0	113.8	P359	E350-P359 VanDerWaalsContact O-CB 3.29Å; E350-P359 WeakPolarHBondContact O-CB 3.22Å
351	Q	94.1	Very high	95.5	Very high	165 Å²	165	53.9 Å²	53.9	77%	0.771	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-30.6	-179.9	-58.6	-57	-61.3	0	0	112.4	G349	G349-Q351 PolarHBondContact O-N 3.16Å
352	G	94.9	Very high	95.5	Very high	14 Å²	14	52.6 Å²	52.6	14%	0.144	31%	0.305	C	S	.	.			trans	72.8	-161.2	-170.9	0	0	0	0	0	112.3	Y348 I357	Y348-G352 PolarHBondContact O-N 2.84Å; Y348-G352 VanDerWaalsContact O-N 3.1Å; G352-I357 CarbonylContact C-O 3.59Å; G352-I357 WeakPolarHBondContact CA-O 3.41Å
353	A	95.9	Very high	95.5	Very high	34 Å²	34	52.6 Å²	52.6	28%	0.281	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-142.6	106.9	177.9	0	0	0	0	0	111.8	Y348 V356 I357	Y348-A353 HydrophobicContact CD1-CB 3.64Å; Y348-A353 HydrophobicContact CD2-CB 4.41Å; Y348-A353 HydrophobicContact CE1-CB 3.93Å; Y348-A353 HydrophobicContact CG-CB 3.89Å; A353-V356 PolarHBondContact O-N 3.34Å; A353-I357 HydrophobicContact CB-CB 4.09Å; A353-I357 HydrophobicContact CB-CD1 4.41Å; A353-I357 PolarHBondContact N-O 2.9Å; A353-I357 PolarHBondContact O-N 3.35Å; A353-I357 VanDerWaalsContact O-N 3.08Å
354	G	92.2	Very high	95.5	Very high	74 Å²	74	52.5 Å²	52.5	76%	0.763	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-152.3	-177.1	0	0	0	0	0	112.7	V356	G354-V356 PolarHBondContact O-N 2.86Å
355	D	90.2	Very high	95.6	Very high	179 Å²	179	53 Å²	53	96%	0.957	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	1.2	175.2	-53	-66.6	0	0	0	113.2
356	V	94.4	Very high	95.7	Very high	88 Å²	88	50.8 Å²	50.8	53%	0.533	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-45.1	-172.7	179.6	0	0	0	0	112.1	F302 A353 G354 P358	F302-V356 HydrophobicContact CB-CG1 4.04Å; A353-V356 PolarHBondContact O-N 3.34Å; G354-V356 PolarHBondContact O-N 2.86Å; V356-P358 WeakPolarHBondContact O-CD 3.13Å
357	I	96.4	Very high	95.7	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.062	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-112	105.9	-177.7	-61.4	179.3	0	0	0	109	F296 F302 Y348 G352 A353 A361 L363	F296-I357 HydrophobicContact CE1-CG2 4.47Å; F302-I357 HydrophobicContact CD2-CD1 4.14Å; F302-I357 HydrophobicContact CD2-CG1 4.2Å; F302-I357 HydrophobicContact CE2-CD1 4Å; Y348-I357 HydrophobicContact CD2-CD1 3.67Å; Y348-I357 HydrophobicContact CD2-CG2 4.01Å; Y348-I357 HydrophobicContact CE2-CD1 3.36Å; G352-I357 CarbonylContact C-O 3.59Å; G352-I357 WeakPolarHBondContact CA-O 3.41Å; A353-I357 HydrophobicContact CB-CB 4.09Å; A353-I357 HydrophobicContact CB-CD1 4.41Å; A353-I357 PolarHBondContact N-O 2.9Å; A353-I357 PolarHBondContact O-N 3.35Å; A353-I357 VanDerWaalsContact O-N 3.08Å; I357-A361 HydrophobicContact CG2-CB 4.08Å; I357-L363 HydrophobicContact CD1-CD1 4.29Å; I357-L363 HydrophobicContact CG2-CD2 3.99Å
358	P	94.8	Very high	95.6	Very high	46 Å²	46	50.8 Å²	50.8	30%	0.299	29%	0.294	S	S	.	.			trans	-71.9	154.3	-176.3	22.9	-29.7	0	0	0	113.9	R177 F296 V356 S360 A361	R177-P358 PolarHBondContact NH1-O 3.29Å; F296-P358 HydrophobicContact CZ-CG 4.45Å; V356-P358 WeakPolarHBondContact O-CD 3.13Å; P358-S360 PolarHBondContact O-N 2.74Å; P358-A361 HydrophobicContact CG-CB 4.44Å; P358-A361 WeakPolarHBondContact O-CB 3.3Å; P358-A361 PolarHBondContact O-N 2.94Å
359	P	94.7	Very high	95.5	Very high	61 Å²	61	45.8 Å²	45.8	40%	0.396	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.6	128.6	173.3	-38.8	40.1	0	0	0	116	R177 E350 A361	R177-P359 WeakPolarHBondContact CD-O 3.2Å; R177-P359 PolarHBondContact NH1-O 2.9Å; E350-P359 VanDerWaalsContact O-CB 3.29Å; E350-P359 WeakPolarHBondContact O-CB 3.22Å; P359-A361 VanDerWaalsContact C-N 3.29Å; P359-A361 PolarHBondContact O-N 3.25Å
360	S	94.9	Very high	95.2	Very high	8 Å²	8	45.9 Å²	45.9	6%	0.056	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	35.5	179	-51.9	0	0	0	0	114.5	R177 P344 G349 P358	R177-S360 VanDerWaalsContact CD-O 3.32Å; R177-S360 WeakPolarHBondContact CD-O 3.45Å; P344-S360 VanDerWaalsContact CG-O 3.28Å; P344-S360 WeakPolarHBondContact CG-O 3.49Å; G349-S360 WeakPolarHBondContact O-CA 3.27Å; G349-S360 PolarHBondContact O-N 3.18Å; P358-S360 PolarHBondContact O-N 2.74Å
361	A	96	Very high	95	Very high	4 Å²	4	39 Å²	39	3%	0.033	24%	0.237	C	C	.	.			trans	-75.5	134.8	174.7	0	0	0	0	0	113	R177 D259 F296 P344 I357 P358 P359 L363	R177-A361 VanDerWaalsContact NH1-CA 3.31Å; D259-A361 VanDerWaalsContact OD2-CA 3.32Å; D259-A361 WeakPolarHBondContact OD2-CA 3.32Å; F296-A361 HydrophobicContact CD1-CB 4.08Å; F296-A361 HydrophobicContact CE1-CB 3.94Å; P344-A361 WeakPolarHBondContact CG-O 3.28Å; I357-A361 HydrophobicContact CG2-CB 4.08Å; P358-A361 HydrophobicContact CG-CB 4.44Å; P358-A361 WeakPolarHBondContact O-CB 3.3Å; P358-A361 PolarHBondContact O-N 2.94Å; P359-A361 VanDerWaalsContact C-N 3.29Å; P359-A361 PolarHBondContact O-N 3.25Å; A361-L363 HydrophobicContact CB-CD2 4.12Å
362	V	96.6	Very high	94.9	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	20%	0.201	C	C	.	.			trans	-80.1	132	161.8	-179.2	0	0	0	0	108.7	D259 H261 L297 I341 I342 P344	D259-V362 VanDerWaalsContact OD1-CB 3.29Å; D259-V362 WeakPolarHBondContact OD1-CB 3.43Å; D259-V362 WeakPolarHBondContact OD1-CG2 3.48Å; D259-V362 PolarHBondContact OD2-N 2.72Å; H261-V362 HydrophobicContact CB-CG2 3.73Å; L297-V362 HydrophobicContact CD1-CB 3.96Å; L297-V362 HydrophobicContact CD1-CG1 3.9Å; L297-V362 HydrophobicContact CD1-CG2 4.17Å; L297-V362 HydrophobicContact CD2-CG1 4.25Å; L297-V362 HydrophobicContact CG-CB 3.99Å; L297-V362 HydrophobicContact CG-CG1 3.78Å; I341-V362 HydrophobicContact CG2-CG1 3.59Å; I342-V362 WeakPolarHBondContact O-CA 3.26Å; I342-V362 WeakPolarHBondContact O-CG1 3.46Å; P344-V362 HydrophobicContact CG-CG2 4.44Å
363	L	97.9	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.4	178.2	-50	-173.6	0	0	0	110.6	F296 F302 I322 I341 I342 A347 Y348 I357 A361 F365	F296-L363 HydrophobicContact CD1-CD2 4.01Å; F296-L363 HydrophobicContact CE1-CD2 3.8Å; F302-L363 HydrophobicContact CD1-CD2 4.49Å; F302-L363 HydrophobicContact CE1-CB 4.3Å; F302-L363 HydrophobicContact CE1-CD2 3.74Å; F302-L363 HydrophobicContact CE1-CG 4.45Å; F302-L363 HydrophobicContact CZ-CB 4.23Å; F302-L363 HydrophobicContact CZ-CD1 4.11Å; F302-L363 HydrophobicContact CZ-CD2 3.94Å; F302-L363 HydrophobicContact CZ-CG 4.32Å; I322-L363 HydrophobicContact CD1-CD1 4.05Å; I341-L363 CarbonylContact C-O 3.56Å; I341-L363 WeakPolarHBondContact CA-O 3.39Å; I342-L363 PolarHBondContact N-O 3.25Å; I342-L363 PolarHBondContact O-N 3.41Å; A347-L363 HydrophobicContact CB-CD1 3.81Å; A347-L363 HydrophobicContact CB-CG 4.08Å; Y348-L363 HydrophobicContact CD2-CD1 3.86Å; Y348-L363 HydrophobicContact CE2-CD1 3.78Å; I357-L363 HydrophobicContact CD1-CD1 4.29Å; I357-L363 HydrophobicContact CG2-CD2 3.99Å; A361-L363 HydrophobicContact CB-CD2 4.12Å; L363-F365 HydrophobicContact CB-CD2 4.17Å; L363-F365 HydrophobicContact CB-CE2 3.61Å; L363-F365 HydrophobicContact CB-CZ 4.39Å; L363-F365 HydrophobicContact CD1-CE2 3.76Å; L363-F365 HydrophobicContact CD1-CZ 3.99Å; L363-F365 HydrophobicContact CG-CE2 4.37Å
364	V	97.6	Very high	94.5	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113	175.7	-176.4	0	0	0	0	108.2	T295 L297 R339 V340 I341	T295-V364 PolarHBondContact N-O 3.02Å; T295-V364 WeakPolarHBondContact O-CA 3.42Å; T295-V364 WeakPolarHBondContact O-CB 3.35Å; T295-V364 PolarHBondContact O-N 2.9Å; T295-V364 PolarHBondContact OG1-O 2.98Å; L297-V364 HydrophobicContact CD2-CG2 3.73Å; L297-V364 HydrophobicContact CG-CG2 4.35Å; R339-V364 HydrophobicContact CG-CG1 3.76Å; V340-V364 WeakPolarHBondContact O-CA 3.48Å; I341-V364 HydrophobicContact CG1-CG1 4.25Å; I341-V364 HydrophobicContact CG1-CG2 4.2Å; I341-V364 HydrophobicContact CG2-CG2 4.33Å
365	F	98.3	Very high	94.3	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.066	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.1	177.1	-69.4	-86	0	0	0	110.4	Y292 N293 F302 I322 M325 R339 V340 I342 L363 V367	Y292-F365 AromaticContact CD2-CD1 3.74Å; Y292-F365 HydrophobicContact CD2-CD1 3.74Å; Y292-F365 AromaticContact CD2-CE1 3.91Å; Y292-F365 HydrophobicContact CD2-CE1 3.91Å; Y292-F365 HydrophobicContact CE2-CD1 4.34Å; Y292-F365 HydrophobicContact CE2-CE1 4.03Å; Y292-F365 HydrophobicContact CG-CD1 4.21Å; N293-F365 WeakPolarHBondContact O-CA 3.27Å; F302-F365 HydrophobicContact CE2-CE1 4.23Å; F302-F365 HydrophobicContact CE2-CZ 4.14Å; F302-F365 AromaticContact CZ-CE1 3.96Å; F302-F365 HydrophobicContact CZ-CE1 3.96Å; F302-F365 HydrophobicContact CZ-CE2 4.32Å; F302-F365 AromaticContact CZ-CZ 3.71Å; F302-F365 HydrophobicContact CZ-CZ 3.71Å; I322-F365 HydrophobicContact CD1-CE2 3.97Å; I322-F365 HydrophobicContact CD1-CZ 4.36Å; M325-F365 HydrophobicContact CE-CB 4.44Å; M325-F365 HydrophobicContact SD-CB 4.33Å; M325-F365 HydrophobicContact SD-CD2 4.33Å; M325-F365 HydrophobicContact SD-CG 4.26Å; R339-F365 CarbonylContact C-O 3.58Å; R339-F365 WeakPolarHBondContact CA-O 3.45Å; V340-F365 PolarHBondContact N-O 2.73Å; V340-F365 PolarHBondContact O-N 3.37Å; I342-F365 HydrophobicContact CD1-CD2 3.76Å; I342-F365 HydrophobicContact CD1-CE2 3.93Å; L363-F365 HydrophobicContact CB-CD2 4.17Å; L363-F365 HydrophobicContact CB-CE2 3.61Å; L363-F365 HydrophobicContact CB-CZ 4.39Å; L363-F365 HydrophobicContact CD1-CE2 3.76Å; L363-F365 HydrophobicContact CD1-CZ 3.99Å; L363-F365 HydrophobicContact CG-CE2 4.37Å; F365-V367 HydrophobicContact CB-CG2 4.07Å
366	D	98	Very high	94.3	Very high	49 Å²	49	26.3 Å²	26.3	26%	0.262	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	110.9	162.9	-71.4	-46.5	0	0	0	108.2	Y292 N293 R339	Y292-D366 CarbonylContact C-O 3.52Å; Y292-D366 WeakPolarHBondContact CA-O 3.48Å; N293-D366 HydrophobicContact CB-CB 4.47Å; N293-D366 PolarHBondContact N-O 3.25Å; N293-D366 PolarHBondContact O-N 2.85Å; R339-D366 WeakPolarHBondContact CB-OD1 3.45Å; R339-D366 IonicContact CZ-OD1 3.17Å; R339-D366 IonicContact CZ-OD2 3.97Å; R339-D366 IonicContact NE-OD1 3.72Å; R339-D366 PolarHBondContact NE-OD1 2.95Å; R339-D366 IonicContact NE-OD2 2.65Å; R339-D366 VanDerWaalsContact NH2-CG 3.33Å; R339-D366 IonicContact NH2-OD1 2.71Å; R339-D366 PolarHBondContact NH2-OD1 2.87Å; R339-D366 VanDerWaalsContact NH2-OD1 3.14Å; R339-D366 IonicContact NH2-OD2 2.73Å; R339-D366 PolarHBondContact NH2-OD2 3.12Å
367	V	97.9	Very high	94.2	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.024	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.3	-172.4	-175.7	0	0	0	0	110.7	Y290 M325 L329 R337 R338 V340 F365 V369	Y290-V367 HydrophobicContact CD2-CG1 3.94Å; Y290-V367 HydrophobicContact CG-CG1 4.3Å; M325-V367 HydrophobicContact CE-CG2 3.64Å; L329-V367 HydrophobicContact CD2-CG1 3.86Å; R337-V367 WeakPolarHBondContact CA-O 3.48Å; R338-V367 HydrophobicContact CG-CB 4.34Å; R338-V367 PolarHBondContact N-O 3.19Å; R338-V367 VanDerWaalsContact N-O 3.17Å; R338-V367 WeakPolarHBondContact O-CB 3.42Å; R338-V367 PolarHBondContact O-N 3.5Å; V340-V367 HydrophobicContact CG2-CG2 4.27Å; F365-V367 HydrophobicContact CB-CG2 4.07Å; V367-V369 HydrophobicContact CG1-CG2 4.23Å
368	H	95.9	Very high	94	Very high	36 Å²	36	31.5 Å²	31.5	17%	0.167	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	106.3	170.7	177.4	-143.8	0	0	0	108.9	Y290 H291 Y306 R337	Y290-H368 CarbonylContact C-O 3.48Å; Y290-H368 WeakPolarHBondContact CA-O 3.36Å; Y290-H368 WeakPolarHBondContact CB-O 3.24Å; H291-H368 HydrophobicContact CB-CB 4.44Å; H291-H368 PolarHBondContact N-O 3.2Å; H291-H368 PolarHBondContact O-N 3.37Å; Y306-H368 PolarHBondContact OH-ND1 2.8Å; R337-H368 HydrophobicContact CG-CB 4.09Å; R337-H368 PolarHBondContact NE-CD2 3.01Å; R337-H368 PolarHBondContact NE-NE2 3.14Å; R337-H368 PolarHBondContact NH2-CE1 2.79Å; R337-H368 PolarHBondContact NH2-NE2 2.97Å
369	V	94.5	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.3	-178.3	179.5	0	0	0	0	109.4	I288 V332 G335 E336 V367 F372	I288-V369 HydrophobicContact CD1-CG1 4.03Å; I288-V369 HydrophobicContact CD1-CG2 4.26Å; I288-V369 HydrophobicContact CG1-CG1 4.28Å; V332-V369 HydrophobicContact CB-CG2 3.96Å; V332-V369 HydrophobicContact CG1-CG2 3.91Å; V332-V369 HydrophobicContact CG2-CG1 4.06Å; V332-V369 HydrophobicContact CG2-CG2 3.97Å; G335-V369 CarbonylContact C-O 3.55Å; G335-V369 WeakPolarHBondContact CA-O 3.47Å; G335-V369 PolarHBondContact N-O 3.34Å; E336-V369 PolarHBondContact O-N 3.12Å; V367-V369 HydrophobicContact CG1-CG2 4.23Å; V369-F372 HydrophobicContact CG1-CD1 4.05Å; V369-F372 HydrophobicContact CG1-CE1 4.46Å
370	I	90.9	Very high	94	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-64.1	177.4	-56	-53.7	0	0	0	109.1	R289 T311	R289-I370 WeakPolarHBondContact O-CB 3.48Å; R289-I370 PolarHBondContact O-N 2.83Å; T311-I370 HydrophobicContact CG2-CB 4.49Å; T311-I370 HydrophobicContact CG2-CG1 3.86Å
371	D	88.8	Confident	94.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	170.7	169.7	66.4	14.6	0	0	0	113.1	R289 L334 L409 V473	R289-D371 WeakPolarHBondContact CG-OD1 3.34Å; R289-D371 IonicContact CZ-OD1 3.85Å; R289-D371 IonicContact CZ-OD2 2.67Å; R289-D371 PolarHBondContact N-O 3.41Å; R289-D371 IonicContact NE-OD1 2.81Å; R289-D371 PolarHBondContact NE-OD1 3.34Å; R289-D371 IonicContact NE-OD2 3.92Å; R289-D371 PolarHBondContact NE-OD2 3.08Å; R289-D371 VanDerWaalsContact NH2-CG 3.26Å; R289-D371 IonicContact NH2-OD1 3.94Å; R289-D371 PolarHBondContact NH2-OD1 3.35Å; R289-D371 IonicContact NH2-OD2 3.96Å; R289-D371 PolarHBondContact NH2-OD2 3.28Å; R289-D371 PolarHBondContact O-N 2.8Å; L334-D371 HydrophobicContact CD2-CB 4.09Å; D371-L409 HydrophobicContact CB-CB 4.39Å; D371-L409 HydrophobicContact CB-CD1 3.88Å; D371-V473 PolarHBondContact OD2-N 3.39Å
372	F	92.1	Very high	94.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	154.5	166.2	56.7	-87.5	0	0	0	110.7	R280 S282 D286 Y287 I288 V332 L334 V369	R280-F372 HydrophobicContact CG-CE2 3.8Å; R280-F372 HydrophobicContact CG-CZ 4.26Å; S282-F372 VanDerWaalsContact N-CE2 3.31Å; S282-F372 VanDerWaalsContact N-CZ 3.33Å; D286-F372 HydrophobicContact CB-CD2 4.37Å; D286-F372 WeakPolarHBondContact OD2-CD2 3.09Å; Y287-F372 CarbonylContact O-C 3.51Å; Y287-F372 WeakPolarHBondContact O-CA 3.39Å; Y287-F372 WeakPolarHBondContact O-CB 3.37Å; I288-F372 HydrophobicContact CB-CB 4Å; I288-F372 HydrophobicContact CG1-CB 4.04Å; V332-F372 HydrophobicContact CG2-CD1 3.99Å; V332-F372 HydrophobicContact CG2-CE1 3.84Å; V332-F372 WeakPolarHBondContact O-CE1 3.35Å; V332-F372 VanDerWaalsContact O-CZ 3.29Å; V332-F372 WeakPolarHBondContact O-CZ 3.29Å; L334-F372 HydrophobicContact CD2-CD1 3.79Å; L334-F372 HydrophobicContact CD2-CE1 3.69Å; L334-F372 HydrophobicContact CD2-CG 4.49Å; L334-F372 HydrophobicContact CD2-CZ 4.33Å; L334-F372 HydrophobicContact CG-CE1 4.07Å; L334-F372 HydrophobicContact CG-CZ 4.46Å; V369-F372 HydrophobicContact CG1-CD1 4.05Å; V369-F372 HydrophobicContact CG1-CE1 4.46Å
373	H	91.1	Very high	94.1	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	166.2	178.8	64.5	-82.2	0	0	0	110.3	D286 Y287 D377 P456 V473	D286-H373 CarbonylContact C-O 3.47Å; D286-H373 VanDerWaalsContact CA-O 3.29Å; D286-H373 WeakPolarHBondContact CA-O 3.34Å; Y287-H373 AromaticContact CD1-CE1 3.62Å; Y287-H373 PolarHBondContact N-O 2.98Å; Y287-H373 PolarHBondContact O-N 2.82Å; H373-D377 WeakPolarHBondContact CA-OD2 3.47Å; H373-D377 WeakPolarHBondContact CB-OD2 3.49Å; H373-P456 WeakPolarHBondContact CD2-CD 3.18Å; H373-V473 HydrophobicContact CB-CG2 3.79Å
374	N	91.6	Very high	94	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.134	25%	0.247	C	C	.	.			trans	-104.8	146.1	173.3	-151.8	-88.5	0	0	0	110.5	G285 D286 S376 D377	G285-N374 PolarHBondContact O-ND2 3.36Å; D286-N374 WeakPolarHBondContact OD1-CB 3.41Å; D286-N374 PolarHBondContact OD1-ND2 3.02Å; N374-S376 PolarHBondContact O-N 3.32Å; N374-S376 VanDerWaalsContact O-N 3.1Å; N374-S376 VanDerWaalsContact OD1-CB 3.24Å; N374-S376 WeakPolarHBondContact OD1-CB 3.44Å; N374-S376 PolarHBondContact OD1-N 2.97Å; N374-S376 PolarHBondContact OD1-OG 2.93Å; N374-D377 HydrophobicContact CB-CB 4.49Å; N374-D377 WeakPolarHBondContact CB-OD1 3.01Å; N374-D377 VanDerWaalsContact N-CG 3.27Å; N374-D377 PolarHBondContact N-OD2 2.61Å; N374-D377 WeakPolarHBondContact O-CB 3.43Å; N374-D377 PolarHBondContact O-N 3.07Å
375	P	88.3	Confident	94	Very high	64 Å²	64	52 Å²	52	42%	0.416	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-14.6	164.4	-25.8	36.4	0	0	0	114.2	Y315 H457	Y315-P375 HydrophobicContact CE1-CG 3.64Å; P375-H457 PolarHBondContact O-CE1 2.72Å
376	S	90.1	Very high	93.8	Very high	97 Å²	97	56.5 Å²	56.5	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-0.2	176.6	-37	0	0	0	0	114	N374	N374-S376 PolarHBondContact O-N 3.32Å; N374-S376 VanDerWaalsContact O-N 3.1Å; N374-S376 VanDerWaalsContact OD1-CB 3.24Å; N374-S376 WeakPolarHBondContact OD1-CB 3.44Å; N374-S376 PolarHBondContact OD1-N 2.97Å; N374-S376 PolarHBondContact OD1-OG 2.93Å
377	D	90.9	Very high	93.6	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.193	28%	0.283	C	S	.	.			trans	-64	151.2	177.6	-73.6	-14	0	0	0	110.8	R280 H373 N374 P455 H457	R280-D377 IonicContact CZ-OD1 3.62Å; R280-D377 IonicContact CZ-OD2 2.91Å; R280-D377 VanDerWaalsContact NH1-CG 3.34Å; R280-D377 IonicContact NH1-OD1 3.65Å; R280-D377 PolarHBondContact NH1-OD1 2.88Å; R280-D377 IonicContact NH1-OD2 3.2Å; R280-D377 PolarHBondContact NH1-OD2 3.37Å; R280-D377 IonicContact NH2-OD1 2.7Å; R280-D377 PolarHBondContact NH2-OD1 2.53Å; R280-D377 IonicContact NH2-OD2 3.82Å; R280-D377 PolarHBondContact NH2-OD2 3.2Å; R280-D377 VanDerWaalsContact NH2-OD2 3.14Å; H373-D377 WeakPolarHBondContact CA-OD2 3.47Å; H373-D377 WeakPolarHBondContact CB-OD2 3.49Å; N374-D377 HydrophobicContact CB-CB 4.49Å; N374-D377 WeakPolarHBondContact CB-OD1 3.01Å; N374-D377 VanDerWaalsContact N-CG 3.27Å; N374-D377 PolarHBondContact N-OD2 2.61Å; N374-D377 WeakPolarHBondContact O-CB 3.43Å; N374-D377 PolarHBondContact O-N 3.07Å; D377-P455 HydrophobicContact CB-CB 3.91Å; D377-P455 HydrophobicContact CB-CG 4.18Å; D377-H457 PolarHBondContact O-CE1 2.85Å; D377-H457 PolarHBondContact O-NE2 2.83Å
