A0A5K4F878_SCHMA Loading...

Protein DPCD AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F878, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 228 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	50.9	Low	235 Å²	235	144.7 Å²	144.7	100%	1.158	74%	0.741	S	S	*	*				0	148.1	0	-84.5	-175.5	-96.6	0	0	107.9
2	L	47.7	Very low	51.1	Low	162 Å²	162	142.3 Å²	142.3	85%	0.848	73%	0.729	S	S	*	*			trans	93.4	68.3	-175.5	-53.4	161.9	0	0	0	114.9
3	H	48.6	Very low	51.5	Low	198 Å²	198	137.7 Å²	137.7	92%	0.917	71%	0.713	S	S	*	*			trans	-154.1	59.7	158.2	-94.2	84.1	0	0	0	108.8
4	C	49.8	Very low	51.9	Low	124 Å²	124	131.6 Å²	131.6	84%	0.838	69%	0.688	S	S	*	*			trans	-161.8	61.7	170.8	-153.8	0	0	0	0	112.3
5	Q	53.1	Low	52.4	Low	170 Å²	170	130 Å²	130	79%	0.794	68%	0.675	S	S	*	*	S	Bend	trans	-140.6	-4.2	168.4	-78.4	-169.4	-29.3	0	0	115
6	T	51.3	Low	53	Low	107 Å²	107	129.3 Å²	129.3	66%	0.656	67%	0.668	S	S	*	*	H	α-helix	trans	-85.7	-21.1	-175.3	29.3	0	0	0	0	115.3	S9	T6-S9 PolarHBondContact O-OG 3.34Å; T6-S9 VanDerWaalsContact O-OG 3.09Å
7	R	51.8	Low	53.7	Low	206 Å²	206	127.1 Å²	127.1	78%	0.777	66%	0.657	S	S	*	*	H	α-helix	trans	-79.6	-24.8	-171.4	-143.3	178.1	-170	-169.4	2.1	114.2	I11	R7-I11 WeakPolarHBondContact O-CG1 3.42Å
8	T	53.4	Low	54.3	Low	100 Å²	100	125.7 Å²	125.7	61%	0.613	65%	0.65	S	S	*	*	H	α-helix	trans	-78.7	-32.3	180	40	0	0	0	0	112.6	L12	T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.36Å
9	S	55.7	Low	54.7	Low	66 Å²	66	125.7 Å²	125.7	46%	0.462	65%	0.647	S	S	.	*	H	α-helix	trans	-69.5	-40.5	178.8	51.8	0	0	0	0	112.2	T6 I11 L12 T13	T6-S9 PolarHBondContact O-OG 3.34Å; T6-S9 VanDerWaalsContact O-OG 3.09Å; S9-I11 VanDerWaalsContact C-N 3.35Å; S9-I11 PolarHBondContact O-N 3.45Å; S9-L12 PolarHBondContact O-N 3.06Å; S9-T13 PolarHBondContact O-N 3.12Å; S9-T13 VanDerWaalsContact O-N 3.1Å; S9-T13 PolarHBondContact O-OG1 3.21Å
10	E	53.6	Low	54.8	Low	133 Å²	133	123.8 Å²	123.8	62%	0.621	64%	0.638	S	S	*	*	H	α-helix	trans	-65.3	-35.4	-179.4	-70.6	177.5	174.2	0	0	113.1	T13 S14	E10-T13 PolarHBondContact O-OG1 3.11Å; E10-S14 WeakPolarHBondContact O-CB 3.31Å; E10-S14 PolarHBondContact O-N 2.67Å; E10-S14 VanDerWaalsContact O-N 3.15Å
11	I	55.5	Low	55	Low	91 Å²	91	125 Å²	125	47%	0.467	64%	0.638	S	S	.	*	H	α-helix	trans	-69.9	-42.1	177.7	-65.3	170.9	0	0	0	110.1	R7 S9 S14 H15	R7-I11 WeakPolarHBondContact O-CG1 3.42Å; S9-I11 VanDerWaalsContact C-N 3.35Å; S9-I11 PolarHBondContact O-N 3.45Å; I11-S14 PolarHBondContact O-N 3.09Å; I11-S14 PolarHBondContact O-OG 3.16Å; I11-H15 PolarHBondContact O-CD2 3.32Å; I11-H15 PolarHBondContact O-N 3.07Å; I11-H15 VanDerWaalsContact O-N 3.08Å
12	L	53	Low	55.6	Low	115 Å²	115	120 Å²	120	60%	0.602	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-42.7	-179.7	-72	169	0	0	0	112.2	T8 S9 S14 H15 Q16	T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.36Å; S9-L12 PolarHBondContact O-N 3.06Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.5Å; L12-H15 PolarHBondContact O-N 3.23Å; L12-Q16 PolarHBondContact O-N 3.26Å
13	T	56.6	Low	55.7	Low	83 Å²	83	119.3 Å²	119.3	51%	0.509	60%	0.599	S	S	.	*	H	α-helix	trans	-62.5	-39.7	173.3	28.9	0	0	0	0	111.9	S9 E10 H15 Q16 D17	S9-T13 PolarHBondContact O-N 3.12Å; S9-T13 VanDerWaalsContact O-N 3.1Å; S9-T13 PolarHBondContact O-OG1 3.21Å; E10-T13 PolarHBondContact O-OG1 3.11Å; T13-H15 VanDerWaalsContact C-N 3.32Å; T13-H15 PolarHBondContact O-N 3.08Å; T13-Q16 PolarHBondContact O-N 3.28Å; T13-D17 WeakPolarHBondContact O-CB 3.39Å; T13-D17 VanDerWaalsContact O-CG 3.24Å; T13-D17 PolarHBondContact O-N 3.45Å
14	S	57.7	Low	55.9	Low	52 Å²	52	115.9 Å²	115.9	36%	0.364	58%	0.584	S	S	.	*	H	α-helix	trans	-64	-35.1	178.2	77.5	0	0	0	0	113.4	E10 I11 L12 I18	E10-S14 WeakPolarHBondContact O-CB 3.31Å; E10-S14 PolarHBondContact O-N 2.67Å; E10-S14 VanDerWaalsContact O-N 3.15Å; I11-S14 PolarHBondContact O-N 3.09Å; I11-S14 PolarHBondContact O-OG 3.16Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.5Å; S14-I18 VanDerWaalsContact O-CD1 3.29Å; S14-I18 WeakPolarHBondContact O-CD1 3.24Å; S14-I18 WeakPolarHBondContact O-CG1 3.29Å; S14-I18 PolarHBondContact O-N 3.31Å
15	H	58.7	Low	56.1	Low	108 Å²	108	118.7 Å²	118.7	50%	0.5	58%	0.577	S	S	.	*	H	α-helix	trans	-72	-42	176.4	-87.8	-77.6	0	0	0	111.8	I11 L12 T13 I18 E19	I11-H15 PolarHBondContact O-CD2 3.32Å; I11-H15 PolarHBondContact O-N 3.07Å; I11-H15 VanDerWaalsContact O-N 3.08Å; L12-H15 PolarHBondContact O-N 3.23Å; T13-H15 VanDerWaalsContact C-N 3.32Å; T13-H15 PolarHBondContact O-N 3.08Å; H15-I18 PolarHBondContact O-N 3.38Å; H15-E19 PolarHBondContact O-N 3.24Å
16	Q	61.5	Low	56	Low	119 Å²	119	113.6 Å²	113.6	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-61.5	-44.8	176.7	-153.5	103.7	13.1	0	0	111.1	L12 T13 I18 E19 D20	L12-Q16 PolarHBondContact O-N 3.26Å; T13-Q16 PolarHBondContact O-N 3.28Å; Q16-I18 VanDerWaalsContact C-N 3.26Å; Q16-I18 PolarHBondContact O-N 2.74Å; Q16-E19 PolarHBondContact O-N 3.1Å; Q16-D20 WeakPolarHBondContact O-CB 3.47Å; Q16-D20 PolarHBondContact O-N 3.26Å
17	D	64.7	Low	55.9	Low	92 Å²	92	112.8 Å²	112.8	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-30	177.8	-71.8	-26.6	0	0	0	113	T13 K21	T13-D17 WeakPolarHBondContact O-CB 3.39Å; T13-D17 VanDerWaalsContact O-CG 3.24Å; T13-D17 PolarHBondContact O-N 3.45Å; D17-K21 WeakPolarHBondContact O-CB 3.4Å; D17-K21 VanDerWaalsContact O-CG 3.27Å; D17-K21 WeakPolarHBondContact O-CG 3.29Å; D17-K21 PolarHBondContact O-N 3.49Å
18	I	65.8	Low	55.8	Low	101 Å²	101	109.3 Å²	109.3	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-75.9	-43.7	176.3	-70.2	165.4	0	0	0	110.6	S14 H15 Q16 K21 Q22	S14-I18 VanDerWaalsContact O-CD1 3.29Å; S14-I18 WeakPolarHBondContact O-CD1 3.24Å; S14-I18 WeakPolarHBondContact O-CG1 3.29Å; S14-I18 PolarHBondContact O-N 3.31Å; H15-I18 PolarHBondContact O-N 3.38Å; Q16-I18 VanDerWaalsContact C-N 3.26Å; Q16-I18 PolarHBondContact O-N 2.74Å; I18-K21 PolarHBondContact O-N 3.15Å; I18-Q22 WeakPolarHBondContact O-CB 3.18Å; I18-Q22 PolarHBondContact O-N 2.93Å
19	E	60.8	Low	55.7	Low	127 Å²	127	109 Å²	109	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-64.9	-42.5	177.4	-75	-174.6	172.7	0	0	111.6	H15 Q16 Q22 Y23	H15-E19 PolarHBondContact O-N 3.24Å; Q16-E19 PolarHBondContact O-N 3.1Å; E19-Q22 PolarHBondContact O-N 3.33Å; E19-Y23 WeakPolarHBondContact O-CB 3.47Å; E19-Y23 PolarHBondContact O-N 2.91Å
20	D	56.7	Low	55.4	Low	87 Å²	87	111 Å²	111	47%	0.465	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-42.1	177.7	-74	-21.7	0	0	0	111.5	Q16 Q22 Y23 E24	Q16-D20 WeakPolarHBondContact O-CB 3.47Å; Q16-D20 PolarHBondContact O-N 3.26Å; D20-Q22 VanDerWaalsContact C-N 3.34Å; D20-Q22 PolarHBondContact O-N 3.11Å; D20-Y23 PolarHBondContact O-N 2.81Å; D20-E24 PolarHBondContact O-N 3.04Å
21	K	59.4	Low	55.4	Low	150 Å²	150	109.8 Å²	109.8	65%	0.652	54%	0.535	S	S	*	.	H	α-helix	trans	-65	-37.4	173.1	-78.8	176.9	-178.7	171.1	0	112.5	D17 I18 R25	D17-K21 WeakPolarHBondContact O-CB 3.4Å; D17-K21 VanDerWaalsContact O-CG 3.27Å; D17-K21 WeakPolarHBondContact O-CG 3.29Å; D17-K21 PolarHBondContact O-N 3.49Å; I18-K21 PolarHBondContact O-N 3.15Å; K21-R25 WeakPolarHBondContact O-CB 3.43Å; K21-R25 PolarHBondContact O-N 3.17Å
22	Q	52.5	Low	55.9	Low	130 Å²	130	109.4 Å²	109.4	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-69.2	-37.8	176.9	-171.5	170.7	-20.4	0	0	110.8	I18 E19 D20 T26	I18-Q22 WeakPolarHBondContact O-CB 3.18Å; I18-Q22 PolarHBondContact O-N 2.93Å; E19-Q22 PolarHBondContact O-N 3.33Å; D20-Q22 VanDerWaalsContact C-N 3.34Å; D20-Q22 PolarHBondContact O-N 3.11Å; Q22-T26 WeakPolarHBondContact O-CB 3.49Å; Q22-T26 PolarHBondContact O-N 3.42Å; Q22-T26 PolarHBondContact O-OG1 2.86Å
23	Y	49.8	Very low	56.6	Low	147 Å²	147	106.7 Å²	106.7	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-65.8	-50.9	174	-175.2	-101.5	0	0	0	111.4	E19 D20 R25 T26 Q27	E19-Y23 WeakPolarHBondContact O-CB 3.47Å; E19-Y23 PolarHBondContact O-N 2.91Å; D20-Y23 PolarHBondContact O-N 2.81Å; Y23-R25 VanDerWaalsContact C-N 3.28Å; Y23-R25 PolarHBondContact O-N 3.19Å; Y23-T26 CarbonylContact O-C 3.58Å; Y23-T26 WeakPolarHBondContact O-CA 3.4Å; Y23-T26 WeakPolarHBondContact O-CB 3.27Å; Y23-T26 PolarHBondContact O-N 2.99Å; Y23-Q27 HydrophobicContact CD1-CG 3.82Å; Y23-Q27 HydrophobicContact CD2-CG 4.47Å; Y23-Q27 HydrophobicContact CE1-CG 3.57Å; Y23-Q27 HydrophobicContact CE2-CG 4.25Å; Y23-Q27 VanDerWaalsContact CE2-NE2 3.27Å; Y23-Q27 HydrophobicContact CG-CG 4.28Å; Y23-Q27 WeakPolarHBondContact O-CB 3.48Å; Y23-Q27 VanDerWaalsContact O-CG 3.26Å; Y23-Q27 WeakPolarHBondContact O-CG 3.43Å; Y23-Q27 PolarHBondContact O-N 2.73Å; Y23-Q27 PolarHBondContact OH-NE2 2.99Å; Y23-Q27 VanDerWaalsContact OH-NE2 3.08Å
24	E	52.5	Low	57.8	Low	126 Å²	126	104.3 Å²	104.3	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-58.4	-39.4	175.5	-78.8	-173.4	165.6	0	0	112.3	D20 T26 Q27 L28	D20-E24 PolarHBondContact O-N 3.04Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-Q27 PolarHBondContact O-N 3.4Å; E24-L28 VanDerWaalsContact O-CB 3.31Å; E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 WeakPolarHBondContact O-CG 3.39Å; E24-L28 PolarHBondContact O-N 3.07Å
25	R	53.6	Low	59.2	Low	183 Å²	183	104.1 Å²	104.1	69%	0.691	51%	0.51	S	S	*	.	H	α-helix	trans	-66.9	-36.5	176	-156.3	177.9	-154	-163.8	5.4	112	K21 Y23 Q29	K21-R25 WeakPolarHBondContact O-CB 3.43Å; K21-R25 PolarHBondContact O-N 3.17Å; Y23-R25 VanDerWaalsContact C-N 3.28Å; Y23-R25 PolarHBondContact O-N 3.19Å; R25-Q29 VanDerWaalsContact O-CB 3.25Å; R25-Q29 WeakPolarHBondContact O-CB 3.32Å; R25-Q29 WeakPolarHBondContact O-CG 3.46Å; R25-Q29 PolarHBondContact O-N 3.12Å
26	T	50.4	Low	60.8	Low	63 Å²	63	100 Å²	100	39%	0.387	49%	0.49	S	S	.	.	H	α-helix	trans	-70.6	-39.7	174.5	-52.5	0	0	0	0	111.1	Q22 Y23 E24 Q29 N30	Q22-T26 WeakPolarHBondContact O-CB 3.49Å; Q22-T26 PolarHBondContact O-N 3.42Å; Q22-T26 PolarHBondContact O-OG1 2.86Å; Y23-T26 CarbonylContact O-C 3.58Å; Y23-T26 WeakPolarHBondContact O-CA 3.4Å; Y23-T26 WeakPolarHBondContact O-CB 3.27Å; Y23-T26 PolarHBondContact O-N 2.99Å; E24-T26 VanDerWaalsContact C-N 3.34Å; T26-Q29 PolarHBondContact O-N 3.2Å; T26-N30 VanDerWaalsContact O-CG 3.3Å; T26-N30 PolarHBondContact O-N 2.84Å; T26-N30 PolarHBondContact O-ND2 2.81Å
27	Q	49.2	Very low	62.3	Low	90 Å²	90	94.7 Å²	94.7	42%	0.421	47%	0.466	S	S	.	.	H	α-helix	trans	-67.6	-40.9	176.5	-69.1	-61.8	-25.9	0	0	112	Y23 E24 Q29 N30	Y23-Q27 HydrophobicContact CD1-CG 3.82Å; Y23-Q27 HydrophobicContact CD2-CG 4.47Å; Y23-Q27 HydrophobicContact CE1-CG 3.57Å; Y23-Q27 HydrophobicContact CE2-CG 4.25Å; Y23-Q27 VanDerWaalsContact CE2-NE2 3.27Å; Y23-Q27 HydrophobicContact CG-CG 4.28Å; Y23-Q27 WeakPolarHBondContact O-CB 3.48Å; Y23-Q27 VanDerWaalsContact O-CG 3.26Å; Y23-Q27 WeakPolarHBondContact O-CG 3.43Å; Y23-Q27 PolarHBondContact O-N 2.73Å; Y23-Q27 PolarHBondContact OH-NE2 2.99Å; Y23-Q27 VanDerWaalsContact OH-NE2 3.08Å; E24-Q27 PolarHBondContact O-N 3.4Å; Q27-Q29 VanDerWaalsContact C-N 3.32Å; Q27-N30 PolarHBondContact O-N 2.89Å
28	L	51.2	Low	63.7	Low	133 Å²	133	96.1 Å²	96.1	70%	0.696	47%	0.468	S	S	*	.	H	α-helix	trans	-68.7	-30.4	172.9	-76.1	164.3	0	0	0	112	E24 M31	E24-L28 VanDerWaalsContact O-CB 3.31Å; E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 WeakPolarHBondContact O-CG 3.39Å; E24-L28 PolarHBondContact O-N 3.07Å; L28-M31 WeakPolarHBondContact O-CG 3.43Å
29	Q	51.2	Low	65	Low	92 Å²	92	94.8 Å²	94.8	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-77.3	-21	175.1	-81.2	179.2	-21.6	0	0	113.8	R25 T26 Q27 M31	R25-Q29 VanDerWaalsContact O-CB 3.25Å; R25-Q29 WeakPolarHBondContact O-CB 3.32Å; R25-Q29 WeakPolarHBondContact O-CG 3.46Å; R25-Q29 PolarHBondContact O-N 3.12Å; T26-Q29 PolarHBondContact O-N 3.2Å; Q27-Q29 VanDerWaalsContact C-N 3.32Å; Q29-M31 PolarHBondContact O-N 3.35Å
30	N	49.2	Very low	66.7	Low	110 Å²	110	88.7 Å²	88.7	59%	0.588	43%	0.43	S	S	*	.			trans	-70.9	35.1	165.5	-66.9	-22.8	0	0	0	111.7	T26 Q27 D32	T26-N30 VanDerWaalsContact O-CG 3.3Å; T26-N30 PolarHBondContact O-N 2.84Å; T26-N30 PolarHBondContact O-ND2 2.81Å; Q27-N30 PolarHBondContact O-N 2.89Å; N30-D32 PolarHBondContact O-N 2.8Å
31	M	53.8	Low	68.5	Low	107 Å²	107	90.3 Å²	90.3	53%	0.527	43%	0.432	S	S	.	.			trans	-47.2	134.2	163.9	-66.2	-170.5	82.2	0	0	107.6	L28 Q29 T33	L28-M31 WeakPolarHBondContact O-CG 3.43Å; Q29-M31 PolarHBondContact O-N 3.35Å; M31-T33 VanDerWaalsContact C-N 3.34Å; M31-T33 PolarHBondContact O-N 2.92Å
32	D	66.6	Low	70.3	Confident	82 Å²	82	86.2 Å²	86.2	44%	0.439	42%	0.423	S	S	.	.			trans	-54.3	94.1	-174.1	-177.3	11.4	0	0	0	110.9	N30 S34 A35 K38	N30-D32 PolarHBondContact O-N 2.8Å; D32-S34 PolarHBondContact O-N 2.95Å; D32-S34 WeakPolarHBondContact OD1-CA 3.2Å; D32-S34 WeakPolarHBondContact OD1-CB 3.27Å; D32-S34 PolarHBondContact OD1-N 3.15Å; D32-S34 PolarHBondContact OD1-OG 2.99Å; D32-S34 PolarHBondContact OD2-OG 3Å; D32-A35 HydrophobicContact CB-CB 4.48Å; D32-A35 WeakPolarHBondContact O-CB 3.48Å; D32-A35 PolarHBondContact O-N 3Å; D32-K38 IonicContact OD1-NZ 3.36Å; D32-K38 IonicContact OD2-NZ 2.84Å; D32-K38 PolarHBondContact OD2-NZ 2.94Å
33	T	67.5	Low	72.4	Confident	59 Å²	59	80.3 Å²	80.3	36%	0.362	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.4	177.2	54.7	0	0	0	0	111.2	M31 M174 E201 N205	M31-T33 VanDerWaalsContact C-N 3.34Å; M31-T33 PolarHBondContact O-N 2.92Å; T33-M174 VanDerWaalsContact CB-CE 3.46Å; T33-M174 HydrophobicContact CG2-CE 3.84Å; T33-M174 VanDerWaalsContact O-CE 3.27Å; T33-M174 WeakPolarHBondContact O-CE 3.44Å; T33-E201 HydrophobicContact CG2-CB 4.19Å; T33-E201 HydrophobicContact CG2-CG 4.35Å; T33-N205 PolarHBondContact O-ND2 3.18Å
34	S	80.8	Confident	74.7	Confident	33 Å²	33	81.1 Å²	81.1	23%	0.231	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.1	172.5	84.9	0	0	0	0	114	D32 W36 I37 K38	D32-S34 PolarHBondContact O-N 2.95Å; D32-S34 WeakPolarHBondContact OD1-CA 3.2Å; D32-S34 WeakPolarHBondContact OD1-CB 3.27Å; D32-S34 PolarHBondContact OD1-N 3.15Å; D32-S34 PolarHBondContact OD1-OG 2.99Å; D32-S34 PolarHBondContact OD2-OG 3Å; S34-W36 VanDerWaalsContact C-N 3.32Å; S34-W36 PolarHBondContact O-N 3.25Å; S34-I37 WeakPolarHBondContact O-CG2 3.35Å; S34-I37 PolarHBondContact O-N 3.2Å; S34-K38 WeakPolarHBondContact O-CB 3.33Å; S34-K38 VanDerWaalsContact O-CG 3.27Å; S34-K38 WeakPolarHBondContact O-CG 3.48Å; S34-K38 PolarHBondContact O-N 3.23Å; S34-K38 WeakPolarHBondContact OG-CE 3.34Å; S34-K38 PolarHBondContact OG-NZ 3.19Å
35	A	87.8	Confident	76.8	Confident	48 Å²	48	76.8 Å²	76.8	40%	0.397	39%	0.389	S	S	.	.	H	α-helix	trans	-57.9	-42.6	-178.8	0	0	0	0	0	112.3	D32 K38 K39	D32-A35 HydrophobicContact CB-CB 4.48Å; D32-A35 WeakPolarHBondContact O-CB 3.48Å; D32-A35 PolarHBondContact O-N 3Å; A35-K38 PolarHBondContact O-N 2.92Å; A35-K39 WeakPolarHBondContact O-CB 3.28Å; A35-K39 PolarHBondContact O-N 3.21Å