378	K	94	Very high	93.3	Very high	173 Å²	173	64.6 Å²	64.6	75%	0.752	33%	0.327	S	S	*	.			trans	-108.6	170.9	172.3	-62	-169	177.8	-169.4	0	110.5	E380	K378-E380 PolarHBondContact O-N 3.48Å
379	V	94.8	Very high	93	Very high	16 Å²	16	68 Å²	68	10%	0.097	35%	0.35	C	S	.	.			trans	-59.1	124.7	165.6	-168.5	0	0	0	0	109.2	I381 G436 E439 I452 L458	V379-I381 HydrophobicContact CB-CG1 4.49Å; V379-I381 HydrophobicContact CG1-CD1 4.32Å; V379-I381 HydrophobicContact CG1-CG1 3.8Å; V379-G436 WeakPolarHBondContact CG1-O 3.39Å; V379-E439 HydrophobicContact CG2-CB 4.22Å; V379-E439 HydrophobicContact CG2-CG 4.4Å; V379-E439 WeakPolarHBondContact CG2-OE2 3.18Å; V379-I452 HydrophobicContact CG1-CG2 3.36Å; V379-L458 HydrophobicContact CG2-CD1 3.55Å
380	E	94.7	Very high	92.8	Very high	107 Å²	107	69.7 Å²	69.7	50%	0.5	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.8	169.1	-173.5	-174.2	-136.3	0	0	108.1	K378 R451 I452 T453	K378-E380 PolarHBondContact O-N 3.48Å; E380-R451 IonicContact OE2-NH1 2.69Å; E380-I452 CarbonylContact O-C 3.54Å; E380-I452 VanDerWaalsContact O-CA 3.28Å; E380-I452 WeakPolarHBondContact O-CA 3.43Å; E380-T453 PolarHBondContact N-O 3.21Å; E380-T453 PolarHBondContact O-N 3.13Å; E380-T453 WeakPolarHBondContact OE2-CB 3.37Å; E380-T453 PolarHBondContact OE2-OG1 2.71Å
381	I	96.3	Very high	92.8	Very high	68 Å²	68	75.4 Å²	75.4	35%	0.349	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	106.5	-178	-55	172	0	0	0	109.3	V379 R450	V379-I381 HydrophobicContact CB-CG1 4.49Å; V379-I381 HydrophobicContact CG1-CD1 4.32Å; V379-I381 HydrophobicContact CG1-CG1 3.8Å; I381-R450 HydrophobicContact CG2-CG 4.33Å
382	E	96.3	Very high	93	Very high	92 Å²	92	80 Å²	80	43%	0.43	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.4	177.9	179.8	-177.6	-169.1	0	0	109.4	T384 R450 R451	E382-T384 HydrophobicContact CG-CG2 4.17Å; E382-T384 PolarHBondContact O-N 2.86Å; E382-R450 CarbonylContact O-C 3.56Å; E382-R450 VanDerWaalsContact O-CA 3.24Å; E382-R450 WeakPolarHBondContact O-CA 3.05Å; E382-R451 HydrophobicContact CB-CB 4.24Å; E382-R451 WeakPolarHBondContact CB-O 2.98Å; E382-R451 PolarHBondContact N-O 3.05Å; E382-R451 PolarHBondContact O-N 2.8Å; E382-R451 WeakPolarHBondContact OE2-CD 3.33Å; E382-R451 IonicContact OE2-CZ 2.81Å; E382-R451 IonicContact OE2-NE 3.57Å; E382-R451 IonicContact OE2-NH1 3.21Å; E382-R451 PolarHBondContact OE2-NH1 3.07Å
383	V	96.6	Very high	93.1	Very high	72 Å²	72	82.3 Å²	82.3	44%	0.436	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	98.4	176.9	-176	0	0	0	0	109.2	K386 E448 R450	V383-K386 HydrophobicContact CG1-CB 4.03Å; V383-E448 HydrophobicContact CG1-CG 4.08Å; V383-R450 HydrophobicContact CG2-CG 4.21Å
384	T	96.4	Very high	93.4	Very high	80 Å²	80	81.9 Å²	81.9	49%	0.491	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-26.4	-175.1	56.3	0	0	0	0	112.9	E382 K449 R451	E382-T384 HydrophobicContact CG-CG2 4.17Å; E382-T384 PolarHBondContact O-N 2.86Å; T384-K449 PolarHBondContact N-O 3.04Å; T384-K449 PolarHBondContact OG1-O 2.87Å; T384-K449 VanDerWaalsContact OG1-O 3.13Å; T384-R451 HydrophobicContact CG2-CB 3.81Å
385	Y	96.8	Very high	93.5	Very high	122 Å²	122	83.8 Å²	83.8	48%	0.478	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	137.1	170.1	170.6	-100.1	0	0	0	110.8	P387 G447 E448 K449	Y385-P387 HydrophobicContact CE1-CG 3.93Å; Y385-G447 VanDerWaalsContact CD1-O 3.28Å; Y385-G447 WeakPolarHBondContact CD1-O 3.24Å; Y385-G447 WeakPolarHBondContact CE1-O 3.32Å; Y385-E448 WeakPolarHBondContact O-CG 3.08Å; Y385-K449 HydrophobicContact CD1-CG 4.2Å; Y385-K449 PolarHBondContact N-O 3.29Å; Y385-K449 VanDerWaalsContact N-O 3.17Å; Y385-K449 PolarHBondContact O-N 3.43Å
386	K	95	Very high	93.7	Very high	109 Å²	109	85.3 Å²	85.3	47%	0.474	45%	0.446	S	S	.	.			trans	-129.3	125.9	175	-167.9	161.8	-172.6	159.9	0	110.7	V383 C390 E448	V383-K386 HydrophobicContact CG1-CB 4.03Å; K386-C390 WeakPolarHBondContact CE-SG 3.36Å; K386-E448 HydrophobicContact CG-CG 4.42Å; K386-E448 IonicContact NZ-OE2 3.23Å
387	P	93.5	Very high	93.7	Very high	23 Å²	23	81.8 Å²	81.8	15%	0.149	42%	0.419	C	S	.	.			trans	-61	153.4	175.2	-24.6	33.3	0	0	0	113.4	Y385 V389 V446 G447	Y385-P387 HydrophobicContact CE1-CG 3.93Å; P387-V389 VanDerWaalsContact C-N 3.29Å; P387-V389 PolarHBondContact O-N 2.02Å; P387-V446 WeakPolarHBondContact CG-O 3.46Å; P387-G447 VanDerWaalsContact CG-C 3.49Å
388	E	90	Very high	93.9	Very high	200 Å²	200	80.2 Å²	80.2	94%	0.935	41%	0.411	S	S	*	.	S	Bend	trans	-63.9	-33.1	176.4	-61.3	-175.6	167.3	0	0	112.8
389	V	91.2	Very high	93.9	Very high	108 Å²	108	72.2 Å²	72.2	66%	0.655	38%	0.376	S	S	*	.			trans	-104.8	113.2	175.6	-178.1	0	0	0	0	108.7	P387	P387-V389 VanDerWaalsContact C-N 3.29Å; P387-V389 PolarHBondContact O-N 2.02Å
390	C	90.2	Very high	93.9	Very high	35 Å²	35	71.4 Å²	71.4	24%	0.236	37%	0.372	C	S	.	.			trans	-147.3	67.8	-176.5	174.3	0	0	0	0	109.5	K386 C445	K386-C390 WeakPolarHBondContact CE-SG 3.36Å; C390-C445 VanDerWaalsContact C-SG 3.52Å; C390-C445 WeakPolarHBondContact CA-SG 3.49Å; C390-C445 HydrophobicContact CB-CB 3.73Å; C390-C445 WeakPolarHBondContact CB-SG 3.46Å; C390-C445 WeakPolarHBondContact SG-CB 3.46Å; C390-C445 CovalentContact SG-SG 2.02Å; C390-C445 PolarHBondContact SG-SG 2.77Å
391	N	90	Very high	93.9	Very high	142 Å²	142	69.3 Å²	69.3	76%	0.759	36%	0.359	S	S	*	.			trans	-86.7	-37.5	-177.2	-59.7	-7.9	0	0	0	111.8
392	D	92.9	Very high	93.9	Very high	98 Å²	98	66.4 Å²	66.4	52%	0.524	34%	0.344	S	S	.	.			trans	-113	117.3	-175.3	-86.7	-82.7	0	0	0	110.4	C445 F483 R485	D392-C445 PolarHBondContact O-SG 2.87Å; D392-C445 VanDerWaalsContact O-SG 3.33Å; D392-F483 HydrophobicContact CB-CZ 4.11Å; D392-R485 IonicContact OD1-CZ 3.37Å; D392-R485 IonicContact OD1-NE 3.83Å; D392-R485 IonicContact OD1-NH2 3.3Å; D392-R485 PolarHBondContact OD1-NH2 2.82Å
393	T	95.4	Very high	93.8	Very high	50 Å²	50	64.1 Å²	64.1	31%	0.307	33%	0.333	S	S	.	.			trans	-107.2	151.4	175.4	52.6	0	0	0	0	112.4	M444 C445 R485	T393-M444 CarbonylContact C-O 3.32Å; T393-M444 VanDerWaalsContact CA-O 3.25Å; T393-M444 WeakPolarHBondContact CA-O 3.38Å; T393-C445 VanDerWaalsContact CG2-SG 3.59Å; T393-R485 PolarHBondContact O-NH1 2.85Å; T393-R485 PolarHBondContact O-NH2 2.91Å
394	T	95.8	Very high	93.7	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.012	32%	0.318	C	S	.	.			trans	-62.9	143.6	174.5	54.4	0	0	0	0	113.1	V400 L441 G443 M444 M480 F483	T394-V400 HydrophobicContact CG2-CG1 3.47Å; T394-V400 VanDerWaalsContact CG2-CG1 3.47Å; T394-L441 PolarHBondContact OG1-O 3.41Å; T394-G443 WeakPolarHBondContact O-CA 3.29Å; T394-G443 PolarHBondContact O-N 3.44Å; T394-G443 PolarHBondContact OG1-N 3.32Å; T394-M444 HydrophobicContact CG2-CB 4.41Å; T394-M444 PolarHBondContact N-O 2.85Å; T394-M444 PolarHBondContact OG1-N 2.89Å; T394-M480 HydrophobicContact CG2-CE 4.05Å; T394-M480 HydrophobicContact CG2-SD 4.26Å; T394-F483 HydrophobicContact CG2-CB 4.04Å; T394-F483 HydrophobicContact CG2-CD1 3.48Å; T394-F483 VanDerWaalsContact CG2-CD1 3.48Å; T394-F483 HydrophobicContact CG2-CD2 4.21Å; T394-F483 HydrophobicContact CG2-CE1 3.86Å; T394-F483 HydrophobicContact CG2-CG 3.67Å; T394-F483 HydrophobicContact CG2-CZ 4.37Å
395	T	94.1	Very high	93.6	Very high	65 Å²	65	61.4 Å²	61.4	40%	0.399	31%	0.311	S	S	.	.			trans	-139.9	173.9	-177.1	60.4	0	0	0	0	111.8	N397 D398 R485	T395-N397 PolarHBondContact O-N 2.82Å; T395-D398 WeakPolarHBondContact CA-OD2 3.26Å; T395-D398 PolarHBondContact N-OD2 3.01Å; T395-D398 WeakPolarHBondContact O-CB 3.46Å; T395-D398 PolarHBondContact O-N 2.96Å; T395-D398 VanDerWaalsContact O-N 3.12Å; T395-D398 VanDerWaalsContact OG1-CG 3.32Å; T395-D398 PolarHBondContact OG1-OD1 2.79Å; T395-D398 PolarHBondContact OG1-OD2 3.26Å; T395-R485 PolarHBondContact OG1-NH1 3.13Å
396	L	92.4	Very high	93.5	Very high	97 Å²	97	55.8 Å²	55.8	51%	0.508	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	136.4	179.2	-73.3	170.1	0	0	0	111.8	D398	L396-D398 PolarHBondContact O-N 2.71Å
397	N	90.8	Very high	93.5	Very high	22 Å²	22	52 Å²	52	12%	0.118	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	-2.2	-172.9	-48	-85.9	0	0	0	116.3	T395 V427 L428 Q430 G486 V487	T395-N397 PolarHBondContact O-N 2.82Å; N397-V427 WeakPolarHBondContact O-CG1 3.41Å; N397-L428 WeakPolarHBondContact CA-O 3.19Å; N397-L428 PolarHBondContact N-O 3.04Å; N397-Q430 PolarHBondContact OD1-NE2 2.7Å; N397-G486 WeakPolarHBondContact O-CA 3.22Å; N397-V487 VanDerWaalsContact CB-O 3.24Å; N397-V487 WeakPolarHBondContact CB-O 3.48Å
398	D	94.2	Very high	93.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.271	C	S	.	.			trans	-64.6	138.3	169.7	-67.3	-20.8	0	0	0	109.8	T395 L396 L428 F483 E484 R485 G486	T395-D398 WeakPolarHBondContact CA-OD2 3.26Å; T395-D398 PolarHBondContact N-OD2 3.01Å; T395-D398 WeakPolarHBondContact O-CB 3.46Å; T395-D398 PolarHBondContact O-N 2.96Å; T395-D398 VanDerWaalsContact O-N 3.12Å; T395-D398 VanDerWaalsContact OG1-CG 3.32Å; T395-D398 PolarHBondContact OG1-OD1 2.79Å; T395-D398 PolarHBondContact OG1-OD2 3.26Å; L396-D398 PolarHBondContact O-N 2.71Å; D398-L428 PolarHBondContact O-N 3.01Å; D398-F483 HydrophobicContact CB-CD2 4.27Å; D398-E484 CarbonylContact C-O 3.57Å; D398-E484 WeakPolarHBondContact CA-O 3.27Å; D398-R485 VanDerWaalsContact OD1-CA 3.27Å; D398-R485 WeakPolarHBondContact OD1-CA 3.43Å; D398-R485 WeakPolarHBondContact OD1-CD 3.3Å; D398-R485 IonicContact OD2-CZ 3.86Å; D398-R485 IonicContact OD2-NH1 3.71Å; D398-R485 PolarHBondContact OD2-NH1 2.82Å; D398-G486 PolarHBondContact OD1-N 3.33Å
399	L	94.2	Very high	93.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.6	170.8	172.3	69.2	0	0	0	107.9	D425 A426 V427 F483 E484 P537	L399-D425 HydrophobicContact CD1-CB 4.14Å; L399-A426 CarbonylContact C-O 3.53Å; L399-A426 WeakPolarHBondContact CA-O 3.25Å; L399-V427 HydrophobicContact CB-CG2 4.3Å; L399-V427 HydrophobicContact CD1-CG2 3.76Å; L399-F483 CarbonylContact O-C 3.6Å; L399-F483 WeakPolarHBondContact O-CA 3.2Å; L399-F483 WeakPolarHBondContact O-CB 3.4Å; L399-E484 HydrophobicContact CB-CB 4.36Å; L399-E484 PolarHBondContact N-O 2.89Å; L399-E484 PolarHBondContact O-N 2.75Å; L399-P537 HydrophobicContact CB-CB 3.64Å; L399-P537 HydrophobicContact CB-CG 3.79Å; L399-P537 HydrophobicContact CD2-CB 3.94Å; L399-P537 HydrophobicContact CG-CB 4.44Å
400	V	95.5	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	145.8	176.7	-63.3	0	0	0	0	111.2	T394 Y402 D425 A426 L428 L441 M480 F483	T394-V400 HydrophobicContact CG2-CG1 3.47Å; T394-V400 VanDerWaalsContact CG2-CG1 3.47Å; V400-Y402 HydrophobicContact CG2-CD1 3.94Å; V400-Y402 HydrophobicContact CG2-CE1 4.16Å; V400-D425 CarbonylContact O-C 3.6Å; V400-D425 WeakPolarHBondContact O-CA 3.36Å; V400-D425 WeakPolarHBondContact O-CB 3.37Å; V400-A426 HydrophobicContact CG2-CB 4.21Å; V400-A426 WeakPolarHBondContact CG2-O 3.45Å; V400-A426 PolarHBondContact N-O 2.9Å; V400-A426 PolarHBondContact O-N 3.49Å; V400-L428 HydrophobicContact CG1-CD1 3.77Å; V400-L428 HydrophobicContact CG1-CD2 4.44Å; V400-L428 HydrophobicContact CG1-CG 4Å; V400-L428 HydrophobicContact CG2-CD2 3.91Å; V400-L428 HydrophobicContact CG2-CG 4.19Å; V400-L441 HydrophobicContact CG2-CD1 4.28Å; V400-M480 HydrophobicContact CB-CE 3.86Å; V400-M480 HydrophobicContact CB-SD 3.91Å; V400-M480 HydrophobicContact CG1-CE 3.85Å; V400-M480 HydrophobicContact CG1-SD 4.09Å; V400-F483 HydrophobicContact CB-CB 4.44Å; V400-F483 HydrophobicContact CG1-CB 3.96Å
401	R	94.9	Very high	92.5	Very high	63 Å²	63	43.8 Å²	43.8	24%	0.238	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.9	167.7	-49.9	-164.9	178	87.7	2.2	109	Q424 D425 V481 S482 E484	R401-Q424 WeakPolarHBondContact CA-O 3.47Å; R401-D425 HydrophobicContact CG-CB 3.89Å; R401-V481 WeakPolarHBondContact O-CA 3.27Å; R401-V481 WeakPolarHBondContact O-CB 3.25Å; R401-V481 PolarHBondContact O-N 2.81Å; R401-S482 PolarHBondContact N-O 2.86Å; R401-S482 PolarHBondContact O-N 3.33Å; R401-S482 VanDerWaalsContact O-N 3.13Å; R401-E484 IonicContact CZ-OE1 3.17Å; R401-E484 IonicContact NH1-OE1 2.83Å; R401-E484 PolarHBondContact NH1-OE1 2.8Å; R401-E484 IonicContact NH2-OE1 2.82Å; R401-E484 PolarHBondContact NH2-OE1 3.18Å; R401-E484 IonicContact NH2-OE2 3.92Å
402	Y	95.1	Very high	92.5	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.7	-168.2	63.4	-76.7	0	0	0	112.1	V400 Y404 Q424 A426 L437 L441 E479	V400-Y402 HydrophobicContact CG2-CD1 3.94Å; V400-Y402 HydrophobicContact CG2-CE1 4.16Å; Y402-Y404 HydrophobicContact CD2-CD1 4.19Å; Y402-Y404 AromaticContact CE2-CD1 3.61Å; Y402-Y404 HydrophobicContact CE2-CD1 3.61Å; Y402-Y404 HydrophobicContact CE2-CE1 4.44Å; Y402-Y404 HydrophobicContact CE2-CG 4.31Å; Y402-Q424 PolarHBondContact N-O 3Å; Y402-A426 HydrophobicContact CE1-CB 4.2Å; Y402-L437 HydrophobicContact CE2-CD2 4.44Å; Y402-L441 HydrophobicContact CD1-CD1 4.36Å; Y402-L441 HydrophobicContact CD1-CD2 4.03Å; Y402-L441 HydrophobicContact CD2-CD2 3.96Å; Y402-L441 HydrophobicContact CE1-CD1 3.91Å; Y402-L441 HydrophobicContact CE1-CD2 4.37Å; Y402-L441 HydrophobicContact CE2-CD1 4.25Å; Y402-L441 HydrophobicContact CE2-CD2 4.29Å; Y402-L441 HydrophobicContact CG-CD2 3.83Å; Y402-E479 CarbonylContact C-O 3.56Å; Y402-E479 VanDerWaalsContact CA-O 3.28Å; Y402-E479 WeakPolarHBondContact CA-O 3.32Å; Y402-E479 WeakPolarHBondContact CB-O 3.32Å
403	H	94.9	Very high	92.5	Very high	43 Å²	43	40.4 Å²	40.4	20%	0.199	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148.5	163	-78.7	-62.2	0	0	0	109.9	S417 H418 I478 E479	H403-S417 WeakPolarHBondContact CA-OG 3.33Å; H403-S417 WeakPolarHBondContact CB-OG 3.34Å; H403-S417 PolarHBondContact ND1-OG 2.9Å; H403-H418 AromaticContact CE1-CE1 3.56Å; H403-H418 AromaticContact CE1-ND1 3.71Å; H403-H418 AromaticContact CG-CE1 3.65Å; H403-H418 AromaticContact ND1-CE1 3.32Å; H403-H418 PolarHBondContact ND1-CE1 2.96Å; H403-H418 VanDerWaalsContact ND1-CE1 3.32Å; H403-H418 AromaticContact ND1-ND1 3.66Å; H403-H418 AromaticContact NE2-CE1 3.97Å; H403-I478 CarbonylContact O-C 3.57Å; H403-I478 VanDerWaalsContact O-CA 3.26Å; H403-I478 WeakPolarHBondContact O-CA 3.3Å; H403-E479 HydrophobicContact CB-CB 4.47Å; H403-E479 PolarHBondContact N-O 3.1Å; H403-E479 PolarHBondContact O-N 3.01Å
404	Y	94.3	Very high	92.4	Very high	32 Å²	32	39.8 Å²	39.8	13%	0.125	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153	172.3	74.1	-98.6	0	0	0	112.2	Y402 C406 F415 S416 S417 Q424 F476 S477	Y402-Y404 HydrophobicContact CD2-CD1 4.19Å; Y402-Y404 AromaticContact CE2-CD1 3.61Å; Y402-Y404 HydrophobicContact CE2-CD1 3.61Å; Y402-Y404 HydrophobicContact CE2-CE1 4.44Å; Y402-Y404 HydrophobicContact CE2-CG 4.31Å; Y404-C406 HydrophobicContact CD2-CB 4.12Å; Y404-C406 HydrophobicContact CE2-CB 4.14Å; Y404-F415 HydrophobicContact CE2-CB 4.06Å; Y404-S416 PolarHBondContact O-OG 2.86Å; Y404-S417 PolarHBondContact N-OG 2.83Å; Y404-S417 PolarHBondContact O-N 2.89Å; Y404-S417 PolarHBondContact O-OG 3.37Å; Y404-S417 VanDerWaalsContact O-OG 3.07Å; Y404-Q424 HydrophobicContact CD1-CB 4.45Å; Y404-Q424 HydrophobicContact CD1-CG 4.39Å; Y404-Q424 HydrophobicContact CE1-CB 4.2Å; Y404-Q424 HydrophobicContact CE1-CG 3.82Å; Y404-F476 HydrophobicContact CD2-CD1 4.13Å; Y404-F476 HydrophobicContact CD2-CE1 4.37Å; Y404-F476 HydrophobicContact CG-CD1 4.48Å; Y404-S477 CarbonylContact C-O 3.6Å; Y404-S477 VanDerWaalsContact CA-O 3.3Å; Y404-S477 WeakPolarHBondContact CA-O 3.46Å
405	N	95	Very high	92.1	Very high	64 Å²	64	42.6 Å²	42.6	34%	0.342	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.1	155.7	-70.6	-23.2	0	0	0	107.8	L413 S416 F476 S477	N405-L413 HydrophobicContact CB-CD1 4.19Å; N405-S416 VanDerWaalsContact OD1-CB 3.27Å; N405-S416 WeakPolarHBondContact OD1-CB 3.4Å; N405-S416 PolarHBondContact OD1-OG 3.39Å; N405-F476 CarbonylContact O-C 3.28Å; N405-F476 WeakPolarHBondContact O-CA 3.47Å; N405-S477 PolarHBondContact N-O 2.98Å; N405-S477 PolarHBondContact O-N 3Å
406	C	95	Very high	92	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.9	178.3	-175.2	0	0	0	0	109.7	Y404 L414 F415 V475 F476	Y404-C406 HydrophobicContact CD2-CB 4.12Å; Y404-C406 HydrophobicContact CE2-CB 4.14Å; C406-L414 PolarHBondContact O-N 2.75Å; C406-F415 HydrophobicContact CB-CB 4.45Å; C406-F415 PolarHBondContact N-O 3.31Å; C406-F415 PolarHBondContact O-N 3.07Å; C406-V475 WeakPolarHBondContact CA-O 3.16Å; C406-F476 HydrophobicContact CB-CD1 3.8Å; C406-F476 HydrophobicContact CB-CE1 3.63Å; C406-F476 HydrophobicContact CB-CZ 4.25Å; C406-F476 WeakPolarHBondContact SG-CE1 3.44Å; C406-F476 WeakPolarHBondContact SG-CZ 3.45Å
407	T	95.1	Very high	92	Very high	29 Å²	29	35.2 Å²	35.2	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	164.5	175.8	77.4	0	0	0	0	111.5	T412 L413 V475	T407-T412 CarbonylContact C-O 3.51Å; T407-T412 WeakPolarHBondContact CA-O 3.34Å; T407-T412 WeakPolarHBondContact CB-O 3.2Å; T407-L413 HydrophobicContact CG2-CD1 4.13Å; T407-V475 PolarHBondContact N-O 3.21Å; T407-V475 PolarHBondContact O-N 2.91Å
408	L	90.5	Very high	91.7	Very high	13 Å²	13	40 Å²	40	7%	0.068	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	168.8	157.6	-64.7	179	0	0	0	110.7	D410 G411 T412 L414 P469 A472 L474	L408-D410 WeakPolarHBondContact CB-OD1 3.48Å; L408-D410 PolarHBondContact O-N 3.21Å; L408-G411 PolarHBondContact O-N 2.73Å; L408-T412 PolarHBondContact N-O 3.45Å; L408-L414 HydrophobicContact CD1-CD2 4.39Å; L408-L414 HydrophobicContact CD2-CD1 3.89Å; L408-L414 HydrophobicContact CG-CD1 4.12Å; L408-L414 HydrophobicContact CG-CD2 4.06Å; L408-L414 HydrophobicContact CG-CG 4.26Å; L408-P469 HydrophobicContact CD1-CG 4.42Å; L408-A472 HydrophobicContact CD2-CB 3.67Å; L408-L474 HydrophobicContact CD2-CD2 4.47Å
409	L	85.6	Confident	91	Very high	46 Å²	46	45.2 Å²	45.2	24%	0.241	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	173.4	-84.8	173.2	0	0	0	114.1	L334 D371 G411 T453 V473 V475	L334-L409 HydrophobicContact CD1-CD1 3.95Å; L334-L409 HydrophobicContact CD1-CD2 4.15Å; L334-L409 HydrophobicContact CD1-CG 4.47Å; L334-L409 HydrophobicContact CD2-CD1 4Å; D371-L409 HydrophobicContact CB-CB 4.39Å; D371-L409 HydrophobicContact CB-CD1 3.88Å; L409-G411 PolarHBondContact O-N 3.47Å; L409-T453 HydrophobicContact CD2-CG2 4.19Å; L409-V473 HydrophobicContact CD1-CB 3.58Å; L409-V473 HydrophobicContact CD1-CG1 3.72Å; L409-V473 HydrophobicContact CD1-CG2 3.88Å; L409-V473 HydrophobicContact CG-CB 3.97Å; L409-V473 HydrophobicContact CG-CG1 3.98Å; L409-V475 HydrophobicContact CD2-CG2 3.73Å; L409-V475 HydrophobicContact CG-CG2 4.17Å
410	D	80.3	Confident	90.1	Very high	85 Å²	85	50.3 Å²	50.3	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.1	174.6	64.5	19	0	0	0	113.8	L408 T412	L408-D410 WeakPolarHBondContact CB-OD1 3.48Å; L408-D410 PolarHBondContact O-N 3.21Å; D410-T412 WeakPolarHBondContact OD1-CB 3.34Å; D410-T412 PolarHBondContact OD1-N 2.94Å; D410-T412 PolarHBondContact OD1-OG1 3.34Å
411	G	86.7	Confident	88.7	Confident	50 Å²	50	59.9 Å²	59.9	52%	0.515	31%	0.305	S	S	.	.			trans	88	-0.4	-177.9	0	0	0	0	0	115.1	L408 L409 L413	L408-G411 PolarHBondContact O-N 2.73Å; L409-G411 PolarHBondContact O-N 3.47Å; G411-L413 PolarHBondContact O-N 2.96Å; G411-L413 VanDerWaalsContact O-N 3.12Å
412	T	89.5	Confident	87.4	Confident	71 Å²	71	63 Å²	63	44%	0.436	33%	0.327	S	S	.	.			trans	-61.2	113.8	174.3	-57.1	0	0	0	0	110.2	T407 L408 D410 L414	T407-T412 CarbonylContact C-O 3.51Å; T407-T412 WeakPolarHBondContact CA-O 3.34Å; T407-T412 WeakPolarHBondContact CB-O 3.2Å; L408-T412 PolarHBondContact N-O 3.45Å; D410-T412 WeakPolarHBondContact OD1-CB 3.34Å; D410-T412 PolarHBondContact OD1-N 2.94Å; D410-T412 PolarHBondContact OD1-OG1 3.34Å; T412-L414 HydrophobicContact CG2-CD2 4.45Å; T412-L414 PolarHBondContact O-N 3.13Å
413	L	93.3	Very high	86.6	Confident	99 Å²	99	67.4 Å²	67.4	52%	0.518	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129	174.5	-177	69.5	0	0	0	110.2	N405 T407 G411	N405-L413 HydrophobicContact CB-CD1 4.19Å; T407-L413 HydrophobicContact CG2-CD1 4.13Å; G411-L413 PolarHBondContact O-N 2.96Å; G411-L413 VanDerWaalsContact O-N 3.12Å
414	L	92.6	Very high	86.4	Confident	36 Å²	36	67.8 Å²	67.8	19%	0.188	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-48.5	175.7	-57.2	-176.2	0	0	0	111.2	C406 L408 T412 V468 L474	C406-L414 PolarHBondContact O-N 2.75Å; L408-L414 HydrophobicContact CD1-CD2 4.39Å; L408-L414 HydrophobicContact CD2-CD1 3.89Å; L408-L414 HydrophobicContact CG-CD1 4.12Å; L408-L414 HydrophobicContact CG-CD2 4.06Å; L408-L414 HydrophobicContact CG-CG 4.26Å; T412-L414 HydrophobicContact CG2-CD2 4.45Å; T412-L414 PolarHBondContact O-N 3.13Å; L414-V468 HydrophobicContact CD1-CG2 4.24Å; L414-L474 HydrophobicContact CD1-CD2 3.77Å
415	F	91.3	Very high	86.2	Confident	61 Å²	61	70.5 Å²	70.5	27%	0.268	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.4	-176.1	-53.2	-72.7	0	0	0	111.5	Y404 C406 A466 V468	Y404-F415 HydrophobicContact CE2-CB 4.06Å; C406-F415 HydrophobicContact CB-CB 4.45Å; C406-F415 PolarHBondContact N-O 3.31Å; C406-F415 PolarHBondContact O-N 3.07Å; F415-A466 WeakPolarHBondContact CZ-O 3.35Å; F415-V468 HydrophobicContact CE2-CG2 3.78Å; F415-V468 HydrophobicContact CZ-CG2 4.42Å
416	S	91.9	Very high	86.2	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.8	163.6	-173	0	0	0	0	111.2	Y404 N405 H418 D419 Y420	Y404-S416 PolarHBondContact O-OG 2.86Å; N405-S416 VanDerWaalsContact OD1-CB 3.27Å; N405-S416 WeakPolarHBondContact OD1-CB 3.4Å; N405-S416 PolarHBondContact OD1-OG 3.39Å; S416-H418 PolarHBondContact O-N 3.41Å; S416-H418 WeakPolarHBondContact OG-CB 3.35Å; S416-H418 PolarHBondContact OG-CD2 3.08Å; S416-H418 PolarHBondContact OG-N 2.77Å; S416-D419 WeakPolarHBondContact CA-OD2 3.26Å; S416-D419 WeakPolarHBondContact CB-OD2 3.3Å; S416-D419 PolarHBondContact N-OD2 2.86Å; S416-D419 WeakPolarHBondContact O-CB 3.4Å; S416-D419 PolarHBondContact O-N 2.83Å; S416-D419 VanDerWaalsContact O-N 3.08Å; S416-Y420 VanDerWaalsContact O-CD2 3.29Å; S416-Y420 WeakPolarHBondContact O-CD2 3.29Å; S416-Y420 WeakPolarHBondContact O-CE2 3.37Å
417	S	90.9	Very high	86	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.007	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-57.2	-22.5	162.3	63.1	0	0	0	0	113.2	H403 Y404 D419	H403-S417 WeakPolarHBondContact CA-OG 3.33Å; H403-S417 WeakPolarHBondContact CB-OG 3.34Å; H403-S417 PolarHBondContact ND1-OG 2.9Å; Y404-S417 PolarHBondContact N-OG 2.83Å; Y404-S417 PolarHBondContact O-N 2.89Å; Y404-S417 PolarHBondContact O-OG 3.37Å; Y404-S417 VanDerWaalsContact O-OG 3.07Å; S417-D419 VanDerWaalsContact C-N 3.33Å
418	H	84.6	Confident	86	Confident	124 Å²	124	66.9 Å²	66.9	57%	0.574	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-81.3	-8.6	176.7	-57.5	-63.3	0	0	0	113.8	H403 S416 Y420	H403-H418 AromaticContact CE1-CE1 3.56Å; H403-H418 AromaticContact CE1-ND1 3.71Å; H403-H418 AromaticContact CG-CE1 3.65Å; H403-H418 AromaticContact ND1-CE1 3.32Å; H403-H418 PolarHBondContact ND1-CE1 2.96Å; H403-H418 VanDerWaalsContact ND1-CE1 3.32Å; H403-H418 AromaticContact ND1-ND1 3.66Å; H403-H418 AromaticContact NE2-CE1 3.97Å; S416-H418 PolarHBondContact O-N 3.41Å; S416-H418 WeakPolarHBondContact OG-CB 3.35Å; S416-H418 PolarHBondContact OG-CD2 3.08Å; S416-H418 PolarHBondContact OG-N 2.77Å; H418-Y420 PolarHBondContact O-N 2.9Å
419	D	80.8	Confident	86	Confident	112 Å²	112	67.9 Å²	67.9	60%	0.599	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-75.1	-7.9	171.6	-56.9	-37.6	0	0	0	111.9	S416 S417	S416-D419 WeakPolarHBondContact CA-OD2 3.26Å; S416-D419 WeakPolarHBondContact CB-OD2 3.3Å; S416-D419 PolarHBondContact N-OD2 2.86Å; S416-D419 WeakPolarHBondContact O-CB 3.4Å; S416-D419 PolarHBondContact O-N 2.83Å; S416-D419 VanDerWaalsContact O-N 3.08Å; S417-D419 VanDerWaalsContact C-N 3.33Å
420	Y	74.6	Confident	86.1	Confident	112 Å²	112	68.4 Å²	68.4	44%	0.439	36%	0.363	S	S	.	.	S	Bend	trans	-115.4	143.9	-179.9	-53.9	-88.9	0	0	0	110	S416 H418 N422	S416-Y420 VanDerWaalsContact O-CD2 3.29Å; S416-Y420 WeakPolarHBondContact O-CD2 3.29Å; S416-Y420 WeakPolarHBondContact O-CE2 3.37Å; H418-Y420 PolarHBondContact O-N 2.9Å; Y420-N422 PolarHBondContact O-N 2.65Å; Y420-N422 VanDerWaalsContact O-N 3.12Å
421	E	66.4	Low	86.5	Confident	200 Å²	200	71.2 Å²	71.2	94%	0.935	38%	0.378	S	S	*	.	S	Bend	trans	-68.1	-10.6	-178.7	-62.9	-173.4	145.3	0	0	114.1
422	N	67.2	Low	86.7	Confident	129 Å²	129	75.5 Å²	75.5	69%	0.69	38%	0.382	S	S	*	.	S	Bend	trans	-123.4	148.3	-176.5	-67.2	-61.6	0	0	0	111.8	Y420	Y420-N422 PolarHBondContact O-N 2.65Å; Y420-N422 VanDerWaalsContact O-N 3.12Å
423	M	78.1	Confident	86.9	Confident	99 Å²	99	73.5 Å²	73.5	49%	0.488	37%	0.37	S	S	.	.			trans	-58	145.7	166	-67.9	172.8	-74.8	0	0	110.4	V481	M423-V481 HydrophobicContact SD-CG1 3.86Å
424	Q	90.1	Very high	87	Confident	52 Å²	52	70.1 Å²	70.1	24%	0.243	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	136.1	-178.5	-66.8	-76.5	-14.4	0	0	109.8	R401 Y402 Y404	R401-Q424 WeakPolarHBondContact CA-O 3.47Å; Y402-Q424 PolarHBondContact N-O 3Å; Y404-Q424 HydrophobicContact CD1-CB 4.45Å; Y404-Q424 HydrophobicContact CD1-CG 4.39Å; Y404-Q424 HydrophobicContact CE1-CB 4.2Å; Y404-Q424 HydrophobicContact CE1-CG 3.82Å
425	D	91.9	Very high	87.1	Confident	89 Å²	89	73.2 Å²	73.2	48%	0.476	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.1	-179.1	71.6	-22.1	0	0	0	113.7	L399 V400 R401	L399-D425 HydrophobicContact CD1-CB 4.14Å; V400-D425 CarbonylContact O-C 3.6Å; V400-D425 WeakPolarHBondContact O-CA 3.36Å; V400-D425 WeakPolarHBondContact O-CB 3.37Å; R401-D425 HydrophobicContact CG-CB 3.89Å
426	A	93.1	Very high	87.3	Confident	4 Å²	4	70.3 Å²	70.3	3%	0.033	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.9	-177.4	0	0	0	0	0	111.2	L399 V400 Y402 K432 V433	L399-A426 CarbonylContact C-O 3.53Å; L399-A426 WeakPolarHBondContact CA-O 3.25Å; V400-A426 HydrophobicContact CG2-CB 4.21Å; V400-A426 WeakPolarHBondContact CG2-O 3.45Å; V400-A426 PolarHBondContact N-O 2.9Å; V400-A426 PolarHBondContact O-N 3.49Å; Y402-A426 HydrophobicContact CE1-CB 4.2Å; A426-K432 HydrophobicContact CB-CB 4.32Å; A426-V433 HydrophobicContact CB-CG1 3.81Å
427	V	92.6	Very high	87.6	Confident	15 Å²	15	70.4 Å²	70.4	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.5	170.4	-176.7	0	0	0	0	108.5	N397 L399 G429 Q430	N397-V427 WeakPolarHBondContact O-CG1 3.41Å; L399-V427 HydrophobicContact CB-CG2 4.3Å; L399-V427 HydrophobicContact CD1-CG2 3.76Å; V427-G429 PolarHBondContact O-N 3.01Å; V427-Q430 HydrophobicContact CB-CB 4.48Å; V427-Q430 HydrophobicContact CG1-CB 4.45Å; V427-Q430 VanDerWaalsContact CG1-CD 3.49Å; V427-Q430 HydrophobicContact CG1-CG 4Å; V427-Q430 PolarHBondContact O-N 3.14Å
428	L	94.1	Very high	87.8	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	131.7	-170.8	-64.1	-179.3	0	0	0	112.3	N397 D398 V400 D438 L441 R442	N397-L428 WeakPolarHBondContact CA-O 3.19Å; N397-L428 PolarHBondContact N-O 3.04Å; D398-L428 PolarHBondContact O-N 3.01Å; V400-L428 HydrophobicContact CG1-CD1 3.77Å; V400-L428 HydrophobicContact CG1-CD2 4.44Å; V400-L428 HydrophobicContact CG1-CG 4Å; V400-L428 HydrophobicContact CG2-CD2 3.91Å; V400-L428 HydrophobicContact CG2-CG 4.19Å; L428-D438 VanDerWaalsContact CA-OD2 3.32Å; L428-D438 WeakPolarHBondContact CA-OD2 3.39Å; L428-L441 HydrophobicContact CD2-CB 3.7Å; L428-L441 HydrophobicContact CD2-CD1 4.18Å; L428-R442 HydrophobicContact CD1-CG 4.09Å
429	G	90.4	Very high	88.4	Confident	34 Å²	34	68.7 Å²	68.7	35%	0.351	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	24.7	-178.5	0	0	0	0	0	115	V427 D438	V427-G429 PolarHBondContact O-N 3.01Å; G429-D438 PolarHBondContact N-OD1 3.29Å; G429-D438 PolarHBondContact N-OD2 3.1Å
430	Q	88.4	Confident	89.1	Confident	57 Å²	57	63.3 Å²	63.3	27%	0.266	32%	0.32	S	S	.	.	S	Bend	trans	-124	33.7	173.9	-61.2	-172.4	17.5	0	0	112.6	N397 V427 K432	N397-Q430 PolarHBondContact OD1-NE2 2.7Å; V427-Q430 HydrophobicContact CB-CB 4.48Å; V427-Q430 HydrophobicContact CG1-CB 4.45Å; V427-Q430 VanDerWaalsContact CG1-CD 3.49Å; V427-Q430 HydrophobicContact CG1-CG 4Å; V427-Q430 PolarHBondContact O-N 3.14Å; Q430-K432 HydrophobicContact CB-CG 4.4Å; Q430-K432 WeakPolarHBondContact O-CD 3.49Å; Q430-K432 WeakPolarHBondContact O-CE 3.31Å; Q430-K432 WeakPolarHBondContact O-CG 3.5Å; Q430-K432 PolarHBondContact O-N 3.34Å; Q430-K432 VanDerWaalsContact O-N 3.08Å
431	D	87.9	Confident	90.2	Very high	145 Å²	145	58 Å²	58	78%	0.775	30%	0.299	S	S	*	.	S	Bend	trans	50.9	35.1	173.6	-47.9	-18.7	0	0	0	113.9
432	K	90.4	Very high	91.6	Very high	139 Å²	139	53.1 Å²	53.1	60%	0.604	27%	0.272	S	S	*	.	S	Bend	trans	-86.8	-23.6	-179.4	-60.3	-50.2	-178.3	-174	0	113.7	A426 Q430	A426-K432 HydrophobicContact CB-CB 4.32Å; Q430-K432 HydrophobicContact CB-CG 4.4Å; Q430-K432 WeakPolarHBondContact O-CD 3.49Å; Q430-K432 WeakPolarHBondContact O-CE 3.31Å; Q430-K432 WeakPolarHBondContact O-CG 3.5Å; Q430-K432 PolarHBondContact O-N 3.34Å; Q430-K432 VanDerWaalsContact O-N 3.08Å
433	V	93.6	Very high	92.9	Very high	30 Å²	30	48.5 Å²	48.5	18%	0.182	25%	0.254	C	S	.	.	S	Bend	trans	-133.7	168.5	175.9	-61.3	0	0	0	0	108.4	A426 L437 D438	A426-V433 HydrophobicContact CB-CG1 3.81Å; V433-L437 HydrophobicContact CB-CD2 4.23Å; V433-L437 HydrophobicContact CG1-CD2 4.44Å; V433-L437 HydrophobicContact CG2-CB 4.35Å; V433-L437 HydrophobicContact CG2-CG 4.38Å; V433-D438 HydrophobicContact CG2-CB 3.82Å
434	I	95.4	Very high	93.8	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.138	23%	0.231	C	C	.	.			trans	-61.2	142.5	174.2	60.8	179.9	0	0	0	111.4	G436 L437 D438 V454 L474 F476	I434-G436 VanDerWaalsContact C-N 3.25Å; I434-G436 PolarHBondContact O-N 2.92Å; I434-G436 VanDerWaalsContact O-N 3.1Å; I434-L437 HydrophobicContact CD1-CB 4.35Å; I434-L437 HydrophobicContact CG1-CB 3.65Å; I434-L437 WeakPolarHBondContact O-CA 3.28Å; I434-L437 WeakPolarHBondContact O-CB 3.28Å; I434-L437 PolarHBondContact O-N 3.25Å; I434-D438 PolarHBondContact O-N 3.28Å; I434-V454 HydrophobicContact CD1-CG1 4.16Å; I434-L474 HydrophobicContact CD1-CD1 3.86Å; I434-F476 HydrophobicContact CD1-CE2 3.76Å; I434-F476 HydrophobicContact CD1-CZ 3.76Å
435	D	95.8	Very high	94.1	Very high	101 Å²	101	41.4 Å²	41.4	54%	0.54	22%	0.22	S	C	.	.	H	α-helix	trans	-47.3	-44.7	-172.7	-56.7	16.9	0	0	0	113.3	L437 D438 E439 L458	D435-L437 PolarHBondContact O-N 3.28Å; D435-D438 WeakPolarHBondContact O-CB 3.42Å; D435-D438 PolarHBondContact O-N 3.17Å; D435-E439 PolarHBondContact O-N 3.17Å; D435-L458 HydrophobicContact CB-CB 4.39Å; D435-L458 HydrophobicContact CB-CD2 4.38Å
436	G	96	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-74.3	-23.3	-178.1	0	0	0	0	0	114.6	V379 I434 G440 L458	V379-G436 WeakPolarHBondContact CG1-O 3.39Å; I434-G436 VanDerWaalsContact C-N 3.25Å; I434-G436 PolarHBondContact O-N 2.92Å; I434-G436 VanDerWaalsContact O-N 3.1Å; G436-G440 PolarHBondContact O-N 2.77Å; G436-G440 VanDerWaalsContact O-N 3.11Å; G436-L458 PolarHBondContact N-O 2.95Å
437	L	96.6	Very high	94.4	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-78.6	-37	169.8	-178.7	58.7	0	0	0	110.5	Y402 V433 I434 D435 G440 L441 I452 F476 I478	Y402-L437 HydrophobicContact CE2-CD2 4.44Å; V433-L437 HydrophobicContact CB-CD2 4.23Å; V433-L437 HydrophobicContact CG1-CD2 4.44Å; V433-L437 HydrophobicContact CG2-CB 4.35Å; V433-L437 HydrophobicContact CG2-CG 4.38Å; I434-L437 HydrophobicContact CD1-CB 4.35Å; I434-L437 HydrophobicContact CG1-CB 3.65Å; I434-L437 WeakPolarHBondContact O-CA 3.28Å; I434-L437 WeakPolarHBondContact O-CB 3.28Å; I434-L437 PolarHBondContact O-N 3.25Å; D435-L437 PolarHBondContact O-N 3.28Å; L437-G440 PolarHBondContact O-N 3.02Å; L437-L441 HydrophobicContact CD1-CD1 4.15Å; L437-L441 HydrophobicContact CD1-CG 4.17Å; L437-L441 HydrophobicContact CG-CD1 3.89Å; L437-L441 HydrophobicContact CG-CG 4.41Å; L437-L441 WeakPolarHBondContact O-CB 3.34Å; L437-L441 WeakPolarHBondContact O-CD1 3.42Å; L437-L441 VanDerWaalsContact O-CG 3.25Å; L437-L441 WeakPolarHBondContact O-CG 3.18Å; L437-L441 PolarHBondContact O-N 3.1Å; L437-I452 HydrophobicContact CD1-CD1 4.14Å; L437-F476 HydrophobicContact CD1-CB 4.3Å; L437-F476 HydrophobicContact CD1-CD1 4.15Å; L437-F476 HydrophobicContact CD1-CD2 4.49Å; L437-F476 HydrophobicContact CD1-CG 4.07Å; L437-F476 HydrophobicContact CD2-CD1 4.11Å; L437-F476 HydrophobicContact CD2-CE1 3.85Å; L437-F476 HydrophobicContact CD2-CZ 4.23Å; L437-I478 HydrophobicContact CD1-CG2 4.31Å
438	D	96.7	Very high	94.6	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-46.7	172.8	-163.3	-81.6	0	0	0	111	L428 G429 V433 I434 D435 G440 L441 R442	L428-D438 VanDerWaalsContact CA-OD2 3.32Å; L428-D438 WeakPolarHBondContact CA-OD2 3.39Å; G429-D438 PolarHBondContact N-OD1 3.29Å; G429-D438 PolarHBondContact N-OD2 3.1Å; V433-D438 HydrophobicContact CG2-CB 3.82Å; I434-D438 PolarHBondContact O-N 3.28Å; D435-D438 WeakPolarHBondContact O-CB 3.42Å; D435-D438 PolarHBondContact O-N 3.17Å; D438-G440 PolarHBondContact O-N 3.07Å; D438-L441 PolarHBondContact O-N 2.88Å; D438-R442 WeakPolarHBondContact O-CG 3.38Å; D438-R442 PolarHBondContact O-N 3.01Å; D438-R442 IonicContact OD1-CZ 2.8Å; D438-R442 IonicContact OD1-NE 3.73Å; D438-R442 PolarHBondContact OD1-NE 3.02Å; D438-R442 IonicContact OD1-NH2 2.77Å; D438-R442 PolarHBondContact OD1-NH2 2.97Å
439	E	96.4	Very high	94.7	Very high	84 Å²	84	44.2 Å²	44.2	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-58.8	-45.6	173	-173.5	174.5	177.2	0	0	111.8	V379 D435 L441 R442	V379-E439 HydrophobicContact CG2-CB 4.22Å; V379-E439 HydrophobicContact CG2-CG 4.4Å; V379-E439 WeakPolarHBondContact CG2-OE2 3.18Å; D435-E439 PolarHBondContact O-N 3.17Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 3.38Å; E439-R442 PolarHBondContact O-N 3.36Å
440	G	96.1	Very high	95.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-28.4	179.1	0	0	0	0	0	115.4	G436 L437 D438 R450	G436-G440 PolarHBondContact O-N 2.77Å; G436-G440 VanDerWaalsContact O-N 3.11Å; L437-G440 PolarHBondContact O-N 3.02Å; D438-G440 PolarHBondContact O-N 3.07Å; G440-R450 PolarHBondContact O-NH1 2.73Å
441	L	96.9	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-81.4	-17	177.3	-75.7	163.6	0	0	0	113.8	T394 V400 Y402 L428 L437 D438 E439 M444 I478 M480	T394-L441 PolarHBondContact OG1-O 3.41Å; V400-L441 HydrophobicContact CG2-CD1 4.28Å; Y402-L441 HydrophobicContact CD1-CD1 4.36Å; Y402-L441 HydrophobicContact CD1-CD2 4.03Å; Y402-L441 HydrophobicContact CD2-CD2 3.96Å; Y402-L441 HydrophobicContact CE1-CD1 3.91Å; Y402-L441 HydrophobicContact CE1-CD2 4.37Å; Y402-L441 HydrophobicContact CE2-CD1 4.25Å; Y402-L441 HydrophobicContact CE2-CD2 4.29Å; Y402-L441 HydrophobicContact CG-CD2 3.83Å; L428-L441 HydrophobicContact CD2-CB 3.7Å; L428-L441 HydrophobicContact CD2-CD1 4.18Å; L437-L441 HydrophobicContact CD1-CD1 4.15Å; L437-L441 HydrophobicContact CD1-CG 4.17Å; L437-L441 HydrophobicContact CG-CD1 3.89Å; L437-L441 HydrophobicContact CG-CG 4.41Å; L437-L441 WeakPolarHBondContact O-CB 3.34Å; L437-L441 WeakPolarHBondContact O-CD1 3.42Å; L437-L441 VanDerWaalsContact O-CG 3.25Å; L437-L441 WeakPolarHBondContact O-CG 3.18Å; L437-L441 PolarHBondContact O-N 3.1Å; D438-L441 PolarHBondContact O-N 2.88Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 3.38Å; L441-M444 HydrophobicContact CD2-SD 4.11Å; L441-I478 HydrophobicContact CD2-CD1 3.62Å; L441-I478 HydrophobicContact CG-CD1 4.27Å; L441-M480 HydrophobicContact CD2-CE 3.71Å
442	R	95.9	Very high	95.9	Very high	98 Å²	98	37.1 Å²	37.1	37%	0.37	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	147.7	177.5	-68.4	163.9	-163.5	-174.8	3	111.5	L428 D438 E439 M444 R450	L428-R442 HydrophobicContact CD1-CG 4.09Å; D438-R442 WeakPolarHBondContact O-CG 3.38Å; D438-R442 PolarHBondContact O-N 3.01Å; D438-R442 IonicContact OD1-CZ 2.8Å; D438-R442 IonicContact OD1-NE 3.73Å; D438-R442 PolarHBondContact OD1-NE 3.02Å; D438-R442 IonicContact OD1-NH2 2.77Å; D438-R442 PolarHBondContact OD1-NH2 2.97Å; E439-R442 PolarHBondContact O-N 3.36Å; R442-M444 VanDerWaalsContact C-N 3.27Å; R442-M444 PolarHBondContact O-N 3.08Å; R442-R450 PolarHBondContact O-NH1 2.65Å
443	G	95.4	Very high	96.1	Very high	31 Å²	31	31.2 Å²	31.2	32%	0.32	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.8	178	0	0	0	0	0	114.6	T394 R450	T394-G443 WeakPolarHBondContact O-CA 3.29Å; T394-G443 PolarHBondContact O-N 3.44Å; T394-G443 PolarHBondContact OG1-N 3.32Å; G443-R450 PolarHBondContact O-NH2 3.46Å