36	W	91.5	Very high	78.9	Confident	20 Å²	20	71.4 Å²	71.4	8%	0.076	38%	0.376	C	S	.	.	H	α-helix	trans	-66.6	-46.1	178.6	179.8	-116.3	0	0	0	112.5	S34 K38 K39 V40 M66 F82 R173 M174 N205	S34-W36 VanDerWaalsContact C-N 3.32Å; S34-W36 PolarHBondContact O-N 3.25Å; W36-K38 VanDerWaalsContact C-N 3.3Å; W36-K38 PolarHBondContact O-N 3.48Å; W36-K39 HydrophobicContact CE3-CB 4.35Å; W36-K39 HydrophobicContact CE3-CD 4.19Å; W36-K39 HydrophobicContact CE3-CG 4.48Å; W36-K39 HydrophobicContact CZ3-CD 3.95Å; W36-K39 HydrophobicContact CZ3-CG 4.4Å; W36-K39 WeakPolarHBondContact O-CB 3.34Å; W36-K39 PolarHBondContact O-N 2.9Å; W36-K39 VanDerWaalsContact O-N 3.11Å; W36-V40 HydrophobicContact CD2-CG2 4.11Å; W36-V40 HydrophobicContact CZ2-CG2 3.89Å; W36-V40 WeakPolarHBondContact O-CG2 3.39Å; W36-V40 PolarHBondContact O-N 2.79Å; W36-M66 HydrophobicContact CH2-SD 4.23Å; W36-M66 HydrophobicContact CZ2-CE 4.38Å; W36-M66 HydrophobicContact CZ2-SD 4.06Å; W36-F82 HydrophobicContact CH2-CE1 4.35Å; W36-F82 HydrophobicContact CH2-CZ 4.26Å; W36-R173 HydrophobicContact CE3-CG 4.33Å; W36-R173 HydrophobicContact CZ3-CG 4.44Å; W36-M174 HydrophobicContact CB-SD 3.96Å; W36-N205 VanDerWaalsContact CD1-OD1 3.3Å
37	I	93.7	Very high	81.1	Confident	9 Å²	9	68.5 Å²	68.5	5%	0.046	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-35.5	178.5	-178.1	63.2	0	0	0	111.4	S34 K39 V40 K41 L208 V209	S34-I37 WeakPolarHBondContact O-CG2 3.35Å; S34-I37 PolarHBondContact O-N 3.2Å; I37-K39 VanDerWaalsContact C-N 3.34Å; I37-V40 PolarHBondContact O-N 3.01Å; I37-K41 HydrophobicContact CD1-CD 4.47Å; I37-K41 HydrophobicContact CD1-CG 4.31Å; I37-K41 HydrophobicContact CG1-CD 4.2Å; I37-K41 HydrophobicContact CG1-CG 4.46Å; I37-K41 WeakPolarHBondContact O-CB 3.46Å; I37-K41 VanDerWaalsContact O-CG 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 2.89Å; I37-L208 HydrophobicContact CD1-CB 4.34Å; I37-L208 HydrophobicContact CG1-CB 4.16Å; I37-L208 HydrophobicContact CG2-CD1 4.46Å; I37-V209 HydrophobicContact CD1-CB 4.34Å; I37-V209 HydrophobicContact CD1-CG2 3.75Å
38	K	94.1	Very high	83.4	Confident	122 Å²	122	67.1 Å²	67.1	53%	0.53	35%	0.353	S	S	.	.	H	α-helix	trans	-60.1	-44.5	171.5	-73.5	168.9	-179.9	167.4	0	111.2	D32 S34 A35 W36 K41 S42	D32-K38 IonicContact OD1-NZ 3.36Å; D32-K38 IonicContact OD2-NZ 2.84Å; D32-K38 PolarHBondContact OD2-NZ 2.94Å; S34-K38 WeakPolarHBondContact O-CB 3.33Å; S34-K38 VanDerWaalsContact O-CG 3.27Å; S34-K38 WeakPolarHBondContact O-CG 3.48Å; S34-K38 PolarHBondContact O-N 3.23Å; S34-K38 WeakPolarHBondContact OG-CE 3.34Å; S34-K38 PolarHBondContact OG-NZ 3.19Å; A35-K38 PolarHBondContact O-N 2.92Å; W36-K38 VanDerWaalsContact C-N 3.3Å; W36-K38 PolarHBondContact O-N 3.48Å; K38-K41 PolarHBondContact O-N 2.92Å; K38-S42 PolarHBondContact O-N 3.29Å
39	K	93.7	Very high	85.4	Confident	72 Å²	72	63.3 Å²	63.3	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-45.8	175.7	-178.6	167.1	-179.5	166.6	0	111.9	A35 W36 I37 K41 S42 F60 E62	A35-K39 WeakPolarHBondContact O-CB 3.28Å; A35-K39 PolarHBondContact O-N 3.21Å; W36-K39 HydrophobicContact CE3-CB 4.35Å; W36-K39 HydrophobicContact CE3-CD 4.19Å; W36-K39 HydrophobicContact CE3-CG 4.48Å; W36-K39 HydrophobicContact CZ3-CD 3.95Å; W36-K39 HydrophobicContact CZ3-CG 4.4Å; W36-K39 WeakPolarHBondContact O-CB 3.34Å; W36-K39 PolarHBondContact O-N 2.9Å; W36-K39 VanDerWaalsContact O-N 3.11Å; I37-K39 VanDerWaalsContact C-N 3.34Å; K39-K41 VanDerWaalsContact C-N 3.29Å; K39-K41 PolarHBondContact O-N 2.88Å; K39-S42 PolarHBondContact O-N 3.03Å; K39-S42 PolarHBondContact O-OG 2.96Å; K39-F60 HydrophobicContact CD-CE1 4.43Å; K39-F60 HydrophobicContact CG-CD1 3.82Å; K39-F60 HydrophobicContact CG-CE1 3.65Å; K39-F60 VanDerWaalsContact O-CE1 3.28Å; K39-F60 WeakPolarHBondContact O-CE1 3.34Å; K39-E62 WeakPolarHBondContact CE-OE1 3.33Å; K39-E62 IonicContact NZ-OE1 3.91Å; K39-E62 PolarHBondContact NZ-OE1 2.98Å
40	V	95.7	Very high	87.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-39.7	176.9	173.4	0	0	0	0	111.5	W36 I37 S42 A43 F58 M66 Y212	W36-V40 HydrophobicContact CD2-CG2 4.11Å; W36-V40 HydrophobicContact CZ2-CG2 3.89Å; W36-V40 WeakPolarHBondContact O-CG2 3.39Å; W36-V40 PolarHBondContact O-N 2.79Å; I37-V40 PolarHBondContact O-N 3.01Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 3.41Å; V40-A43 PolarHBondContact O-N 2.82Å; V40-F58 HydrophobicContact CG1-CD1 4.42Å; V40-F58 HydrophobicContact CG1-CE1 3.83Å; V40-F58 HydrophobicContact CG1-CZ 3.98Å; V40-M66 HydrophobicContact CG2-CE 4.43Å; V40-Y212 HydrophobicContact CG1-CD1 3.83Å; V40-Y212 HydrophobicContact CG1-CE1 3.84Å
41	K	95.6	Very high	89.3	Confident	120 Å²	120	65.4 Å²	65.4	52%	0.522	35%	0.346	S	S	.	.	H	α-helix	trans	-71.7	-20	177.4	-73.8	179.1	175.9	-177.2	0	114.3	I37 K38 K39 A43 Y212	I37-K41 HydrophobicContact CD1-CD 4.47Å; I37-K41 HydrophobicContact CD1-CG 4.31Å; I37-K41 HydrophobicContact CG1-CD 4.2Å; I37-K41 HydrophobicContact CG1-CG 4.46Å; I37-K41 WeakPolarHBondContact O-CB 3.46Å; I37-K41 VanDerWaalsContact O-CG 3.32Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 2.89Å; K38-K41 PolarHBondContact O-N 2.92Å; K39-K41 VanDerWaalsContact C-N 3.29Å; K39-K41 PolarHBondContact O-N 2.88Å; K41-A43 VanDerWaalsContact C-N 3.32Å; K41-Y212 HydrophobicContact CG-CD1 4.12Å; K41-Y212 HydrophobicContact CG-CD2 3.94Å; K41-Y212 HydrophobicContact CG-CE1 4.15Å; K41-Y212 HydrophobicContact CG-CE2 4Å; K41-Y212 HydrophobicContact CG-CG 3.99Å
42	S	95.7	Very high	91.2	Very high	64 Å²	64	62.4 Å²	62.4	45%	0.448	34%	0.343	S	S	.	.	H	α-helix	trans	-81.7	-12.9	176	74.1	0	0	0	0	113.3	K38 K39 V40	K38-S42 PolarHBondContact O-N 3.29Å; K39-S42 PolarHBondContact O-N 3.03Å; K39-S42 PolarHBondContact O-OG 2.96Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 3.41Å
43	A	97	Very high	92.5	Very high	7 Å²	7	62.8 Å²	62.8	6%	0.058	34%	0.34	C	S	.	.	S	Bend	trans	-77.4	144.9	177.5	0	0	0	0	0	112.1	V40 K41 A45 F58 L59 F60	V40-A43 PolarHBondContact O-N 2.82Å; K41-A43 VanDerWaalsContact C-N 3.32Å; A43-A45 PolarHBondContact O-N 2.87Å; A43-F58 HydrophobicContact CB-CB 3.88Å; A43-F58 HydrophobicContact CB-CD1 4.01Å; A43-F58 HydrophobicContact CB-CG 4.41Å; A43-L59 CarbonylContact C-O 3.56Å; A43-L59 WeakPolarHBondContact CA-O 3.36Å; A43-F60 HydrophobicContact CB-CD1 3.7Å; A43-F60 HydrophobicContact CB-CE1 3.85Å; A43-F60 HydrophobicContact CB-CG 4.08Å; A43-F60 HydrophobicContact CB-CZ 4.37Å
44	K	97.1	Very high	93.9	Very high	164 Å²	164	62.2 Å²	62.2	71%	0.713	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.9	163.2	-66.3	-178.8	-179.5	179.6	0	108	F58 L59	K44-F58 CarbonylContact O-C 3.59Å; K44-F58 WeakPolarHBondContact O-CA 3.2Å; K44-L59 HydrophobicContact CB-CB 4.43Å; K44-L59 PolarHBondContact N-O 2.85Å; K44-L59 PolarHBondContact O-N 2.9Å
45	A	97.5	Very high	94.7	Very high	35 Å²	35	63.4 Å²	63.4	29%	0.289	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.7	-177.7	0	0	0	0	0	111.2	A43 V56 H57 F58 L216	A43-A45 PolarHBondContact O-N 2.87Å; A45-V56 HydrophobicContact CB-CG1 4.3Å; A45-H57 CarbonylContact C-O 3.6Å; A45-H57 VanDerWaalsContact CA-O 3.3Å; A45-H57 WeakPolarHBondContact CA-O 3.48Å; A45-F58 HydrophobicContact CB-CD1 3.88Å; A45-F58 HydrophobicContact CB-CE1 3.89Å; A45-L216 HydrophobicContact CB-CD1 3.65Å; A45-L216 HydrophobicContact CB-CD2 3.98Å; A45-L216 HydrophobicContact CB-CG 4.47Å
46	T	97.3	Very high	95.2	Very high	70 Å²	70	61.1 Å²	61.1	43%	0.429	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.6	171.2	-56.3	0	0	0	0	108.2	V56 H57 V219	T46-V56 WeakPolarHBondContact O-CA 3.06Å; T46-H57 PolarHBondContact N-O 2.86Å; T46-H57 PolarHBondContact O-N 3.18Å; T46-V219 HydrophobicContact CG2-CG2 3.61Å
47	V	97.4	Very high	95.5	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.3	-176.8	-179.7	0	0	0	0	110.3	R54 K55 V56 L216 P218 V219	V47-R54 HydrophobicContact CG1-CG 3.73Å; V47-K55 WeakPolarHBondContact CA-O 3.32Å; V47-V56 HydrophobicContact CG2-CG1 4.07Å; V47-V56 HydrophobicContact CG2-CG2 4.16Å; V47-L216 HydrophobicContact CG2-CB 3.47Å; V47-L216 VanDerWaalsContact CG2-CB 3.47Å; V47-L216 HydrophobicContact CG2-CD1 3.84Å; V47-L216 HydrophobicContact CG2-CG 4.31Å; V47-P218 HydrophobicContact CG1-CB 4.46Å; V47-P218 HydrophobicContact CG1-CG 4.35Å; V47-P218 WeakPolarHBondContact O-CA 3.48Å; V47-V219 PolarHBondContact O-N 3.45Å
48	I	96.3	Very high	95.7	Very high	61 Å²	61	63.2 Å²	63.2	31%	0.313	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.1	172.3	-58.9	170.8	0	0	0	106.9	K55	I48-K55 HydrophobicContact CB-CB 4.46Å; I48-K55 PolarHBondContact N-O 2.83Å; I48-K55 PolarHBondContact O-N 3.17Å
49	T	94.4	Very high	95.8	Very high	53 Å²	53	61.1 Å²	61.1	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.4	175.3	-54.9	0	0	0	0	108.4	K53 L72	T49-K53 WeakPolarHBondContact CA-O 3.37Å; T49-L72 HydrophobicContact CG2-CD1 3.47Å; T49-L72 VanDerWaalsContact CG2-CD1 3.47Å; T49-L72 HydrophobicContact CG2-CD2 4.02Å; T49-L72 HydrophobicContact CG2-CG 4.26Å
50	E	91.5	Very high	95.9	Very high	104 Å²	104	57.9 Å²	57.9	49%	0.486	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	143.1	-173	-174.3	179	-156.8	0	0	108.8	G52 K53	E50-G52 VanDerWaalsContact C-N 3.3Å; E50-G52 PolarHBondContact O-N 3.11Å; E50-G52 VanDerWaalsContact O-N 3.16Å; E50-K53 PolarHBondContact N-O 2.88Å; E50-K53 WeakPolarHBondContact O-CA 3.32Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 3.02Å; E50-K53 VanDerWaalsContact O-O 3.1Å
51	D	90	Very high	95.8	Very high	142 Å²	142	62.9 Å²	62.9	76%	0.759	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	42.4	174.8	-60.7	-25.6	0	0	0	115.3	K53	D51-K53 PolarHBondContact O-N 2.96Å
52	G	93.2	Very high	95.5	Very high	44 Å²	44	62.3 Å²	62.3	45%	0.454	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	10.1	-179.4	0	0	0	0	0	114.2	E50 L72	E50-G52 VanDerWaalsContact C-N 3.3Å; E50-G52 PolarHBondContact O-N 3.11Å; E50-G52 VanDerWaalsContact O-N 3.16Å; G52-L72 VanDerWaalsContact C-CD1 3.41Å; G52-L72 WeakPolarHBondContact O-CB 3.26Å; G52-L72 VanDerWaalsContact O-CG 3.23Å; G52-L72 WeakPolarHBondContact O-CG 3.21Å; G52-L72 PolarHBondContact O-N 2.81Å
53	K	95.4	Very high	95.3	Very high	89 Å²	89	60.4 Å²	60.4	39%	0.387	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.8	-178.5	-62	173.2	-172.9	171.7	0	111.3	T49 E50 D51 Y70 L78	T49-K53 WeakPolarHBondContact CA-O 3.37Å; E50-K53 PolarHBondContact N-O 2.88Å; E50-K53 WeakPolarHBondContact O-CA 3.32Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 3.02Å; E50-K53 VanDerWaalsContact O-O 3.1Å; D51-K53 PolarHBondContact O-N 2.96Å; K53-Y70 CarbonylContact C-O 3.57Å; K53-Y70 VanDerWaalsContact CA-O 3.29Å; K53-Y70 WeakPolarHBondContact CA-O 3.37Å; K53-L78 HydrophobicContact CD-CD1 4.09Å; K53-L78 HydrophobicContact CG-CD1 4.03Å
54	R	96.3	Very high	95.2	Very high	47 Å²	47	61.7 Å²	61.7	18%	0.177	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.1	168	-176.3	-179.8	-61.1	-156.8	0.4	109	V47 V56 E69 Y70 L72 V213	V47-R54 HydrophobicContact CG1-CG 3.73Å; R54-V56 HydrophobicContact CG-CG2 4.14Å; R54-E69 CarbonylContact O-C 3.54Å; R54-E69 WeakPolarHBondContact O-CA 3.35Å; R54-Y70 PolarHBondContact N-O 2.84Å; R54-Y70 PolarHBondContact O-N 2.88Å; R54-L72 HydrophobicContact CB-CD2 3.79Å; R54-V213 PolarHBondContact NH1-O 3.32Å
55	K	97.3	Very high	95.2	Very high	58 Å²	58	55.2 Å²	55.2	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.1	174.2	-176.7	-178.6	-70.8	155.4	0	109.2	V47 I48 V67 E68 E69	V47-K55 WeakPolarHBondContact CA-O 3.32Å; I48-K55 HydrophobicContact CB-CB 4.46Å; I48-K55 PolarHBondContact N-O 2.83Å; I48-K55 PolarHBondContact O-N 3.17Å; K55-V67 HydrophobicContact CD-CG1 4.42Å; K55-V67 HydrophobicContact CG-CG1 3.94Å; K55-E68 CarbonylContact C-O 3.53Å; K55-E68 WeakPolarHBondContact CA-O 3.48Å; K55-E69 HydrophobicContact CB-CG 4.24Å; K55-E69 WeakPolarHBondContact CE-OE1 3.47Å; K55-E69 HydrophobicContact CG-CG 4.08Å; K55-E69 IonicContact NZ-OE1 3.08Å
56	V	97.9	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.3	177.8	-167.5	0	0	0	0	109	A45 T46 V47 R54 F58 V67 E68 Y70 V213 L216	A45-V56 HydrophobicContact CB-CG1 4.3Å; T46-V56 WeakPolarHBondContact O-CA 3.06Å; V47-V56 HydrophobicContact CG2-CG1 4.07Å; V47-V56 HydrophobicContact CG2-CG2 4.16Å; R54-V56 HydrophobicContact CG-CG2 4.14Å; V56-F58 HydrophobicContact CB-CD2 4.44Å; V56-F58 HydrophobicContact CB-CE2 3.77Å; V56-F58 HydrophobicContact CB-CZ 4Å; V56-F58 HydrophobicContact CG1-CD1 4.24Å; V56-F58 HydrophobicContact CG1-CD2 4.02Å; V56-F58 HydrophobicContact CG1-CE1 3.68Å; V56-F58 HydrophobicContact CG1-CE2 3.45Å; V56-F58 VanDerWaalsContact CG1-CE2 3.45Å; V56-F58 HydrophobicContact CG1-CG 4.4Å; V56-F58 HydrophobicContact CG1-CZ 3.28Å; V56-V67 WeakPolarHBondContact O-CA 3.43Å; V56-E68 PolarHBondContact N-O 2.93Å; V56-E68 PolarHBondContact O-N 3.06Å; V56-Y70 HydrophobicContact CG2-CD2 4.39Å; V56-Y70 HydrophobicContact CG2-CE2 4.38Å; V56-V213 HydrophobicContact CG2-CG1 3.81Å; V56-V213 HydrophobicContact CG2-CG2 4.49Å; V56-L216 HydrophobicContact CG1-CD1 3.83Å
57	H	98	Very high	95.3	Very high	71 Å²	71	50.3 Å²	50.3	33%	0.329	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119	171.5	-82.1	-141.9	0	0	0	109.1	A45 T46 V67	A45-H57 CarbonylContact C-O 3.6Å; A45-H57 VanDerWaalsContact CA-O 3.3Å; A45-H57 WeakPolarHBondContact CA-O 3.48Å; T46-H57 PolarHBondContact N-O 2.86Å; T46-H57 PolarHBondContact O-N 3.18Å; H57-V67 HydrophobicContact CB-CG2 4.48Å; H57-V67 WeakPolarHBondContact CD2-CG2 3.29Å; H57-V67 VanDerWaalsContact NE2-CG2 3.34Å; H57-V67 WeakPolarHBondContact NE2-CG2 3.4Å
58	F	98	Very high	95.3	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.8	174	-60.9	-79.9	0	0	0	110.1	V40 A43 K44 A45 V56 F60 Q65 M66 E68 Y212 V213 L216	V40-F58 HydrophobicContact CG1-CD1 4.42Å; V40-F58 HydrophobicContact CG1-CE1 3.83Å; V40-F58 HydrophobicContact CG1-CZ 3.98Å; A43-F58 HydrophobicContact CB-CB 3.88Å; A43-F58 HydrophobicContact CB-CD1 4.01Å; A43-F58 HydrophobicContact CB-CG 4.41Å; K44-F58 CarbonylContact O-C 3.59Å; K44-F58 WeakPolarHBondContact O-CA 3.2Å; A45-F58 HydrophobicContact CB-CD1 3.88Å; A45-F58 HydrophobicContact CB-CE1 3.89Å; V56-F58 HydrophobicContact CB-CD2 4.44Å; V56-F58 HydrophobicContact CB-CE2 3.77Å; V56-F58 HydrophobicContact CB-CZ 4Å; V56-F58 HydrophobicContact CG1-CD1 4.24Å; V56-F58 HydrophobicContact CG1-CD2 4.02Å; V56-F58 HydrophobicContact CG1-CE1 3.68Å; V56-F58 HydrophobicContact CG1-CE2 3.45Å; V56-F58 VanDerWaalsContact CG1-CE2 3.45Å; V56-F58 HydrophobicContact CG1-CG 4.4Å; V56-F58 HydrophobicContact CG1-CZ 3.28Å; F58-F60 HydrophobicContact CB-CE2 4.08Å; F58-F60 HydrophobicContact CB-CZ 4.27Å; F58-Q65 CarbonylContact O-C 3.51Å; F58-Q65 VanDerWaalsContact O-CA 3.29Å; F58-Q65 WeakPolarHBondContact O-CA 3.47Å; F58-M66 HydrophobicContact CB-CB 4.25Å; F58-M66 HydrophobicContact CB-CE 4.39Å; F58-M66 HydrophobicContact CD2-CB 4.46Å; F58-M66 HydrophobicContact CD2-CE 3.26Å; F58-M66 HydrophobicContact CD2-CG 4.48Å; F58-M66 HydrophobicContact CE2-CE 3.57Å; F58-M66 HydrophobicContact CG-CE 3.93Å; F58-M66 HydrophobicContact CZ-CE 4.46Å; F58-M66 PolarHBondContact N-O 2.82Å; F58-M66 PolarHBondContact O-N 2.66Å; F58-E68 HydrophobicContact CE2-CG 4.42Å; F58-E68 WeakPolarHBondContact CE2-OE2 3.16Å; F58-Y212 HydrophobicContact CE1-CE1 4.01Å; F58-V213 HydrophobicContact CZ-CG2 4.14Å; F58-L216 HydrophobicContact CE1-CD1 4.4Å