444	M	96.5	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-90	144.2	176.8	-73.3	-170.5	83.3	0	0	112	T393 T394 L441 R442 E448 R450 I478 M480	T393-M444 CarbonylContact C-O 3.32Å; T393-M444 VanDerWaalsContact CA-O 3.25Å; T393-M444 WeakPolarHBondContact CA-O 3.38Å; T394-M444 HydrophobicContact CG2-CB 4.41Å; T394-M444 PolarHBondContact N-O 2.85Å; T394-M444 PolarHBondContact OG1-N 2.89Å; L441-M444 HydrophobicContact CD2-SD 4.11Å; R442-M444 VanDerWaalsContact C-N 3.27Å; R442-M444 PolarHBondContact O-N 3.08Å; M444-E448 HydrophobicContact CE-CB 4.09Å; M444-E448 HydrophobicContact CE-CG 4.37Å; M444-E448 WeakPolarHBondContact CE-O 3.45Å; M444-R450 HydrophobicContact CE-CB 4.47Å; M444-R450 HydrophobicContact CE-CG 4.07Å; M444-I478 HydrophobicContact CE-CD1 3.71Å; M444-I478 HydrophobicContact CE-CG1 4.06Å; M444-I478 HydrophobicContact SD-CD1 3.37Å; M444-I478 WeakPolarHBondContact SD-CD1 3.36Å; M444-I478 HydrophobicContact SD-CG1 4.36Å; M444-M480 HydrophobicContact CB-CB 4.39Å; M444-M480 HydrophobicContact CB-CE 4.04Å; M444-M480 HydrophobicContact CB-CG 4.37Å; M444-M480 HydrophobicContact CE-CB 3.75Å; M444-M480 HydrophobicContact CG-CE 4.4Å; M444-M480 HydrophobicContact SD-CB 4.23Å; M444-M480 HydrophobicContact SD-CE 3.63Å
445	C	95.8	Very high	96.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-91.6	157.5	163.7	-76.6	0	0	0	0	112.5	C390 D392 T393 G447 E448 M480	C390-C445 VanDerWaalsContact C-SG 3.52Å; C390-C445 WeakPolarHBondContact CA-SG 3.49Å; C390-C445 HydrophobicContact CB-CB 3.73Å; C390-C445 WeakPolarHBondContact CB-SG 3.46Å; C390-C445 WeakPolarHBondContact SG-CB 3.46Å; C390-C445 CovalentContact SG-SG 2.02Å; C390-C445 PolarHBondContact SG-SG 2.77Å; D392-C445 PolarHBondContact O-SG 2.87Å; D392-C445 VanDerWaalsContact O-SG 3.33Å; T393-C445 VanDerWaalsContact CG2-SG 3.59Å; C445-G447 PolarHBondContact O-N 3.01Å; C445-E448 HydrophobicContact CB-CB 4.43Å; C445-E448 PolarHBondContact N-OE2 3.04Å; C445-E448 WeakPolarHBondContact O-CB 3.45Å; C445-E448 PolarHBondContact O-N 3.14Å; C445-M480 WeakPolarHBondContact O-CB 3.38Å
446	V	96.2	Very high	96	Very high	72 Å²	72	24.1 Å²	24.1	44%	0.436	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	129.4	171.3	174.9	0	0	0	0	110	P387 E448 V481 F483	P387-V446 WeakPolarHBondContact CG-O 3.46Å; V446-E448 VanDerWaalsContact C-N 3.33Å; V446-V481 WeakPolarHBondContact CG1-O 3.39Å; V446-F483 HydrophobicContact CG2-CD1 3.84Å; V446-F483 HydrophobicContact CG2-CE1 4.05Å
447	G	94.3	Very high	95.8	Very high	22 Å²	22	28.2 Å²	28.2	23%	0.227	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-4.1	-172.6	0	0	0	0	0	114.9	Y385 P387 C445 M480	Y385-G447 VanDerWaalsContact CD1-O 3.28Å; Y385-G447 WeakPolarHBondContact CD1-O 3.24Å; Y385-G447 WeakPolarHBondContact CE1-O 3.32Å; P387-G447 VanDerWaalsContact CG-C 3.49Å; C445-G447 PolarHBondContact O-N 3.01Å; G447-M480 PolarHBondContact N-O 3.04Å
448	E	97.2	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.			trans	-71.4	139.2	174.3	-166.5	177.7	143.5	0	0	110.9	V383 Y385 K386 M444 C445 V446 R450 M480	V383-E448 HydrophobicContact CG1-CG 4.08Å; Y385-E448 WeakPolarHBondContact O-CG 3.08Å; K386-E448 HydrophobicContact CG-CG 4.42Å; K386-E448 IonicContact NZ-OE2 3.23Å; M444-E448 HydrophobicContact CE-CB 4.09Å; M444-E448 HydrophobicContact CE-CG 4.37Å; M444-E448 WeakPolarHBondContact CE-O 3.45Å; C445-E448 HydrophobicContact CB-CB 4.43Å; C445-E448 PolarHBondContact N-OE2 3.04Å; C445-E448 WeakPolarHBondContact O-CB 3.45Å; C445-E448 PolarHBondContact O-N 3.14Å; V446-E448 VanDerWaalsContact C-N 3.33Å; E448-R450 IonicContact OE1-CZ 2.62Å; E448-R450 IonicContact OE1-NE 3.65Å; E448-R450 PolarHBondContact OE1-NE 2.72Å; E448-R450 IonicContact OE1-NH2 2.7Å; E448-R450 PolarHBondContact OE1-NH2 2.87Å; E448-R450 IonicContact OE2-NH2 3.88Å; E448-M480 PolarHBondContact O-N 3.18Å
449	K	97.6	Very high	95.6	Very high	73 Å²	73	30.4 Å²	30.4	32%	0.317	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.4	175.5	-47.9	-167.5	-168.6	-147.1	0	110.6	T384 Y385 I478 E479	T384-K449 PolarHBondContact N-O 3.04Å; T384-K449 PolarHBondContact OG1-O 2.87Å; T384-K449 VanDerWaalsContact OG1-O 3.13Å; Y385-K449 HydrophobicContact CD1-CG 4.2Å; Y385-K449 PolarHBondContact N-O 3.29Å; Y385-K449 VanDerWaalsContact N-O 3.17Å; Y385-K449 PolarHBondContact O-N 3.43Å; K449-I478 WeakPolarHBondContact CA-O 3.1Å; K449-I478 WeakPolarHBondContact CB-O 3.47Å; K449-E479 HydrophobicContact CD-CB 4.28Å; K449-E479 HydrophobicContact CD-CG 4.33Å; K449-E479 WeakPolarHBondContact CE-OE1 3.49Å; K449-E479 WeakPolarHBondContact CE-OE2 3.35Å; K449-E479 HydrophobicContact CG-CB 4.08Å; K449-E479 HydrophobicContact CG-CG 4.17Å; K449-E479 IonicContact NZ-OE1 2.74Å; K449-E479 PolarHBondContact NZ-OE1 3.28Å; K449-E479 IonicContact NZ-OE2 2.8Å; K449-E479 PolarHBondContact NZ-OE2 2.91Å
450	R	97.9	Very high	95.4	Very high	19 Å²	19	30.1 Å²	30.1	7%	0.072	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.4	-178.9	-71.6	175.1	179.1	-177	4.3	110.9	I381 E382 V383 G440 R442 G443 M444 E448 I452 S477 I478	I381-R450 HydrophobicContact CG2-CG 4.33Å; E382-R450 CarbonylContact O-C 3.56Å; E382-R450 VanDerWaalsContact O-CA 3.24Å; E382-R450 WeakPolarHBondContact O-CA 3.05Å; V383-R450 HydrophobicContact CG2-CG 4.21Å; G440-R450 PolarHBondContact O-NH1 2.73Å; R442-R450 PolarHBondContact O-NH1 2.65Å; G443-R450 PolarHBondContact O-NH2 3.46Å; M444-R450 HydrophobicContact CE-CB 4.47Å; M444-R450 HydrophobicContact CE-CG 4.07Å; E448-R450 IonicContact OE1-CZ 2.62Å; E448-R450 IonicContact OE1-NE 3.65Å; E448-R450 PolarHBondContact OE1-NE 2.72Å; E448-R450 IonicContact OE1-NH2 2.7Å; E448-R450 PolarHBondContact OE1-NH2 2.87Å; E448-R450 IonicContact OE2-NH2 3.88Å; R450-I452 HydrophobicContact CB-CD1 4.44Å; R450-I452 HydrophobicContact CB-CG1 4.08Å; R450-S477 CarbonylContact O-C 3.6Å; R450-S477 WeakPolarHBondContact O-CA 3.48Å; R450-I478 HydrophobicContact CB-CD1 4.28Å; R450-I478 HydrophobicContact CB-CG1 3.83Å; R450-I478 PolarHBondContact N-O 2.87Å; R450-I478 VanDerWaalsContact N-O 3.07Å; R450-I478 PolarHBondContact O-N 3.5Å
451	R	97.1	Very high	95.1	Very high	69 Å²	69	31.1 Å²	31.1	26%	0.26	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.7	160	176.8	176.3	162.5	-72.1	-18.9	107	E380 E382 T384 T453 V475 F476	E380-R451 IonicContact OE2-NH1 2.69Å; E382-R451 HydrophobicContact CB-CB 4.24Å; E382-R451 WeakPolarHBondContact CB-O 2.98Å; E382-R451 PolarHBondContact N-O 3.05Å; E382-R451 PolarHBondContact O-N 2.8Å; E382-R451 WeakPolarHBondContact OE2-CD 3.33Å; E382-R451 IonicContact OE2-CZ 2.81Å; E382-R451 IonicContact OE2-NE 3.57Å; E382-R451 IonicContact OE2-NH1 3.21Å; E382-R451 PolarHBondContact OE2-NH1 3.07Å; T384-R451 HydrophobicContact CG2-CB 3.81Å; R451-T453 PolarHBondContact NH2-OG1 2.82Å; R451-V475 HydrophobicContact CG-CG1 3.85Å; R451-F476 CarbonylContact C-O 3.58Å; R451-F476 WeakPolarHBondContact CA-O 3.41Å
452	I	97.1	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.6	-174.2	-56.1	160	0	0	0	108.5	V379 E380 L437 R450 V454 V475 F476 I478	V379-I452 HydrophobicContact CG1-CG2 3.36Å; E380-I452 CarbonylContact O-C 3.54Å; E380-I452 VanDerWaalsContact O-CA 3.28Å; E380-I452 WeakPolarHBondContact O-CA 3.43Å; L437-I452 HydrophobicContact CD1-CD1 4.14Å; R450-I452 HydrophobicContact CB-CD1 4.44Å; R450-I452 HydrophobicContact CB-CG1 4.08Å; I452-V454 HydrophobicContact CG2-CG2 3.8Å; I452-V475 CarbonylContact O-C 3.59Å; I452-V475 WeakPolarHBondContact O-CA 3.39Å; I452-F476 HydrophobicContact CB-CB 4.38Å; I452-F476 PolarHBondContact N-O 2.85Å; I452-F476 PolarHBondContact O-N 2.62Å; I452-I478 HydrophobicContact CD1-CD1 3.41Å; I452-I478 VanDerWaalsContact CD1-CD1 3.41Å; I452-I478 HydrophobicContact CD1-CG1 3.84Å; I452-I478 HydrophobicContact CD1-CG2 4.31Å
453	T	94.6	Very high	94.1	Very high	15 Å²	15	43.9 Å²	43.9	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.3	171.2	-44.4	0	0	0	0	108.7	E380 L409 R451 V473 L474 V475	E380-T453 PolarHBondContact N-O 3.21Å; E380-T453 PolarHBondContact O-N 3.13Å; E380-T453 WeakPolarHBondContact OE2-CB 3.37Å; E380-T453 PolarHBondContact OE2-OG1 2.71Å; L409-T453 HydrophobicContact CD2-CG2 4.19Å; R451-T453 PolarHBondContact NH2-OG1 2.82Å; T453-V473 HydrophobicContact CG2-CG1 3.52Å; T453-L474 CarbonylContact C-O 3.47Å; T453-L474 WeakPolarHBondContact CA-O 3.47Å; T453-V475 HydrophobicContact CG2-CG2 4.36Å
454	V	95.6	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.1	-179	178.7	0	0	0	0	109.6	I434 I452 L458 V473 L474 F476	I434-V454 HydrophobicContact CD1-CG1 4.16Å; I452-V454 HydrophobicContact CG2-CG2 3.8Å; V454-L458 HydrophobicContact CG1-CB 4.14Å; V454-L458 VanDerWaalsContact CG1-O 3.31Å; V454-L458 WeakPolarHBondContact CG1-O 3.41Å; V454-V473 WeakPolarHBondContact O-CG1 3.28Å; V454-L474 HydrophobicContact CB-CB 4.41Å; V454-L474 PolarHBondContact N-O 2.67Å; V454-L474 PolarHBondContact O-N 2.82Å; V454-L474 VanDerWaalsContact O-N 3.1Å; V454-F476 HydrophobicContact CG2-CD2 3.98Å; V454-F476 HydrophobicContact CG2-CE2 4.1Å
455	P	93.5	Very high	93.4	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.032	23%	0.233	C	C	.	.			trans	-69.4	153	173.7	30.9	-34.9	0	0	0	110.3	D377 H457 L458 G459	D377-P455 HydrophobicContact CB-CB 3.91Å; D377-P455 HydrophobicContact CB-CG 4.18Å; P455-H457 VanDerWaalsContact C-N 3.26Å; P455-H457 PolarHBondContact O-N 2.86Å; P455-H457 VanDerWaalsContact O-N 3.13Å; P455-L458 HydrophobicContact CG-CB 4.43Å; P455-L458 HydrophobicContact CG-CD1 4.01Å; P455-L458 HydrophobicContact CG-CG 4.23Å; P455-L458 PolarHBondContact O-N 2.81Å; P455-G459 PolarHBondContact O-N 2.85Å
456	P	92.3	Very high	93.2	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.026	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-67.1	-27	-163.4	-19.4	32.8	0	0	0	113.6	H373 L458 G459 H460 G461 S471 A472 V473	H373-P456 WeakPolarHBondContact CD2-CD 3.18Å; P456-L458 PolarHBondContact O-N 3.13Å; P456-G459 CarbonylContact O-C 3.48Å; P456-G459 VanDerWaalsContact O-C 3.29Å; P456-G459 WeakPolarHBondContact O-CA 3.24Å; P456-G459 PolarHBondContact O-N 2.93Å; P456-H460 PolarHBondContact O-N 3.33Å; P456-G461 WeakPolarHBondContact O-CA 3.18Å; P456-G461 PolarHBondContact O-N 3.38Å; P456-S471 VanDerWaalsContact CG-C 3.48Å; P456-S471 VanDerWaalsContact CG-O 3.24Å; P456-S471 WeakPolarHBondContact CG-O 3.34Å; P456-A472 WeakPolarHBondContact CG-O 3.25Å; P456-V473 HydrophobicContact CG-CG2 4.3Å
457	H	91.9	Very high	92.7	Very high	86 Å²	86	49 Å²	49	40%	0.398	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-71.8	-12.1	177.1	68.1	-98.6	0	0	0	113.6	P375 D377 P455	P375-H457 PolarHBondContact O-CE1 2.72Å; D377-H457 PolarHBondContact O-CE1 2.85Å; D377-H457 PolarHBondContact O-NE2 2.83Å; P455-H457 VanDerWaalsContact C-N 3.26Å; P455-H457 PolarHBondContact O-N 2.86Å; P455-H457 VanDerWaalsContact O-N 3.13Å
458	L	94.8	Very high	92.6	Very high	35 Å²	35	48.5 Å²	48.5	18%	0.183	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-107.2	16.6	166.4	-56	178.3	0	0	0	111.5	V379 D435 G436 V454 P455 P456	V379-L458 HydrophobicContact CG2-CD1 3.55Å; D435-L458 HydrophobicContact CB-CB 4.39Å; D435-L458 HydrophobicContact CB-CD2 4.38Å; G436-L458 PolarHBondContact N-O 2.95Å; V454-L458 HydrophobicContact CG1-CB 4.14Å; V454-L458 VanDerWaalsContact CG1-O 3.31Å; V454-L458 WeakPolarHBondContact CG1-O 3.41Å; P455-L458 HydrophobicContact CG-CB 4.43Å; P455-L458 HydrophobicContact CG-CD1 4.01Å; P455-L458 HydrophobicContact CG-CG 4.23Å; P455-L458 PolarHBondContact O-N 2.81Å; P456-L458 PolarHBondContact O-N 3.13Å
459	G	93.8	Very high	92.1	Very high	23 Å²	23	50.8 Å²	50.8	24%	0.237	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-129.5	-176.7	0	0	0	0	0	111.5	P455 P456	P455-G459 PolarHBondContact O-N 2.85Å; P456-G459 CarbonylContact O-C 3.48Å; P456-G459 VanDerWaalsContact O-C 3.29Å; P456-G459 WeakPolarHBondContact O-CA 3.24Å; P456-G459 PolarHBondContact O-N 2.93Å
460	H	92.6	Very high	91.7	Very high	78 Å²	78	49.4 Å²	49.4	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	2.5	-179.7	-62.1	-61.6	0	0	0	114.8	P456 G464 A465	P456-H460 PolarHBondContact O-N 3.33Å; H460-G464 PolarHBondContact O-N 3.47Å; H460-A465 HydrophobicContact CB-CB 4.17Å
461	G	89.2	Confident	91.1	Very high	21 Å²	21	48.6 Å²	48.6	22%	0.216	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	61.2	-161.1	175.7	0	0	0	0	0	114.9	P456 R463 G464 S471	P456-G461 WeakPolarHBondContact O-CA 3.18Å; P456-G461 PolarHBondContact O-N 3.38Å; G461-R463 PolarHBondContact O-N 3.29Å; G461-G464 PolarHBondContact O-N 3.28Å; G461-S471 PolarHBondContact O-N 3.11Å
462	E	84.8	Confident	90.8	Very high	123 Å²	123	45.5 Å²	45.5	58%	0.575	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.4	-178.9	-59.9	-174.9	152.5	0	0	113.6	S470 S471	E462-S470 WeakPolarHBondContact O-CA 3.37Å; E462-S470 WeakPolarHBondContact O-CB 3.28Å; E462-S471 WeakPolarHBondContact CA-OG 3.35Å
463	R	87.1	Confident	90.5	Very high	244 Å²	244	45.8 Å²	45.8	92%	0.921	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-81.1	-21.6	179.8	-69.9	-176.4	-69.8	174.3	-1.8	113.4	G461	G461-R463 PolarHBondContact O-N 3.29Å
464	G	87.9	Confident	90.5	Very high	14 Å²	14	45.2 Å²	45.2	14%	0.144	27%	0.269	C	S	.	.			trans	62.1	-159.9	-171	0	0	0	0	0	112.2	H460 G461 V468	H460-G464 PolarHBondContact O-N 3.47Å; G461-G464 PolarHBondContact O-N 3.28Å; G464-V468 WeakPolarHBondContact CA-O 3.46Å
465	A	90.9	Very high	90.5	Very high	45 Å²	45	45.6 Å²	45.6	37%	0.372	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-148.5	178	178.1	0	0	0	0	0	110.5	H460 G467 V468	H460-A465 HydrophobicContact CB-CB 4.17Å; A465-G467 PolarHBondContact O-N 3.3Å; A465-G467 VanDerWaalsContact O-N 3.14Å; A465-V468 HydrophobicContact CB-CB 4.09Å; A465-V468 HydrophobicContact CB-CG2 4.22Å; A465-V468 PolarHBondContact N-O 3.01Å; A465-V468 PolarHBondContact O-N 2.67Å
466	A	90.1	Very high	90.6	Very high	96 Å²	96	46 Å²	46	79%	0.793	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	121.6	169.6	0	0	0	0	0	109.2	F415 V468	F415-A466 WeakPolarHBondContact CZ-O 3.35Å; A466-V468 VanDerWaalsContact C-N 3.26Å; A466-V468 PolarHBondContact O-N 2.8Å
467	G	87.1	Confident	90.9	Very high	58 Å²	58	48.7 Å²	48.7	60%	0.598	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-10.5	-174.6	0	0	0	0	0	116.1	A465	A465-G467 PolarHBondContact O-N 3.3Å; A465-G467 VanDerWaalsContact O-N 3.14Å
468	V	90.6	Very high	91.1	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.067	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-113.4	119.4	-179.1	-174.4	0	0	0	0	110.9	L414 F415 G464 A465 A466 A472 L474	L414-V468 HydrophobicContact CD1-CG2 4.24Å; F415-V468 HydrophobicContact CE2-CG2 3.78Å; F415-V468 HydrophobicContact CZ-CG2 4.42Å; G464-V468 WeakPolarHBondContact CA-O 3.46Å; A465-V468 HydrophobicContact CB-CB 4.09Å; A465-V468 HydrophobicContact CB-CG2 4.22Å; A465-V468 PolarHBondContact N-O 3.01Å; A465-V468 PolarHBondContact O-N 2.67Å; A466-V468 VanDerWaalsContact C-N 3.26Å; A466-V468 PolarHBondContact O-N 2.8Å; V468-A472 HydrophobicContact CG1-CB 4.14Å; V468-L474 HydrophobicContact CG1-CD2 3.91Å
469	P	88.1	Confident	91.1	Very high	48 Å²	48	46.4 Å²	46.4	31%	0.312	28%	0.28	S	S	.	.			trans	-61.8	154.3	177.9	-19.5	30.4	0	0	0	113.6	L408 S471 A472	L408-P469 HydrophobicContact CD1-CG 4.42Å; P469-S471 PolarHBondContact O-N 3.36Å; P469-A472 HydrophobicContact CB-CB 4.09Å; P469-A472 HydrophobicContact CG-CB 4.32Å; P469-A472 VanDerWaalsContact O-CB 3.28Å; P469-A472 WeakPolarHBondContact O-CB 3.44Å; P469-A472 PolarHBondContact O-N 2.8Å
470	S	87.8	Confident	91.2	Very high	43 Å²	43	45.4 Å²	45.4	30%	0.301	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	128.1	169.3	55.4	0	0	0	0	111.7	R289 N313 E462 A472	R289-S470 VanDerWaalsContact CD-O 3.26Å; R289-S470 WeakPolarHBondContact CD-O 3.38Å; N313-S470 PolarHBondContact ND2-OG 3.48Å; E462-S470 WeakPolarHBondContact O-CA 3.37Å; E462-S470 WeakPolarHBondContact O-CB 3.28Å; S470-A472 PolarHBondContact O-N 3.2Å
471	S	87.3	Confident	91.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	26.9	177.5	-45.4	0	0	0	0	114.9	Y287 P456 G461 E462 P469	Y287-S471 WeakPolarHBondContact CE1-OG 3.46Å; P456-S471 VanDerWaalsContact CG-C 3.48Å; P456-S471 VanDerWaalsContact CG-O 3.24Å; P456-S471 WeakPolarHBondContact CG-O 3.34Å; G461-S471 PolarHBondContact O-N 3.11Å; E462-S471 WeakPolarHBondContact CA-OG 3.35Å; P469-S471 PolarHBondContact O-N 3.36Å
472	A	89	Confident	91.6	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.041	27%	0.269	C	S	.	.			trans	-75	132	177.2	0	0	0	0	0	112.5	L408 P456 V468 P469 S470	L408-A472 HydrophobicContact CD2-CB 3.67Å; P456-A472 WeakPolarHBondContact CG-O 3.25Å; V468-A472 HydrophobicContact CG1-CB 4.14Å; P469-A472 HydrophobicContact CB-CB 4.09Å; P469-A472 HydrophobicContact CG-CB 4.32Å; P469-A472 VanDerWaalsContact O-CB 3.28Å; P469-A472 WeakPolarHBondContact O-CB 3.44Å; P469-A472 PolarHBondContact O-N 2.8Å; S470-A472 PolarHBondContact O-N 3.2Å
473	V	91	Very high	92.1	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	25%	0.249	C	C	.	.			trans	-77	132.2	169.2	-171.8	0	0	0	0	108.9	D371 H373 L409 T453 V454 P456	D371-V473 PolarHBondContact OD2-N 3.39Å; H373-V473 HydrophobicContact CB-CG2 3.79Å; L409-V473 HydrophobicContact CD1-CB 3.58Å; L409-V473 HydrophobicContact CD1-CG1 3.72Å; L409-V473 HydrophobicContact CD1-CG2 3.88Å; L409-V473 HydrophobicContact CG-CB 3.97Å; L409-V473 HydrophobicContact CG-CG1 3.98Å; T453-V473 HydrophobicContact CG2-CG1 3.52Å; V454-V473 WeakPolarHBondContact O-CG1 3.28Å; P456-V473 HydrophobicContact CG-CG2 4.3Å
474	L	94.5	Very high	92.4	Very high	4 Å²	4	33 Å²	33	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.1	-177.5	-58.6	179.7	0	0	0	111	L408 L414 I434 T453 V454 V468 F476	L408-L474 HydrophobicContact CD2-CD2 4.47Å; L414-L474 HydrophobicContact CD1-CD2 3.77Å; I434-L474 HydrophobicContact CD1-CD1 3.86Å; T453-L474 CarbonylContact C-O 3.47Å; T453-L474 WeakPolarHBondContact CA-O 3.47Å; V454-L474 HydrophobicContact CB-CB 4.41Å; V454-L474 PolarHBondContact N-O 2.67Å; V454-L474 PolarHBondContact O-N 2.82Å; V454-L474 VanDerWaalsContact O-N 3.1Å; V468-L474 HydrophobicContact CG1-CD2 3.91Å; L474-F476 HydrophobicContact CB-CD2 4.18Å; L474-F476 HydrophobicContact CB-CE2 3.58Å; L474-F476 HydrophobicContact CB-CZ 4.36Å; L474-F476 HydrophobicContact CD1-CE2 3.88Å; L474-F476 HydrophobicContact CD1-CZ 3.99Å; L474-F476 HydrophobicContact CG-CE2 4.39Å