59	L	97.3	Very high	95.3	Very high	78 Å²	78	48.8 Å²	48.8	41%	0.408	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.9	168	175.4	65.2	0	0	0	108.7	A43 K44 Q65	A43-L59 CarbonylContact C-O 3.56Å; A43-L59 WeakPolarHBondContact CA-O 3.36Å; K44-L59 HydrophobicContact CB-CB 4.43Å; K44-L59 PolarHBondContact N-O 2.85Å; K44-L59 PolarHBondContact O-N 2.9Å; L59-Q65 HydrophobicContact CD1-CG 3.62Å
60	F	96.1	Very high	95.4	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	25%	0.249	C	C	.	.			trans	-79.7	155.9	179.3	-62.1	-88	0	0	0	111.3	K39 A43 F58 E62 G63 L64 M66	K39-F60 HydrophobicContact CD-CE1 4.43Å; K39-F60 HydrophobicContact CG-CD1 3.82Å; K39-F60 HydrophobicContact CG-CE1 3.65Å; K39-F60 VanDerWaalsContact O-CE1 3.28Å; K39-F60 WeakPolarHBondContact O-CE1 3.34Å; A43-F60 HydrophobicContact CB-CD1 3.7Å; A43-F60 HydrophobicContact CB-CE1 3.85Å; A43-F60 HydrophobicContact CB-CG 4.08Å; A43-F60 HydrophobicContact CB-CZ 4.37Å; F58-F60 HydrophobicContact CB-CE2 4.08Å; F58-F60 HydrophobicContact CB-CZ 4.27Å; F60-E62 HydrophobicContact CB-CG 4.42Å; F60-E62 VanDerWaalsContact CB-OE2 3.28Å; F60-E62 WeakPolarHBondContact CB-OE2 3.39Å; F60-E62 PolarHBondContact O-N 3.04Å; F60-G63 PolarHBondContact O-N 3.41Å; F60-L64 HydrophobicContact CB-CB 4.25Å; F60-L64 HydrophobicContact CD2-CB 4.06Å; F60-L64 HydrophobicContact CD2-CD2 4Å; F60-L64 HydrophobicContact CD2-CG 3.98Å; F60-L64 WeakPolarHBondContact CD2-O 3.46Å; F60-L64 HydrophobicContact CE2-CD2 4.27Å; F60-L64 HydrophobicContact CE2-CG 4.48Å; F60-L64 PolarHBondContact N-O 3.32Å; F60-M66 HydrophobicContact CE2-CB 3.68Å; F60-M66 HydrophobicContact CE2-CE 4.49Å; F60-M66 HydrophobicContact CZ-CB 4.38Å; F60-M66 HydrophobicContact CZ-CE 4.05Å
61	P	92.6	Very high	95.5	Very high	105 Å²	105	43.9 Å²	43.9	68%	0.682	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.7	-179.5	-27.2	36.2	0	0	0	114.7	G63	P61-G63 PolarHBondContact O-N 3.4Å
62	E	90.1	Very high	95.7	Very high	107 Å²	107	39.8 Å²	39.8	50%	0.5	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	0	177.1	68	-90.2	-153.6	0	0	114.2	K39 F60 L64	K39-E62 WeakPolarHBondContact CE-OE1 3.33Å; K39-E62 IonicContact NZ-OE1 3.91Å; K39-E62 PolarHBondContact NZ-OE1 2.98Å; F60-E62 HydrophobicContact CB-CG 4.42Å; F60-E62 VanDerWaalsContact CB-OE2 3.28Å; F60-E62 WeakPolarHBondContact CB-OE2 3.39Å; F60-E62 PolarHBondContact O-N 3.04Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 HydrophobicContact CG-CB 3.82Å; E62-L64 PolarHBondContact O-N 3.17Å
63	G	90.5	Very high	95.7	Very high	25 Å²	25	42.4 Å²	42.4	26%	0.258	23%	0.226	S	C	.	.	S	Bend	trans	85.1	-2.6	-177.9	0	0	0	0	0	114.7	F60 P61	F60-G63 PolarHBondContact O-N 3.41Å; P61-G63 PolarHBondContact O-N 3.4Å
64	L	94.8	Very high	95.6	Very high	33 Å²	33	41.5 Å²	41.5	17%	0.173	23%	0.228	C	C	.	.			trans	-59.8	137.7	167	-179.9	69	0	0	0	109	F60 E62 F82 S84	F60-L64 HydrophobicContact CB-CB 4.25Å; F60-L64 HydrophobicContact CD2-CB 4.06Å; F60-L64 HydrophobicContact CD2-CD2 4Å; F60-L64 HydrophobicContact CD2-CG 3.98Å; F60-L64 WeakPolarHBondContact CD2-O 3.46Å; F60-L64 HydrophobicContact CE2-CD2 4.27Å; F60-L64 HydrophobicContact CE2-CG 4.48Å; F60-L64 PolarHBondContact N-O 3.32Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 HydrophobicContact CG-CB 3.82Å; E62-L64 PolarHBondContact O-N 3.17Å; L64-F82 HydrophobicContact CD1-CB 4.39Å; L64-F82 HydrophobicContact CD1-CD1 4.14Å; L64-F82 HydrophobicContact CD2-CD1 4.15Å; L64-F82 HydrophobicContact CD2-CE1 4.42Å; L64-F82 HydrophobicContact CG-CD1 4.27Å; L64-S84 WeakPolarHBondContact CD1-OG 3.4Å
65	Q	97.5	Very high	95.3	Very high	29 Å²	29	43.9 Å²	43.9	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.1	172.8	-69.4	174.5	56.9	0	0	109.8	F58 L59 F82 R83 W94	F58-Q65 CarbonylContact O-C 3.51Å; F58-Q65 VanDerWaalsContact O-CA 3.29Å; F58-Q65 WeakPolarHBondContact O-CA 3.47Å; L59-Q65 HydrophobicContact CD1-CG 3.62Å; Q65-F82 CarbonylContact O-C 3.58Å; Q65-F82 VanDerWaalsContact O-CA 3.25Å; Q65-F82 WeakPolarHBondContact O-CA 3.31Å; Q65-R83 HydrophobicContact CB-CG 3.86Å; Q65-R83 PolarHBondContact N-O 2.9Å; Q65-R83 PolarHBondContact O-N 2.95Å; Q65-R83 VanDerWaalsContact OE1-CZ 3.31Å; Q65-W94 HydrophobicContact CB-CH2 4.04Å; Q65-W94 HydrophobicContact CB-CZ3 4.41Å
66	M	97.9	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.1	173.2	179.6	178.1	74.2	0	0	109.3	W36 V40 F58 F60 E68 R80 K81 F82	W36-M66 HydrophobicContact CH2-SD 4.23Å; W36-M66 HydrophobicContact CZ2-CE 4.38Å; W36-M66 HydrophobicContact CZ2-SD 4.06Å; V40-M66 HydrophobicContact CG2-CE 4.43Å; F58-M66 HydrophobicContact CB-CB 4.25Å; F58-M66 HydrophobicContact CB-CE 4.39Å; F58-M66 HydrophobicContact CD2-CB 4.46Å; F58-M66 HydrophobicContact CD2-CE 3.26Å; F58-M66 HydrophobicContact CD2-CG 4.48Å; F58-M66 HydrophobicContact CE2-CE 3.57Å; F58-M66 HydrophobicContact CG-CE 3.93Å; F58-M66 HydrophobicContact CZ-CE 4.46Å; F58-M66 PolarHBondContact N-O 2.82Å; F58-M66 PolarHBondContact O-N 2.66Å; F60-M66 HydrophobicContact CE2-CB 3.68Å; F60-M66 HydrophobicContact CE2-CE 4.49Å; F60-M66 HydrophobicContact CZ-CB 4.38Å; F60-M66 HydrophobicContact CZ-CE 4.05Å; M66-E68 HydrophobicContact CE-CG 4.09Å; M66-E68 HydrophobicContact CG-CG 4.16Å; M66-E68 HydrophobicContact SD-CG 4.19Å; M66-R80 HydrophobicContact CG-CG 4.21Å; M66-R80 HydrophobicContact SD-CG 4.22Å; M66-K81 CarbonylContact C-O 3.51Å; M66-K81 VanDerWaalsContact CA-O 3.31Å; M66-K81 WeakPolarHBondContact CA-O 3.4Å; M66-F82 HydrophobicContact CB-CD1 3.72Å; M66-F82 HydrophobicContact CB-CE1 3.6Å; M66-F82 HydrophobicContact CB-CZ 4.36Å; M66-F82 HydrophobicContact CG-CD1 3.95Å; M66-F82 HydrophobicContact CG-CE1 3.52Å; M66-F82 HydrophobicContact CG-CE2 4.38Å; M66-F82 HydrophobicContact CG-CZ 3.76Å; M66-F82 HydrophobicContact SD-CD1 4.37Å; M66-F82 HydrophobicContact SD-CE1 3.37Å; M66-F82 WeakPolarHBondContact SD-CE1 3.36Å; M66-F82 HydrophobicContact SD-CE2 4.29Å; M66-F82 HydrophobicContact SD-CZ 3.32Å; M66-F82 WeakPolarHBondContact SD-CZ 3.14Å
67	V	97.9	Very high	95	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.8	171	177.4	0	0	0	0	108.2	K55 V56 H57 R80 K81 W94	K55-V67 HydrophobicContact CD-CG1 4.42Å; K55-V67 HydrophobicContact CG-CG1 3.94Å; V56-V67 WeakPolarHBondContact O-CA 3.43Å; H57-V67 HydrophobicContact CB-CG2 4.48Å; H57-V67 WeakPolarHBondContact CD2-CG2 3.29Å; H57-V67 VanDerWaalsContact NE2-CG2 3.34Å; H57-V67 WeakPolarHBondContact NE2-CG2 3.4Å; V67-R80 WeakPolarHBondContact O-CA 3.23Å; V67-K81 HydrophobicContact CB-CG 3.93Å; V67-K81 PolarHBondContact N-O 3.44Å; V67-K81 PolarHBondContact O-N 2.73Å; V67-W94 HydrophobicContact CB-CH2 4.33Å; V67-W94 HydrophobicContact CB-CZ3 4.35Å; V67-W94 HydrophobicContact CG2-CH2 3.33Å; V67-W94 HydrophobicContact CG2-CZ2 3.89Å; V67-W94 HydrophobicContact CG2-CZ3 3.79Å
68	E	97.5	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.2	173.5	-67.4	-177.7	144.2	0	0	110	K55 V56 F58 M66 Y70 L77 T79 R80	K55-E68 CarbonylContact C-O 3.53Å; K55-E68 WeakPolarHBondContact CA-O 3.48Å; V56-E68 PolarHBondContact N-O 2.93Å; V56-E68 PolarHBondContact O-N 3.06Å; F58-E68 HydrophobicContact CE2-CG 4.42Å; F58-E68 WeakPolarHBondContact CE2-OE2 3.16Å; M66-E68 HydrophobicContact CE-CG 4.09Å; M66-E68 HydrophobicContact CG-CG 4.16Å; M66-E68 HydrophobicContact SD-CG 4.19Å; E68-Y70 HydrophobicContact CB-CD2 4.25Å; E68-Y70 HydrophobicContact CB-CE2 3.51Å; E68-Y70 HydrophobicContact CG-CE2 4.44Å; E68-Y70 WeakPolarHBondContact OE2-CE2 3.49Å; E68-Y70 PolarHBondContact OE2-OH 3.31Å; E68-L77 HydrophobicContact CB-CD1 3.86Å; E68-L77 HydrophobicContact CG-CD1 3.99Å; E68-T79 VanDerWaalsContact CA-O 3.3Å; E68-T79 WeakPolarHBondContact CA-O 3.42Å; E68-R80 HydrophobicContact CG-CB 4.21Å; E68-R80 HydrophobicContact CG-CG 3.98Å; E68-R80 IonicContact OE1-CZ 2.8Å; E68-R80 IonicContact OE1-NE 3.51Å; E68-R80 PolarHBondContact OE1-NE 2.75Å; E68-R80 IonicContact OE1-NH2 3.84Å; E68-R80 PolarHBondContact OE1-NH2 2.83Å
69	E	96.8	Very high	94.8	Very high	31 Å²	31	45.2 Å²	45.2	15%	0.145	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.1	170.9	-64.3	175.2	170.2	0	0	109.1	R54 K55 L78 T79	R54-E69 CarbonylContact O-C 3.54Å; R54-E69 WeakPolarHBondContact O-CA 3.35Å; K55-E69 HydrophobicContact CB-CG 4.24Å; K55-E69 WeakPolarHBondContact CE-OE1 3.47Å; K55-E69 HydrophobicContact CG-CG 4.08Å; K55-E69 IonicContact NZ-OE1 3.08Å; E69-L78 WeakPolarHBondContact O-CB 3.48Å; E69-L78 PolarHBondContact O-N 3.37Å; E69-T79 WeakPolarHBondContact CB-OG1 3.32Å; E69-T79 VanDerWaalsContact CD-OG1 3.3Å; E69-T79 WeakPolarHBondContact CG-OG1 3.25Å; E69-T79 PolarHBondContact N-O 3.31Å; E69-T79 PolarHBondContact O-N 2.97Å; E69-T79 PolarHBondContact OE2-OG1 3.03Å
70	Y	96.3	Very high	94.8	Very high	13 Å²	13	42 Å²	42	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.6	178.9	-63.7	-89.8	0	0	0	109.9	K53 R54 V56 E68 N76 L77 R210 V213	K53-Y70 CarbonylContact C-O 3.57Å; K53-Y70 VanDerWaalsContact CA-O 3.29Å; K53-Y70 WeakPolarHBondContact CA-O 3.37Å; R54-Y70 PolarHBondContact N-O 2.84Å; R54-Y70 PolarHBondContact O-N 2.88Å; V56-Y70 HydrophobicContact CG2-CD2 4.39Å; V56-Y70 HydrophobicContact CG2-CE2 4.38Å; E68-Y70 HydrophobicContact CB-CD2 4.25Å; E68-Y70 HydrophobicContact CB-CE2 3.51Å; E68-Y70 HydrophobicContact CG-CE2 4.44Å; E68-Y70 WeakPolarHBondContact OE2-CE2 3.49Å; E68-Y70 PolarHBondContact OE2-OH 3.31Å; Y70-N76 VanDerWaalsContact CA-O 3.31Å; Y70-N76 WeakPolarHBondContact CA-O 3.27Å; Y70-L77 HydrophobicContact CD1-CB 4.32Å; Y70-L77 HydrophobicContact CD1-CD1 4.28Å; Y70-L77 HydrophobicContact CE1-CB 4.06Å; Y70-L77 HydrophobicContact CE1-CD1 3.8Å; Y70-L77 HydrophobicContact CE2-CD1 4.31Å; Y70-R210 HydrophobicContact CE1-CG 4.48Å; Y70-V213 HydrophobicContact CD2-CG1 4.25Å; Y70-V213 HydrophobicContact CE2-CG1 4.19Å; Y70-V213 HydrophobicContact CE2-CG2 4.21Å
71	D	95	Very high	94.9	Very high	40 Å²	40	43.2 Å²	43.2	21%	0.214	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131	166.8	-176	-96.8	0	0	0	110	S73 T74 H75 N76 L78	D71-S73 VanDerWaalsContact C-N 3.3Å; D71-S73 PolarHBondContact O-N 2.84Å; D71-S73 WeakPolarHBondContact OD1-CA 3.27Å; D71-S73 WeakPolarHBondContact OD1-CB 3.39Å; D71-S73 PolarHBondContact OD1-N 3.23Å; D71-S73 PolarHBondContact OD1-OG 2.93Å; D71-T74 VanDerWaalsContact CB-OG1 3.28Å; D71-T74 WeakPolarHBondContact CB-OG1 3.36Å; D71-T74 PolarHBondContact OD1-N 2.86Å; D71-T74 PolarHBondContact OD1-OG1 3.37Å; D71-H75 WeakPolarHBondContact O-CA 3.45Å; D71-H75 PolarHBondContact O-N 3.24Å; D71-N76 PolarHBondContact N-O 3.48Å; D71-L78 HydrophobicContact CB-CD1 4.05Å; D71-L78 HydrophobicContact CB-CD2 4.2Å; D71-L78 HydrophobicContact CB-CG 4.18Å
72	L	93.4	Very high	95.1	Very high	56 Å²	56	39.6 Å²	39.6	29%	0.293	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.8	-177.8	-75.5	173.6	0	0	0	113.2	T49 G52 R54 H75	T49-L72 HydrophobicContact CG2-CD1 3.47Å; T49-L72 VanDerWaalsContact CG2-CD1 3.47Å; T49-L72 HydrophobicContact CG2-CD2 4.02Å; T49-L72 HydrophobicContact CG2-CG 4.26Å; G52-L72 VanDerWaalsContact C-CD1 3.41Å; G52-L72 WeakPolarHBondContact O-CB 3.26Å; G52-L72 VanDerWaalsContact O-CG 3.23Å; G52-L72 WeakPolarHBondContact O-CG 3.21Å; G52-L72 PolarHBondContact O-N 2.81Å; R54-L72 HydrophobicContact CB-CD2 3.79Å; L72-H75 PolarHBondContact O-CE1 3.03Å; L72-H75 PolarHBondContact O-ND1 3.24Å
73	S	93.7	Very high	95.4	Very high	99 Å²	99	37 Å²	37	69%	0.692	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-41.4	-174.4	72.6	0	0	0	0	112.5	D71	D71-S73 VanDerWaalsContact C-N 3.3Å; D71-S73 PolarHBondContact O-N 2.84Å; D71-S73 WeakPolarHBondContact OD1-CA 3.27Å; D71-S73 WeakPolarHBondContact OD1-CB 3.39Å; D71-S73 PolarHBondContact OD1-N 3.23Å; D71-S73 PolarHBondContact OD1-OG 2.93Å
74	T	91.8	Very high	95.6	Very high	70 Å²	70	38.7 Å²	38.7	43%	0.429	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-15.3	-175.5	62.9	0	0	0	0	113.1	D71 N76	D71-T74 VanDerWaalsContact CB-OG1 3.28Å; D71-T74 WeakPolarHBondContact CB-OG1 3.36Å; D71-T74 PolarHBondContact OD1-N 2.86Å; D71-T74 PolarHBondContact OD1-OG1 3.37Å; T74-N76 PolarHBondContact O-N 3.47Å; T74-N76 VanDerWaalsContact O-N 3.13Å; T74-N76 PolarHBondContact OG1-N 2.96Å; T74-N76 PolarHBondContact OG1-ND2 2.94Å
75	H	91.4	Very high	95.4	Very high	98 Å²	98	42.7 Å²	42.7	45%	0.454	22%	0.224	S	C	.	.			trans	57.3	18.5	-172.9	-52.7	-52.2	0	0	0	114.3	D71 L72 R210	D71-H75 WeakPolarHBondContact O-CA 3.45Å; D71-H75 PolarHBondContact O-N 3.24Å; L72-H75 PolarHBondContact O-CE1 3.03Å; L72-H75 PolarHBondContact O-ND1 3.24Å; H75-R210 WeakPolarHBondContact O-CD 3.28Å
76	N	92.7	Very high	95.2	Very high	52 Å²	52	44.3 Å²	44.3	28%	0.278	24%	0.237	S	C	.	.			trans	-74.8	141.2	175.9	-70.5	-25	0	0	0	110.2	Y70 D71 T74 L78	Y70-N76 VanDerWaalsContact CA-O 3.31Å; Y70-N76 WeakPolarHBondContact CA-O 3.27Å; D71-N76 PolarHBondContact N-O 3.48Å; T74-N76 PolarHBondContact O-N 3.47Å; T74-N76 VanDerWaalsContact O-N 3.13Å; T74-N76 PolarHBondContact OG1-N 2.96Å; T74-N76 PolarHBondContact OG1-ND2 2.94Å; N76-L78 PolarHBondContact O-N 3.13Å
77	L	95.4	Very high	94.8	Very high	31 Å²	31	51.6 Å²	51.6	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	118.7	170.7	-177.9	69.7	0	0	0	109	E68 Y70 T79 R80 V98	E68-L77 HydrophobicContact CB-CD1 3.86Å; E68-L77 HydrophobicContact CG-CD1 3.99Å; Y70-L77 HydrophobicContact CD1-CB 4.32Å; Y70-L77 HydrophobicContact CD1-CD1 4.28Å; Y70-L77 HydrophobicContact CE1-CB 4.06Å; Y70-L77 HydrophobicContact CE1-CD1 3.8Å; Y70-L77 HydrophobicContact CE2-CD1 4.31Å; L77-T79 VanDerWaalsContact CD1-O 3.31Å; L77-T79 WeakPolarHBondContact CD1-O 3.33Å; L77-R80 HydrophobicContact CD1-CB 4.39Å; L77-R80 HydrophobicContact CD2-CB 4.17Å; L77-V98 HydrophobicContact CD2-CB 4.44Å; L77-V98 HydrophobicContact CD2-CG2 4.13Å
78	L	95.4	Very high	94.5	Very high	60 Å²	60	59.5 Å²	59.5	31%	0.314	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-48.4	178.2	-61.1	178.4	0	0	0	111	K53 E69 D71 N76	K53-L78 HydrophobicContact CD-CD1 4.09Å; K53-L78 HydrophobicContact CG-CD1 4.03Å; E69-L78 WeakPolarHBondContact O-CB 3.48Å; E69-L78 PolarHBondContact O-N 3.37Å; D71-L78 HydrophobicContact CB-CD1 4.05Å; D71-L78 HydrophobicContact CB-CD2 4.2Å; D71-L78 HydrophobicContact CB-CG 4.18Å; N76-L78 PolarHBondContact O-N 3.13Å
79	T	96.8	Very high	94	Very high	17 Å²	17	61.8 Å²	61.8	10%	0.104	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.4	179.1	71.2	0	0	0	0	110.7	E68 E69 L77 V98	E68-T79 VanDerWaalsContact CA-O 3.3Å; E68-T79 WeakPolarHBondContact CA-O 3.42Å; E69-T79 WeakPolarHBondContact CB-OG1 3.32Å; E69-T79 VanDerWaalsContact CD-OG1 3.3Å; E69-T79 WeakPolarHBondContact CG-OG1 3.25Å; E69-T79 PolarHBondContact N-O 3.31Å; E69-T79 PolarHBondContact O-N 2.97Å; E69-T79 PolarHBondContact OE2-OG1 3.03Å; L77-T79 VanDerWaalsContact CD1-O 3.31Å; L77-T79 WeakPolarHBondContact CD1-O 3.33Å; T79-V98 VanDerWaalsContact CA-O 3.3Å; T79-V98 WeakPolarHBondContact CA-O 3.26Å
80	R	97.6	Very high	93.7	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.038	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.9	169	177.6	-174.4	-71.3	155.2	-4	108.1	M66 V67 E68 L77 F82 E97 V98 D170 R173	M66-R80 HydrophobicContact CG-CG 4.21Å; M66-R80 HydrophobicContact SD-CG 4.22Å; V67-R80 WeakPolarHBondContact O-CA 3.23Å; E68-R80 HydrophobicContact CG-CB 4.21Å; E68-R80 HydrophobicContact CG-CG 3.98Å; E68-R80 IonicContact OE1-CZ 2.8Å; E68-R80 IonicContact OE1-NE 3.51Å; E68-R80 PolarHBondContact OE1-NE 2.75Å; E68-R80 IonicContact OE1-NH2 3.84Å; E68-R80 PolarHBondContact OE1-NH2 2.83Å; L77-R80 HydrophobicContact CD1-CB 4.39Å; L77-R80 HydrophobicContact CD2-CB 4.17Å; R80-F82 HydrophobicContact CG-CD2 4.47Å; R80-F82 HydrophobicContact CG-CE2 3.73Å; R80-F82 HydrophobicContact CG-CZ 4.18Å; R80-E97 VanDerWaalsContact CD-OE1 3.25Å; R80-E97 WeakPolarHBondContact CD-OE1 3.49Å; R80-E97 HydrophobicContact CG-CB 4.41Å; R80-E97 IonicContact CZ-OE1 3.38Å; R80-E97 IonicContact NE-OE1 2.68Å; R80-E97 IonicContact NH1-OE1 2.71Å; R80-E97 PolarHBondContact NH1-OE1 3.09Å; R80-E97 PolarHBondContact O-N 3.43Å; R80-V98 HydrophobicContact CB-CB 4.07Å; R80-V98 HydrophobicContact CB-CG2 4.17Å; R80-V98 PolarHBondContact N-O 2.82Å; R80-V98 PolarHBondContact O-N 3.27Å; R80-D170 IonicContact CZ-OD1 2.96Å; R80-D170 IonicContact NH1-OD1 2.87Å; R80-D170 PolarHBondContact NH1-OD1 2.8Å; R80-D170 IonicContact NH1-OD2 2.87Å; R80-R173 VanDerWaalsContact NH1-NH2 3.11Å
81	K	97.7	Very high	93.4	Very high	29 Å²	29	64.8 Å²	64.8	13%	0.126	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.5	178.3	60.3	-174.8	178	-169.9	0	111.8	M66 V67 W94 E95 Y96	M66-K81 CarbonylContact C-O 3.51Å; M66-K81 VanDerWaalsContact CA-O 3.31Å; M66-K81 WeakPolarHBondContact CA-O 3.4Å; V67-K81 HydrophobicContact CB-CG 3.93Å; V67-K81 PolarHBondContact N-O 3.44Å; V67-K81 PolarHBondContact O-N 2.73Å; K81-W94 HydrophobicContact CB-CE3 4.08Å; K81-W94 HydrophobicContact CD-CB 4.13Å; K81-W94 HydrophobicContact CD-CD2 3.92Å; K81-W94 HydrophobicContact CD-CE3 3.9Å; K81-W94 HydrophobicContact CD-CG 4.05Å; K81-W94 HydrophobicContact CG-CD2 4.15Å; K81-W94 HydrophobicContact CG-CE3 3.58Å; K81-W94 HydrophobicContact CG-CZ3 4.08Å; K81-E95 CarbonylContact C-O 3.49Å; K81-E95 WeakPolarHBondContact CA-O 3.34Å; K81-E95 WeakPolarHBondContact CB-O 3.34Å; K81-Y96 HydrophobicContact CB-CD1 4.12Å; K81-Y96 HydrophobicContact CB-CD2 4.38Å; K81-Y96 HydrophobicContact CB-CE1 4.31Å; K81-Y96 HydrophobicContact CB-CG 4.15Å; K81-Y96 HydrophobicContact CD-CD1 4.42Å; K81-Y96 HydrophobicContact CD-CE1 3.78Å; K81-Y96 HydrophobicContact CD-CE2 3.99Å; K81-Y96 PolarHBondContact NZ-OH 2.73Å
82	F	97.7	Very high	93.3	Very high	29 Å²	29	63.7 Å²	63.7	13%	0.127	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.4	-179.2	-65.5	-92.5	0	0	0	111.1	W36 L64 Q65 M66 R80 W94 E95 E97	W36-F82 HydrophobicContact CH2-CE1 4.35Å; W36-F82 HydrophobicContact CH2-CZ 4.26Å; L64-F82 HydrophobicContact CD1-CB 4.39Å; L64-F82 HydrophobicContact CD1-CD1 4.14Å; L64-F82 HydrophobicContact CD2-CD1 4.15Å; L64-F82 HydrophobicContact CD2-CE1 4.42Å; L64-F82 HydrophobicContact CG-CD1 4.27Å; Q65-F82 CarbonylContact O-C 3.58Å; Q65-F82 VanDerWaalsContact O-CA 3.25Å; Q65-F82 WeakPolarHBondContact O-CA 3.31Å; M66-F82 HydrophobicContact CB-CD1 3.72Å; M66-F82 HydrophobicContact CB-CE1 3.6Å; M66-F82 HydrophobicContact CB-CZ 4.36Å; M66-F82 HydrophobicContact CG-CD1 3.95Å; M66-F82 HydrophobicContact CG-CE1 3.52Å; M66-F82 HydrophobicContact CG-CE2 4.38Å; M66-F82 HydrophobicContact CG-CZ 3.76Å; M66-F82 HydrophobicContact SD-CD1 4.37Å; M66-F82 HydrophobicContact SD-CE1 3.37Å; M66-F82 WeakPolarHBondContact SD-CE1 3.36Å; M66-F82 HydrophobicContact SD-CE2 4.29Å; M66-F82 HydrophobicContact SD-CZ 3.32Å; M66-F82 WeakPolarHBondContact SD-CZ 3.14Å; R80-F82 HydrophobicContact CG-CD2 4.47Å; R80-F82 HydrophobicContact CG-CE2 3.73Å; R80-F82 HydrophobicContact CG-CZ 4.18Å; F82-W94 VanDerWaalsContact C-CE3 3.46Å; F82-W94 WeakPolarHBondContact O-CA 3.37Å; F82-E95 PolarHBondContact N-O 2.87Å; F82-E95 PolarHBondContact O-N 2.87Å; F82-E97 HydrophobicContact CD2-CB 4.39Å; F82-E97 HydrophobicContact CE2-CB 4.2Å; F82-E97 WeakPolarHBondContact CE2-OE2 3.47Å
83	R	96.4	Very high	93.2	Very high	52 Å²	52	68.8 Å²	68.8	20%	0.196	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.4	162.8	70.7	177.5	176.3	161	7.9	110.3	Q65 D91 Q93 W94	Q65-R83 HydrophobicContact CB-CG 3.86Å; Q65-R83 PolarHBondContact N-O 2.9Å; Q65-R83 PolarHBondContact O-N 2.95Å; Q65-R83 VanDerWaalsContact OE1-CZ 3.31Å; R83-D91 IonicContact CZ-OD2 3.19Å; R83-D91 VanDerWaalsContact NH1-CG 3.34Å; R83-D91 IonicContact NH1-OD2 2.81Å; R83-D91 PolarHBondContact NH1-OD2 3.06Å; R83-D91 IonicContact NH2-OD2 2.79Å; R83-D91 PolarHBondContact NH2-OD2 3.16Å; R83-D91 VanDerWaalsContact NH2-OD2 3.08Å; R83-Q93 WeakPolarHBondContact CB-O 3.42Å; R83-W94 HydrophobicContact CB-CD2 4.09Å; R83-W94 HydrophobicContact CB-CE3 3.8Å; R83-W94 HydrophobicContact CB-CZ3 4.03Å; R83-W94 VanDerWaalsContact CD-CE2 3.44Å; R83-W94 VanDerWaalsContact CD-CZ2 3.41Å; R83-W94 HydrophobicContact CG-CD2 4.05Å; R83-W94 HydrophobicContact CG-CE3 3.81Å; R83-W94 HydrophobicContact CG-CH2 3.62Å; R83-W94 HydrophobicContact CG-CZ2 3.91Å; R83-W94 HydrophobicContact CG-CZ3 3.6Å
84	S	94.2	Very high	93.3	Very high	62 Å²	62	67.5 Å²	67.5	43%	0.434	37%	0.371	S	S	.	.			trans	-124.3	164.5	173.9	-65.1	0	0	0	0	110.3	L64 G92	L64-S84 WeakPolarHBondContact CD1-OG 3.4Å; S84-G92 VanDerWaalsContact O-CA 3.25Å; S84-G92 WeakPolarHBondContact O-CA 3.25Å; S84-G92 PolarHBondContact O-N 2.87Å
85	K	91	Very high	93.5	Very high	116 Å²	116	71.1 Å²	71.1	50%	0.504	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-64.7	142.1	169.1	-68.1	-62	-162.8	170.7	0	110.4	G89 G90 D91	K85-G89 WeakPolarHBondContact CD-O 3.4Å; K85-G89 PolarHBondContact NZ-O 2.96Å; K85-G90 CarbonylContact C-O 3.52Å; K85-G90 VanDerWaalsContact CA-O 3.28Å; K85-G90 WeakPolarHBondContact CA-O 3.38Å; K85-G90 WeakPolarHBondContact CD-O 3.47Å; K85-D91 WeakPolarHBondContact CD-OD1 3.46Å; K85-D91 WeakPolarHBondContact CE-OD1 3.44Å; K85-D91 IonicContact NZ-OD1 2.69Å; K85-D91 PolarHBondContact NZ-OD1 2.76Å
86	T	92	Very high	93.7	Very high	64 Å²	64	70.1 Å²	70.1	39%	0.393	38%	0.376	S	S	.	.			trans	-75	167.3	171.4	66.9	0	0	0	0	110.1	L88 G89 G90	T86-L88 PolarHBondContact O-N 3.06Å; T86-L88 VanDerWaalsContact O-N 3.13Å; T86-G89 PolarHBondContact O-N 3.01Å; T86-G90 PolarHBondContact N-O 3.25Å; T86-G90 PolarHBondContact OG1-N 3.17Å; T86-G90 PolarHBondContact OG1-O 3.43Å
87	V	89.9	Confident	93.9	Very high	153 Å²	153	69.1 Å²	69.1	93%	0.927	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.9	177	179.4	0	0	0	0	112.1	G89	V87-G89 VanDerWaalsContact C-N 3.27Å; V87-G89 PolarHBondContact O-N 3.16Å
88	L	91.1	Very high	94	Very high	168 Å²	168	67.6 Å²	67.6	88%	0.88	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	9.3	178.6	-58.8	177.7	0	0	0	113.4	T86 G90	T86-L88 PolarHBondContact O-N 3.06Å; T86-L88 VanDerWaalsContact O-N 3.13Å; L88-G90 PolarHBondContact O-N 2.85Å
89	G	87	Confident	94.1	Very high	48 Å²	48	65.6 Å²	65.6	50%	0.495	36%	0.355	S	S	.	.	S	Bend	trans	78.9	-2	178.9	0	0	0	0	0	115.4	K85 T86 V87	K85-G89 WeakPolarHBondContact CD-O 3.4Å; K85-G89 PolarHBondContact NZ-O 2.96Å; T86-G89 PolarHBondContact O-N 3.01Å; V87-G89 VanDerWaalsContact C-N 3.27Å; V87-G89 PolarHBondContact O-N 3.16Å
90	G	90.6	Very high	93.8	Very high	33 Å²	33	68.4 Å²	68.4	34%	0.34	37%	0.368	S	S	.	.	S	Bend	trans	-70.2	165.3	172.8	0	0	0	0	0	112.4	K85 T86 L88	K85-G90 CarbonylContact C-O 3.52Å; K85-G90 VanDerWaalsContact CA-O 3.28Å; K85-G90 WeakPolarHBondContact CA-O 3.38Å; K85-G90 WeakPolarHBondContact CD-O 3.47Å; T86-G90 PolarHBondContact N-O 3.25Å; T86-G90 PolarHBondContact OG1-N 3.17Å; T86-G90 PolarHBondContact OG1-O 3.43Å; L88-G90 PolarHBondContact O-N 2.85Å
91	D	90.7	Very high	93.3	Very high	74 Å²	74	71.3 Å²	71.3	40%	0.396	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-73.9	130.9	170.9	-77.1	-10.9	0	0	0	110.4	R83 K85	R83-D91 IonicContact CZ-OD2 3.19Å; R83-D91 VanDerWaalsContact NH1-CG 3.34Å; R83-D91 IonicContact NH1-OD2 2.81Å; R83-D91 PolarHBondContact NH1-OD2 3.06Å; R83-D91 IonicContact NH2-OD2 2.79Å; R83-D91 PolarHBondContact NH2-OD2 3.16Å; R83-D91 VanDerWaalsContact NH2-OD2 3.08Å; K85-D91 WeakPolarHBondContact CD-OD1 3.46Å; K85-D91 WeakPolarHBondContact CE-OD1 3.44Å; K85-D91 IonicContact NZ-OD1 2.69Å; K85-D91 PolarHBondContact NZ-OD1 2.76Å
92	G	92	Very high	92.4	Very high	16 Å²	16	77.4 Å²	77.4	17%	0.165	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-73.4	172.3	171.6	0	0	0	0	0	112.9	S84	S84-G92 VanDerWaalsContact O-CA 3.25Å; S84-G92 WeakPolarHBondContact O-CA 3.25Å; S84-G92 PolarHBondContact O-N 2.87Å
93	Q	93	Very high	91.1	Very high	164 Å²	164	85.1 Å²	85.1	77%	0.766	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-71.2	151.4	175.3	-65.2	-59.6	-28	0	0	111.2	R83	R83-Q93 WeakPolarHBondContact CB-O 3.42Å
94	W	95.5	Very high	89.2	Confident	71 Å²	71	92.7 Å²	92.7	27%	0.269	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-75.7	125.5	172.8	-73.6	107	0	0	0	110.6	Q65 V67 K81 F82 R83 Y96	Q65-W94 HydrophobicContact CB-CH2 4.04Å; Q65-W94 HydrophobicContact CB-CZ3 4.41Å; V67-W94 HydrophobicContact CB-CH2 4.33Å; V67-W94 HydrophobicContact CB-CZ3 4.35Å; V67-W94 HydrophobicContact CG2-CH2 3.33Å; V67-W94 HydrophobicContact CG2-CZ2 3.89Å; V67-W94 HydrophobicContact CG2-CZ3 3.79Å; K81-W94 HydrophobicContact CB-CE3 4.08Å; K81-W94 HydrophobicContact CD-CB 4.13Å; K81-W94 HydrophobicContact CD-CD2 3.92Å; K81-W94 HydrophobicContact CD-CE3 3.9Å; K81-W94 HydrophobicContact CD-CG 4.05Å; K81-W94 HydrophobicContact CG-CD2 4.15Å; K81-W94 HydrophobicContact CG-CE3 3.58Å; K81-W94 HydrophobicContact CG-CZ3 4.08Å; F82-W94 VanDerWaalsContact C-CE3 3.46Å; F82-W94 WeakPolarHBondContact O-CA 3.37Å; R83-W94 HydrophobicContact CB-CD2 4.09Å; R83-W94 HydrophobicContact CB-CE3 3.8Å; R83-W94 HydrophobicContact CB-CZ3 4.03Å; R83-W94 VanDerWaalsContact CD-CE2 3.44Å; R83-W94 VanDerWaalsContact CD-CZ2 3.41Å; R83-W94 HydrophobicContact CG-CD2 4.05Å; R83-W94 HydrophobicContact CG-CE3 3.81Å; R83-W94 HydrophobicContact CG-CH2 3.62Å; R83-W94 HydrophobicContact CG-CZ2 3.91Å; R83-W94 HydrophobicContact CG-CZ3 3.6Å; W94-Y96 HydrophobicContact CB-CE2 4.45Å
95	E	95.5	Very high	87.3	Confident	146 Å²	146	98.1 Å²	98.1	68%	0.682	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	119.8	173.5	-65.6	-180	-177.4	0	0	109.1	K81 F82	K81-E95 CarbonylContact C-O 3.49Å; K81-E95 WeakPolarHBondContact CA-O 3.34Å; K81-E95 WeakPolarHBondContact CB-O 3.34Å; F82-E95 PolarHBondContact N-O 2.87Å; F82-E95 PolarHBondContact O-N 2.87Å
96	Y	96.2	Very high	85.6	Confident	77 Å²	77	97.8 Å²	97.8	30%	0.302	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.3	179.6	-76.5	-101.9	0	0	0	110.3	K81 W94 P101	K81-Y96 HydrophobicContact CB-CD1 4.12Å; K81-Y96 HydrophobicContact CB-CD2 4.38Å; K81-Y96 HydrophobicContact CB-CE1 4.31Å; K81-Y96 HydrophobicContact CB-CG 4.15Å; K81-Y96 HydrophobicContact CD-CD1 4.42Å; K81-Y96 HydrophobicContact CD-CE1 3.78Å; K81-Y96 HydrophobicContact CD-CE2 3.99Å; K81-Y96 PolarHBondContact NZ-OH 2.73Å; W94-Y96 HydrophobicContact CB-CE2 4.45Å; Y96-P101 HydrophobicContact CD2-CB 4.29Å; Y96-P101 HydrophobicContact CD2-CG 4.46Å; Y96-P101 HydrophobicContact CE2-CB 3.65Å; Y96-P101 HydrophobicContact CE2-CG 4.29Å; Y96-P101 VanDerWaalsContact CZ-CA 3.47Å
97	E	97	Very high	83.8	Confident	31 Å²	31	101.7 Å²	101.7	15%	0.145	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-42.5	169.5	-176.9	-178.2	110	0	0	110.9	R80 F82 R123 P169 R173	R80-E97 VanDerWaalsContact CD-OE1 3.25Å; R80-E97 WeakPolarHBondContact CD-OE1 3.49Å; R80-E97 HydrophobicContact CG-CB 4.41Å; R80-E97 IonicContact CZ-OE1 3.38Å; R80-E97 IonicContact NE-OE1 2.68Å; R80-E97 IonicContact NH1-OE1 2.71Å; R80-E97 PolarHBondContact NH1-OE1 3.09Å; R80-E97 PolarHBondContact O-N 3.43Å; F82-E97 HydrophobicContact CD2-CB 4.39Å; F82-E97 HydrophobicContact CE2-CB 4.2Å; F82-E97 WeakPolarHBondContact CE2-OE2 3.47Å; E97-R123 WeakPolarHBondContact O-CD 3.5Å; E97-R123 IonicContact OE1-NH1 3.16Å; E97-P169 HydrophobicContact CG-CB 4.38Å; E97-P169 HydrophobicContact CG-CG 4.08Å; E97-P169 WeakPolarHBondContact OE2-CB 3.33Å; E97-R173 IonicContact OE1-CZ 3.92Å; E97-R173 IonicContact OE1-NH1 2.73Å; E97-R173 IonicContact OE1-NH2 3.78Å; E97-R173 PolarHBondContact OE1-NH2 3.21Å; E97-R173 IonicContact OE2-CZ 2.72Å; E97-R173 IonicContact OE2-NH1 3.76Å; E97-R173 PolarHBondContact OE2-NH1 2.72Å; E97-R173 IonicContact OE2-NH2 3.25Å; E97-R173 PolarHBondContact OE2-NH2 2.8Å
98	V	97.6	Very high	82.1	Confident	0 Å²	0	103.5 Å²	103.5	0%	0	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.6	178.8	-175.6	0	0	0	0	109	L77 T79 R80 R123	L77-V98 HydrophobicContact CD2-CB 4.44Å; L77-V98 HydrophobicContact CD2-CG2 4.13Å; T79-V98 VanDerWaalsContact CA-O 3.3Å; T79-V98 WeakPolarHBondContact CA-O 3.26Å; R80-V98 HydrophobicContact CB-CB 4.07Å; R80-V98 HydrophobicContact CB-CG2 4.17Å; R80-V98 PolarHBondContact N-O 2.82Å; R80-V98 PolarHBondContact O-N 3.27Å; V98-R123 HydrophobicContact CG2-CG 4.47Å
99	G	95.8	Very high	80.6	Confident	17 Å²	17	97.4 Å²	97.4	18%	0.175	48%	0.481	C	S	.	.	B	Isolated β-bridge	trans	80	-161.5	-175.5	0	0	0	0	0	112.6	R123	G99-R123 WeakPolarHBondContact CA-O 3.18Å; G99-R123 PolarHBondContact N-O 3.48Å
100	E	91.8	Very high	79.5	Confident	77 Å²	77	103 Å²	103	36%	0.36	49%	0.494	S	S	.	.			trans	-139.5	155	179.8	63.9	-175.6	126.7	0	0	110.1	I122	E100-I122 HydrophobicContact CB-CG1 4.49Å; E100-I122 HydrophobicContact CB-CG2 4.49Å; E100-I122 WeakPolarHBondContact OE1-CD1 3.25Å
101	P	87.3	Confident	78.5	Confident	71 Å²	71	109.3 Å²	109.3	46%	0.461	51%	0.514	S	S	.	.			trans	-59	141.6	169.5	25.6	-33.6	0	0	0	109.9	Y96 R103	Y96-P101 HydrophobicContact CD2-CB 4.29Å; Y96-P101 HydrophobicContact CD2-CG 4.46Å; Y96-P101 HydrophobicContact CE2-CB 3.65Å; Y96-P101 HydrophobicContact CE2-CG 4.29Å; Y96-P101 VanDerWaalsContact CZ-CA 3.47Å; P101-R103 PolarHBondContact O-N 2.89Å
102	L	78.6	Confident	77.8	Confident	156 Å²	156	113.5 Å²	113.5	82%	0.817	54%	0.536	S	S	*	.			trans	-55.5	115.2	162.9	-65.6	173.9	0	0	0	106.9	R104	L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.27Å
103	R	69.2	Low	77.3	Confident	191 Å²	191	120.1 Å²	120.1	72%	0.721	56%	0.564	S	S	*	*			trans	-59.9	98.6	174	-69.5	-176.5	-179.6	-173	-6.2	106.6	P101 E105	P101-R103 PolarHBondContact O-N 2.89Å; R103-E105 PolarHBondContact O-N 2.82Å
104	R	56.6	Low	76.8	Confident	212 Å²	212	119.3 Å²	119.3	80%	0.8	56%	0.56	S	S	*	*			trans	-67	122.5	160.2	-63.7	-160	-173.7	-164.7	3.1	104.2	L102 N106	L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.27Å; R104-N106 PolarHBondContact O-N 2.97Å