475	V	95.6	Very high	92.6	Very high	8 Å²	8	35.7 Å²	35.7	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.3	174.8	-177.6	0	0	0	0	108.5	C406 T407 L409 R451 I452 T453	C406-V475 WeakPolarHBondContact CA-O 3.16Å; T407-V475 PolarHBondContact N-O 3.21Å; T407-V475 PolarHBondContact O-N 2.91Å; L409-V475 HydrophobicContact CD2-CG2 3.73Å; L409-V475 HydrophobicContact CG-CG2 4.17Å; R451-V475 HydrophobicContact CG-CG1 3.85Å; I452-V475 CarbonylContact O-C 3.59Å; I452-V475 WeakPolarHBondContact O-CA 3.39Å; T453-V475 HydrophobicContact CG2-CG2 4.36Å
476	F	97.2	Very high	92.5	Very high	13 Å²	13	33.8 Å²	33.8	6%	0.057	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.9	176.1	-66.4	-97.5	0	0	0	110.1	Y404 N405 C406 I434 L437 R451 I452 V454 L474 I478	Y404-F476 HydrophobicContact CD2-CD1 4.13Å; Y404-F476 HydrophobicContact CD2-CE1 4.37Å; Y404-F476 HydrophobicContact CG-CD1 4.48Å; N405-F476 CarbonylContact O-C 3.28Å; N405-F476 WeakPolarHBondContact O-CA 3.47Å; C406-F476 HydrophobicContact CB-CD1 3.8Å; C406-F476 HydrophobicContact CB-CE1 3.63Å; C406-F476 HydrophobicContact CB-CZ 4.25Å; C406-F476 WeakPolarHBondContact SG-CE1 3.44Å; C406-F476 WeakPolarHBondContact SG-CZ 3.45Å; I434-F476 HydrophobicContact CD1-CE2 3.76Å; I434-F476 HydrophobicContact CD1-CZ 3.76Å; L437-F476 HydrophobicContact CD1-CB 4.3Å; L437-F476 HydrophobicContact CD1-CD1 4.15Å; L437-F476 HydrophobicContact CD1-CD2 4.49Å; L437-F476 HydrophobicContact CD1-CG 4.07Å; L437-F476 HydrophobicContact CD2-CD1 4.11Å; L437-F476 HydrophobicContact CD2-CE1 3.85Å; L437-F476 HydrophobicContact CD2-CZ 4.23Å; R451-F476 CarbonylContact C-O 3.58Å; R451-F476 WeakPolarHBondContact CA-O 3.41Å; I452-F476 HydrophobicContact CB-CB 4.38Å; I452-F476 PolarHBondContact N-O 2.85Å; I452-F476 PolarHBondContact O-N 2.62Å; V454-F476 HydrophobicContact CG2-CD2 3.98Å; V454-F476 HydrophobicContact CG2-CE2 4.1Å; L474-F476 HydrophobicContact CB-CD2 4.18Å; L474-F476 HydrophobicContact CB-CE2 3.58Å; L474-F476 HydrophobicContact CB-CZ 4.36Å; L474-F476 HydrophobicContact CD1-CE2 3.88Å; L474-F476 HydrophobicContact CD1-CZ 3.99Å; L474-F476 HydrophobicContact CG-CE2 4.39Å; F476-I478 HydrophobicContact CB-CG2 3.81Å
477	S	97.1	Very high	92.5	Very high	61 Å²	61	29.5 Å²	29.5	43%	0.427	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110.7	163	-64.3	0	0	0	0	108	Y404 N405 R450	Y404-S477 CarbonylContact C-O 3.6Å; Y404-S477 VanDerWaalsContact CA-O 3.3Å; Y404-S477 WeakPolarHBondContact CA-O 3.46Å; N405-S477 PolarHBondContact N-O 2.98Å; N405-S477 PolarHBondContact O-N 3Å; R450-S477 CarbonylContact O-C 3.6Å; R450-S477 WeakPolarHBondContact O-CA 3.48Å
478	I	96.2	Very high	92.4	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	156.8	-172.5	68.8	163.1	0	0	0	113.6	H403 L437 L441 M444 K449 R450 I452 F476	H403-I478 CarbonylContact O-C 3.57Å; H403-I478 VanDerWaalsContact O-CA 3.26Å; H403-I478 WeakPolarHBondContact O-CA 3.3Å; L437-I478 HydrophobicContact CD1-CG2 4.31Å; L441-I478 HydrophobicContact CD2-CD1 3.62Å; L441-I478 HydrophobicContact CG-CD1 4.27Å; M444-I478 HydrophobicContact CE-CD1 3.71Å; M444-I478 HydrophobicContact CE-CG1 4.06Å; M444-I478 HydrophobicContact SD-CD1 3.37Å; M444-I478 WeakPolarHBondContact SD-CD1 3.36Å; M444-I478 HydrophobicContact SD-CG1 4.36Å; K449-I478 WeakPolarHBondContact CA-O 3.1Å; K449-I478 WeakPolarHBondContact CB-O 3.47Å; R450-I478 HydrophobicContact CB-CD1 4.28Å; R450-I478 HydrophobicContact CB-CG1 3.83Å; R450-I478 PolarHBondContact N-O 2.87Å; R450-I478 VanDerWaalsContact N-O 3.07Å; R450-I478 PolarHBondContact O-N 3.5Å; I452-I478 HydrophobicContact CD1-CD1 3.41Å; I452-I478 VanDerWaalsContact CD1-CD1 3.41Å; I452-I478 HydrophobicContact CD1-CG1 3.84Å; I452-I478 HydrophobicContact CD1-CG2 4.31Å; F476-I478 HydrophobicContact CB-CG2 3.81Å
479	E	95.7	Very high	91.9	Very high	68 Å²	68	34 Å²	34	32%	0.318	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120.3	174.4	171.8	164.2	-155.3	0	0	109.9	Y402 H403 K449 V481	Y402-E479 CarbonylContact C-O 3.56Å; Y402-E479 VanDerWaalsContact CA-O 3.28Å; Y402-E479 WeakPolarHBondContact CA-O 3.32Å; Y402-E479 WeakPolarHBondContact CB-O 3.32Å; H403-E479 HydrophobicContact CB-CB 4.47Å; H403-E479 PolarHBondContact N-O 3.1Å; H403-E479 PolarHBondContact O-N 3.01Å; K449-E479 HydrophobicContact CD-CB 4.28Å; K449-E479 HydrophobicContact CD-CG 4.33Å; K449-E479 WeakPolarHBondContact CE-OE1 3.49Å; K449-E479 WeakPolarHBondContact CE-OE2 3.35Å; K449-E479 HydrophobicContact CG-CB 4.08Å; K449-E479 HydrophobicContact CG-CG 4.17Å; K449-E479 IonicContact NZ-OE1 2.74Å; K449-E479 PolarHBondContact NZ-OE1 3.28Å; K449-E479 IonicContact NZ-OE2 2.8Å; K449-E479 PolarHBondContact NZ-OE2 2.91Å; E479-V481 PolarHBondContact O-N 3.48Å
480	M	96.3	Very high	91.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.2	179.8	-177.5	58.8	59.5	0	0	110.5	T394 V400 L441 M444 C445 G447 E448	T394-M480 HydrophobicContact CG2-CE 4.05Å; T394-M480 HydrophobicContact CG2-SD 4.26Å; V400-M480 HydrophobicContact CB-CE 3.86Å; V400-M480 HydrophobicContact CB-SD 3.91Å; V400-M480 HydrophobicContact CG1-CE 3.85Å; V400-M480 HydrophobicContact CG1-SD 4.09Å; L441-M480 HydrophobicContact CD2-CE 3.71Å; M444-M480 HydrophobicContact CB-CB 4.39Å; M444-M480 HydrophobicContact CB-CE 4.04Å; M444-M480 HydrophobicContact CB-CG 4.37Å; M444-M480 HydrophobicContact CE-CB 3.75Å; M444-M480 HydrophobicContact CG-CE 4.4Å; M444-M480 HydrophobicContact SD-CB 4.23Å; M444-M480 HydrophobicContact SD-CE 3.63Å; C445-M480 WeakPolarHBondContact O-CB 3.38Å; G447-M480 PolarHBondContact N-O 3.04Å; E448-M480 PolarHBondContact O-N 3.18Å
481	V	94.8	Very high	91.4	Very high	53 Å²	53	35 Å²	35	32%	0.321	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-41.5	-174.4	-177.7	0	0	0	0	111.9	R401 M423 V446 E479	R401-V481 WeakPolarHBondContact O-CA 3.27Å; R401-V481 WeakPolarHBondContact O-CB 3.25Å; R401-V481 PolarHBondContact O-N 2.81Å; M423-V481 HydrophobicContact SD-CG1 3.86Å; V446-V481 WeakPolarHBondContact CG1-O 3.39Å; E479-V481 PolarHBondContact O-N 3.48Å
482	S	94.6	Very high	91.4	Very high	36 Å²	36	36.7 Å²	36.7	25%	0.252	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	163.8	174.5	62	0	0	0	0	110.2	R401	R401-S482 PolarHBondContact N-O 2.86Å; R401-S482 PolarHBondContact O-N 3.33Å; R401-S482 VanDerWaalsContact O-N 3.13Å
483	F	95.1	Very high	91.4	Very high	35 Å²	35	37.4 Å²	37.4	15%	0.154	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.6	163.8	70	-93.6	0	0	0	112	D392 T394 D398 L399 V400 V446	D392-F483 HydrophobicContact CB-CZ 4.11Å; T394-F483 HydrophobicContact CG2-CB 4.04Å; T394-F483 HydrophobicContact CG2-CD1 3.48Å; T394-F483 VanDerWaalsContact CG2-CD1 3.48Å; T394-F483 HydrophobicContact CG2-CD2 4.21Å; T394-F483 HydrophobicContact CG2-CE1 3.86Å; T394-F483 HydrophobicContact CG2-CG 3.67Å; T394-F483 HydrophobicContact CG2-CZ 4.37Å; D398-F483 HydrophobicContact CB-CD2 4.27Å; L399-F483 CarbonylContact O-C 3.6Å; L399-F483 WeakPolarHBondContact O-CA 3.2Å; L399-F483 WeakPolarHBondContact O-CB 3.4Å; V400-F483 HydrophobicContact CB-CB 4.44Å; V400-F483 HydrophobicContact CG1-CB 3.96Å; V446-F483 HydrophobicContact CG2-CD1 3.84Å; V446-F483 HydrophobicContact CG2-CE1 4.05Å
484	E	93.3	Very high	91.3	Very high	81 Å²	81	38.2 Å²	38.2	38%	0.379	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.6	174.6	-75.5	162.5	-148.3	0	0	109.6	D398 L399 R401 G486 P537	D398-E484 CarbonylContact C-O 3.57Å; D398-E484 WeakPolarHBondContact CA-O 3.27Å; L399-E484 HydrophobicContact CB-CB 4.36Å; L399-E484 PolarHBondContact N-O 2.89Å; L399-E484 PolarHBondContact O-N 2.75Å; R401-E484 IonicContact CZ-OE1 3.17Å; R401-E484 IonicContact NH1-OE1 2.83Å; R401-E484 PolarHBondContact NH1-OE1 2.8Å; R401-E484 IonicContact NH2-OE1 2.82Å; R401-E484 PolarHBondContact NH2-OE1 3.18Å; R401-E484 IonicContact NH2-OE2 3.92Å; E484-G486 PolarHBondContact O-N 2.73Å; E484-P537 HydrophobicContact CB-CB 4Å
485	R	92.4	Very high	91	Very high	71 Å²	71	40.6 Å²	40.6	27%	0.268	23%	0.232	S	C	.	.			trans	-67.7	132	-176.1	-73.7	-66.7	-171	-163.5	0.4	111.7	D392 T393 T395 D398 R534	D392-R485 IonicContact OD1-CZ 3.37Å; D392-R485 IonicContact OD1-NE 3.83Å; D392-R485 IonicContact OD1-NH2 3.3Å; D392-R485 PolarHBondContact OD1-NH2 2.82Å; T393-R485 PolarHBondContact O-NH1 2.85Å; T393-R485 PolarHBondContact O-NH2 2.91Å; T395-R485 PolarHBondContact OG1-NH1 3.13Å; D398-R485 VanDerWaalsContact OD1-CA 3.27Å; D398-R485 WeakPolarHBondContact OD1-CA 3.43Å; D398-R485 WeakPolarHBondContact OD1-CD 3.3Å; D398-R485 IonicContact OD2-CZ 3.86Å; D398-R485 IonicContact OD2-NH1 3.71Å; D398-R485 PolarHBondContact OD2-NH1 2.82Å; R485-R534 WeakPolarHBondContact O-CD 3.3Å; R485-R534 PolarHBondContact O-NE 3.43Å; R485-R534 VanDerWaalsContact O-NE 3.08Å
486	G	89.8	Confident	90.5	Very high	5 Å²	5	44.4 Å²	44.4	5%	0.052	25%	0.252	C	S	.	.			trans	-69.8	177.5	-177.9	0	0	0	0	0	114.6	N397 D398 E484 R534	N397-G486 WeakPolarHBondContact O-CA 3.22Å; D398-G486 PolarHBondContact OD1-N 3.33Å; E484-G486 PolarHBondContact O-N 2.73Å; G486-R534 VanDerWaalsContact O-CZ 3.24Å; G486-R534 PolarHBondContact O-NE 3.13Å; G486-R534 PolarHBondContact O-NH2 3.23Å
487	V	88.4	Confident	90	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.042	28%	0.277	C	S	.	.			trans	-118.9	154.3	165.2	-59.6	0	0	0	0	109.4	N397 Y491 V494 K536	N397-V487 VanDerWaalsContact CB-O 3.24Å; N397-V487 WeakPolarHBondContact CB-O 3.48Å; V487-Y491 WeakPolarHBondContact CG2-O 3.29Å; V487-V494 HydrophobicContact CB-CG1 4.32Å; V487-V494 HydrophobicContact CG1-CG1 4.49Å; V487-V494 HydrophobicContact CG1-CG2 4.01Å; V487-K536 HydrophobicContact CG2-CB 3.68Å; V487-K536 HydrophobicContact CG2-CD 4.43Å; V487-K536 HydrophobicContact CG2-CG 3.83Å
488	P	85.1	Confident	89.1	Confident	64 Å²	64	55.9 Å²	55.9	42%	0.416	30%	0.299	S	S	.	.			trans	-59.5	157.5	-179.8	-23.7	35.2	0	0	0	113	G490 Y491 V494	P488-G490 PolarHBondContact O-N 3.09Å; P488-Y491 HydrophobicContact CB-CD2 4.04Å; P488-Y491 WeakPolarHBondContact O-CB 3.49Å; P488-Y491 PolarHBondContact O-N 2.84Å; P488-V494 HydrophobicContact CG-CG1 4.12Å
489	P	80.9	Confident	88.4	Confident	100 Å²	100	59 Å²	59	65%	0.649	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	124	-177.7	-30.1	37	0	0	0	113.9	Y491	P489-Y491 VanDerWaalsContact C-N 3.3Å; P489-Y491 PolarHBondContact O-N 3.45Å
490	G	80.3	Confident	87.6	Confident	64 Å²	64	57.4 Å²	57.4	66%	0.66	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	16.3	179.8	0	0	0	0	0	115.3	P488 K568	P488-G490 PolarHBondContact O-N 3.09Å; G490-K568 PolarHBondContact O-NZ 2.9Å
491	Y	85.9	Confident	86.7	Confident	46 Å²	46	62.9 Å²	62.9	18%	0.18	36%	0.36	C	S	.	.			trans	-97	149.4	164.8	-75	-108.2	0	0	0	109.7	V487 P488 P489 V494 K568 V569 D572	V487-Y491 WeakPolarHBondContact CG2-O 3.29Å; P488-Y491 HydrophobicContact CB-CD2 4.04Å; P488-Y491 WeakPolarHBondContact O-CB 3.49Å; P488-Y491 PolarHBondContact O-N 2.84Å; P489-Y491 VanDerWaalsContact C-N 3.3Å; P489-Y491 PolarHBondContact O-N 3.45Å; Y491-V494 HydrophobicContact CD1-CG1 4.13Å; Y491-V494 HydrophobicContact CG-CG1 4.38Å; Y491-K568 HydrophobicContact CD1-CD 4.4Å; Y491-K568 HydrophobicContact CD2-CD 4.2Å; Y491-K568 HydrophobicContact CE1-CB 4.04Å; Y491-K568 HydrophobicContact CE1-CD 4.03Å; Y491-K568 HydrophobicContact CE1-CG 4.2Å; Y491-K568 HydrophobicContact CE2-CD 3.79Å; Y491-K568 HydrophobicContact CE2-CG 4.42Å; Y491-K568 HydrophobicContact CG-CD 4.46Å; Y491-V569 HydrophobicContact CE1-CG2 3.9Å; Y491-D572 PolarHBondContact OH-OD2 2.91Å
492	L	86.9	Confident	86.1	Confident	38 Å²	38	64.3 Å²	64.3	20%	0.199	37%	0.365	C	S	.	.	S	Bend	trans	-107.6	-23.2	173.8	-72.6	178.4	0	0	0	112.4	I535 K536 I544 D547 M548	L492-I535 CarbonylContact O-C 3.51Å; L492-K536 HydrophobicContact CD2-CD 4.07Å; L492-K536 PolarHBondContact O-N 3.17Å; L492-I544 HydrophobicContact CB-CG2 4.19Å; L492-I544 WeakPolarHBondContact O-CG2 3.47Å; L492-D547 HydrophobicContact CD1-CB 3.7Å; L492-M548 HydrophobicContact CB-CG 3.63Å; L492-M548 HydrophobicContact CB-SD 3.91Å; L492-M548 HydrophobicContact CD1-CG 3.79Å; L492-M548 HydrophobicContact CG-CG 4.38Å
493	F	89.1	Confident	85.6	Confident	20 Å²	20	63.7 Å²	63.7	9%	0.088	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.7	175.7	171.3	-83.6	0	0	0	108.5	W495 I524 Q527 V528 R534 I535 M548	F493-W495 AromaticContact CE1-CD2 3.75Å; F493-W495 HydrophobicContact CE1-CD2 3.75Å; F493-W495 AromaticContact CE1-CE2 3.65Å; F493-W495 HydrophobicContact CE1-CE3 4.23Å; F493-W495 HydrophobicContact CE1-CG 4.04Å; F493-W495 HydrophobicContact CE1-CZ2 4.06Å; F493-W495 AromaticContact CE1-NE1 3.85Å; F493-W495 HydrophobicContact CZ-CD2 4.29Å; F493-W495 HydrophobicContact CZ-CE3 4.31Å; F493-W495 HydrophobicContact CZ-CZ3 4.45Å; F493-I524 HydrophobicContact CD2-CD1 4.47Å; F493-I524 HydrophobicContact CD2-CG2 4.11Å; F493-I524 HydrophobicContact CE2-CD1 4.35Å; F493-I524 HydrophobicContact CE2-CG2 4.22Å; F493-I524 HydrophobicContact CZ-CD1 4.48Å; F493-Q527 HydrophobicContact CE2-CB 4.32Å; F493-Q527 HydrophobicContact CZ-CB 4.03Å; F493-V528 HydrophobicContact CD2-CG2 4.37Å; F493-V528 HydrophobicContact CE2-CG2 3.94Å; F493-R534 CarbonylContact C-O 3.55Å; F493-R534 VanDerWaalsContact CA-O 3.31Å; F493-R534 WeakPolarHBondContact CA-O 3.49Å; F493-I535 HydrophobicContact CD2-CG2 3.94Å; F493-M548 HydrophobicContact CB-CE 3.67Å; F493-M548 HydrophobicContact CB-SD 3.52Å; F493-M548 VanDerWaalsContact CB-SD 3.52Å; F493-M548 HydrophobicContact CG-CE 4.16Å
494	V	88.6	Confident	85.2	Confident	22 Å²	22	63.2 Å²	63.2	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.1	168.5	-67.4	0	0	0	0	111.5	V487 P488 Y491 L496 G533 R534	V487-V494 HydrophobicContact CB-CG1 4.32Å; V487-V494 HydrophobicContact CG1-CG1 4.49Å; V487-V494 HydrophobicContact CG1-CG2 4.01Å; P488-V494 HydrophobicContact CG-CG1 4.12Å; Y491-V494 HydrophobicContact CD1-CG1 4.13Å; Y491-V494 HydrophobicContact CG-CG1 4.38Å; V494-L496 HydrophobicContact CG2-CD2 4.25Å; V494-G533 CarbonylContact O-C 3.53Å; V494-G533 VanDerWaalsContact O-CA 3.24Å; V494-G533 WeakPolarHBondContact O-CA 3.45Å; V494-R534 HydrophobicContact CG2-CB 4.15Å; V494-R534 PolarHBondContact N-O 3.23Å; V494-R534 PolarHBondContact O-N 2.77Å
495	W	87.2	Confident	84.8	Confident	54 Å²	54	64.3 Å²	64.3	21%	0.205	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	142.1	167.3	-60	95.3	0	0	0	110.3	F493 T499 P500 L503 F523 Q527	F493-W495 AromaticContact CE1-CD2 3.75Å; F493-W495 HydrophobicContact CE1-CD2 3.75Å; F493-W495 AromaticContact CE1-CE2 3.65Å; F493-W495 HydrophobicContact CE1-CE3 4.23Å; F493-W495 HydrophobicContact CE1-CG 4.04Å; F493-W495 HydrophobicContact CE1-CZ2 4.06Å; F493-W495 AromaticContact CE1-NE1 3.85Å; F493-W495 HydrophobicContact CZ-CD2 4.29Å; F493-W495 HydrophobicContact CZ-CE3 4.31Å; F493-W495 HydrophobicContact CZ-CZ3 4.45Å; W495-T499 HydrophobicContact CB-CG2 4.42Å; W495-T499 HydrophobicContact CD2-CG2 4.09Å; W495-T499 HydrophobicContact CG-CG2 3.77Å; W495-P500 HydrophobicContact CH2-CG 4.01Å; W495-P500 HydrophobicContact CZ3-CG 4.2Å; W495-L503 HydrophobicContact CH2-CD1 3.94Å; W495-L503 HydrophobicContact CZ2-CD1 3.65Å; W495-L503 HydrophobicContact CZ2-CD2 4.45Å; W495-F523 AromaticContact CH2-CE1 3.99Å; W495-F523 HydrophobicContact CH2-CE1 3.99Å; W495-F523 AromaticContact CH2-CZ 3.94Å; W495-F523 HydrophobicContact CH2-CZ 3.94Å; W495-F523 HydrophobicContact CZ2-CE1 4.44Å; W495-Q527 HydrophobicContact CH2-CG 3.8Å; W495-Q527 HydrophobicContact CZ3-CB 4.26Å; W495-Q527 HydrophobicContact CZ3-CG 3.77Å
496	L	86.7	Confident	84.4	Confident	88 Å²	88	64.2 Å²	64.2	46%	0.461	37%	0.369	S	S	.	.	S	Bend	trans	-107.3	-22	174.2	-55.6	-174.1	0	0	0	111.9	V494 K532 R534	V494-L496 HydrophobicContact CG2-CD2 4.25Å; L496-K532 PolarHBondContact N-O 3.13Å; L496-R534 HydrophobicContact CD1-CB 4.19Å; L496-R534 HydrophobicContact CD2-CB 4.24Å; L496-R534 VanDerWaalsContact CD2-NH1 3.31Å; L496-R534 HydrophobicContact CG-CB 4.36Å
497	E	85.3	Confident	84.3	Confident	126 Å²	126	64 Å²	64	59%	0.589	37%	0.367	S	S	*	.	S	Bend	trans	-111.7	-174.7	169.8	-60.2	-165.6	154.1	0	0	110.5
498	E	79.2	Confident	84.2	Confident	189 Å²	189	64.2 Å²	64.2	88%	0.883	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-64.7	139.3	174.2	-64.8	-173.4	162.9	0	0	111.4
499	T	79.9	Confident	84.2	Confident	70 Å²	70	66.7 Å²	66.7	43%	0.429	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.7	138.7	175.9	46.5	0	0	0	0	111.3	W495 A501 L567	W495-T499 HydrophobicContact CB-CG2 4.42Å; W495-T499 HydrophobicContact CD2-CG2 4.09Å; W495-T499 HydrophobicContact CG-CG2 3.77Å; T499-A501 PolarHBondContact O-N 3.4Å; T499-L567 HydrophobicContact CG2-CD1 4.1Å
500	P	80.6	Confident	84.4	Confident	35 Å²	35	66.3 Å²	66.3	23%	0.227	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-50.2	133.3	172.8	-28.1	34.9	0	0	0	112.6	W495 D502 L503 T506	W495-P500 HydrophobicContact CH2-CG 4.01Å; W495-P500 HydrophobicContact CZ3-CG 4.2Å; P500-D502 VanDerWaalsContact C-N 3.25Å; P500-D502 PolarHBondContact O-N 2.88Å; P500-L503 HydrophobicContact CB-CD1 4.45Å; P500-L503 HydrophobicContact CG-CD1 4.18Å; P500-T506 HydrophobicContact CB-CG2 4.31Å; P500-T506 WeakPolarHBondContact CB-OG1 3.33Å
501	A	76.5	Confident	84.8	Confident	117 Å²	117	69.4 Å²	69.4	97%	0.967	36%	0.363	S	S	*	.	S	Bend	trans	-64.9	-27.2	-173.6	0	0	0	0	0	113.9	T499	T499-A501 PolarHBondContact O-N 3.4Å
502	D	82.8	Confident	84.9	Confident	82 Å²	82	71 Å²	71	44%	0.439	38%	0.375	S	S	.	.	S	Bend	trans	-124.4	98.1	160.1	-165.6	-38.6	0	0	0	107.9	P500 F504 E505 T506	P500-D502 VanDerWaalsContact C-N 3.25Å; P500-D502 PolarHBondContact O-N 2.88Å; D502-F504 VanDerWaalsContact C-N 3.26Å; D502-F504 PolarHBondContact O-N 3.02Å; D502-F504 PolarHBondContact OD1-N 2.99Å; D502-E505 HydrophobicContact CB-CB 4.1Å; D502-E505 PolarHBondContact OD1-N 2.99Å; D502-T506 WeakPolarHBondContact O-CB 3.41Å; D502-T506 WeakPolarHBondContact O-CG2 3.18Å; D502-T506 PolarHBondContact O-N 2.91Å; D502-T506 PolarHBondContact O-OG1 2.93Å