105	E	55.7	Low	76.5	Confident	175 Å²	175	119.2 Å²	119.2	82%	0.818	57%	0.571	S	S	*	*			trans	-54.1	95	160.9	-68.8	178.6	167.4	0	0	105.2	R103 Q107	R103-E105 PolarHBondContact O-N 2.82Å; E105-Q107 PolarHBondContact O-N 3.37Å
106	N	54.7	Low	76	Confident	109 Å²	109	117.5 Å²	117.5	58%	0.583	57%	0.572	S	S	*	*			trans	-70	88.1	175.4	-84.5	-14.7	0	0	0	104.6	R104 F108 S109	R104-N106 PolarHBondContact O-N 2.97Å; N106-F108 PolarHBondContact O-N 2.82Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 PolarHBondContact O-OG 2.99Å
107	Q	54	Low	75.8	Confident	147 Å²	147	120.5 Å²	120.5	69%	0.687	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-19.5	175	-68.6	178.5	-4.7	0	0	111.4	E105	E105-Q107 PolarHBondContact O-N 3.37Å
108	F	54.3	Low	75.6	Confident	191 Å²	191	120.1 Å²	120.1	84%	0.838	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-4.9	179.7	-61.7	-74.6	0	0	0	115.3	N106 E110	N106-F108 PolarHBondContact O-N 2.82Å; F108-E110 PolarHBondContact O-N 3.5Å; F108-E110 VanDerWaalsContact O-N 3.11Å
109	S	58.7	Low	75.5	Confident	39 Å²	39	122.6 Å²	122.6	27%	0.273	61%	0.607	S	S	.	*			trans	-86.4	44.3	175.9	72.8	0	0	0	0	111.7	N106 H111	N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 PolarHBondContact O-OG 2.99Å; S109-H111 PolarHBondContact O-N 3.08Å
110	E	64.1	Low	75.5	Confident	167 Å²	167	124 Å²	124	78%	0.78	61%	0.611	S	S	*	*			trans	-68.3	-17.4	179.7	-74.2	-169.7	148.4	0	0	113.1	F108	F108-E110 PolarHBondContact O-N 3.5Å; F108-E110 VanDerWaalsContact O-N 3.11Å
111	H	71.3	Confident	75.7	Confident	164 Å²	164	122.8 Å²	122.8	76%	0.759	60%	0.604	S	S	*	*	S	Bend	trans	-98	-35.6	-165.9	-67.3	78.8	0	0	0	114.4	S109	S109-H111 PolarHBondContact O-N 3.08Å
112	L	75.6	Confident	76.1	Confident	162 Å²	162	120.1 Å²	120.1	85%	0.848	59%	0.586	S	S	*	*			trans	-147.4	116.2	-178.9	-67.4	173.8	0	0	0	110
113	M	81	Confident	77	Confident	155 Å²	155	113.2 Å²	113.2	76%	0.764	55%	0.549	S	S	*	.			trans	-125.6	144.4	175.7	-169	179	-66.3	0	0	109.7
114	E	82.1	Confident	78.3	Confident	147 Å²	147	107.1 Å²	107.1	69%	0.687	54%	0.536	S	S	*	.			trans	-61.6	142.1	170.4	-172.1	174.7	-164.5	0	0	110.2	A118	E114-A118 HydrophobicContact CG-CB 3.72Å; E114-A118 VanDerWaalsContact OE1-CB 3.27Å; E114-A118 WeakPolarHBondContact OE1-CB 3.14Å
115	S	88.5	Confident	80.2	Confident	70 Å²	70	98.1 Å²	98.1	49%	0.49	50%	0.503	S	S	.	.			trans	-59.6	135.2	176.9	175	0	0	0	0	110.3	Q117 A118	S115-Q117 PolarHBondContact O-N 3.35Å; S115-Q117 PolarHBondContact OG-N 2.64Å; S115-A118 VanDerWaalsContact O-CB 3.26Å; S115-A118 WeakPolarHBondContact O-CB 3.35Å; S115-A118 PolarHBondContact O-N 3Å
116	P	86.6	Confident	82.1	Confident	109 Å²	109	92.4 Å²	92.4	71%	0.708	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-14.3	175	27	-35.1	0	0	0	113	N136	P116-N136 PolarHBondContact O-ND2 2.81Å
117	Q	90.9	Very high	84	Confident	140 Å²	140	90.8 Å²	90.8	65%	0.654	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-6	175.4	-59.6	-59.8	-32.9	0	0	113.3	S115 N136	S115-Q117 PolarHBondContact O-N 3.35Å; S115-Q117 PolarHBondContact OG-N 2.64Å; Q117-N136 WeakPolarHBondContact O-CB 3.42Å
118	A	93.7	Very high	86.1	Confident	24 Å²	24	93 Å²	93	20%	0.198	48%	0.478	C	S	.	.	S	Bend	trans	-64.4	140.6	175.3	0	0	0	0	0	110.3	E114 S115 L120 N136	E114-A118 HydrophobicContact CG-CB 3.72Å; E114-A118 VanDerWaalsContact OE1-CB 3.27Å; E114-A118 WeakPolarHBondContact OE1-CB 3.14Å; S115-A118 VanDerWaalsContact O-CB 3.26Å; S115-A118 WeakPolarHBondContact O-CB 3.35Å; S115-A118 PolarHBondContact O-N 3Å; A118-L120 PolarHBondContact O-N 3.42Å; A118-N136 PolarHBondContact O-ND2 3.31Å
119	P	95.9	Very high	88.2	Confident	52 Å²	52	84.5 Å²	84.5	34%	0.338	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61.9	121.8	178.8	-25.9	35.4	0	0	0	112.7	I134 R135 L137 Y162	P119-I134 HydrophobicContact CB-CG2 4.24Å; P119-R135 WeakPolarHBondContact CA-O 3.31Å; P119-L137 HydrophobicContact CB-CD2 4.07Å; P119-L137 HydrophobicContact CG-CD2 3.96Å; P119-Y162 HydrophobicContact CB-CD2 4.19Å; P119-Y162 HydrophobicContact CB-CE2 3.45Å; P119-Y162 VanDerWaalsContact CB-CE2 3.45Å; P119-Y162 HydrophobicContact CG-CD2 3.95Å; P119-Y162 HydrophobicContact CG-CE2 3.68Å
120	L	94.3	Very high	90.1	Very high	46 Å²	46	82.6 Å²	82.6	24%	0.241	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.4	-179.5	-179.9	63.9	0	0	0	110.5	A118 I122 I134 R135	A118-L120 PolarHBondContact O-N 3.42Å; L120-I122 HydrophobicContact CD1-CD1 4.35Å; L120-I122 HydrophobicContact CD1-CG1 4.35Å; L120-I122 HydrophobicContact CD2-CD1 3.59Å; L120-I122 HydrophobicContact CD2-CG1 4.42Å; L120-I122 HydrophobicContact CG-CD1 3.72Å; L120-I122 HydrophobicContact CG-CG1 4.02Å; L120-I134 CarbonylContact O-C 3.57Å; L120-I134 VanDerWaalsContact O-CA 3.27Å; L120-I134 WeakPolarHBondContact O-CA 3.31Å; L120-R135 HydrophobicContact CB-CB 4.36Å; L120-R135 PolarHBondContact N-O 2.94Å; L120-R135 PolarHBondContact O-N 3.12Å
121	F	96.5	Very high	91.7	Very high	51 Å²	51	76.4 Å²	76.4	22%	0.224	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.5	-178.2	-179.9	-90.5	0	0	0	110.9	W132 I134 K164 F166	F121-W132 AromaticContact CE1-CD1 3.42Å; F121-W132 VanDerWaalsContact CE1-CD1 3.42Å; F121-W132 HydrophobicContact CE1-CG 4.34Å; F121-W132 AromaticContact CE1-NE1 3.97Å; F121-W132 HydrophobicContact CE2-CB 3.9Å; F121-W132 AromaticContact CE2-CD1 3.85Å; F121-W132 HydrophobicContact CE2-CG 4.01Å; F121-W132 HydrophobicContact CZ-CB 4.02Å; F121-W132 AromaticContact CZ-CD1 3.07Å; F121-W132 AromaticContact CZ-CG 3.62Å; F121-W132 HydrophobicContact CZ-CG 3.62Å; F121-W132 AromaticContact CZ-NE1 3.68Å; F121-I134 HydrophobicContact CD2-CD1 3.62Å; F121-I134 HydrophobicContact CD2-CG1 3.65Å; F121-I134 HydrophobicContact CE2-CD1 3.98Å; F121-I134 HydrophobicContact CE2-CG1 4.21Å; F121-K164 HydrophobicContact CD2-CD 4.32Å; F121-K164 HydrophobicContact CD2-CG 4.1Å; F121-K164 HydrophobicContact CE2-CG 4.05Å; F121-F166 HydrophobicContact CE2-CD1 4.11Å; F121-F166 HydrophobicContact CE2-CE1 4.12Å; F121-F166 HydrophobicContact CE2-CG 4.42Å; F121-F166 HydrophobicContact CE2-CZ 4.44Å; F121-F166 HydrophobicContact CZ-CB 4.28Å; F121-F166 AromaticContact CZ-CD1 3.92Å; F121-F166 HydrophobicContact CZ-CD1 3.92Å; F121-F166 AromaticContact CZ-CD2 3.94Å; F121-F166 HydrophobicContact CZ-CD2 3.94Å; F121-F166 HydrophobicContact CZ-CE1 4.21Å; F121-F166 HydrophobicContact CZ-CE2 4.22Å; F121-F166 AromaticContact CZ-CG 3.78Å; F121-F166 HydrophobicContact CZ-CG 3.78Å; F121-F166 HydrophobicContact CZ-CZ 4.34Å
122	I	96.3	Very high	93	Very high	16 Å²	16	68.9 Å²	68.9	8%	0.082	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.3	-178.5	-63.4	159.8	0	0	0	109.8	E100 L120 W132 R133	E100-I122 HydrophobicContact CB-CG1 4.49Å; E100-I122 HydrophobicContact CB-CG2 4.49Å; E100-I122 WeakPolarHBondContact OE1-CD1 3.25Å; L120-I122 HydrophobicContact CD1-CD1 4.35Å; L120-I122 HydrophobicContact CD1-CG1 4.35Å; L120-I122 HydrophobicContact CD2-CD1 3.59Å; L120-I122 HydrophobicContact CD2-CG1 4.42Å; L120-I122 HydrophobicContact CG-CD1 3.72Å; L120-I122 HydrophobicContact CG-CG1 4.02Å; I122-W132 CarbonylContact O-C 3.59Å; I122-W132 VanDerWaalsContact O-CA 3.26Å; I122-W132 WeakPolarHBondContact O-CA 3.34Å; I122-R133 PolarHBondContact N-O 3.49Å; I122-R133 PolarHBondContact O-N 3.16Å
123	R	97.8	Very high	94	Very high	11 Å²	11	65.9 Å²	65.9	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.5	169	-175.8	174.5	166.3	-168.7	-7.7	110.4	E97 V98 G99 D125 F130 Q131 W132 D170	E97-R123 WeakPolarHBondContact O-CD 3.5Å; E97-R123 IonicContact OE1-NH1 3.16Å; V98-R123 HydrophobicContact CG2-CG 4.47Å; G99-R123 WeakPolarHBondContact CA-O 3.18Å; G99-R123 PolarHBondContact N-O 3.48Å; R123-D125 WeakPolarHBondContact CG-OD1 3.31Å; R123-D125 IonicContact CZ-OD1 3.61Å; R123-D125 IonicContact CZ-OD2 3.87Å; R123-D125 IonicContact NE-OD1 2.72Å; R123-D125 PolarHBondContact NE-OD1 2.91Å; R123-D125 IonicContact NE-OD2 2.94Å; R123-D125 PolarHBondContact NE-OD2 3.33Å; R123-D125 VanDerWaalsContact NE-OD2 3.16Å; R123-D125 IonicContact NH2-OD1 3.96Å; R123-D125 IonicContact NH2-OD2 2.69Å; R123-D125 PolarHBondContact NH2-OD2 2.78Å; R123-F130 VanDerWaalsContact NH2-CE1 3.26Å; R123-Q131 CarbonylContact C-O 3.6Å; R123-Q131 VanDerWaalsContact CA-O 3.25Å; R123-Q131 WeakPolarHBondContact CA-O 3.15Å; R123-Q131 WeakPolarHBondContact CG-O 3.46Å; R123-W132 HydrophobicContact CB-CG 4.48Å; R123-D170 IonicContact CZ-OD2 3.35Å; R123-D170 VanDerWaalsContact CZ-OD2 3.25Å; R123-D170 IonicContact NH1-OD2 3.85Å; R123-D170 PolarHBondContact NH1-OD2 2.76Å; R123-D170 IonicContact NH2-OD2 2.73Å; R123-D170 PolarHBondContact NH2-OD2 2.95Å
124	S	95.8	Very high	94.8	Very high	63 Å²	63	58.5 Å²	58.5	44%	0.441	31%	0.307	S	S	.	.			trans	-147.6	100.6	175.3	-179.9	0	0	0	0	108	Q131	S124-Q131 PolarHBondContact N-O 2.9Å; S124-Q131 WeakPolarHBondContact O-CB 3.47Å
125	D	97.1	Very high	95.5	Very high	22 Å²	22	57 Å²	57	12%	0.118	29%	0.294	C	S	.	.			trans	-79.1	154.9	-170.4	-65.1	-15.6	0	0	0	112.3	R123 F130 Q131	R123-D125 WeakPolarHBondContact CG-OD1 3.31Å; R123-D125 IonicContact CZ-OD1 3.61Å; R123-D125 IonicContact CZ-OD2 3.87Å; R123-D125 IonicContact NE-OD1 2.72Å; R123-D125 PolarHBondContact NE-OD1 2.91Å; R123-D125 IonicContact NE-OD2 2.94Å; R123-D125 PolarHBondContact NE-OD2 3.33Å; R123-D125 VanDerWaalsContact NE-OD2 3.16Å; R123-D125 IonicContact NH2-OD1 3.96Å; R123-D125 IonicContact NH2-OD2 2.69Å; R123-D125 PolarHBondContact NH2-OD2 2.78Å; D125-F130 VanDerWaalsContact OD1-CA 3.31Å; D125-F130 WeakPolarHBondContact OD1-CA 3.27Å; D125-F130 WeakPolarHBondContact OD2-CD1 3.49Å; D125-Q131 PolarHBondContact OD1-N 3.02Å
126	V	95.4	Very high	95.9	Very high	56 Å²	56	56 Å²	56	34%	0.339	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-111.4	164.1	166.6	-67.1	0	0	0	0	109.1	R128 A129 Q131 K198	V126-R128 PolarHBondContact O-N 3.27Å; V126-A129 HydrophobicContact CG2-CB 3.77Å; V126-A129 PolarHBondContact N-O 2.85Å; V126-A129 PolarHBondContact O-N 2.84Å; V126-Q131 VanDerWaalsContact CG1-OE1 3.3Å; V126-Q131 HydrophobicContact CG2-CG 4.31Å; V126-K198 PolarHBondContact O-NZ 3.35Å
127	P	94.6	Very high	96.4	Very high	74 Å²	74	51 Å²	51	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-32.1	-172.8	-31.5	36.8	0	0	0	115	L203	P127-L203 VanDerWaalsContact O-CD2 3.29Å; P127-L203 WeakPolarHBondContact O-CD2 3.26Å
128	R	96.9	Very high	96.6	Very high	194 Å²	194	47.9 Å²	47.9	73%	0.732	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	1.7	-176.3	-71.7	-169.1	142.7	98.1	2.1	115.6	V126 K198	V126-R128 PolarHBondContact O-N 3.27Å; R128-K198 PolarHBondContact O-N 2.72Å
129	A	98.3	Very high	96.7	Very high	12 Å²	12	50.1 Å²	50.1	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.9	-178.7	0	0	0	0	0	111.7	V126 Q131 Y196	V126-A129 HydrophobicContact CG2-CB 3.77Å; V126-A129 PolarHBondContact N-O 2.85Å; V126-A129 PolarHBondContact O-N 2.84Å; A129-Q131 HydrophobicContact CB-CG 4.45Å; A129-Y196 CarbonylContact C-O 3.57Å; A129-Y196 WeakPolarHBondContact CA-O 3.44Å; A129-Y196 WeakPolarHBondContact CB-O 3.32Å
130	F	98.6	Very high	96.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.5	159.8	-54.7	-62.6	0	0	0	108.5	R123 D125 W132 I168 D170 M171 S195 Y196 K198 I202	R123-F130 VanDerWaalsContact NH2-CE1 3.26Å; D125-F130 VanDerWaalsContact OD1-CA 3.31Å; D125-F130 WeakPolarHBondContact OD1-CA 3.27Å; D125-F130 WeakPolarHBondContact OD2-CD1 3.49Å; F130-W132 HydrophobicContact CB-CH2 3.43Å; F130-W132 VanDerWaalsContact CB-CH2 3.43Å; F130-W132 HydrophobicContact CB-CZ2 4.24Å; F130-W132 HydrophobicContact CB-CZ3 3.73Å; F130-W132 HydrophobicContact CG-CH2 4.37Å; F130-I168 HydrophobicContact CD1-CG2 4.37Å; F130-I168 HydrophobicContact CD2-CD1 3.96Å; F130-I168 HydrophobicContact CD2-CG2 3.64Å; F130-I168 HydrophobicContact CE1-CG2 4.37Å; F130-I168 HydrophobicContact CE2-CG2 3.65Å; F130-I168 HydrophobicContact CG-CG2 3.99Å; F130-I168 HydrophobicContact CZ-CG2 3.99Å; F130-D170 HydrophobicContact CE1-CB 3.91Å; F130-D170 HydrophobicContact CZ-CB 3.59Å; F130-M171 HydrophobicContact CE2-CG 4.18Å; F130-M171 HydrophobicContact CE2-SD 4.31Å; F130-S195 CarbonylContact O-C 3.57Å; F130-S195 WeakPolarHBondContact O-CA 3.37Å; F130-Y196 AromaticContact CD2-CD1 3.95Å; F130-Y196 HydrophobicContact CD2-CD1 3.95Å; F130-Y196 PolarHBondContact N-O 2.95Å; F130-Y196 PolarHBondContact O-N 2.98Å; F130-K198 HydrophobicContact CD1-CG 4.31Å; F130-K198 HydrophobicContact CD2-CG 4Å; F130-K198 HydrophobicContact CE1-CD 4.33Å; F130-K198 HydrophobicContact CE1-CG 4.2Å; F130-K198 HydrophobicContact CE2-CG 3.87Å; F130-K198 HydrophobicContact CG-CG 4.25Å; F130-K198 HydrophobicContact CZ-CD 4.49Å; F130-K198 HydrophobicContact CZ-CG 4Å; F130-I202 HydrophobicContact CE1-CG2 4.26Å; F130-I202 HydrophobicContact CE2-CG1 4.45Å; F130-I202 HydrophobicContact CE2-CG2 4.25Å; F130-I202 HydrophobicContact CZ-CG1 4.27Å; F130-I202 HydrophobicContact CZ-CG2 3.54Å
131	Q	98.2	Very high	96.9	Very high	36 Å²	36	52.8 Å²	52.8	17%	0.168	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.5	-173.5	-91.4	-172.2	-8.1	0	0	112.7	R123 S124 D125 V126 A129 L193 I194 S195	R123-Q131 CarbonylContact C-O 3.6Å; R123-Q131 VanDerWaalsContact CA-O 3.25Å; R123-Q131 WeakPolarHBondContact CA-O 3.15Å; R123-Q131 WeakPolarHBondContact CG-O 3.46Å; S124-Q131 PolarHBondContact N-O 2.9Å; S124-Q131 WeakPolarHBondContact O-CB 3.47Å; D125-Q131 PolarHBondContact OD1-N 3.02Å; V126-Q131 VanDerWaalsContact CG1-OE1 3.3Å; V126-Q131 HydrophobicContact CG2-CG 4.31Å; A129-Q131 HydrophobicContact CB-CG 4.45Å; Q131-L193 HydrophobicContact CB-CD1 4.26Å; Q131-L193 HydrophobicContact CG-CD1 4.13Å; Q131-I194 CarbonylContact C-O 3.6Å; Q131-I194 VanDerWaalsContact CA-O 3.32Å; Q131-I194 WeakPolarHBondContact CA-O 3.32Å; Q131-S195 WeakPolarHBondContact CG-OG 3.47Å; Q131-S195 PolarHBondContact NE2-OG 3.3Å