503	L	84.6	Confident	84.8	Confident	23 Å²	23	70.7 Å²	70.7	12%	0.12	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-23	-179.7	-176.7	60.9	0	0	0	112.1	W495 P500 M507 F523 L565 L567	W495-L503 HydrophobicContact CH2-CD1 3.94Å; W495-L503 HydrophobicContact CZ2-CD1 3.65Å; W495-L503 HydrophobicContact CZ2-CD2 4.45Å; P500-L503 HydrophobicContact CB-CD1 4.45Å; P500-L503 HydrophobicContact CG-CD1 4.18Å; L503-M507 WeakPolarHBondContact O-CB 3.28Å; L503-M507 PolarHBondContact O-N 2.74Å; L503-F523 HydrophobicContact CD1-CE1 3.93Å; L503-F523 HydrophobicContact CD1-CZ 3.67Å; L503-L565 HydrophobicContact CB-CD2 4.38Å; L503-L565 HydrophobicContact CD2-CD2 4.33Å; L503-L565 HydrophobicContact CG-CD2 4.1Å; L503-L567 HydrophobicContact CD2-CD1 4.06Å; L503-L567 HydrophobicContact CD2-CD2 3.62Å; L503-L567 HydrophobicContact CD2-CG 3.87Å
504	F	86.2	Confident	84.8	Confident	26 Å²	26	74.6 Å²	74.6	11%	0.114	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-49.5	177.7	-167.7	-92.3	0	0	0	110.7	D502 T506 M507 D508 V515 I560 A562 L565	D502-F504 VanDerWaalsContact C-N 3.26Å; D502-F504 PolarHBondContact O-N 3.02Å; D502-F504 PolarHBondContact OD1-N 2.99Å; F504-T506 PolarHBondContact O-N 3.35Å; F504-M507 HydrophobicContact CD2-CE 4.18Å; F504-M507 HydrophobicContact CE2-CE 4.36Å; F504-M507 PolarHBondContact O-N 2.88Å; F504-D508 HydrophobicContact CD1-CB 4.38Å; F504-D508 HydrophobicContact CE1-CB 4.03Å; F504-D508 WeakPolarHBondContact O-CB 3.39Å; F504-D508 PolarHBondContact O-N 2.83Å; F504-V515 HydrophobicContact CE2-CG2 3.95Å; F504-V515 HydrophobicContact CZ-CG2 3.98Å; F504-I560 WeakPolarHBondContact CE2-O 3.18Å; F504-A562 HydrophobicContact CB-CB 4.42Å; F504-A562 HydrophobicContact CD1-CB 3.84Å; F504-A562 HydrophobicContact CD2-CB 3.92Å; F504-A562 HydrophobicContact CE1-CB 4.09Å; F504-A562 HydrophobicContact CE2-CB 4.17Å; F504-A562 HydrophobicContact CG-CB 3.76Å; F504-A562 HydrophobicContact CZ-CB 4.24Å; F504-L565 HydrophobicContact CB-CD2 4.02Å; F504-L565 HydrophobicContact CD2-CB 4.35Å; F504-L565 HydrophobicContact CD2-CD2 3.91Å; F504-L565 HydrophobicContact CG-CD2 4.48Å
505	E	84.5	Confident	84.9	Confident	104 Å²	104	73.5 Å²	73.5	49%	0.486	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19	179.6	-152.9	-155.4	177.7	0	0	113.5	D502 K511	D502-E505 HydrophobicContact CB-CB 4.1Å; D502-E505 PolarHBondContact OD1-N 2.99Å; E505-K511 VanDerWaalsContact CD-NZ 3.3Å; E505-K511 IonicContact OE1-NZ 2.72Å; E505-K511 PolarHBondContact OE1-NZ 3.39Å
506	T	84.7	Confident	85.1	Confident	68 Å²	68	72.8 Å²	72.8	42%	0.417	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.5	172	52	0	0	0	0	114	P500 D502 F504 F523	P500-T506 HydrophobicContact CB-CG2 4.31Å; P500-T506 WeakPolarHBondContact CB-OG1 3.33Å; D502-T506 WeakPolarHBondContact O-CB 3.41Å; D502-T506 WeakPolarHBondContact O-CG2 3.18Å; D502-T506 PolarHBondContact O-N 2.91Å; D502-T506 PolarHBondContact O-OG1 2.93Å; F504-T506 PolarHBondContact O-N 3.35Å; T506-F523 VanDerWaalsContact O-CD2 3.26Å; T506-F523 WeakPolarHBondContact O-CD2 3.39Å; T506-F523 VanDerWaalsContact O-CE2 3.24Å; T506-F523 WeakPolarHBondContact O-CE2 3.31Å
507	M	86.4	Confident	85.2	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.01	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-34.9	179.1	-171.4	178.4	77.4	0	0	111.6	L503 F504 M509 V515 E519 F520 F523 I560 L565	L503-M507 WeakPolarHBondContact O-CB 3.28Å; L503-M507 PolarHBondContact O-N 2.74Å; F504-M507 HydrophobicContact CD2-CE 4.18Å; F504-M507 HydrophobicContact CE2-CE 4.36Å; F504-M507 PolarHBondContact O-N 2.88Å; M507-M509 VanDerWaalsContact C-N 3.29Å; M507-M509 PolarHBondContact O-N 3.46Å; M507-V515 HydrophobicContact CE-CB 4.04Å; M507-V515 HydrophobicContact CE-CG1 4.02Å; M507-V515 HydrophobicContact CE-CG2 3.82Å; M507-V515 HydrophobicContact CG-CG1 3.99Å; M507-V515 HydrophobicContact CG-CG2 4.34Å; M507-E519 WeakPolarHBondContact O-CG 3.33Å; M507-F520 HydrophobicContact CE-CD2 4.31Å; M507-F520 HydrophobicContact CG-CD2 4.43Å; M507-F520 HydrophobicContact SD-CD2 3.51Å; M507-F520 VanDerWaalsContact SD-CD2 3.51Å; M507-F520 HydrophobicContact SD-CE2 3.82Å; M507-F523 HydrophobicContact CB-CD1 4.45Å; M507-F523 HydrophobicContact CB-CD2 4.19Å; M507-F523 HydrophobicContact CB-CE2 4.32Å; M507-F523 HydrophobicContact CB-CG 4.25Å; M507-F523 HydrophobicContact CG-CB 4.23Å; M507-F523 HydrophobicContact CG-CD1 4.02Å; M507-F523 HydrophobicContact CG-CD2 4.38Å; M507-F523 HydrophobicContact CG-CG 3.95Å; M507-F523 HydrophobicContact SD-CD1 4.47Å; M507-I560 HydrophobicContact CE-CG2 4.14Å; M507-L565 HydrophobicContact CE-CD1 4.16Å; M507-L565 HydrophobicContact CE-CD2 3.89Å
508	D	87.8	Confident	85.4	Confident	10 Å²	10	72 Å²	72	5%	0.053	40%	0.395	C	S	.	.			trans	-74	79.2	165.3	-179	5.4	0	0	0	109.8	F504 N510 K511 N512 G513 V515	F504-D508 HydrophobicContact CD1-CB 4.38Å; F504-D508 HydrophobicContact CE1-CB 4.03Å; F504-D508 WeakPolarHBondContact O-CB 3.39Å; F504-D508 PolarHBondContact O-N 2.83Å; D508-N510 VanDerWaalsContact C-N 3.26Å; D508-N510 PolarHBondContact O-N 2.73Å; D508-N510 PolarHBondContact OD1-ND2 2.82Å; D508-K511 WeakPolarHBondContact OD1-CA 3.14Å; D508-K511 PolarHBondContact OD1-N 2.93Å; D508-K511 WeakPolarHBondContact OD2-CA 3.25Å; D508-N512 PolarHBondContact OD1-N 2.77Å; D508-N512 PolarHBondContact OD1-OD1 2.8Å; D508-N512 VanDerWaalsContact OD1-OD1 3.07Å; D508-N512 PolarHBondContact OD2-N 3.46Å; D508-G513 WeakPolarHBondContact OD2-CA 3.27Å; D508-G513 PolarHBondContact OD2-N 3.11Å; D508-V515 HydrophobicContact CB-CG2 3.89Å
509	M	83.5	Confident	86	Confident	117 Å²	117	64.1 Å²	64.1	58%	0.576	36%	0.358	S	S	*	.	S	Bend	trans	-66.6	-29.7	-177.8	-56.6	176.5	59.7	0	0	111.9	M507 E519	M507-M509 VanDerWaalsContact C-N 3.29Å; M507-M509 PolarHBondContact O-N 3.46Å; M509-E519 WeakPolarHBondContact CA-OE1 3.44Å; M509-E519 HydrophobicContact CB-CG 4.18Å; M509-E519 WeakPolarHBondContact CB-OE1 3.11Å; M509-E519 HydrophobicContact CG-CG 3.98Å; M509-E519 PolarHBondContact N-OE1 3.11Å; M509-E519 HydrophobicContact SD-CG 4.14Å
510	N	86.9	Confident	86.5	Confident	91 Å²	91	61.1 Å²	61.1	49%	0.487	34%	0.339	S	S	.	.	S	Bend	trans	-92	-18.2	-175.8	84.9	94.7	0	0	0	114.2	D508 N512 E519	D508-N510 VanDerWaalsContact C-N 3.26Å; D508-N510 PolarHBondContact O-N 2.73Å; D508-N510 PolarHBondContact OD1-ND2 2.82Å; N510-N512 PolarHBondContact ND2-OD1 2.76Å; N510-N512 WeakPolarHBondContact OD1-CB 3.39Å; N510-N512 PolarHBondContact OD1-N 3.33Å; N510-N512 PolarHBondContact OD1-OD1 2.66Å; N510-E519 PolarHBondContact N-OE1 3.05Å; N510-E519 PolarHBondContact ND2-OE1 3.02Å; N510-E519 PolarHBondContact ND2-OE2 2.84Å
511	K	87.3	Confident	86.9	Confident	130 Å²	130	60.4 Å²	60.4	57%	0.565	33%	0.334	S	S	*	.			trans	67.1	43.7	177.8	-54.8	-159	172.4	-165.3	0	114.9	E505 D508	E505-K511 VanDerWaalsContact CD-NZ 3.3Å; E505-K511 IonicContact OE1-NZ 2.72Å; E505-K511 PolarHBondContact OE1-NZ 3.39Å; D508-K511 WeakPolarHBondContact OD1-CA 3.14Å; D508-K511 PolarHBondContact OD1-N 2.93Å; D508-K511 WeakPolarHBondContact OD2-CA 3.25Å
512	N	87.6	Confident	87.6	Confident	79 Å²	79	59.7 Å²	59.7	42%	0.422	31%	0.311	S	S	.	.	S	Bend	trans	-94.4	-19.7	172.9	63.7	-14.5	0	0	0	114.1	D508 N510 E514	D508-N512 PolarHBondContact OD1-N 2.77Å; D508-N512 PolarHBondContact OD1-OD1 2.8Å; D508-N512 VanDerWaalsContact OD1-OD1 3.07Å; D508-N512 PolarHBondContact OD2-N 3.46Å; N510-N512 PolarHBondContact ND2-OD1 2.76Å; N510-N512 WeakPolarHBondContact OD1-CB 3.39Å; N510-N512 PolarHBondContact OD1-N 3.33Å; N510-N512 PolarHBondContact OD1-OD1 2.66Å; N512-E514 PolarHBondContact ND2-O 2.98Å; N512-E514 PolarHBondContact OD1-N 3.33Å; N512-E514 PolarHBondContact OD1-O 3.43Å
513	G	86.1	Confident	88	Confident	32 Å²	32	56.1 Å²	56.1	33%	0.33	29%	0.292	S	S	.	.	S	Bend	trans	89.3	6	-171.8	0	0	0	0	0	115.6	D508	D508-G513 WeakPolarHBondContact OD2-CA 3.27Å; D508-G513 PolarHBondContact OD2-N 3.11Å
514	E	88.2	Confident	88.2	Confident	101 Å²	101	55.3 Å²	55.3	47%	0.472	29%	0.287	S	S	.	.			trans	-137.4	109	-176.2	-61.6	172.4	172.9	0	0	109.8	N512 P516 M559	N512-E514 PolarHBondContact ND2-O 2.98Å; N512-E514 PolarHBondContact OD1-N 3.33Å; N512-E514 PolarHBondContact OD1-O 3.43Å; E514-P516 WeakPolarHBondContact O-CD 3.35Å; E514-M559 HydrophobicContact CB-CB 4.41Å; E514-M559 HydrophobicContact CB-CG 4.3Å; E514-M559 HydrophobicContact CB-SD 4.4Å
515	V	90.6	Very high	88.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.7	-179.2	-179.7	0	0	0	0	110.7	F504 M507 D508 E519 F520 I560	F504-V515 HydrophobicContact CE2-CG2 3.95Å; F504-V515 HydrophobicContact CZ-CG2 3.98Å; M507-V515 HydrophobicContact CE-CB 4.04Å; M507-V515 HydrophobicContact CE-CG1 4.02Å; M507-V515 HydrophobicContact CE-CG2 3.82Å; M507-V515 HydrophobicContact CG-CG1 3.99Å; M507-V515 HydrophobicContact CG-CG2 4.34Å; D508-V515 HydrophobicContact CB-CG2 3.89Å; V515-E519 HydrophobicContact CG1-CB 4.09Å; V515-E519 HydrophobicContact CG1-CG 4.35Å; V515-F520 HydrophobicContact CG1-CB 4.02Å; V515-I560 HydrophobicContact CB-CB 4.4Å; V515-I560 PolarHBondContact N-O 3.22Å; V515-I560 PolarHBondContact O-N 3.08Å
516	P	91.9	Very high	88.7	Confident	39 Å²	39	56 Å²	56	25%	0.253	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	166.3	172	31.4	-36.8	0	0	0	112.2	E514 D518 E519 F520 M559	E514-P516 WeakPolarHBondContact O-CD 3.35Å; P516-D518 VanDerWaalsContact C-N 3.26Å; P516-D518 PolarHBondContact O-N 3.44Å; P516-E519 HydrophobicContact CG-CB 4Å; P516-E519 PolarHBondContact O-N 3.47Å; P516-E519 VanDerWaalsContact O-N 3.11Å; P516-F520 PolarHBondContact O-N 2.74Å; P516-M559 HydrophobicContact CB-CE 4.44Å; P516-M559 HydrophobicContact CB-SD 3.72Å
517	L	89.6	Confident	89	Confident	68 Å²	68	53.4 Å²	53.4	36%	0.356	28%	0.275	S	S	.	.	H	α-helix	trans	-51.6	-40.1	177.7	177.5	63	0	0	0	113.6	E519 T521 V545 F549	L517-E519 PolarHBondContact O-N 2.91Å; L517-T521 VanDerWaalsContact O-CB 3.25Å; L517-T521 WeakPolarHBondContact O-CB 3.44Å; L517-T521 PolarHBondContact O-N 2.75Å; L517-T521 PolarHBondContact O-OG1 3.32Å; L517-V545 HydrophobicContact CD1-CG1 4.22Å; L517-F549 HydrophobicContact CB-CD1 4.48Å; L517-F549 HydrophobicContact CB-CD2 4.17Å; L517-F549 HydrophobicContact CB-CE1 4.46Å; L517-F549 HydrophobicContact CB-CE2 4.14Å; L517-F549 HydrophobicContact CB-CG 4.35Å; L517-F549 HydrophobicContact CB-CZ 4.3Å; L517-F549 HydrophobicContact CD1-CB 3.65Å; L517-F549 HydrophobicContact CD1-CD1 4.28Å; L517-F549 HydrophobicContact CD1-CD2 3.91Å; L517-F549 HydrophobicContact CD1-CG 3.67Å; L517-F549 VanDerWaalsContact N-CE2 3.33Å
518	D	89.5	Confident	89.1	Confident	130 Å²	130	55.4 Å²	55.4	70%	0.695	29%	0.287	S	S	*	.	H	α-helix	trans	-64.3	-40.7	-179.4	-68.8	-25.2	0	0	0	112.2	P516 T521 E522	P516-D518 VanDerWaalsContact C-N 3.26Å; P516-D518 PolarHBondContact O-N 3.44Å; D518-T521 WeakPolarHBondContact O-CB 3.33Å; D518-T521 PolarHBondContact O-N 3.45Å; D518-E522 PolarHBondContact O-N 3.12Å
519	E	90.1	Very high	89.2	Confident	22 Å²	22	59.1 Å²	59.1	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-73.7	-42.1	-179.7	-168.4	174.8	-129.2	0	0	110.8	M507 M509 N510 V515 P516 L517 T521 E522 F523	M507-E519 WeakPolarHBondContact O-CG 3.33Å; M509-E519 WeakPolarHBondContact CA-OE1 3.44Å; M509-E519 HydrophobicContact CB-CG 4.18Å; M509-E519 WeakPolarHBondContact CB-OE1 3.11Å; M509-E519 HydrophobicContact CG-CG 3.98Å; M509-E519 PolarHBondContact N-OE1 3.11Å; M509-E519 HydrophobicContact SD-CG 4.14Å; N510-E519 PolarHBondContact N-OE1 3.05Å; N510-E519 PolarHBondContact ND2-OE1 3.02Å; N510-E519 PolarHBondContact ND2-OE2 2.84Å; V515-E519 HydrophobicContact CG1-CB 4.09Å; V515-E519 HydrophobicContact CG1-CG 4.35Å; P516-E519 HydrophobicContact CG-CB 4Å; P516-E519 PolarHBondContact O-N 3.47Å; P516-E519 VanDerWaalsContact O-N 3.11Å; L517-E519 PolarHBondContact O-N 2.91Å; E519-T521 PolarHBondContact O-N 2.96Å; E519-E522 PolarHBondContact O-N 3.38Å; E519-F523 WeakPolarHBondContact O-CB 3.49Å; E519-F523 PolarHBondContact O-N 3.32Å
520	F	90.5	Very high	89.5	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-37.9	169	-172.3	-103.3	0	0	0	112.1	M507 V515 P516 I524 V545 M548 F549 I560	M507-F520 HydrophobicContact CE-CD2 4.31Å; M507-F520 HydrophobicContact CG-CD2 4.43Å; M507-F520 HydrophobicContact SD-CD2 3.51Å; M507-F520 VanDerWaalsContact SD-CD2 3.51Å; M507-F520 HydrophobicContact SD-CE2 3.82Å; V515-F520 HydrophobicContact CG1-CB 4.02Å; P516-F520 PolarHBondContact O-N 2.74Å; F520-I524 HydrophobicContact CE1-CG1 4.22Å; F520-I524 HydrophobicContact CZ-CG1 4.25Å; F520-I524 WeakPolarHBondContact O-CG1 3.31Å; F520-I524 PolarHBondContact O-N 2.88Å; F520-V545 HydrophobicContact CD1-CG1 3.72Å; F520-V545 HydrophobicContact CE1-CG1 4.12Å; F520-M548 HydrophobicContact CE1-CB 3.8Å; F520-M548 HydrophobicContact CE1-CE 4.39Å; F520-M548 HydrophobicContact CZ-CB 3.96Å; F520-M548 HydrophobicContact CZ-CE 4Å; F520-F549 HydrophobicContact CB-CD2 3.82Å; F520-F549 HydrophobicContact CB-CE2 4.19Å; F520-F549 HydrophobicContact CD1-CB 3.98Å; F520-F549 AromaticContact CD1-CD2 3.8Å; F520-F549 HydrophobicContact CD1-CD2 3.8Å; F520-F549 HydrophobicContact CD1-CG 4.41Å; F520-F549 HydrophobicContact CE1-CB 4.09Å; F520-F549 AromaticContact CG-CD2 3.81Å; F520-F549 HydrophobicContact CG-CD2 3.81Å; F520-I560 HydrophobicContact CD2-CD1 3.75Å; F520-I560 HydrophobicContact CE2-CD1 3.95Å; F520-I560 HydrophobicContact CG-CD1 4.23Å
521	T	90.3	Very high	89.4	Confident	19 Å²	19	56 Å²	56	12%	0.117	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-50.7	178.6	-61.5	0	0	0	0	112.1	L517 D518 E519 F523 I524 K525 V545	L517-T521 VanDerWaalsContact O-CB 3.25Å; L517-T521 WeakPolarHBondContact O-CB 3.44Å; L517-T521 PolarHBondContact O-N 2.75Å; L517-T521 PolarHBondContact O-OG1 3.32Å; D518-T521 WeakPolarHBondContact O-CB 3.33Å; D518-T521 PolarHBondContact O-N 3.45Å; E519-T521 PolarHBondContact O-N 2.96Å; T521-F523 VanDerWaalsContact C-N 3.33Å; T521-F523 PolarHBondContact O-N 3.5Å; T521-I524 PolarHBondContact O-N 2.82Å; T521-K525 HydrophobicContact CG2-CD 4.03Å; T521-K525 WeakPolarHBondContact O-CB 3.2Å; T521-K525 VanDerWaalsContact O-CG 3.31Å; T521-K525 WeakPolarHBondContact O-CG 3.24Å; T521-K525 PolarHBondContact O-N 3.18Å; T521-V545 HydrophobicContact CG2-CG1 4.26Å; T521-V545 VanDerWaalsContact OG1-CG1 3.27Å; T521-V545 WeakPolarHBondContact OG1-CG1 3.44Å
522	E	90.1	Very high	89.5	Confident	102 Å²	102	53.1 Å²	53.1	48%	0.477	30%	0.3	S	S	.	.	H	α-helix	trans	-68.3	-33.5	179.7	-65.4	-55.5	118.9	0	0	111.8	D518 E519 K525 L526	D518-E522 PolarHBondContact O-N 3.12Å; E519-E522 PolarHBondContact O-N 3.38Å; E522-K525 VanDerWaalsContact OE1-CD 3.3Å; E522-K525 WeakPolarHBondContact OE1-CD 3Å; E522-K525 IonicContact OE1-NZ 3.48Å; E522-K525 PolarHBondContact OE1-NZ 3.07Å; E522-L526 WeakPolarHBondContact O-CB 3.19Å; E522-L526 PolarHBondContact O-N 3.42Å
523	F	90.8	Very high	89.5	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-53.3	171.2	179.7	-96.8	0	0	0	112.2	W495 L503 T506 M507 E519 T521 K525 L526 Q527	W495-F523 AromaticContact CH2-CE1 3.99Å; W495-F523 HydrophobicContact CH2-CE1 3.99Å; W495-F523 AromaticContact CH2-CZ 3.94Å; W495-F523 HydrophobicContact CH2-CZ 3.94Å; W495-F523 HydrophobicContact CZ2-CE1 4.44Å; L503-F523 HydrophobicContact CD1-CE1 3.93Å; L503-F523 HydrophobicContact CD1-CZ 3.67Å; T506-F523 VanDerWaalsContact O-CD2 3.26Å; T506-F523 WeakPolarHBondContact O-CD2 3.39Å; T506-F523 VanDerWaalsContact O-CE2 3.24Å; T506-F523 WeakPolarHBondContact O-CE2 3.31Å; M507-F523 HydrophobicContact CB-CD1 4.45Å; M507-F523 HydrophobicContact CB-CD2 4.19Å; M507-F523 HydrophobicContact CB-CE2 4.32Å; M507-F523 HydrophobicContact CB-CG 4.25Å; M507-F523 HydrophobicContact CG-CB 4.23Å; M507-F523 HydrophobicContact CG-CD1 4.02Å; M507-F523 HydrophobicContact CG-CD2 4.38Å; M507-F523 HydrophobicContact CG-CG 3.95Å; M507-F523 HydrophobicContact SD-CD1 4.47Å; E519-F523 WeakPolarHBondContact O-CB 3.49Å; E519-F523 PolarHBondContact O-N 3.32Å; T521-F523 VanDerWaalsContact C-N 3.33Å; T521-F523 PolarHBondContact O-N 3.5Å; F523-K525 PolarHBondContact O-N 3.42Å; F523-L526 WeakPolarHBondContact O-CB 3.37Å; F523-L526 PolarHBondContact O-N 2.78Å; F523-Q527 HydrophobicContact CD1-CG 4.29Å; F523-Q527 HydrophobicContact CE1-CG 3.89Å; F523-Q527 HydrophobicContact CE2-CG 4.44Å; F523-Q527 VanDerWaalsContact CE2-NE2 3.32Å; F523-Q527 HydrophobicContact CZ-CG 3.98Å; F523-Q527 WeakPolarHBondContact O-CG 3.4Å; F523-Q527 PolarHBondContact O-N 3.22Å
524	I	90.4	Very high	89.7	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-39.4	-179.4	-65.6	-63.1	0	0	0	111.5	F493 F520 T521 L526 Q527 V528 I535 M541 V545 M548	F493-I524 HydrophobicContact CD2-CD1 4.47Å; F493-I524 HydrophobicContact CD2-CG2 4.11Å; F493-I524 HydrophobicContact CE2-CD1 4.35Å; F493-I524 HydrophobicContact CE2-CG2 4.22Å; F493-I524 HydrophobicContact CZ-CD1 4.48Å; F520-I524 HydrophobicContact CE1-CG1 4.22Å; F520-I524 HydrophobicContact CZ-CG1 4.25Å; F520-I524 WeakPolarHBondContact O-CG1 3.31Å; F520-I524 PolarHBondContact O-N 2.88Å; T521-I524 PolarHBondContact O-N 2.82Å; I524-L526 VanDerWaalsContact C-N 3.31Å; I524-L526 PolarHBondContact O-N 2.86Å; I524-Q527 PolarHBondContact O-N 3.25Å; I524-V528 WeakPolarHBondContact O-CG2 3.14Å; I524-V528 PolarHBondContact O-N 3.02Å; I524-V528 VanDerWaalsContact O-N 3.11Å; I524-I535 HydrophobicContact CG2-CG2 4.31Å; I524-M541 HydrophobicContact CG2-SD 4.15Å; I524-V545 HydrophobicContact CB-CG2 4.02Å; I524-V545 HydrophobicContact CG2-CG2 3.79Å; I524-M548 HydrophobicContact CD1-CE 3.72Å; I524-M548 HydrophobicContact CG1-CE 4.1Å