132	W	98.6	Very high	97	Very high	6 Å²	6	55.5 Å²	55.5	2%	0.023	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.9	174.4	-60.2	-93.8	0	0	0	110.3	F121 I122 R123 F130 F166 I168 L193 I194	F121-W132 AromaticContact CE1-CD1 3.42Å; F121-W132 VanDerWaalsContact CE1-CD1 3.42Å; F121-W132 HydrophobicContact CE1-CG 4.34Å; F121-W132 AromaticContact CE1-NE1 3.97Å; F121-W132 HydrophobicContact CE2-CB 3.9Å; F121-W132 AromaticContact CE2-CD1 3.85Å; F121-W132 HydrophobicContact CE2-CG 4.01Å; F121-W132 HydrophobicContact CZ-CB 4.02Å; F121-W132 AromaticContact CZ-CD1 3.07Å; F121-W132 AromaticContact CZ-CG 3.62Å; F121-W132 HydrophobicContact CZ-CG 3.62Å; F121-W132 AromaticContact CZ-NE1 3.68Å; I122-W132 CarbonylContact O-C 3.59Å; I122-W132 VanDerWaalsContact O-CA 3.26Å; I122-W132 WeakPolarHBondContact O-CA 3.34Å; R123-W132 HydrophobicContact CB-CG 4.48Å; F130-W132 HydrophobicContact CB-CH2 3.43Å; F130-W132 VanDerWaalsContact CB-CH2 3.43Å; F130-W132 HydrophobicContact CB-CZ2 4.24Å; F130-W132 HydrophobicContact CB-CZ3 3.73Å; F130-W132 HydrophobicContact CG-CH2 4.37Å; W132-F166 HydrophobicContact CD2-CD2 4.31Å; W132-F166 AromaticContact CD2-CE2 3.52Å; W132-F166 HydrophobicContact CD2-CE2 3.52Å; W132-F166 HydrophobicContact CD2-CZ 4.11Å; W132-F166 AromaticContact CE2-CD2 3.83Å; W132-F166 AromaticContact CE2-CE2 3.44Å; W132-F166 VanDerWaalsContact CE2-CE2 3.44Å; W132-F166 AromaticContact CE3-CE2 3.81Å; W132-F166 HydrophobicContact CE3-CE2 3.81Å; W132-F166 HydrophobicContact CE3-CZ 4.22Å; W132-F166 HydrophobicContact CG-CE2 4.1Å; W132-F166 HydrophobicContact CG-CZ 4.46Å; W132-F166 AromaticContact CH2-CE2 3.98Å; W132-F166 HydrophobicContact CH2-CE2 3.98Å; W132-F166 HydrophobicContact CZ2-CD2 4.04Å; W132-F166 AromaticContact CZ2-CE2 3.68Å; W132-F166 HydrophobicContact CZ2-CE2 3.68Å; W132-F166 HydrophobicContact CZ3-CE2 4.04Å; W132-F166 AromaticContact NE1-CD2 3.93Å; W132-F166 AromaticContact NE1-CE2 3.91Å; W132-I168 HydrophobicContact CH2-CD1 3.68Å; W132-I168 HydrophobicContact CH2-CG1 3.63Å; W132-I168 HydrophobicContact CH2-CG2 4.46Å; W132-I168 HydrophobicContact CZ2-CG1 4.05Å; W132-I168 HydrophobicContact CZ3-CD1 4.44Å; W132-L193 WeakPolarHBondContact O-CA 3.32Å; W132-I194 HydrophobicContact CB-CB 4.35Å; W132-I194 HydrophobicContact CE3-CB 4.31Å; W132-I194 HydrophobicContact CE3-CG2 4.26Å; W132-I194 PolarHBondContact N-O 2.87Å; W132-I194 PolarHBondContact O-N 3.18Å
133	R	97.5	Very high	97.1	Very high	100 Å²	100	55.6 Å²	55.6	38%	0.377	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.2	172.6	-63.5	-176.2	69.7	85	1.1	108.2	I122 T191 L193	I122-R133 PolarHBondContact N-O 3.49Å; I122-R133 PolarHBondContact O-N 3.16Å; R133-T191 HydrophobicContact CB-CG2 4.35Å; R133-L193 HydrophobicContact CG-CD1 3.78Å
134	I	97.7	Very high	97.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.7	172.4	-39.5	-173.5	0	0	0	108.2	P119 L120 F121 L137 L155 Y162 T191 L192 I194	P119-I134 HydrophobicContact CB-CG2 4.24Å; L120-I134 CarbonylContact O-C 3.57Å; L120-I134 VanDerWaalsContact O-CA 3.27Å; L120-I134 WeakPolarHBondContact O-CA 3.31Å; F121-I134 HydrophobicContact CD2-CD1 3.62Å; F121-I134 HydrophobicContact CD2-CG1 3.65Å; F121-I134 HydrophobicContact CE2-CD1 3.98Å; F121-I134 HydrophobicContact CE2-CG1 4.21Å; I134-L137 HydrophobicContact CB-CD1 3.73Å; I134-L137 HydrophobicContact CB-CG 4.38Å; I134-L137 HydrophobicContact CD1-CD1 4.41Å; I134-L137 HydrophobicContact CG2-CD1 3.49Å; I134-L137 VanDerWaalsContact CG2-CD1 3.49Å; I134-L137 HydrophobicContact CG2-CG 3.84Å; I134-L155 HydrophobicContact CD1-CD2 3.46Å; I134-L155 VanDerWaalsContact CD1-CD2 3.46Å; I134-Y162 HydrophobicContact CD1-CE1 4.03Å; I134-Y162 HydrophobicContact CG2-CE1 4.31Å; I134-Y162 WeakPolarHBondContact CG2-OH 3.36Å; I134-T191 CarbonylContact O-C 3.49Å; I134-T191 WeakPolarHBondContact O-CA 3.36Å; I134-L192 HydrophobicContact CB-CB 4.39Å; I134-L192 HydrophobicContact CD1-CD2 4.44Å; I134-L192 PolarHBondContact N-O 3.01Å; I134-L192 PolarHBondContact O-N 3.31Å; I134-I194 HydrophobicContact CD1-CD1 3.96Å
135	R	96.9	Very high	97.2	Very high	114 Å²	114	58.7 Å²	58.7	43%	0.43	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	166.3	178.2	-56.9	-173.1	-175.5	-168.4	1.9	110.5	P119 L120 L137 N190 T191	P119-R135 WeakPolarHBondContact CA-O 3.31Å; L120-R135 HydrophobicContact CB-CB 4.36Å; L120-R135 PolarHBondContact N-O 2.94Å; L120-R135 PolarHBondContact O-N 3.12Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 3.2Å; R135-N190 CarbonylContact C-O 3.6Å; R135-T191 HydrophobicContact CG-CG2 4.27Å
136	N	96.8	Very high	97.2	Very high	51 Å²	51	59.2 Å²	59.2	27%	0.273	29%	0.286	S	S	.	.	S	Bend	trans	60	36.6	178	-51.8	-31.1	0	0	0	113.4	P116 Q117 A118 N190	P116-N136 PolarHBondContact O-ND2 2.81Å; Q117-N136 WeakPolarHBondContact O-CB 3.42Å; A118-N136 PolarHBondContact O-ND2 3.31Å; N136-N190 PolarHBondContact N-O 2.72Å
137	L	96.5	Very high	97.3	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.016	28%	0.279	C	S	.	.			trans	-114.3	99	172.7	-73.4	-169.6	0	0	0	108.5	P119 I134 R135 Y144 Y162 H187 N190 L192	P119-L137 HydrophobicContact CB-CD2 4.07Å; P119-L137 HydrophobicContact CG-CD2 3.96Å; I134-L137 HydrophobicContact CB-CD1 3.73Å; I134-L137 HydrophobicContact CB-CG 4.38Å; I134-L137 HydrophobicContact CD1-CD1 4.41Å; I134-L137 HydrophobicContact CG2-CD1 3.49Å; I134-L137 VanDerWaalsContact CG2-CD1 3.49Å; I134-L137 HydrophobicContact CG2-CG 3.84Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 3.2Å; L137-Y144 WeakPolarHBondContact CB-OH 3.35Å; L137-Y144 HydrophobicContact CD1-CE1 3.95Å; L137-Y162 HydrophobicContact CD1-CD1 4.17Å; L137-Y162 HydrophobicContact CD1-CE1 4.17Å; L137-Y162 HydrophobicContact CD2-CD1 4.27Å; L137-Y162 HydrophobicContact CD2-CD2 3.8Å; L137-Y162 HydrophobicContact CD2-CE2 4.17Å; L137-Y162 HydrophobicContact CD2-CG 3.86Å; L137-H187 PolarHBondContact O-NE2 3.16Å; L137-N190 PolarHBondContact N-O 2.77Å; L137-N190 CarbonylContact O-C 3.56Å; L137-N190 WeakPolarHBondContact O-CA 3.39Å; L137-L192 HydrophobicContact CD1-CB 4.05Å; L137-L192 HydrophobicContact CD1-CD2 4.32Å
138	P	95.5	Very high	97.5	Very high	74 Å²	74	56 Å²	56	48%	0.481	27%	0.267	S	S	.	.			trans	-87.2	-6.7	-169.6	34	-36.9	0	0	0	114.3
139	Y	96.2	Very high	97.5	Very high	72 Å²	72	50.5 Å²	50.5	28%	0.282	25%	0.249	S	C	.	.	S	Bend	trans	-73.7	148.2	-174	-48.4	-64.9	0	0	0	111.2	V143 Y144 N159 K161 H187	Y139-V143 HydrophobicContact CG-CG1 4.31Å; Y139-Y144 WeakPolarHBondContact CB-OH 3.29Å; Y139-Y144 PolarHBondContact N-OH 3.06Å; Y139-Y144 VanDerWaalsContact O-CE2 3.27Å; Y139-Y144 WeakPolarHBondContact O-CE2 3.41Å; Y139-Y144 PolarHBondContact O-OH 2.94Å; Y139-N159 WeakPolarHBondContact CD1-ND2 3.35Å; Y139-N159 VanDerWaalsContact CE1-ND2 3.32Å; Y139-N159 WeakPolarHBondContact CE1-ND2 3.3Å; Y139-K161 HydrophobicContact CE2-CB 3.93Å; Y139-K161 WeakPolarHBondContact OH-CB 3.3Å; Y139-H187 PolarHBondContact O-CE1 3.03Å; Y139-H187 PolarHBondContact O-NE2 2.49Å
140	P	96.8	Very high	97.4	Very high	76 Å²	76	56.9 Å²	56.9	49%	0.494	28%	0.282	S	S	.	.			trans	-64.1	160.1	175.6	25.4	-32.4	0	0	0	112.2	D142 V143 Y144	P140-D142 VanDerWaalsContact CB-OD1 3.29Å; P140-D142 WeakPolarHBondContact CB-OD1 3.42Å; P140-D142 VanDerWaalsContact CG-OD1 3.24Å; P140-D142 WeakPolarHBondContact CG-OD1 3.4Å; P140-D142 PolarHBondContact O-N 2.99Å; P140-D142 VanDerWaalsContact O-N 3.16Å; P140-V143 HydrophobicContact CG-CG2 4.03Å; P140-V143 WeakPolarHBondContact O-CB 3.47Å; P140-V143 PolarHBondContact O-N 2.91Å; P140-Y144 WeakPolarHBondContact O-CD2 3.35Å; P140-Y144 VanDerWaalsContact O-CE2 3.31Å; P140-Y144 WeakPolarHBondContact O-CE2 3.41Å
141	L	97.5	Very high	97.2	Very high	78 Å²	78	58.9 Å²	58.9	41%	0.408	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56.8	-35	-171.9	-176.1	60.8	0	0	0	113.5	V143 Y144 L185 H187 L192	L141-V143 PolarHBondContact O-N 3.5Å; L141-Y144 HydrophobicContact CD1-CD2 4.46Å; L141-Y144 WeakPolarHBondContact O-CD2 3.27Å; L141-Y144 PolarHBondContact O-N 3.36Å; L141-Y144 VanDerWaalsContact O-N 3.12Å; L141-L185 HydrophobicContact CD1-CB 3.8Å; L141-H187 HydrophobicContact CB-CB 4.18Å; L141-H187 HydrophobicContact CD1-CB 3.97Å; L141-L192 HydrophobicContact CD1-CD1 4.07Å
142	D	97.7	Very high	97.2	Very high	107 Å²	107	58.9 Å²	58.9	57%	0.572	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-68.3	-10	-179.3	70.4	-37.6	0	0	0	114.1	P140 R145	P140-D142 VanDerWaalsContact CB-OD1 3.29Å; P140-D142 WeakPolarHBondContact CB-OD1 3.42Å; P140-D142 VanDerWaalsContact CG-OD1 3.24Å; P140-D142 WeakPolarHBondContact CG-OD1 3.4Å; P140-D142 PolarHBondContact O-N 2.99Å; P140-D142 VanDerWaalsContact O-N 3.16Å; D142-R145 PolarHBondContact O-NH1 2.79Å; D142-R145 PolarHBondContact O-NH2 3.13Å; D142-R145 VanDerWaalsContact O-NH2 3.11Å
143	V	97.8	Very high	97.2	Very high	18 Å²	18	58.6 Å²	58.6	11%	0.109	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-79.7	-25.1	172.3	172.6	0	0	0	0	111.6	Y139 P140 L141 T157 T158	Y139-V143 HydrophobicContact CG-CG1 4.31Å; P140-V143 HydrophobicContact CG-CG2 4.03Å; P140-V143 WeakPolarHBondContact O-CB 3.47Å; P140-V143 PolarHBondContact O-N 2.91Å; L141-V143 PolarHBondContact O-N 3.5Å; V143-T157 HydrophobicContact CG1-CG2 4.03Å; V143-T157 CarbonylContact O-C 3.51Å; V143-T157 VanDerWaalsContact O-CA 3.27Å; V143-T157 WeakPolarHBondContact O-CA 3.31Å; V143-T158 PolarHBondContact O-N 3.38Å; V143-T158 PolarHBondContact O-OG1 3.33Å
144	Y	98.2	Very high	97.3	Very high	6 Å²	6	53.9 Å²	53.9	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139	-175.7	-55.4	-76.9	0	0	0	112	L137 Y139 P140 L141 L155 R156 T157 H187 L192	L137-Y144 WeakPolarHBondContact CB-OH 3.35Å; L137-Y144 HydrophobicContact CD1-CE1 3.95Å; Y139-Y144 WeakPolarHBondContact CB-OH 3.29Å; Y139-Y144 PolarHBondContact N-OH 3.06Å; Y139-Y144 VanDerWaalsContact O-CE2 3.27Å; Y139-Y144 WeakPolarHBondContact O-CE2 3.41Å; Y139-Y144 PolarHBondContact O-OH 2.94Å; P140-Y144 WeakPolarHBondContact O-CD2 3.35Å; P140-Y144 VanDerWaalsContact O-CE2 3.31Å; P140-Y144 WeakPolarHBondContact O-CE2 3.41Å; L141-Y144 HydrophobicContact CD1-CD2 4.46Å; L141-Y144 WeakPolarHBondContact O-CD2 3.27Å; L141-Y144 PolarHBondContact O-N 3.36Å; L141-Y144 VanDerWaalsContact O-N 3.12Å; Y144-L155 HydrophobicContact CD1-CD1 4.13Å; Y144-L155 HydrophobicContact CG-CD1 4.45Å; Y144-R156 CarbonylContact C-O 3.54Å; Y144-R156 WeakPolarHBondContact CA-O 3.15Å; Y144-T157 HydrophobicContact CD1-CG2 3.6Å; Y144-T157 HydrophobicContact CE1-CG2 3.67Å; Y144-H187 AromaticContact CE2-CD2 3.97Å; Y144-L192 HydrophobicContact CD1-CD2 3.84Å; Y144-L192 HydrophobicContact CD2-CD1 3.82Å; Y144-L192 HydrophobicContact CE1-CD2 4.18Å; Y144-L192 HydrophobicContact CE2-CD1 4.11Å; Y144-L192 HydrophobicContact CG-CD1 4.07Å; Y144-L192 HydrophobicContact CG-CD2 4.05Å
145	R	97.9	Very high	97.3	Very high	134 Å²	134	53.9 Å²	53.9	51%	0.506	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135	173.4	-63.8	-68.1	176.8	-83.5	-4.9	108	D142 L155 R156 T158	D142-R145 PolarHBondContact O-NH1 2.79Å; D142-R145 PolarHBondContact O-NH2 3.13Å; D142-R145 VanDerWaalsContact O-NH2 3.11Å; R145-L155 WeakPolarHBondContact O-CA 3.4Å; R145-R156 PolarHBondContact N-O 3.49Å; R145-R156 PolarHBondContact O-N 2.87Å; R145-T158 HydrophobicContact CG-CG2 4.27Å
146	V	98	Very high	97.4	Very high	33 Å²	33	53.6 Å²	53.6	20%	0.2	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138	175.1	68.8	0	0	0	0	109.3	I153 L154 I183 L185	V146-I153 HydrophobicContact CG2-CG2 3.46Å; V146-I153 VanDerWaalsContact CG2-CG2 3.46Å; V146-L154 CarbonylContact C-O 3.58Å; V146-L154 VanDerWaalsContact CA-O 3.28Å; V146-L154 WeakPolarHBondContact CA-O 3.16Å; V146-I183 HydrophobicContact CB-CG2 4.47Å; V146-I183 HydrophobicContact CG1-CB 4.42Å; V146-I183 HydrophobicContact CG1-CG2 3.84Å; V146-I183 HydrophobicContact CG2-CD1 3.88Å; V146-I183 HydrophobicContact CG2-CG2 4.02Å; V146-L185 HydrophobicContact CB-CD1 4.31Å; V146-L185 HydrophobicContact CG1-CD1 4.19Å; V146-L185 HydrophobicContact CG1-CG 4.45Å
147	S	97.9	Very high	97.4	Very high	26 Å²	26	51.6 Å²	51.6	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	163	171.8	61.3	0	0	0	0	110.7	E149 L154 E180	S147-E149 PolarHBondContact OG-OE1 3.31Å; S147-E149 VanDerWaalsContact OG-OE1 3.04Å; S147-L154 PolarHBondContact N-O 3.13Å; S147-L154 PolarHBondContact O-N 2.93Å; S147-E180 WeakPolarHBondContact CA-OE2 3.23Å
148	V	98.2	Very high	97.5	Very high	37 Å²	37	55.2 Å²	55.2	22%	0.224	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.7	170.8	174.2	0	0	0	0	109.9	N152 L178 E180 I183	V148-N152 WeakPolarHBondContact CA-O 3.21Å; V148-L178 HydrophobicContact CG1-CB 3.56Å; V148-L178 HydrophobicContact CG1-CD1 4.36Å; V148-L178 HydrophobicContact CG2-CB 4.19Å; V148-E180 HydrophobicContact CB-CB 4.48Å; V148-E180 HydrophobicContact CG2-CB 4Å; V148-E180 HydrophobicContact CG2-CG 4.46Å; V148-E180 PolarHBondContact N-OE2 3.38Å; V148-I183 HydrophobicContact CG2-CD1 3.78Å
149	E	96.9	Very high	97.5	Very high	78 Å²	78	54.6 Å²	54.6	36%	0.364	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.3	179.2	-65	167.1	-146.1	0	0	109.4	S147 G151 N152 L154 R156	S147-E149 PolarHBondContact OG-OE1 3.31Å; S147-E149 VanDerWaalsContact OG-OE1 3.04Å; E149-G151 VanDerWaalsContact C-N 3.33Å; E149-G151 PolarHBondContact O-N 2.81Å; E149-N152 PolarHBondContact N-O 3.23Å; E149-N152 WeakPolarHBondContact O-CA 3.29Å; E149-N152 WeakPolarHBondContact O-CB 3.34Å; E149-N152 PolarHBondContact O-N 3.18Å; E149-L154 HydrophobicContact CB-CD1 3.84Å; E149-L154 HydrophobicContact CB-CD2 4.45Å; E149-L154 HydrophobicContact CG-CD1 4.45Å; E149-L154 WeakPolarHBondContact OE2-CD2 3.36Å; E149-R156 IonicContact OE1-NH2 3.4Å; E149-R156 PolarHBondContact OE1-NH2 2.99Å; E149-R156 IonicContact OE2-NH2 3.41Å; E149-R156 PolarHBondContact OE2-NH2 3.01Å
150	D	95.2	Very high	97.5	Very high	146 Å²	146	60.3 Å²	60.3	78%	0.781	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	44.9	175.9	-52.8	-36.9	0	0	0	114.7	N152	D150-N152 PolarHBondContact O-N 3.27Å; D150-N152 PolarHBondContact O-ND2 3.49Å
151	G	95.6	Very high	97.5	Very high	42 Å²	42	63.9 Å²	63.9	43%	0.433	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	14.6	-178.7	0	0	0	0	0	114.7	E149 L178	E149-G151 VanDerWaalsContact C-N 3.33Å; E149-G151 PolarHBondContact O-N 2.81Å; G151-L178 WeakPolarHBondContact O-CD1 3.43Å
152	N	98.4	Very high	97.5	Very high	35 Å²	35	61.7 Å²	61.7	19%	0.187	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.8	177.1	-62.7	-92.9	0	0	0	111.3	V148 E149 D150 L154 K165 F166	V148-N152 WeakPolarHBondContact CA-O 3.21Å; E149-N152 PolarHBondContact N-O 3.23Å; E149-N152 WeakPolarHBondContact O-CA 3.29Å; E149-N152 WeakPolarHBondContact O-CB 3.34Å; E149-N152 PolarHBondContact O-N 3.18Å; D150-N152 PolarHBondContact O-N 3.27Å; D150-N152 PolarHBondContact O-ND2 3.49Å; N152-L154 HydrophobicContact CB-CD1 3.96Å; N152-K165 HydrophobicContact CB-CD 4.29Å; N152-K165 VanDerWaalsContact CB-CE 3.47Å; N152-K165 HydrophobicContact CB-CG 3.82Å; N152-K165 WeakPolarHBondContact ND2-CE 3.45Å; N152-F166 CarbonylContact C-O 3.51Å; N152-F166 WeakPolarHBondContact CA-O 3.45Å
153	I	98.6	Very high	97.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.5	165.3	-58.1	-178.6	0	0	0	108.1	V146 K165 F166 I168 L178 I183 Y196	V146-I153 HydrophobicContact CG2-CG2 3.46Å; V146-I153 VanDerWaalsContact CG2-CG2 3.46Å; I153-K165 WeakPolarHBondContact O-CA 3.39Å; I153-F166 HydrophobicContact CB-CD1 4.38Å; I153-F166 HydrophobicContact CB-CE1 3.93Å; I153-F166 HydrophobicContact CB-CE2 4.06Å; I153-F166 HydrophobicContact CB-CZ 3.76Å; I153-F166 HydrophobicContact CD1-CE2 3.94Å; I153-F166 HydrophobicContact CD1-CZ 4.1Å; I153-F166 HydrophobicContact CG1-CE2 4.43Å; I153-F166 HydrophobicContact CG1-CZ 4.47Å; I153-F166 HydrophobicContact CG2-CE1 3.78Å; I153-F166 HydrophobicContact CG2-CE2 4.4Å; I153-F166 HydrophobicContact CG2-CZ 3.65Å; I153-F166 PolarHBondContact N-O 2.93Å; I153-F166 PolarHBondContact O-N 3.36Å; I153-I168 HydrophobicContact CD1-CD1 3.99Å; I153-I168 HydrophobicContact CD1-CG1 4.16Å; I153-L178 HydrophobicContact CG1-CD1 3.84Å; I153-I183 HydrophobicContact CD1-CD1 4.01Å; I153-I183 HydrophobicContact CD1-CG1 4.42Å; I153-I183 HydrophobicContact CG1-CD1 4.11Å; I153-I183 HydrophobicContact CG2-CD1 4.09Å; I153-Y196 HydrophobicContact CD1-CD2 3.99Å
154	L	98.4	Very high	97.5	Very high	2 Å²	2	65 Å²	65	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.2	176.2	-75.1	72.8	0	0	0	109	V146 S147 E149 N152 Y163 K164 K165	V146-L154 CarbonylContact C-O 3.58Å; V146-L154 VanDerWaalsContact CA-O 3.28Å; V146-L154 WeakPolarHBondContact CA-O 3.16Å; S147-L154 PolarHBondContact N-O 3.13Å; S147-L154 PolarHBondContact O-N 2.93Å; E149-L154 HydrophobicContact CB-CD1 3.84Å; E149-L154 HydrophobicContact CB-CD2 4.45Å; E149-L154 HydrophobicContact CG-CD1 4.45Å; E149-L154 WeakPolarHBondContact OE2-CD2 3.36Å; N152-L154 HydrophobicContact CB-CD1 3.96Å; L154-Y163 HydrophobicContact CD2-CE2 4.29Å; L154-K164 WeakPolarHBondContact CA-O 3.43Å; L154-K165 HydrophobicContact CD1-CD 4.42Å; L154-K165 HydrophobicContact CD1-CG 4.15Å; L154-K165 HydrophobicContact CG-CB 4.45Å; L154-K165 HydrophobicContact CG-CG 4.23Å
155	L	98.5	Very high	97.5	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122.6	167.9	176.2	68.2	0	0	0	108.9	I134 Y144 R145 Y162 Y163 K164 L192 I194	I134-L155 HydrophobicContact CD1-CD2 3.46Å; I134-L155 VanDerWaalsContact CD1-CD2 3.46Å; Y144-L155 HydrophobicContact CD1-CD1 4.13Å; Y144-L155 HydrophobicContact CG-CD1 4.45Å; R145-L155 WeakPolarHBondContact O-CA 3.4Å; L155-Y162 HydrophobicContact CD2-CD1 4Å; L155-Y162 HydrophobicContact CD2-CE1 3.84Å; L155-Y163 CarbonylContact O-C 3.35Å; L155-Y163 WeakPolarHBondContact O-CA 3.4Å; L155-K164 HydrophobicContact CB-CB 4.35Å; L155-K164 PolarHBondContact N-O 3.01Å; L155-K164 PolarHBondContact O-N 3.49Å; L155-L192 HydrophobicContact CD1-CD2 3.84Å; L155-L192 HydrophobicContact CD2-CD2 3.47Å; L155-L192 VanDerWaalsContact CD2-CD2 3.47Å; L155-L192 HydrophobicContact CG-CD2 4.32Å; L155-I194 HydrophobicContact CD2-CD1 4.06Å
156	R	98	Very high	97.5	Very high	107 Å²	107	63.7 Å²	63.7	40%	0.404	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	158.7	175.1	-49.4	-167.4	-177.5	172.8	3	110	Y144 R145 E149 Y163	Y144-R156 CarbonylContact C-O 3.54Å; Y144-R156 WeakPolarHBondContact CA-O 3.15Å; R145-R156 PolarHBondContact N-O 3.49Å; R145-R156 PolarHBondContact O-N 2.87Å; E149-R156 IonicContact OE1-NH2 3.4Å; E149-R156 PolarHBondContact OE1-NH2 2.99Å; E149-R156 IonicContact OE2-NH2 3.41Å; E149-R156 PolarHBondContact OE2-NH2 3.01Å; R156-Y163 HydrophobicContact CG-CD2 3.86Å; R156-Y163 HydrophobicContact CG-CE2 4.08Å
157	T	98	Very high	97.5	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.9	172.1	47.9	0	0	0	0	110	V143 Y144 N159 K160 K161 Y162	V143-T157 HydrophobicContact CG1-CG2 4.03Å; V143-T157 CarbonylContact O-C 3.51Å; V143-T157 VanDerWaalsContact O-CA 3.27Å; V143-T157 WeakPolarHBondContact O-CA 3.31Å; Y144-T157 HydrophobicContact CD1-CG2 3.6Å; Y144-T157 HydrophobicContact CE1-CG2 3.67Å; T157-N159 WeakPolarHBondContact CB-OD1 3.34Å; T157-N159 PolarHBondContact O-N 3.24Å; T157-N159 PolarHBondContact OG1-OD1 3.16Å; T157-N159 VanDerWaalsContact OG1-OD1 3.12Å; T157-K160 PolarHBondContact O-N 2.82Å; T157-K161 PolarHBondContact OG1-N 2.72Å; T157-K161 VanDerWaalsContact OG1-N 3.11Å; T157-Y162 PolarHBondContact N-O 2.91Å; T157-Y162 PolarHBondContact OG1-N 2.85Å; T157-Y162 PolarHBondContact OG1-O 2.82Å
158	T	97.7	Very high	97.5	Very high	79 Å²	79	64 Å²	64	49%	0.485	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.4	179	52.8	0	0	0	0	112.2	V143 R145 K160	V143-T158 PolarHBondContact O-N 3.38Å; V143-T158 PolarHBondContact O-OG1 3.33Å; R145-T158 HydrophobicContact CG-CG2 4.27Å; T158-K160 PolarHBondContact O-N 3.04Å
159	N	96.6	Very high	97.4	Very high	61 Å²	61	63.6 Å²	63.6	33%	0.326	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	0.6	174.5	68	5.5	0	0	0	114.1	Y139 T157 K161	Y139-N159 WeakPolarHBondContact CD1-ND2 3.35Å; Y139-N159 VanDerWaalsContact CE1-ND2 3.32Å; Y139-N159 WeakPolarHBondContact CE1-ND2 3.3Å; T157-N159 WeakPolarHBondContact CB-OD1 3.34Å; T157-N159 PolarHBondContact O-N 3.24Å; T157-N159 PolarHBondContact OG1-OD1 3.16Å; T157-N159 VanDerWaalsContact OG1-OD1 3.12Å; N159-K161 HydrophobicContact CB-CG 4.29Å; N159-K161 PolarHBondContact O-N 2.85Å; N159-K161 WeakPolarHBondContact OD1-CB 3.43Å; N159-K161 PolarHBondContact OD1-N 2.98Å; N159-K161 VanDerWaalsContact OD1-N 3.07Å
160	K	96.5	Very high	97.4	Very high	191 Å²	191	60.3 Å²	60.3	83%	0.83	29%	0.294	S	S	*	.	S	Bend	trans	58.7	24.3	179.9	-51	177.4	-178	177.8	0	114.5	T157 T158	T157-K160 PolarHBondContact O-N 2.82Å; T158-K160 PolarHBondContact O-N 3.04Å
161	K	95.9	Very high	97.5	Very high	151 Å²	151	53.5 Å²	53.5	66%	0.657	26%	0.257	S	S	*	.	S	Bend	trans	-88.1	-18.5	-179.9	-67.3	-65	-173.8	178.3	0	113.8	Y139 T157 N159	Y139-K161 HydrophobicContact CE2-CB 3.93Å; Y139-K161 WeakPolarHBondContact OH-CB 3.3Å; T157-K161 PolarHBondContact OG1-N 2.72Å; T157-K161 VanDerWaalsContact OG1-N 3.11Å; N159-K161 HydrophobicContact CB-CG 4.29Å; N159-K161 PolarHBondContact O-N 2.85Å; N159-K161 WeakPolarHBondContact OD1-CB 3.43Å; N159-K161 PolarHBondContact OD1-N 2.98Å; N159-K161 VanDerWaalsContact OD1-N 3.07Å
162	Y	96.8	Very high	97.5	Very high	32 Å²	32	55.7 Å²	55.7	13%	0.125	26%	0.263	C	S	.	.			trans	-142.9	137.9	179.6	-165.5	-101.9	0	0	0	111.6	P119 I134 L137 L155 T157 K164	P119-Y162 HydrophobicContact CB-CD2 4.19Å; P119-Y162 HydrophobicContact CB-CE2 3.45Å; P119-Y162 VanDerWaalsContact CB-CE2 3.45Å; P119-Y162 HydrophobicContact CG-CD2 3.95Å; P119-Y162 HydrophobicContact CG-CE2 3.68Å; I134-Y162 HydrophobicContact CD1-CE1 4.03Å; I134-Y162 HydrophobicContact CG2-CE1 4.31Å; I134-Y162 WeakPolarHBondContact CG2-OH 3.36Å; L137-Y162 HydrophobicContact CD1-CD1 4.17Å; L137-Y162 HydrophobicContact CD1-CE1 4.17Å; L137-Y162 HydrophobicContact CD2-CD1 4.27Å; L137-Y162 HydrophobicContact CD2-CD2 3.8Å; L137-Y162 HydrophobicContact CD2-CE2 4.17Å; L137-Y162 HydrophobicContact CD2-CG 3.86Å; L155-Y162 HydrophobicContact CD2-CD1 4Å; L155-Y162 HydrophobicContact CD2-CE1 3.84Å; T157-Y162 PolarHBondContact N-O 2.91Å; T157-Y162 PolarHBondContact OG1-N 2.85Å; T157-Y162 PolarHBondContact OG1-O 2.82Å; Y162-K164 HydrophobicContact CE1-CB 3.85Å
163	Y	97.9	Very high	97.3	Very high	124 Å²	124	57.1 Å²	57.1	49%	0.486	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135	174.9	176	-92.4	0	0	0	108.9	L154 L155 R156 K165	L154-Y163 HydrophobicContact CD2-CE2 4.29Å; L155-Y163 CarbonylContact O-C 3.35Å; L155-Y163 WeakPolarHBondContact O-CA 3.4Å; R156-Y163 HydrophobicContact CG-CD2 3.86Å; R156-Y163 HydrophobicContact CG-CE2 4.08Å; Y163-K165 HydrophobicContact CE1-CB 3.97Å
164	K	98.3	Very high	97	Very high	70 Å²	70	57.6 Å²	57.6	30%	0.304	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	129.2	172	-170.3	76.1	176.5	-174.8	0	109.5	F121 L154 L155 Y162 F166	F121-K164 HydrophobicContact CD2-CD 4.32Å; F121-K164 HydrophobicContact CD2-CG 4.1Å; F121-K164 HydrophobicContact CE2-CG 4.05Å; L154-K164 WeakPolarHBondContact CA-O 3.43Å; L155-K164 HydrophobicContact CB-CB 4.35Å; L155-K164 PolarHBondContact N-O 3.01Å; L155-K164 PolarHBondContact O-N 3.49Å; Y162-K164 HydrophobicContact CE1-CB 3.85Å; K164-F166 HydrophobicContact CG-CD1 4.01Å
165	K	98.2	Very high	96.7	Very high	95 Å²	95	58.9 Å²	58.9	41%	0.413	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.6	169.2	-177.8	175.3	179	173.1	0	108.3	N152 I153 L154 Y163	N152-K165 HydrophobicContact CB-CD 4.29Å; N152-K165 VanDerWaalsContact CB-CE 3.47Å; N152-K165 HydrophobicContact CB-CG 3.82Å; N152-K165 WeakPolarHBondContact ND2-CE 3.45Å; I153-K165 WeakPolarHBondContact O-CA 3.39Å; L154-K165 HydrophobicContact CD1-CD 4.42Å; L154-K165 HydrophobicContact CD1-CG 4.15Å; L154-K165 HydrophobicContact CG-CB 4.45Å; L154-K165 HydrophobicContact CG-CG 4.23Å; Y163-K165 HydrophobicContact CE1-CB 3.97Å
166	F	98.3	Very high	96.5	Very high	18 Å²	18	60.1 Å²	60.1	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.9	177.6	63.4	-78.6	0	0	0	109.9	F121 W132 N152 I153 K164 I194	F121-F166 HydrophobicContact CE2-CD1 4.11Å; F121-F166 HydrophobicContact CE2-CE1 4.12Å; F121-F166 HydrophobicContact CE2-CG 4.42Å; F121-F166 HydrophobicContact CE2-CZ 4.44Å; F121-F166 HydrophobicContact CZ-CB 4.28Å; F121-F166 AromaticContact CZ-CD1 3.92Å; F121-F166 HydrophobicContact CZ-CD1 3.92Å; F121-F166 AromaticContact CZ-CD2 3.94Å; F121-F166 HydrophobicContact CZ-CD2 3.94Å; F121-F166 HydrophobicContact CZ-CE1 4.21Å; F121-F166 HydrophobicContact CZ-CE2 4.22Å; F121-F166 AromaticContact CZ-CG 3.78Å; F121-F166 HydrophobicContact CZ-CG 3.78Å; F121-F166 HydrophobicContact CZ-CZ 4.34Å; W132-F166 HydrophobicContact CD2-CD2 4.31Å; W132-F166 AromaticContact CD2-CE2 3.52Å; W132-F166 HydrophobicContact CD2-CE2 3.52Å; W132-F166 HydrophobicContact CD2-CZ 4.11Å; W132-F166 AromaticContact CE2-CD2 3.83Å; W132-F166 AromaticContact CE2-CE2 3.44Å; W132-F166 VanDerWaalsContact CE2-CE2 3.44Å; W132-F166 AromaticContact CE3-CE2 3.81Å; W132-F166 HydrophobicContact CE3-CE2 3.81Å; W132-F166 HydrophobicContact CE3-CZ 4.22Å; W132-F166 HydrophobicContact CG-CE2 4.1Å; W132-F166 HydrophobicContact CG-CZ 4.46Å; W132-F166 AromaticContact CH2-CE2 3.98Å; W132-F166 HydrophobicContact CH2-CE2 3.98Å; W132-F166 HydrophobicContact CZ2-CD2 4.04Å; W132-F166 AromaticContact CZ2-CE2 3.68Å; W132-F166 HydrophobicContact CZ2-CE2 3.68Å; W132-F166 HydrophobicContact CZ3-CE2 4.04Å; W132-F166 AromaticContact NE1-CD2 3.93Å; W132-F166 AromaticContact NE1-CE2 3.91Å; N152-F166 CarbonylContact C-O 3.51Å; N152-F166 WeakPolarHBondContact CA-O 3.45Å; I153-F166 HydrophobicContact CB-CD1 4.38Å; I153-F166 HydrophobicContact CB-CE1 3.93Å; I153-F166 HydrophobicContact CB-CE2 4.06Å; I153-F166 HydrophobicContact CB-CZ 3.76Å; I153-F166 HydrophobicContact CD1-CE2 3.94Å; I153-F166 HydrophobicContact CD1-CZ 4.1Å; I153-F166 HydrophobicContact CG1-CE2 4.43Å; I153-F166 HydrophobicContact CG1-CZ 4.47Å; I153-F166 HydrophobicContact CG2-CE1 3.78Å; I153-F166 HydrophobicContact CG2-CE2 4.4Å; I153-F166 HydrophobicContact CG2-CZ 3.65Å; I153-F166 PolarHBondContact N-O 2.93Å; I153-F166 PolarHBondContact O-N 3.36Å; K164-F166 HydrophobicContact CG-CD1 4.01Å; F166-I194 HydrophobicContact CE1-CD1 4.08Å; F166-I194 HydrophobicContact CZ-CD1 3.96Å; F166-I194 HydrophobicContact CZ-CG2 4.5Å
167	N	97.5	Very high	96.4	Very high	64 Å²	64	58.8 Å²	58.8	34%	0.342	29%	0.293	S	S	.	.			trans	-106.3	176.7	173.3	67.2	-28.1	0	0	0	110.7	P169	N167-P169 WeakPolarHBondContact O-CD 3.44Å
168	I	98	Very high	96.4	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.296	C	S	.	.			trans	-109.7	99.3	168.9	-49.2	-174.5	0	0	0	106.9	F130 W132 I153 D170 M171 T172 L178 Y196	F130-I168 HydrophobicContact CD1-CG2 4.37Å; F130-I168 HydrophobicContact CD2-CD1 3.96Å; F130-I168 HydrophobicContact CD2-CG2 3.64Å; F130-I168 HydrophobicContact CE1-CG2 4.37Å; F130-I168 HydrophobicContact CE2-CG2 3.65Å; F130-I168 HydrophobicContact CG-CG2 3.99Å; F130-I168 HydrophobicContact CZ-CG2 3.99Å; W132-I168 HydrophobicContact CH2-CD1 3.68Å; W132-I168 HydrophobicContact CH2-CG1 3.63Å; W132-I168 HydrophobicContact CH2-CG2 4.46Å; W132-I168 HydrophobicContact CZ2-CG1 4.05Å; W132-I168 HydrophobicContact CZ3-CD1 4.44Å; I153-I168 HydrophobicContact CD1-CD1 3.99Å; I153-I168 HydrophobicContact CD1-CG1 4.16Å; I168-D170 HydrophobicContact CG2-CB 4.31Å; I168-D170 PolarHBondContact O-N 2.61Å; I168-D170 VanDerWaalsContact O-N 3.13Å; I168-M171 HydrophobicContact CB-CB 4.03Å; I168-M171 HydrophobicContact CB-CG 3.75Å; I168-M171 HydrophobicContact CD1-CG 4.2Å; I168-M171 HydrophobicContact CG2-CB 4.31Å; I168-M171 HydrophobicContact CG2-CG 3.72Å; I168-M171 WeakPolarHBondContact O-CB 3.25Å; I168-M171 PolarHBondContact O-N 3Å; I168-T172 PolarHBondContact O-N 3.06Å; I168-T172 PolarHBondContact O-OG1 2.83Å; I168-L178 HydrophobicContact CB-CD2 4.25Å; I168-L178 HydrophobicContact CD1-CD2 3.7Å; I168-L178 HydrophobicContact CG1-CD2 3.93Å; I168-Y196 HydrophobicContact CD1-CD1 3.75Å; I168-Y196 HydrophobicContact CD1-CD2 3.69Å; I168-Y196 HydrophobicContact CD1-CE1 4.2Å; I168-Y196 HydrophobicContact CD1-CE2 4.17Å; I168-Y196 HydrophobicContact CD1-CG 3.49Å; I168-Y196 VanDerWaalsContact CD1-CG 3.49Å
169	P	96.9	Very high	96.4	Very high	29 Å²	29	59.5 Å²	59.5	19%	0.188	29%	0.293	C	S	.	.	H	α-helix	trans	-54.3	-34.7	-176.3	-31	38.1	0	0	0	113.6	E97 N167 M171 T172 R173	E97-P169 HydrophobicContact CG-CB 4.38Å; E97-P169 HydrophobicContact CG-CG 4.08Å; E97-P169 WeakPolarHBondContact OE2-CB 3.33Å; N167-P169 WeakPolarHBondContact O-CD 3.44Å; P169-M171 PolarHBondContact O-N 3.39Å; P169-T172 PolarHBondContact O-N 2.54Å; P169-R173 WeakPolarHBondContact O-CB 3.49Å; P169-R173 VanDerWaalsContact O-CG 3.29Å; P169-R173 WeakPolarHBondContact O-CG 3.07Å; P169-R173 PolarHBondContact O-N 2.94Å
170	D	96.7	Very high	96.4	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-43	175.4	-55.1	-90.8	0	0	0	112.2	R80 R123 F130 I168 R173 M174 I202	R80-D170 IonicContact CZ-OD1 2.96Å; R80-D170 IonicContact NH1-OD1 2.87Å; R80-D170 PolarHBondContact NH1-OD1 2.8Å; R80-D170 IonicContact NH1-OD2 2.87Å; R123-D170 IonicContact CZ-OD2 3.35Å; R123-D170 VanDerWaalsContact CZ-OD2 3.25Å; R123-D170 IonicContact NH1-OD2 3.85Å; R123-D170 PolarHBondContact NH1-OD2 2.76Å; R123-D170 IonicContact NH2-OD2 2.73Å; R123-D170 PolarHBondContact NH2-OD2 2.95Å; F130-D170 HydrophobicContact CE1-CB 3.91Å; F130-D170 HydrophobicContact CZ-CB 3.59Å; I168-D170 HydrophobicContact CG2-CB 4.31Å; I168-D170 PolarHBondContact O-N 2.61Å; I168-D170 VanDerWaalsContact O-N 3.13Å; D170-R173 PolarHBondContact O-N 2.88Å; D170-R173 IonicContact OD1-CZ 3.93Å; D170-R173 IonicContact OD1-NH2 3.97Å; D170-R173 PolarHBondContact OD1-NH2 3.19Å; D170-R173 IonicContact OD2-NH2 3.58Å; D170-R173 PolarHBondContact OD2-NH2 3.19Å; D170-M174 WeakPolarHBondContact O-CB 3.04Å; D170-M174 WeakPolarHBondContact O-CG 3.2Å; D170-M174 PolarHBondContact O-N 3.17Å; D170-M174 VanDerWaalsContact O-N 3.13Å; D170-I202 HydrophobicContact CB-CD1 4.4Å
171	M	96.8	Very high	96.5	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-43	175.4	-63.8	-69.9	-69.8	0	0	110.9	F130 I168 P169 M174 G175 L176 P177 L178 Y196 P199 I202	F130-M171 HydrophobicContact CE2-CG 4.18Å; F130-M171 HydrophobicContact CE2-SD 4.31Å; I168-M171 HydrophobicContact CB-CB 4.03Å; I168-M171 HydrophobicContact CB-CG 3.75Å; I168-M171 HydrophobicContact CD1-CG 4.2Å; I168-M171 HydrophobicContact CG2-CB 4.31Å; I168-M171 HydrophobicContact CG2-CG 3.72Å; I168-M171 WeakPolarHBondContact O-CB 3.25Å; I168-M171 PolarHBondContact O-N 3Å; P169-M171 PolarHBondContact O-N 3.39Å; M171-M174 CarbonylContact O-C 3.58Å; M171-M174 PolarHBondContact O-N 2.96Å; M171-G175 PolarHBondContact O-N 2.84Å; M171-L176 HydrophobicContact CE-CB 3.4Å; M171-L176 HydrophobicContact CE-CD1 4.34Å; M171-L176 PolarHBondContact O-N 2.72Å; M171-L176 HydrophobicContact SD-CB 3.97Å; M171-L176 HydrophobicContact SD-CD1 4.07Å; M171-P177 WeakPolarHBondContact CE-O 3.27Å; M171-L178 HydrophobicContact CB-CD2 3.94Å; M171-L178 HydrophobicContact CE-CD2 4.16Å; M171-L178 HydrophobicContact CG-CD2 3.78Å; M171-Y196 HydrophobicContact CE-CE1 4.32Å; M171-Y196 HydrophobicContact SD-CE1 4.43Å; M171-P199 HydrophobicContact CE-CG 3.94Å; M171-P199 HydrophobicContact SD-CG 3.88Å; M171-I202 HydrophobicContact SD-CD1 4.11Å; M171-I202 HydrophobicContact SD-CG1 3.83Å