525	K	90.4	Very high	89.8	Confident	64 Å²	64	48.4 Å²	48.4	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-43.7	172.3	-76.3	171.6	-175.4	168	0	111.8	T521 E522 F523 V528 A529 M541	T521-K525 HydrophobicContact CG2-CD 4.03Å; T521-K525 WeakPolarHBondContact O-CB 3.2Å; T521-K525 VanDerWaalsContact O-CG 3.31Å; T521-K525 WeakPolarHBondContact O-CG 3.24Å; T521-K525 PolarHBondContact O-N 3.18Å; E522-K525 VanDerWaalsContact OE1-CD 3.3Å; E522-K525 WeakPolarHBondContact OE1-CD 3Å; E522-K525 IonicContact OE1-NZ 3.48Å; E522-K525 PolarHBondContact OE1-NZ 3.07Å; F523-K525 PolarHBondContact O-N 3.42Å; K525-V528 PolarHBondContact O-N 3Å; K525-A529 VanDerWaalsContact O-CB 3.29Å; K525-A529 WeakPolarHBondContact O-CB 3.44Å; K525-A529 PolarHBondContact O-N 3.01Å; K525-M541 HydrophobicContact CG-CE 4.33Å; K525-M541 HydrophobicContact CG-CG 3.91Å; K525-M541 HydrophobicContact CG-SD 4.26Å
526	L	90.1	Very high	89.7	Confident	80 Å²	80	50.9 Å²	50.9	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-46.7	177.8	-176.3	64.4	0	0	0	111.5	E522 F523 I524 V528 A529 E530	E522-L526 WeakPolarHBondContact O-CB 3.19Å; E522-L526 PolarHBondContact O-N 3.42Å; F523-L526 WeakPolarHBondContact O-CB 3.37Å; F523-L526 PolarHBondContact O-N 2.78Å; I524-L526 VanDerWaalsContact C-N 3.31Å; I524-L526 PolarHBondContact O-N 2.86Å; L526-V528 VanDerWaalsContact C-N 3.28Å; L526-V528 PolarHBondContact O-N 3.06Å; L526-A529 PolarHBondContact O-N 3.32Å; L526-E530 HydrophobicContact CD1-CG 3.99Å; L526-E530 HydrophobicContact CG-CG 4.34Å; L526-E530 WeakPolarHBondContact O-CB 3.43Å; L526-E530 WeakPolarHBondContact O-CG 3.33Å; L526-E530 PolarHBondContact O-N 2.95Å
527	Q	91	Very high	89.4	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.065	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-34.7	178.8	-57.8	-48.1	-41.4	0	0	112.9	F493 W495 F523 I524 G531 K532 G533	F493-Q527 HydrophobicContact CE2-CB 4.32Å; F493-Q527 HydrophobicContact CZ-CB 4.03Å; W495-Q527 HydrophobicContact CH2-CG 3.8Å; W495-Q527 HydrophobicContact CZ3-CB 4.26Å; W495-Q527 HydrophobicContact CZ3-CG 3.77Å; F523-Q527 HydrophobicContact CD1-CG 4.29Å; F523-Q527 HydrophobicContact CE1-CG 3.89Å; F523-Q527 HydrophobicContact CE2-CG 4.44Å; F523-Q527 VanDerWaalsContact CE2-NE2 3.32Å; F523-Q527 HydrophobicContact CZ-CG 3.98Å; F523-Q527 WeakPolarHBondContact O-CG 3.4Å; F523-Q527 PolarHBondContact O-N 3.22Å; I524-Q527 PolarHBondContact O-N 3.25Å; Q527-G531 PolarHBondContact O-N 3.03Å; Q527-K532 PolarHBondContact O-N 2.98Å; Q527-G533 PolarHBondContact O-N 2.98Å
528	V	89.4	Confident	89	Confident	43 Å²	43	49 Å²	49	26%	0.261	28%	0.277	S	S	.	.	H	α-helix	trans	-74.3	-41.4	174.7	178	0	0	0	0	111.5	F493 I524 K525 L526 E530 G531 I535 M541	F493-V528 HydrophobicContact CD2-CG2 4.37Å; F493-V528 HydrophobicContact CE2-CG2 3.94Å; I524-V528 WeakPolarHBondContact O-CG2 3.14Å; I524-V528 PolarHBondContact O-N 3.02Å; I524-V528 VanDerWaalsContact O-N 3.11Å; K525-V528 PolarHBondContact O-N 3Å; L526-V528 VanDerWaalsContact C-N 3.28Å; L526-V528 PolarHBondContact O-N 3.06Å; V528-E530 VanDerWaalsContact C-N 3.34Å; V528-E530 PolarHBondContact O-N 2.61Å; V528-G531 PolarHBondContact O-N 2.88Å; V528-G531 VanDerWaalsContact O-N 3.09Å; V528-I535 HydrophobicContact CG2-CG1 4.5Å; V528-I535 HydrophobicContact CG2-CG2 3.98Å; V528-M541 HydrophobicContact CB-CE 4.11Å; V528-M541 HydrophobicContact CG1-CE 4.18Å; V528-M541 HydrophobicContact CG2-CE 4.1Å
529	A	88.9	Confident	88.8	Confident	88 Å²	88	45.4 Å²	45.4	73%	0.727	26%	0.257	S	S	*	.	H	α-helix	trans	-66.7	-32.9	178.8	0	0	0	0	0	113.1	K525 L526 G531	K525-A529 VanDerWaalsContact O-CB 3.29Å; K525-A529 WeakPolarHBondContact O-CB 3.44Å; K525-A529 PolarHBondContact O-N 3.01Å; L526-A529 PolarHBondContact O-N 3.32Å; A529-G531 VanDerWaalsContact C-N 3.26Å
530	E	89.6	Confident	88.7	Confident	101 Å²	101	47.7 Å²	47.7	47%	0.472	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.9	172.9	-67.1	-171.5	156.7	0	0	113.2	L526 V528 K532	L526-E530 HydrophobicContact CD1-CG 3.99Å; L526-E530 HydrophobicContact CG-CG 4.34Å; L526-E530 WeakPolarHBondContact O-CB 3.43Å; L526-E530 WeakPolarHBondContact O-CG 3.33Å; L526-E530 PolarHBondContact O-N 2.95Å; V528-E530 VanDerWaalsContact C-N 3.34Å; V528-E530 PolarHBondContact O-N 2.61Å; E530-K532 HydrophobicContact CB-CD 4.16Å; E530-K532 HydrophobicContact CB-CG 4.14Å; E530-K532 PolarHBondContact O-N 3.21Å; E530-K532 WeakPolarHBondContact OE2-CD 3.44Å; E530-K532 VanDerWaalsContact OE2-CE 3.29Å; E530-K532 WeakPolarHBondContact OE2-CE 3.39Å; E530-K532 IonicContact OE2-NZ 2.63Å; E530-K532 PolarHBondContact OE2-NZ 2.88Å
531	G	85.9	Confident	88.5	Confident	43 Å²	43	49 Å²	49	44%	0.443	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	4.9	-179.3	0	0	0	0	0	115	Q527 V528 A529 G533	Q527-G531 PolarHBondContact O-N 3.03Å; V528-G531 PolarHBondContact O-N 2.88Å; V528-G531 VanDerWaalsContact O-N 3.09Å; A529-G531 VanDerWaalsContact C-N 3.26Å; G531-G533 VanDerWaalsContact C-N 3.32Å
532	K	88.1	Confident	88.4	Confident	69 Å²	69	53.3 Å²	53.3	30%	0.3	30%	0.298	S	S	.	.	S	Bend	trans	-76.4	-18.8	-179.4	-64.7	177.5	176.1	163.5	0	113.6	L496 Q527 E530	L496-K532 PolarHBondContact N-O 3.13Å; Q527-K532 PolarHBondContact O-N 2.98Å; E530-K532 HydrophobicContact CB-CD 4.16Å; E530-K532 HydrophobicContact CB-CG 4.14Å; E530-K532 PolarHBondContact O-N 3.21Å; E530-K532 WeakPolarHBondContact OE2-CD 3.44Å; E530-K532 VanDerWaalsContact OE2-CE 3.29Å; E530-K532 WeakPolarHBondContact OE2-CE 3.39Å; E530-K532 IonicContact OE2-NZ 2.63Å; E530-K532 PolarHBondContact OE2-NZ 2.88Å
533	G	87.9	Confident	88.4	Confident	4 Å²	4	53.4 Å²	53.4	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.7	-178.9	0	0	0	0	0	113.5	V494 Q527 G531	V494-G533 CarbonylContact O-C 3.53Å; V494-G533 VanDerWaalsContact O-CA 3.24Å; V494-G533 WeakPolarHBondContact O-CA 3.45Å; Q527-G533 PolarHBondContact O-N 2.98Å; G531-G533 VanDerWaalsContact C-N 3.32Å
534	R	89.9	Confident	88.4	Confident	77 Å²	77	53 Å²	53	29%	0.291	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.4	176.8	-175.7	165.4	72.9	-121.6	1.2	110.6	R485 G486 F493 V494 L496	R485-R534 WeakPolarHBondContact O-CD 3.3Å; R485-R534 PolarHBondContact O-NE 3.43Å; R485-R534 VanDerWaalsContact O-NE 3.08Å; G486-R534 VanDerWaalsContact O-CZ 3.24Å; G486-R534 PolarHBondContact O-NE 3.13Å; G486-R534 PolarHBondContact O-NH2 3.23Å; F493-R534 CarbonylContact C-O 3.55Å; F493-R534 VanDerWaalsContact CA-O 3.31Å; F493-R534 WeakPolarHBondContact CA-O 3.49Å; V494-R534 HydrophobicContact CG2-CB 4.15Å; V494-R534 PolarHBondContact N-O 3.23Å; V494-R534 PolarHBondContact O-N 2.77Å; L496-R534 HydrophobicContact CD1-CB 4.19Å; L496-R534 HydrophobicContact CD2-CB 4.24Å; L496-R534 VanDerWaalsContact CD2-NH1 3.31Å; L496-R534 HydrophobicContact CG-CB 4.36Å
535	I	91	Very high	88.4	Confident	32 Å²	32	52.7 Å²	52.7	16%	0.164	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	159.3	170.1	49.5	161.3	0	0	0	111.8	L492 F493 I524 V528 M541 I544	L492-I535 CarbonylContact O-C 3.51Å; F493-I535 HydrophobicContact CD2-CG2 3.94Å; I524-I535 HydrophobicContact CG2-CG2 4.31Å; V528-I535 HydrophobicContact CG2-CG1 4.5Å; V528-I535 HydrophobicContact CG2-CG2 3.98Å; I535-M541 HydrophobicContact CD1-CE 3.82Å; I535-M541 HydrophobicContact CD1-SD 4.14Å; I535-M541 HydrophobicContact CG1-CE 4.49Å; I535-M541 HydrophobicContact CG2-CE 4.45Å; I535-M541 HydrophobicContact CG2-SD 4Å; I535-I544 HydrophobicContact CB-CD1 3.79Å; I535-I544 HydrophobicContact CB-CG2 4.22Å; I535-I544 HydrophobicContact CD1-CD1 3.86Å; I535-I544 HydrophobicContact CG1-CD1 4.31Å; I535-I544 HydrophobicContact CG2-CD1 4.42Å; I535-I544 HydrophobicContact CG2-CG2 3.93Å
536	K	88.5	Confident	88.4	Confident	51 Å²	51	51 Å²	51	22%	0.222	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-61.6	120.2	172.8	-177.3	176.5	178.4	-172	0	110.5	V487 L492 M539 I544	V487-K536 HydrophobicContact CG2-CB 3.68Å; V487-K536 HydrophobicContact CG2-CD 4.43Å; V487-K536 HydrophobicContact CG2-CG 3.83Å; L492-K536 HydrophobicContact CD2-CD 4.07Å; L492-K536 PolarHBondContact O-N 3.17Å; K536-M539 HydrophobicContact CD-SD 4.09Å; K536-I544 HydrophobicContact CB-CD1 4.42Å; K536-I544 WeakPolarHBondContact O-CD1 3.46Å
537	P	86.2	Confident	88.5	Confident	11 Å²	11	50.3 Å²	50.3	7%	0.071	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	152.8	178.8	31.1	-36.3	0	0	0	111.4	L399 E484	L399-P537 HydrophobicContact CB-CB 3.64Å; L399-P537 HydrophobicContact CB-CG 3.79Å; L399-P537 HydrophobicContact CD2-CB 3.94Å; L399-P537 HydrophobicContact CG-CB 4.44Å; E484-P537 HydrophobicContact CB-CB 4Å
538	G	81.2	Confident	88.4	Confident	56 Å²	56	50.9 Å²	50.9	58%	0.577	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	7.8	179.2	0	0	0	0	0	115.8
539	M	84.6	Confident	88.5	Confident	56 Å²	56	49.4 Å²	49.4	28%	0.276	28%	0.283	S	S	.	.	S	Bend	trans	-129	157	169.4	-70	168	63.3	0	0	109	K536 Q543 I544 D547	K536-M539 HydrophobicContact CD-SD 4.09Å; M539-Q543 HydrophobicContact CE-CB 4.31Å; M539-I544 HydrophobicContact CB-CD1 3.77Å; M539-I544 HydrophobicContact CB-CG1 3.53Å; M539-I544 HydrophobicContact CE-CG1 4.05Å; M539-I544 HydrophobicContact SD-CG1 4.41Å; M539-D547 WeakPolarHBondContact CE-OD2 3.43Å
540	T	87.4	Confident	88.5	Confident	69 Å²	69	51.4 Å²	51.4	42%	0.423	28%	0.277	S	S	.	.			trans	-74.2	154.6	174.7	70.6	0	0	0	0	111.1	E542 Q543 I544	T540-E542 PolarHBondContact O-N 3.42Å; T540-Q543 PolarHBondContact O-N 2.02Å; T540-Q543 VanDerWaalsContact OG1-CG 3.28Å; T540-Q543 WeakPolarHBondContact OG1-CG 3.04Å; T540-Q543 PolarHBondContact OG1-N 3.47Å; T540-Q543 PolarHBondContact OG1-OE1 2.87Å; T540-I544 VanDerWaalsContact O-CG1 3.28Å; T540-I544 WeakPolarHBondContact O-CG1 3.46Å; T540-I544 PolarHBondContact O-N 3.33Å
541	M	87.3	Confident	88.4	Confident	35 Å²	35	51.8 Å²	51.8	17%	0.172	28%	0.282	C	S	.	.	H	α-helix	trans	-52.9	-45.6	175.7	-179.3	68.4	76.2	0	0	110.6	I524 K525 V528 I535 Q543 I544 V545	I524-M541 HydrophobicContact CG2-SD 4.15Å; K525-M541 HydrophobicContact CG-CE 4.33Å; K525-M541 HydrophobicContact CG-CG 3.91Å; K525-M541 HydrophobicContact CG-SD 4.26Å; V528-M541 HydrophobicContact CB-CE 4.11Å; V528-M541 HydrophobicContact CG1-CE 4.18Å; V528-M541 HydrophobicContact CG2-CE 4.1Å; I535-M541 HydrophobicContact CD1-CE 3.82Å; I535-M541 HydrophobicContact CD1-SD 4.14Å; I535-M541 HydrophobicContact CG1-CE 4.49Å; I535-M541 HydrophobicContact CG2-CE 4.45Å; I535-M541 HydrophobicContact CG2-SD 4Å; M541-Q543 PolarHBondContact O-N 3.09Å; M541-I544 PolarHBondContact O-N 3.18Å; M541-V545 HydrophobicContact CG-CG2 4.17Å; M541-V545 VanDerWaalsContact O-CB 3.27Å; M541-V545 WeakPolarHBondContact O-CB 3.24Å; M541-V545 WeakPolarHBondContact O-CG2 3.32Å; M541-V545 PolarHBondContact O-N 3.43Å; M541-V545 HydrophobicContact SD-CG2 3.93Å
542	E	88.6	Confident	88.4	Confident	111 Å²	111	51.2 Å²	51.2	52%	0.519	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-38.8	-177.9	-64.8	64.9	-143	0	0	112.1	T540 A546	T540-E542 PolarHBondContact O-N 3.42Å; E542-A546 WeakPolarHBondContact O-CB 3.14Å; E542-A546 PolarHBondContact O-N 2.88Å
543	Q	90.1	Very high	88.5	Confident	103 Å²	103	48.7 Å²	48.7	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-67.7	-48.4	174.6	-73.7	168.2	-32.9	0	0	111.4	M539 T540 M541 V545 A546 D547	M539-Q543 HydrophobicContact CE-CB 4.31Å; T540-Q543 PolarHBondContact O-N 2.02Å; T540-Q543 VanDerWaalsContact OG1-CG 3.28Å; T540-Q543 WeakPolarHBondContact OG1-CG 3.04Å; T540-Q543 PolarHBondContact OG1-N 3.47Å; T540-Q543 PolarHBondContact OG1-OE1 2.87Å; M541-Q543 PolarHBondContact O-N 3.09Å; Q543-V545 VanDerWaalsContact C-N 3.33Å; Q543-V545 PolarHBondContact O-N 3.17Å; Q543-A546 PolarHBondContact O-N 2.75Å; Q543-D547 WeakPolarHBondContact O-CB 3.06Å; Q543-D547 PolarHBondContact O-N 2.74Å
544	I	90.3	Very high	88.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-44.5	-178	-65.4	169.1	0	0	0	110.7	L492 I535 K536 M539 T540 M541 M548	L492-I544 HydrophobicContact CB-CG2 4.19Å; L492-I544 WeakPolarHBondContact O-CG2 3.47Å; I535-I544 HydrophobicContact CB-CD1 3.79Å; I535-I544 HydrophobicContact CB-CG2 4.22Å; I535-I544 HydrophobicContact CD1-CD1 3.86Å; I535-I544 HydrophobicContact CG1-CD1 4.31Å; I535-I544 HydrophobicContact CG2-CD1 4.42Å; I535-I544 HydrophobicContact CG2-CG2 3.93Å; K536-I544 HydrophobicContact CB-CD1 4.42Å; K536-I544 WeakPolarHBondContact O-CD1 3.46Å; M539-I544 HydrophobicContact CB-CD1 3.77Å; M539-I544 HydrophobicContact CB-CG1 3.53Å; M539-I544 HydrophobicContact CE-CG1 4.05Å; M539-I544 HydrophobicContact SD-CG1 4.41Å; T540-I544 VanDerWaalsContact O-CG1 3.28Å; T540-I544 WeakPolarHBondContact O-CG1 3.46Å; T540-I544 PolarHBondContact O-N 3.33Å; M541-I544 PolarHBondContact O-N 3.18Å; I544-M548 HydrophobicContact CG2-SD 3.8Å; I544-M548 VanDerWaalsContact O-CB 3.3Å; I544-M548 WeakPolarHBondContact O-CB 3.43Å; I544-M548 WeakPolarHBondContact O-CG 3.29Å; I544-M548 PolarHBondContact O-N 2.82Å
545	V	91.3	Very high	88.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-42.9	178.3	170.5	0	0	0	0	111.1	L517 F520 T521 I524 M541 Q543 M548 F549	L517-V545 HydrophobicContact CD1-CG1 4.22Å; F520-V545 HydrophobicContact CD1-CG1 3.72Å; F520-V545 HydrophobicContact CE1-CG1 4.12Å; T521-V545 HydrophobicContact CG2-CG1 4.26Å; T521-V545 VanDerWaalsContact OG1-CG1 3.27Å; T521-V545 WeakPolarHBondContact OG1-CG1 3.44Å; I524-V545 HydrophobicContact CB-CG2 4.02Å; I524-V545 HydrophobicContact CG2-CG2 3.79Å; M541-V545 HydrophobicContact CG-CG2 4.17Å; M541-V545 VanDerWaalsContact O-CB 3.27Å; M541-V545 WeakPolarHBondContact O-CB 3.24Å; M541-V545 WeakPolarHBondContact O-CG2 3.32Å; M541-V545 PolarHBondContact O-N 3.43Å; M541-V545 HydrophobicContact SD-CG2 3.93Å; Q543-V545 VanDerWaalsContact C-N 3.33Å; Q543-V545 PolarHBondContact O-N 3.17Å; V545-M548 PolarHBondContact O-N 3.17Å; V545-F549 VanDerWaalsContact O-CB 3.3Å; V545-F549 WeakPolarHBondContact O-CB 3.12Å; V545-F549 PolarHBondContact O-N 2.95Å
546	A	90.3	Very high	88.1	Confident	28 Å²	28	61.3 Å²	61.3	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-38.7	176.4	0	0	0	0	0	112.8	E542 Q543 Q550	E542-A546 WeakPolarHBondContact O-CB 3.14Å; E542-A546 PolarHBondContact O-N 2.88Å; Q543-A546 PolarHBondContact O-N 2.75Å; A546-Q550 WeakPolarHBondContact O-CB 3.24Å; A546-Q550 VanDerWaalsContact O-CG 3.32Å; A546-Q550 WeakPolarHBondContact O-CG 3.26Å; A546-Q550 PolarHBondContact O-N 3.3Å; A546-Q550 PolarHBondContact O-NE2 2.7Å; A546-Q550 VanDerWaalsContact O-NE2 3.14Å
547	D	90.4	Very high	88.1	Confident	65 Å²	65	63.4 Å²	63.4	35%	0.348	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-44.6	173.3	-76.2	-9	0	0	0	110.6	L492 M539 Q543 F549 Q550 N551	L492-D547 HydrophobicContact CD1-CB 3.7Å; M539-D547 WeakPolarHBondContact CE-OD2 3.43Å; Q543-D547 WeakPolarHBondContact O-CB 3.06Å; Q543-D547 PolarHBondContact O-N 2.74Å; D547-F549 PolarHBondContact O-N 2.94Å; D547-Q550 PolarHBondContact O-N 2.94Å; D547-N551 PolarHBondContact O-N 3Å; D547-N551 PolarHBondContact O-ND2 3.02Å
548	M	90	Very high	88.2	Confident	27 Å²	27	64.5 Å²	64.5	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-43.8	175.6	-78.8	171.9	53	0	0	111.9	L492 F493 F520 I524 I544 V545 N551 Q552	L492-M548 HydrophobicContact CB-CG 3.63Å; L492-M548 HydrophobicContact CB-SD 3.91Å; L492-M548 HydrophobicContact CD1-CG 3.79Å; L492-M548 HydrophobicContact CG-CG 4.38Å; F493-M548 HydrophobicContact CB-CE 3.67Å; F493-M548 HydrophobicContact CB-SD 3.52Å; F493-M548 VanDerWaalsContact CB-SD 3.52Å; F493-M548 HydrophobicContact CG-CE 4.16Å; F520-M548 HydrophobicContact CE1-CB 3.8Å; F520-M548 HydrophobicContact CE1-CE 4.39Å; F520-M548 HydrophobicContact CZ-CB 3.96Å; F520-M548 HydrophobicContact CZ-CE 4Å; I524-M548 HydrophobicContact CD1-CE 3.72Å; I524-M548 HydrophobicContact CG1-CE 4.1Å; I544-M548 HydrophobicContact CG2-SD 3.8Å; I544-M548 VanDerWaalsContact O-CB 3.3Å; I544-M548 WeakPolarHBondContact O-CB 3.43Å; I544-M548 WeakPolarHBondContact O-CG 3.29Å; I544-M548 PolarHBondContact O-N 2.82Å; V545-M548 PolarHBondContact O-N 3.17Å; M548-N551 PolarHBondContact O-N 3.37Å; M548-Q552 WeakPolarHBondContact O-CG 3.42Å; M548-Q552 PolarHBondContact O-N 3.42Å
549	F	90.6	Very high	88.5	Confident	11 Å²	11	64.7 Å²	64.7	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-49.4	177.5	-170.2	-86.4	0	0	0	111.2	L517 F520 V545 D547 N551 Q552 D553 G558 I560	L517-F549 HydrophobicContact CB-CD1 4.48Å; L517-F549 HydrophobicContact CB-CD2 4.17Å; L517-F549 HydrophobicContact CB-CE1 4.46Å; L517-F549 HydrophobicContact CB-CE2 4.14Å; L517-F549 HydrophobicContact CB-CG 4.35Å; L517-F549 HydrophobicContact CB-CZ 4.3Å; L517-F549 HydrophobicContact CD1-CB 3.65Å; L517-F549 HydrophobicContact CD1-CD1 4.28Å; L517-F549 HydrophobicContact CD1-CD2 3.91Å; L517-F549 HydrophobicContact CD1-CG 3.67Å; L517-F549 VanDerWaalsContact N-CE2 3.33Å; F520-F549 HydrophobicContact CB-CD2 3.82Å; F520-F549 HydrophobicContact CB-CE2 4.19Å; F520-F549 HydrophobicContact CD1-CB 3.98Å; F520-F549 AromaticContact CD1-CD2 3.8Å; F520-F549 HydrophobicContact CD1-CD2 3.8Å; F520-F549 HydrophobicContact CD1-CG 4.41Å; F520-F549 HydrophobicContact CE1-CB 4.09Å; F520-F549 AromaticContact CG-CD2 3.81Å; F520-F549 HydrophobicContact CG-CD2 3.81Å; V545-F549 VanDerWaalsContact O-CB 3.3Å; V545-F549 WeakPolarHBondContact O-CB 3.12Å; V545-F549 PolarHBondContact O-N 2.95Å; D547-F549 PolarHBondContact O-N 2.94Å; F549-N551 PolarHBondContact O-N 3.49Å; F549-N551 VanDerWaalsContact O-N 3.13Å; F549-Q552 PolarHBondContact O-N 3.07Å; F549-D553 HydrophobicContact CD1-CB 4.13Å; F549-D553 HydrophobicContact CE1-CB 3.82Å; F549-D553 PolarHBondContact O-N 2.83Å; F549-G558 VanDerWaalsContact CZ-O 3.29Å; F549-G558 WeakPolarHBondContact CZ-O 3.37Å; F549-I560 HydrophobicContact CD2-CD1 3.44Å; F549-I560 VanDerWaalsContact CD2-CD1 3.44Å; F549-I560 HydrophobicContact CD2-CG1 4.05Å; F549-I560 HydrophobicContact CE2-CD1 3.5Å; F549-I560 HydrophobicContact CE2-CG1 3.64Å; F549-I560 HydrophobicContact CG-CD1 4.2Å; F549-I560 HydrophobicContact CZ-CD1 4.29Å; F549-I560 HydrophobicContact CZ-CG1 3.97Å
550	Q	88.8	Confident	88.7	Confident	130 Å²	130	62 Å²	62	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-17.9	177.5	-75.3	172.6	69.4	0	0	114.7	A546 D547	A546-Q550 WeakPolarHBondContact O-CB 3.24Å; A546-Q550 VanDerWaalsContact O-CG 3.32Å; A546-Q550 WeakPolarHBondContact O-CG 3.26Å; A546-Q550 PolarHBondContact O-N 3.3Å; A546-Q550 PolarHBondContact O-NE2 2.7Å; A546-Q550 VanDerWaalsContact O-NE2 3.14Å; D547-Q550 PolarHBondContact O-N 2.94Å
551	N	87.8	Confident	88.7	Confident	109 Å²	109	60.4 Å²	60.4	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-87	-14.9	172.3	-77.2	-71.2	0	0	0	113.1	D547 M548 F549	D547-N551 PolarHBondContact O-N 3Å; D547-N551 PolarHBondContact O-ND2 3.02Å; M548-N551 PolarHBondContact O-N 3.37Å; F549-N551 PolarHBondContact O-N 3.49Å; F549-N551 VanDerWaalsContact O-N 3.13Å
552	Q	86.6	Confident	88.6	Confident	32 Å²	32	62 Å²	62	15%	0.15	32%	0.322	C	S	.	.	H	α-helix	trans	-104.4	-35.3	179	-62.2	-65.6	-40.1	0	0	112	M548 F549 R554 I560 K566	M548-Q552 WeakPolarHBondContact O-CG 3.42Å; M548-Q552 PolarHBondContact O-N 3.42Å; F549-Q552 PolarHBondContact O-N 3.07Å; Q552-R554 VanDerWaalsContact C-N 3.28Å; Q552-R554 PolarHBondContact O-N 2.99Å; Q552-I560 HydrophobicContact CB-CD1 3.62Å; Q552-I560 HydrophobicContact CB-CG1 3.93Å; Q552-I560 HydrophobicContact CB-CG2 4.44Å; Q552-I560 HydrophobicContact CG-CD1 4.43Å; Q552-K566 PolarHBondContact NE2-O 3.19Å; Q552-K566 PolarHBondContact OE1-O 3.01Å
553	D	89.1	Confident	88.2	Confident	15 Å²	15	62 Å²	62	8%	0.08	34%	0.335	C	S	.	.			trans	-69.4	83.4	167.1	178.2	6.7	0	0	0	109.7	F549 K556 D557 G558	F549-D553 HydrophobicContact CD1-CB 4.13Å; F549-D553 HydrophobicContact CE1-CB 3.82Å; F549-D553 PolarHBondContact O-N 2.83Å; D553-K556 WeakPolarHBondContact OD1-CA 3.18Å; D553-K556 PolarHBondContact OD1-N 3.48Å; D553-K556 WeakPolarHBondContact OD2-CA 3.39Å; D553-D557 PolarHBondContact OD1-N 2.91Å; D553-G558 WeakPolarHBondContact OD2-CA 3.16Å; D553-G558 PolarHBondContact OD2-N 3.46Å; D553-G558 VanDerWaalsContact OD2-N 3.13Å
554	R	85.3	Confident	87.9	Confident	123 Å²	123	58 Å²	58	46%	0.464	32%	0.316	S	S	.	.	S	Bend	trans	-75.1	-31.2	-176.1	-67.4	172.4	-165.8	-106.2	-11.8	111.6	Q552 E564 K566 E571	Q552-R554 VanDerWaalsContact C-N 3.28Å; Q552-R554 PolarHBondContact O-N 2.99Å; R554-E564 HydrophobicContact CB-CG 4.46Å; R554-E564 PolarHBondContact NE-O 3.02Å; R554-K566 VanDerWaalsContact NH2-CB 3.34Å; R554-E571 IonicContact CZ-OE1 3.82Å; R554-E571 IonicContact NH1-OE1 2.71Å; R554-E571 PolarHBondContact NH1-OE1 3.48Å; R554-E571 IonicContact NH2-OE1 2.65Å; R554-E571 PolarHBondContact NH2-OE1 2.84Å
555	N	88.2	Confident	87.6	Confident	84 Å²	84	59.8 Å²	59.8	45%	0.449	33%	0.325	S	S	.	.	S	Bend	trans	-91.6	-24	-173.5	89.8	65	0	0	0	113.4	D557 E564	N555-D557 VanDerWaalsContact ND2-CG 3.3Å; N555-D557 PolarHBondContact ND2-OD2 3.16Å; N555-D557 WeakPolarHBondContact OD1-CB 3.46Å; N555-D557 PolarHBondContact OD1-N 3.13Å; N555-D557 PolarHBondContact OD1-OD2 3.24Å; N555-D557 VanDerWaalsContact OD1-OD2 3.09Å; N555-E564 WeakPolarHBondContact CB-OE1 3.14Å; N555-E564 PolarHBondContact N-OE1 2.82Å; N555-E564 PolarHBondContact ND2-OE1 3.37Å
556	K	87.7	Confident	87	Confident	172 Å²	172	62.6 Å²	62.6	75%	0.748	34%	0.337	S	S	*	.			trans	75.5	36.7	178.7	-50.9	-170.4	178.7	-168.8	0	115.2	D553	D553-K556 WeakPolarHBondContact OD1-CA 3.18Å; D553-K556 PolarHBondContact OD1-N 3.48Å; D553-K556 WeakPolarHBondContact OD2-CA 3.39Å
557	D	88.6	Confident	86.5	Confident	95 Å²	95	63.5 Å²	63.5	51%	0.508	34%	0.338	S	S	.	.	S	Bend	trans	-88.6	-13.4	170.7	65.1	22.7	0	0	0	113.7	D553 N555 M559	D553-D557 PolarHBondContact OD1-N 2.91Å; N555-D557 VanDerWaalsContact ND2-CG 3.3Å; N555-D557 PolarHBondContact ND2-OD2 3.16Å; N555-D557 WeakPolarHBondContact OD1-CB 3.46Å; N555-D557 PolarHBondContact OD1-N 3.13Å; N555-D557 PolarHBondContact OD1-OD2 3.24Å; N555-D557 VanDerWaalsContact OD1-OD2 3.09Å; D557-M559 WeakPolarHBondContact OD1-CB 3.37Å; D557-M559 PolarHBondContact OD1-N 2.8Å
558	G	87.8	Confident	85.6	Confident	33 Å²	33	63.7 Å²	63.7	34%	0.34	34%	0.336	S	S	.	.	S	Bend	trans	92.9	11.6	-178.8	0	0	0	0	0	115.2	F549 D553	F549-G558 VanDerWaalsContact CZ-O 3.29Å; F549-G558 WeakPolarHBondContact CZ-O 3.37Å; D553-G558 WeakPolarHBondContact OD2-CA 3.16Å; D553-G558 PolarHBondContact OD2-N 3.46Å; D553-G558 VanDerWaalsContact OD2-N 3.13Å
559	M	88.9	Confident	84.8	Confident	60 Å²	60	65.8 Å²	65.8	30%	0.296	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	160.8	172.5	-56.6	-60.2	178.8	0	0	111	E514 P516 D557	E514-M559 HydrophobicContact CB-CB 4.41Å; E514-M559 HydrophobicContact CB-CG 4.3Å; E514-M559 HydrophobicContact CB-SD 4.4Å; P516-M559 HydrophobicContact CB-CE 4.44Å; P516-M559 HydrophobicContact CB-SD 3.72Å; D557-M559 WeakPolarHBondContact OD1-CB 3.37Å; D557-M559 PolarHBondContact OD1-N 2.8Å
560	I	87.9	Confident	84.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.6	164.6	-63.3	166.3	0	0	0	108.2	F504 M507 V515 F520 F549 Q552 L565	F504-I560 WeakPolarHBondContact CE2-O 3.18Å; M507-I560 HydrophobicContact CE-CG2 4.14Å; V515-I560 HydrophobicContact CB-CB 4.4Å; V515-I560 PolarHBondContact N-O 3.22Å; V515-I560 PolarHBondContact O-N 3.08Å; F520-I560 HydrophobicContact CD2-CD1 3.75Å; F520-I560 HydrophobicContact CE2-CD1 3.95Å; F520-I560 HydrophobicContact CG-CD1 4.23Å; F549-I560 HydrophobicContact CD2-CD1 3.44Å; F549-I560 VanDerWaalsContact CD2-CD1 3.44Å; F549-I560 HydrophobicContact CD2-CG1 4.05Å; F549-I560 HydrophobicContact CE2-CD1 3.5Å; F549-I560 HydrophobicContact CE2-CG1 3.64Å; F549-I560 HydrophobicContact CG-CD1 4.2Å; F549-I560 HydrophobicContact CZ-CD1 4.29Å; F549-I560 HydrophobicContact CZ-CG1 3.97Å; Q552-I560 HydrophobicContact CB-CD1 3.62Å; Q552-I560 HydrophobicContact CB-CG1 3.93Å; Q552-I560 HydrophobicContact CB-CG2 4.44Å; Q552-I560 HydrophobicContact CG-CD1 4.43Å; I560-L565 HydrophobicContact CG2-CB 3.92Å
561	T	88.6	Confident	83.5	Confident	35 Å²	35	63.6 Å²	63.6	22%	0.215	34%	0.342	C	S	.	.			trans	-97.1	161.6	171.4	68.4	0	0	0	0	112.2	S563 E564 L565	T561-S563 PolarHBondContact O-N 3.08Å; T561-S563 VanDerWaalsContact O-N 3.08Å; T561-S563 PolarHBondContact OG1-OG 2.94Å; T561-E564 WeakPolarHBondContact CB-OE2 3.2Å; T561-E564 WeakPolarHBondContact CG2-OE2 3.4Å; T561-E564 PolarHBondContact N-OE2 3.34Å; T561-E564 PolarHBondContact O-N 3.09Å; T561-E564 WeakPolarHBondContact OG1-CG 3.48Å; T561-E564 PolarHBondContact OG1-OE2 2.65Å; T561-L565 PolarHBondContact O-N 2.79Å; T561-L565 VanDerWaalsContact O-N 3.09Å
562	A	83.8	Confident	82.8	Confident	68 Å²	68	60.6 Å²	60.6	56%	0.562	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.2	176.1	0	0	0	0	0	114	F504	F504-A562 HydrophobicContact CB-CB 4.42Å; F504-A562 HydrophobicContact CD1-CB 3.84Å; F504-A562 HydrophobicContact CD2-CB 3.92Å; F504-A562 HydrophobicContact CE1-CB 4.09Å; F504-A562 HydrophobicContact CE2-CB 4.17Å; F504-A562 HydrophobicContact CG-CB 3.76Å; F504-A562 HydrophobicContact CZ-CB 4.24Å
563	S	81.4	Confident	82.4	Confident	112 Å²	112	64 Å²	64	78%	0.783	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-15.4	174	27.5	0	0	0	0	114.6	T561	T561-S563 PolarHBondContact O-N 3.08Å; T561-S563 VanDerWaalsContact O-N 3.08Å; T561-S563 PolarHBondContact OG1-OG 2.94Å
564	E	82.7	Confident	81.9	Confident	20 Å²	20	68.1 Å²	68.1	9%	0.093	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-32.5	-174.5	-69	166.7	120	0	0	112.7	R554 N555 T561 K566	R554-E564 HydrophobicContact CB-CG 4.46Å; R554-E564 PolarHBondContact NE-O 3.02Å; N555-E564 WeakPolarHBondContact CB-OE1 3.14Å; N555-E564 PolarHBondContact N-OE1 2.82Å; N555-E564 PolarHBondContact ND2-OE1 3.37Å; T561-E564 WeakPolarHBondContact CB-OE2 3.2Å; T561-E564 WeakPolarHBondContact CG2-OE2 3.4Å; T561-E564 PolarHBondContact N-OE2 3.34Å; T561-E564 PolarHBondContact O-N 3.09Å; T561-E564 WeakPolarHBondContact OG1-CG 3.48Å; T561-E564 PolarHBondContact OG1-OE2 2.65Å; E564-K566 PolarHBondContact O-N 2.93Å; E564-K566 VanDerWaalsContact O-N 3.13Å
565	L	84	Confident	81.3	Confident	36 Å²	36	69.4 Å²	69.4	19%	0.188	36%	0.364	C	S	.	.			trans	-56.7	113.2	172.9	178	63.3	0	0	0	110.3	L503 F504 M507 I560 T561	L503-L565 HydrophobicContact CB-CD2 4.38Å; L503-L565 HydrophobicContact CD2-CD2 4.33Å; L503-L565 HydrophobicContact CG-CD2 4.1Å; F504-L565 HydrophobicContact CB-CD2 4.02Å; F504-L565 HydrophobicContact CD2-CB 4.35Å; F504-L565 HydrophobicContact CD2-CD2 3.91Å; F504-L565 HydrophobicContact CG-CD2 4.48Å; M507-L565 HydrophobicContact CE-CD1 4.16Å; M507-L565 HydrophobicContact CE-CD2 3.89Å; I560-L565 HydrophobicContact CG2-CB 3.92Å; T561-L565 PolarHBondContact O-N 2.79Å; T561-L565 VanDerWaalsContact O-N 3.09Å
566	K	79.6	Confident	80.7	Confident	59 Å²	59	71.8 Å²	71.8	26%	0.257	37%	0.372	S	S	.	.			trans	-142.5	121.9	176	-157.2	164.6	-177.3	168.7	0	111.2	Q552 R554 E564 K568 E571 E574	Q552-K566 PolarHBondContact NE2-O 3.19Å; Q552-K566 PolarHBondContact OE1-O 3.01Å; R554-K566 VanDerWaalsContact NH2-CB 3.34Å; E564-K566 PolarHBondContact O-N 2.93Å; E564-K566 VanDerWaalsContact O-N 3.13Å; K566-K568 PolarHBondContact O-N 3.36Å; K566-E571 HydrophobicContact CB-CG 4.34Å; K566-E571 HydrophobicContact CD-CG 3.7Å; K566-E571 HydrophobicContact CG-CG 3.76Å; K566-E574 WeakPolarHBondContact CE-OE1 3.27Å; K566-E574 IonicContact NZ-OE1 3.64Å; K566-E574 PolarHBondContact NZ-OE1 2.71Å; K566-E574 IonicContact NZ-OE2 2.66Å; K566-E574 PolarHBondContact NZ-OE2 3.41Å
567	L	78.2	Confident	80	Confident	48 Å²	48	69.8 Å²	69.8	25%	0.251	37%	0.365	S	S	.	.			trans	-66.6	132.4	173.9	-71.8	177.6	0	0	0	109.8	T499 L503 V569 D570 E571	T499-L567 HydrophobicContact CG2-CD1 4.1Å; L503-L567 HydrophobicContact CD2-CD1 4.06Å; L503-L567 HydrophobicContact CD2-CD2 3.62Å; L503-L567 HydrophobicContact CD2-CG 3.87Å; L567-V569 PolarHBondContact O-N 3.04Å; L567-V569 VanDerWaalsContact O-N 3.16Å; L567-D570 PolarHBondContact O-N 3.3Å; L567-E571 PolarHBondContact O-N 3.43Å; L567-E571 VanDerWaalsContact O-N 3.13Å
568	K	72	Confident	79.1	Confident	69 Å²	69	67.6 Å²	67.6	30%	0.3	36%	0.361	S	S	.	.	H	α-helix	trans	-56	-34.1	177.8	-177.4	178.8	174.2	-171.2	0	112.6	G490 Y491 K566 D570 E571 D572	G490-K568 PolarHBondContact O-NZ 2.9Å; Y491-K568 HydrophobicContact CD1-CD 4.4Å; Y491-K568 HydrophobicContact CD2-CD 4.2Å; Y491-K568 HydrophobicContact CE1-CB 4.04Å; Y491-K568 HydrophobicContact CE1-CD 4.03Å; Y491-K568 HydrophobicContact CE1-CG 4.2Å; Y491-K568 HydrophobicContact CE2-CD 3.79Å; Y491-K568 HydrophobicContact CE2-CG 4.42Å; Y491-K568 HydrophobicContact CG-CD 4.46Å; K566-K568 PolarHBondContact O-N 3.36Å; K568-D570 PolarHBondContact O-N 2.66Å; K568-E571 PolarHBondContact O-N 2.79Å; K568-D572 WeakPolarHBondContact CE-OD2 3.44Å; K568-D572 WeakPolarHBondContact O-CB 3.41Å; K568-D572 VanDerWaalsContact O-CG 3.28Å; K568-D572 PolarHBondContact O-N 2.63Å
569	V	73	Confident	78.3	Confident	70 Å²	70	74.5 Å²	74.5	42%	0.424	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-33.1	176.1	-179.1	0	0	0	0	111.7	Y491 L567 K573	Y491-V569 HydrophobicContact CE1-CG2 3.9Å; L567-V569 PolarHBondContact O-N 3.04Å; L567-V569 VanDerWaalsContact O-N 3.16Å; V569-K573 VanDerWaalsContact O-CG 3.25Å; V569-K573 WeakPolarHBondContact O-CG 3.29Å; V569-K573 PolarHBondContact O-N 3.2Å; V569-K573 VanDerWaalsContact O-N 3.16Å
570	D	77.2	Confident	77.3	Confident	56 Å²	56	78.9 Å²	78.9	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-88.4	-30.4	179.3	-57.2	-47.6	0	0	0	112.1	L567 K568 K573 E574	L567-D570 PolarHBondContact O-N 3.3Å; K568-D570 PolarHBondContact O-N 2.66Å; D570-K573 IonicContact OD1-NZ 2.66Å; D570-K573 PolarHBondContact OD1-NZ 3.26Å; D570-E574 WeakPolarHBondContact O-CB 3.5Å; D570-E574 WeakPolarHBondContact O-CG 3.5Å; D570-E574 PolarHBondContact O-N 3.22Å
571	E	75.3	Confident	76.3	Confident	39 Å²	39	87.1 Å²	87.1	18%	0.182	43%	0.434	C	S	.	.	H	α-helix	trans	-62.8	-40.9	165.5	-63.2	-156.2	146.8	0	0	112.4	R554 K566 L567 K568 R575	R554-E571 IonicContact CZ-OE1 3.82Å; R554-E571 IonicContact NH1-OE1 2.71Å; R554-E571 PolarHBondContact NH1-OE1 3.48Å; R554-E571 IonicContact NH2-OE1 2.65Å; R554-E571 PolarHBondContact NH2-OE1 2.84Å; K566-E571 HydrophobicContact CB-CG 4.34Å; K566-E571 HydrophobicContact CD-CG 3.7Å; K566-E571 HydrophobicContact CG-CG 3.76Å; L567-E571 PolarHBondContact O-N 3.43Å; L567-E571 VanDerWaalsContact O-N 3.13Å; K568-E571 PolarHBondContact O-N 2.79Å; E571-R575 WeakPolarHBondContact O-CB 3.39Å; E571-R575 WeakPolarHBondContact O-CD 3.35Å; E571-R575 WeakPolarHBondContact O-CG 3.48Å; E571-R575 PolarHBondContact O-N 2.72Å; E571-R575 IonicContact OE2-NH2 2.75Å
572	D	73.1	Confident	74.9	Confident	47 Å²	47	93.6 Å²	93.6	25%	0.251	46%	0.462	S	S	.	.	H	α-helix	trans	-66.8	-43.4	177.9	-71	-22	0	0	0	110	Y491 K568 R575 E576	Y491-D572 PolarHBondContact OH-OD2 2.91Å; K568-D572 WeakPolarHBondContact CE-OD2 3.44Å; K568-D572 WeakPolarHBondContact O-CB 3.41Å; K568-D572 VanDerWaalsContact O-CG 3.28Å; K568-D572 PolarHBondContact O-N 2.63Å; D572-R575 PolarHBondContact O-N 3.01Å; D572-R575 IonicContact OD1-NH1 2.7Å; D572-E576 WeakPolarHBondContact O-CG 3.25Å; D572-E576 PolarHBondContact O-N 2.66Å
573	K	78.2	Confident	73.2	Confident	104 Å²	104	99.7 Å²	99.7	45%	0.452	48%	0.484	S	S	.	.	H	α-helix	trans	-59	-48.2	172.1	-75.1	168.1	-163	157.6	0	113.1	V569 D570 R575 E576 Q577	V569-K573 VanDerWaalsContact O-CG 3.25Å; V569-K573 WeakPolarHBondContact O-CG 3.29Å; V569-K573 PolarHBondContact O-N 3.2Å; V569-K573 VanDerWaalsContact O-N 3.16Å; D570-K573 IonicContact OD1-NZ 2.66Å; D570-K573 PolarHBondContact OD1-NZ 3.26Å; K573-R575 VanDerWaalsContact C-N 3.29Å; K573-R575 PolarHBondContact O-N 3.16Å; K573-E576 PolarHBondContact O-N 2.95Å; K573-Q577 WeakPolarHBondContact O-CG 3.44Å; K573-Q577 PolarHBondContact O-N 2.85Å
574	E	77.9	Confident	72.8	Confident	100 Å²	100	99.1 Å²	99.1	47%	0.467	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-38.5	179.1	-80.9	178.3	-155.4	0	0	111.6	K566 D570 Q577 A578	K566-E574 WeakPolarHBondContact CE-OE1 3.27Å; K566-E574 IonicContact NZ-OE1 3.64Å; K566-E574 PolarHBondContact NZ-OE1 2.71Å; K566-E574 IonicContact NZ-OE2 2.66Å; K566-E574 PolarHBondContact NZ-OE2 3.41Å; D570-E574 WeakPolarHBondContact O-CB 3.5Å; D570-E574 WeakPolarHBondContact O-CG 3.5Å; D570-E574 PolarHBondContact O-N 3.22Å; E574-Q577 PolarHBondContact O-N 3.43Å; E574-A578 WeakPolarHBondContact O-CB 3.47Å; E574-A578 PolarHBondContact O-N 2.87Å
575	R	74.4	Confident	72.2	Confident	151 Å²	151	103.2 Å²	103.2	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-40.1	174.4	-74.5	168.3	179.8	166.6	6.4	112.1	E571 D572 K573 R579	E571-R575 WeakPolarHBondContact O-CB 3.39Å; E571-R575 WeakPolarHBondContact O-CD 3.35Å; E571-R575 WeakPolarHBondContact O-CG 3.48Å; E571-R575 PolarHBondContact O-N 2.72Å; E571-R575 IonicContact OE2-NH2 2.75Å; D572-R575 PolarHBondContact O-N 3.01Å; D572-R575 IonicContact OD1-NH1 2.7Å; K573-R575 VanDerWaalsContact C-N 3.29Å; K573-R575 PolarHBondContact O-N 3.16Å; R575-R579 WeakPolarHBondContact O-CB 3.42Å; R575-R579 PolarHBondContact O-N 3.4Å
576	E	73.9	Confident	71.6	Confident	134 Å²	134	106.9 Å²	106.9	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-65.6	-42.6	173.8	-74.3	-172.9	158	0	0	111.7	D572 K573 R579 H580	D572-E576 WeakPolarHBondContact O-CG 3.25Å; D572-E576 PolarHBondContact O-N 2.66Å; K573-E576 PolarHBondContact O-N 2.95Å; E576-R579 PolarHBondContact O-N 2.9Å; E576-H580 WeakPolarHBondContact O-CB 3.4Å; E576-H580 PolarHBondContact O-CD2 3.03Å; E576-H580 VanDerWaalsContact O-CD2 3.23Å; E576-H580 PolarHBondContact O-N 3.23Å
577	Q	72.8	Confident	71.1	Confident	129 Å²	129	109.8 Å²	109.8	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-63.2	-51.2	176.3	-74.6	-178.4	-42.7	0	0	112.1	K573 E574 R579 H580 E581	K573-Q577 WeakPolarHBondContact O-CG 3.44Å; K573-Q577 PolarHBondContact O-N 2.85Å; E574-Q577 PolarHBondContact O-N 3.43Å; Q577-R579 VanDerWaalsContact C-N 3.26Å; Q577-R579 PolarHBondContact O-N 3.38Å; Q577-H580 CarbonylContact O-C 3.57Å; Q577-H580 WeakPolarHBondContact O-CA 3.44Å; Q577-H580 WeakPolarHBondContact O-CB 3.42Å; Q577-H580 PolarHBondContact O-N 3.1Å; Q577-E581 PolarHBondContact O-N 3.43Å
578	A	71.6	Confident	70.7	Confident	50 Å²	50	113.6 Å²	113.6	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-57.4	-41	176.6	0	0	0	0	0	111.7	E574 H580 E581 E582	E574-A578 WeakPolarHBondContact O-CB 3.47Å; E574-A578 PolarHBondContact O-N 2.87Å; A578-H580 VanDerWaalsContact C-N 3.31Å; A578-H580 PolarHBondContact O-N 2.97Å; A578-E581 PolarHBondContact O-N 3.01Å; A578-E581 VanDerWaalsContact O-N 3.1Å; A578-E582 PolarHBondContact O-N 3.28Å
579	R	69.6	Low	70.6	Confident	178 Å²	178	116.6 Å²	116.6	67%	0.672	55%	0.553	S	S	*	*	H	α-helix	trans	-71.5	-22.9	177.2	-166.8	177.7	-174.7	-161	1.4	113.7	R575 E576 Q577 L583	R575-R579 WeakPolarHBondContact O-CB 3.42Å; R575-R579 PolarHBondContact O-N 3.4Å; E576-R579 PolarHBondContact O-N 2.9Å; Q577-R579 VanDerWaalsContact C-N 3.26Å; Q577-R579 PolarHBondContact O-N 3.38Å; R579-L583 WeakPolarHBondContact O-CD1 3.37Å; R579-L583 WeakPolarHBondContact O-CG 3.45Å
580	H	67.3	Low	70.4	Confident	152 Å²	152	119.9 Å²	119.9	70%	0.704	56%	0.562	S	S	*	*	H	α-helix	trans	-81	-18.4	169	-91.3	-114.9	0	0	0	113	E576 Q577 A578	E576-H580 WeakPolarHBondContact O-CB 3.4Å; E576-H580 PolarHBondContact O-CD2 3.03Å; E576-H580 VanDerWaalsContact O-CD2 3.23Å; E576-H580 PolarHBondContact O-N 3.23Å; Q577-H580 CarbonylContact O-C 3.57Å; Q577-H580 WeakPolarHBondContact O-CA 3.44Å; Q577-H580 WeakPolarHBondContact O-CB 3.42Å; Q577-H580 PolarHBondContact O-N 3.1Å; A578-H580 VanDerWaalsContact C-N 3.31Å; A578-H580 PolarHBondContact O-N 2.97Å
581	E	67.4	Low	69.9	Low	172 Å²	172	124.8 Å²	124.8	80%	0.804	58%	0.582	S	S	*	*	H	α-helix	trans	-89.8	-16.9	172.2	-68.2	-178	167.5	0	0	112.7	Q577 A578	Q577-E581 PolarHBondContact O-N 3.43Å; A578-E581 PolarHBondContact O-N 3.01Å; A578-E581 VanDerWaalsContact O-N 3.1Å
582	E	60.4	Low	69.4	Low	171 Å²	171	132 Å²	132	80%	0.799	62%	0.616	S	S	*	*			trans	-87.7	-2.2	172.8	-73.1	-172.5	148.1	0	0	114.9	A578	A578-E582 PolarHBondContact O-N 3.28Å
583	L	46.6	Very low	69.1	Low	196 Å²	196	139.7 Å²	139.7	100%	1.026	65%	0.649	S	S	*	*			trans	-112.6	0	-174.3	-80.9	171.6	0	0	0	114.5	R579	R579-L583 WeakPolarHBondContact O-CD1 3.37Å; R579-L583 WeakPolarHBondContact O-CG 3.45Å

Retrieved 583 of 583 residues in 431.1 ms (Link to these results)

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