172	T	95.3	Very high	96.6	Very high	88 Å²	88	55.8 Å²	55.8	54%	0.54	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-45.8	176.5	-54	0	0	0	0	111.8	I168 P169 M174 G175	I168-T172 PolarHBondContact O-N 3.06Å; I168-T172 PolarHBondContact O-OG1 2.83Å; P169-T172 PolarHBondContact O-N 2.54Å; T172-M174 PolarHBondContact O-N 3.41Å; T172-G175 PolarHBondContact O-N 2.69Å
173	R	93.7	Very high	96.7	Very high	65 Å²	65	55.2 Å²	55.2	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-31.9	177.7	-77.1	-173.7	-70.9	-98.4	5.3	112.8	W36 R80 E97 P169 D170	W36-R173 HydrophobicContact CE3-CG 4.33Å; W36-R173 HydrophobicContact CZ3-CG 4.44Å; R80-R173 VanDerWaalsContact NH1-NH2 3.11Å; E97-R173 IonicContact OE1-CZ 3.92Å; E97-R173 IonicContact OE1-NH1 2.73Å; E97-R173 IonicContact OE1-NH2 3.78Å; E97-R173 PolarHBondContact OE1-NH2 3.21Å; E97-R173 IonicContact OE2-CZ 2.72Å; E97-R173 IonicContact OE2-NH1 3.76Å; E97-R173 PolarHBondContact OE2-NH1 2.72Å; E97-R173 IonicContact OE2-NH2 3.25Å; E97-R173 PolarHBondContact OE2-NH2 2.8Å; P169-R173 WeakPolarHBondContact O-CB 3.49Å; P169-R173 VanDerWaalsContact O-CG 3.29Å; P169-R173 WeakPolarHBondContact O-CG 3.07Å; P169-R173 PolarHBondContact O-N 2.94Å; D170-R173 PolarHBondContact O-N 2.88Å; D170-R173 IonicContact OD1-CZ 3.93Å; D170-R173 IonicContact OD1-NH2 3.97Å; D170-R173 PolarHBondContact OD1-NH2 3.19Å; D170-R173 IonicContact OD2-NH2 3.58Å; D170-R173 PolarHBondContact OD2-NH2 3.19Å
174	M	92.8	Very high	96.7	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.049	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.5	-178.3	-64.5	-71.6	-68.5	0	0	112.8	T33 W36 D170 M171 T172 L176 I202 N205	T33-M174 VanDerWaalsContact CB-CE 3.46Å; T33-M174 HydrophobicContact CG2-CE 3.84Å; T33-M174 VanDerWaalsContact O-CE 3.27Å; T33-M174 WeakPolarHBondContact O-CE 3.44Å; W36-M174 HydrophobicContact CB-SD 3.96Å; D170-M174 WeakPolarHBondContact O-CB 3.04Å; D170-M174 WeakPolarHBondContact O-CG 3.2Å; D170-M174 PolarHBondContact O-N 3.17Å; D170-M174 VanDerWaalsContact O-N 3.13Å; M171-M174 CarbonylContact O-C 3.58Å; M171-M174 PolarHBondContact O-N 2.96Å; T172-M174 PolarHBondContact O-N 3.41Å; M174-L176 HydrophobicContact CB-CD1 3.93Å; M174-L176 HydrophobicContact CB-CG 3.92Å; M174-L176 PolarHBondContact O-N 3.44Å; M174-I202 HydrophobicContact CB-CD1 4.03Å; M174-I202 HydrophobicContact CG-CD1 3.69Å; M174-N205 HydrophobicContact CE-CB 3.74Å; M174-N205 HydrophobicContact SD-CB 4.3Å; M174-N205 PolarHBondContact SD-ND2 2.96Å
175	G	92.5	Very high	96.7	Very high	28 Å²	28	51 Å²	51	29%	0.289	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.3	-178.9	0	0	0	0	0	114.2	M171 T172	M171-G175 PolarHBondContact O-N 2.84Å; T172-G175 PolarHBondContact O-N 2.69Å
176	L	94.6	Very high	96.7	Very high	27 Å²	27	50.2 Å²	50.2	14%	0.141	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-90.7	131.6	-173.9	-62.8	174.4	0	0	0	110.9	M171 M174 E201 I202	M171-L176 HydrophobicContact CE-CB 3.4Å; M171-L176 HydrophobicContact CE-CD1 4.34Å; M171-L176 PolarHBondContact O-N 2.72Å; M171-L176 HydrophobicContact SD-CB 3.97Å; M171-L176 HydrophobicContact SD-CD1 4.07Å; M174-L176 HydrophobicContact CB-CD1 3.93Å; M174-L176 HydrophobicContact CB-CG 3.92Å; M174-L176 PolarHBondContact O-N 3.44Å; L176-E201 HydrophobicContact CD1-CB 4.02Å; L176-I202 HydrophobicContact CD1-CD1 3.81Å; L176-I202 HydrophobicContact CD1-CG1 3.91Å
177	P	96.2	Very high	96.7	Very high	79 Å²	79	51.6 Å²	51.6	51%	0.513	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-70.5	149.9	175.1	30.4	-34.8	0	0	0	111.2	M171	M171-P177 WeakPolarHBondContact CE-O 3.27Å
178	L	98	Very high	96.7	Very high	24 Å²	24	51.2 Å²	51.2	13%	0.126	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-79.1	141.7	172.2	-63.2	-175.5	0	0	0	110.7	V148 G151 I153 I168 M171 Y196	V148-L178 HydrophobicContact CG1-CB 3.56Å; V148-L178 HydrophobicContact CG1-CD1 4.36Å; V148-L178 HydrophobicContact CG2-CB 4.19Å; G151-L178 WeakPolarHBondContact O-CD1 3.43Å; I153-L178 HydrophobicContact CG1-CD1 3.84Å; I168-L178 HydrophobicContact CB-CD2 4.25Å; I168-L178 HydrophobicContact CD1-CD2 3.7Å; I168-L178 HydrophobicContact CG1-CD2 3.93Å; M171-L178 HydrophobicContact CB-CD2 3.94Å; M171-L178 HydrophobicContact CE-CD2 4.16Å; M171-L178 HydrophobicContact CG-CD2 3.78Å; L178-Y196 WeakPolarHBondContact CA-OH 3.5Å; L178-Y196 HydrophobicContact CB-CE2 4.45Å; L178-Y196 HydrophobicContact CD2-CE2 4.05Å
179	N	97.2	Very high	96.6	Very high	79 Å²	79	58.7 Å²	58.7	42%	0.422	33%	0.328	S	S	.	.			trans	-121.9	117.4	176.5	-177.7	-10.1	0	0	0	110	K181 S182 Y196	N179-K181 PolarHBondContact O-N 2.71Å; N179-K181 WeakPolarHBondContact OD1-CB 3.45Å; N179-K181 PolarHBondContact OD1-N 3.45Å; N179-S182 WeakPolarHBondContact O-CB 3.46Å; N179-S182 PolarHBondContact O-N 2.92Å; N179-Y196 PolarHBondContact N-OH 2.82Å; N179-Y196 WeakPolarHBondContact O-CE2 3.41Å
180	E	97.4	Very high	96.6	Very high	101 Å²	101	61.5 Å²	61.5	47%	0.472	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-57.6	-32.6	-179.1	-166.6	173.6	123	0	0	112.9	S147 V148 S182 I183	S147-E180 WeakPolarHBondContact CA-OE2 3.23Å; V148-E180 HydrophobicContact CB-CB 4.48Å; V148-E180 HydrophobicContact CG2-CB 4Å; V148-E180 HydrophobicContact CG2-CG 4.46Å; V148-E180 PolarHBondContact N-OE2 3.38Å; E180-S182 PolarHBondContact O-N 3.39Å; E180-S182 VanDerWaalsContact O-N 3.15Å; E180-I183 WeakPolarHBondContact O-CB 3.36Å; E180-I183 PolarHBondContact O-N 2.88Å
181	K	97.8	Very high	96.6	Very high	194 Å²	194	62 Å²	62	84%	0.843	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-65.3	-17.3	176.9	-61.4	-178.4	179.9	178.8	0	113.6	N179 I183	N179-K181 PolarHBondContact O-N 2.71Å; N179-K181 WeakPolarHBondContact OD1-CB 3.45Å; N179-K181 PolarHBondContact OD1-N 3.45Å; K181-I183 VanDerWaalsContact C-N 3.27Å
182	S	98.3	Very high	96.7	Very high	31 Å²	31	61.8 Å²	61.8	22%	0.217	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-83.9	-6.8	176.3	-58.2	0	0	0	0	112.5	N179 E180 Y196 K197	N179-S182 WeakPolarHBondContact O-CB 3.46Å; N179-S182 PolarHBondContact O-N 2.92Å; E180-S182 PolarHBondContact O-N 3.39Å; E180-S182 VanDerWaalsContact O-N 3.15Å; S182-Y196 WeakPolarHBondContact O-CA 3.28Å; S182-K197 PolarHBondContact O-N 3.28Å
183	I	98.6	Very high	96.8	Very high	20 Å²	20	59 Å²	59	10%	0.103	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.7	-179.7	-56.1	171.7	0	0	0	109.8	V146 V148 I153 E180 K181 L185 I194 S195 Y196	V146-I183 HydrophobicContact CB-CG2 4.47Å; V146-I183 HydrophobicContact CG1-CB 4.42Å; V146-I183 HydrophobicContact CG1-CG2 3.84Å; V146-I183 HydrophobicContact CG2-CD1 3.88Å; V146-I183 HydrophobicContact CG2-CG2 4.02Å; V148-I183 HydrophobicContact CG2-CD1 3.78Å; I153-I183 HydrophobicContact CD1-CD1 4.01Å; I153-I183 HydrophobicContact CD1-CG1 4.42Å; I153-I183 HydrophobicContact CG1-CD1 4.11Å; I153-I183 HydrophobicContact CG2-CD1 4.09Å; E180-I183 WeakPolarHBondContact O-CB 3.36Å; E180-I183 PolarHBondContact O-N 2.88Å; K181-I183 VanDerWaalsContact C-N 3.27Å; I183-L185 HydrophobicContact CG2-CD2 4.46Å; I183-I194 HydrophobicContact CG2-CG2 4.02Å; I183-S195 CarbonylContact C-O 3.54Å; I183-S195 WeakPolarHBondContact CA-O 3.25Å; I183-Y196 HydrophobicContact CD1-CD2 4.38Å; I183-Y196 HydrophobicContact CG1-CD2 3.62Å; I183-Y196 HydrophobicContact CG1-CE2 4.12Å
184	S	98.3	Very high	97	Very high	65 Å²	65	55.9 Å²	55.9	46%	0.455	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.8	168.7	54.6	0	0	0	0	110.4	S195	S184-S195 PolarHBondContact N-O 2.8Å; S184-S195 PolarHBondContact O-N 3.11Å
185	L	98.5	Very high	97.3	Very high	39 Å²	39	56 Å²	56	20%	0.204	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.9	179.5	-59.4	-178	0	0	0	109.4	L141 V146 I183 L192 L193 I194	L141-L185 HydrophobicContact CD1-CB 3.8Å; V146-L185 HydrophobicContact CB-CD1 4.31Å; V146-L185 HydrophobicContact CG1-CD1 4.19Å; V146-L185 HydrophobicContact CG1-CG 4.45Å; I183-L185 HydrophobicContact CG2-CD2 4.46Å; L185-L192 HydrophobicContact CB-CD1 4.46Å; L185-L193 WeakPolarHBondContact CA-O 3.31Å; L185-I194 HydrophobicContact CD2-CB 4.05Å; L185-I194 HydrophobicContact CD2-CG1 3.72Å; L185-I194 HydrophobicContact CD2-CG2 3.9Å
186	T	98	Very high	97.6	Very high	79 Å²	79	54.8 Å²	54.8	49%	0.485	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.4	166.1	55.6	0	0	0	0	108.7	L193	T186-L193 PolarHBondContact N-O 2.79Å; T186-L193 PolarHBondContact O-N 3.32Å; T186-L193 WeakPolarHBondContact OG1-CB 3.14Å
187	H	98.1	Very high	97.8	Very high	47 Å²	47	60.6 Å²	60.6	22%	0.218	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.3	-179.2	-179.3	-92.6	0	0	0	109.9	L137 Y139 L141 Y144 T191 L192	L137-H187 PolarHBondContact O-NE2 3.16Å; Y139-H187 PolarHBondContact O-CE1 3.03Å; Y139-H187 PolarHBondContact O-NE2 2.49Å; L141-H187 HydrophobicContact CB-CB 4.18Å; L141-H187 HydrophobicContact CD1-CB 3.97Å; Y144-H187 AromaticContact CE2-CD2 3.97Å; H187-T191 WeakPolarHBondContact CA-O 3.46Å; H187-T191 PolarHBondContact CD2-O 3.2Å; H187-L192 HydrophobicContact CB-CD1 4.12Å
188	A	97.1	Very high	97.9	Very high	57 Å²	57	57.4 Å²	57.4	47%	0.471	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149.7	175.8	0	0	0	0	0	109.3	N190 T191	A188-N190 VanDerWaalsContact C-N 3.33Å; A188-N190 PolarHBondContact O-N 2.68Å; A188-T191 PolarHBondContact N-O 2.96Å; A188-T191 VanDerWaalsContact N-O 3.11Å; A188-T191 WeakPolarHBondContact O-CA 2.95Å; A188-T191 WeakPolarHBondContact O-CB 3.4Å; A188-T191 PolarHBondContact O-N 3.3Å; A188-T191 VanDerWaalsContact O-O 3.13Å
189	N	95.7	Very high	97.9	Very high	157 Å²	157	57.8 Å²	57.8	84%	0.84	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	49.9	173.3	-54.4	-37.8	0	0	0	112.9	T191	N189-T191 PolarHBondContact O-N 2.79Å; N189-T191 PolarHBondContact O-OG1 2.94Å
190	N	96.2	Very high	97.9	Very high	89 Å²	89	60.1 Å²	60.1	48%	0.476	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	25	-177.1	-59.6	-22.7	0	0	0	114.6	R135 N136 L137 A188	R135-N190 CarbonylContact C-O 3.6Å; N136-N190 PolarHBondContact N-O 2.72Å; L137-N190 PolarHBondContact N-O 2.77Å; L137-N190 CarbonylContact O-C 3.56Å; L137-N190 WeakPolarHBondContact O-CA 3.39Å; A188-N190 VanDerWaalsContact C-N 3.33Å; A188-N190 PolarHBondContact O-N 2.68Å
191	T	97.3	Very high	97.8	Very high	19 Å²	19	59.6 Å²	59.6	12%	0.117	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.6	-179.2	-56.7	0	0	0	0	110	R133 I134 R135 H187 A188 N189	R133-T191 HydrophobicContact CB-CG2 4.35Å; I134-T191 CarbonylContact O-C 3.49Å; I134-T191 WeakPolarHBondContact O-CA 3.36Å; R135-T191 HydrophobicContact CG-CG2 4.27Å; H187-T191 WeakPolarHBondContact CA-O 3.46Å; H187-T191 PolarHBondContact CD2-O 3.2Å; A188-T191 PolarHBondContact N-O 2.96Å; A188-T191 VanDerWaalsContact N-O 3.11Å; A188-T191 WeakPolarHBondContact O-CA 2.95Å; A188-T191 WeakPolarHBondContact O-CB 3.4Å; A188-T191 PolarHBondContact O-N 3.3Å; A188-T191 VanDerWaalsContact O-O 3.13Å; N189-T191 PolarHBondContact O-N 2.79Å; N189-T191 PolarHBondContact O-OG1 2.94Å
192	L	98.4	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.2	168.3	-173.5	72	0	0	0	109	I134 L137 L141 Y144 L155 L185 H187 I194	I134-L192 HydrophobicContact CB-CB 4.39Å; I134-L192 HydrophobicContact CD1-CD2 4.44Å; I134-L192 PolarHBondContact N-O 3.01Å; I134-L192 PolarHBondContact O-N 3.31Å; L137-L192 HydrophobicContact CD1-CB 4.05Å; L137-L192 HydrophobicContact CD1-CD2 4.32Å; L141-L192 HydrophobicContact CD1-CD1 4.07Å; Y144-L192 HydrophobicContact CD1-CD2 3.84Å; Y144-L192 HydrophobicContact CD2-CD1 3.82Å; Y144-L192 HydrophobicContact CE1-CD2 4.18Å; Y144-L192 HydrophobicContact CE2-CD1 4.11Å; Y144-L192 HydrophobicContact CG-CD1 4.07Å; Y144-L192 HydrophobicContact CG-CD2 4.05Å; L155-L192 HydrophobicContact CD1-CD2 3.84Å; L155-L192 HydrophobicContact CD2-CD2 3.47Å; L155-L192 VanDerWaalsContact CD2-CD2 3.47Å; L155-L192 HydrophobicContact CG-CD2 4.32Å; L185-L192 HydrophobicContact CB-CD1 4.46Å; H187-L192 HydrophobicContact CB-CD1 4.12Å; L192-I194 HydrophobicContact CD2-CG1 4.24Å; L192-I194 HydrophobicContact CG-CG1 4.41Å
193	L	98.3	Very high	97.6	Very high	29 Å²	29	51 Å²	51	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.5	170.8	176.7	70.1	0	0	0	108.9	Q131 W132 R133 L185 T186	Q131-L193 HydrophobicContact CB-CD1 4.26Å; Q131-L193 HydrophobicContact CG-CD1 4.13Å; W132-L193 WeakPolarHBondContact O-CA 3.32Å; R133-L193 HydrophobicContact CG-CD1 3.78Å; L185-L193 WeakPolarHBondContact CA-O 3.31Å; T186-L193 PolarHBondContact N-O 2.79Å; T186-L193 PolarHBondContact O-N 3.32Å; T186-L193 WeakPolarHBondContact OG1-CB 3.14Å
194	I	98.7	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.9	171.9	-47.8	178.5	0	0	0	107.1	Q131 W132 I134 L155 F166 I183 L185 L192	Q131-I194 CarbonylContact C-O 3.6Å; Q131-I194 VanDerWaalsContact CA-O 3.32Å; Q131-I194 WeakPolarHBondContact CA-O 3.32Å; W132-I194 HydrophobicContact CB-CB 4.35Å; W132-I194 HydrophobicContact CE3-CB 4.31Å; W132-I194 HydrophobicContact CE3-CG2 4.26Å; W132-I194 PolarHBondContact N-O 2.87Å; W132-I194 PolarHBondContact O-N 3.18Å; I134-I194 HydrophobicContact CD1-CD1 3.96Å; L155-I194 HydrophobicContact CD2-CD1 4.06Å; F166-I194 HydrophobicContact CE1-CD1 4.08Å; F166-I194 HydrophobicContact CZ-CD1 3.96Å; F166-I194 HydrophobicContact CZ-CG2 4.5Å; I183-I194 HydrophobicContact CG2-CG2 4.02Å; L185-I194 HydrophobicContact CD2-CB 4.05Å; L185-I194 HydrophobicContact CD2-CG1 3.72Å; L185-I194 HydrophobicContact CD2-CG2 3.9Å; L192-I194 HydrophobicContact CD2-CG1 4.24Å; L192-I194 HydrophobicContact CG-CG1 4.41Å
195	S	98.7	Very high	97.3	Very high	13 Å²	13	51.4 Å²	51.4	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.8	173.5	-53.5	0	0	0	0	110	F130 Q131 I183 S184	F130-S195 CarbonylContact O-C 3.57Å; F130-S195 WeakPolarHBondContact O-CA 3.37Å; Q131-S195 WeakPolarHBondContact CG-OG 3.47Å; Q131-S195 PolarHBondContact NE2-OG 3.3Å; I183-S195 CarbonylContact C-O 3.54Å; I183-S195 WeakPolarHBondContact CA-O 3.25Å; S184-S195 PolarHBondContact N-O 2.8Å; S184-S195 PolarHBondContact O-N 3.11Å
196	Y	98.8	Very high	97.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	170.8	-173.3	-76.1	0	0	0	109	A129 F130 I153 I168 M171 L178 N179 S182 I183 K198	A129-Y196 CarbonylContact C-O 3.57Å; A129-Y196 WeakPolarHBondContact CA-O 3.44Å; A129-Y196 WeakPolarHBondContact CB-O 3.32Å; F130-Y196 AromaticContact CD2-CD1 3.95Å; F130-Y196 HydrophobicContact CD2-CD1 3.95Å; F130-Y196 PolarHBondContact N-O 2.95Å; F130-Y196 PolarHBondContact O-N 2.98Å; I153-Y196 HydrophobicContact CD1-CD2 3.99Å; I168-Y196 HydrophobicContact CD1-CD1 3.75Å; I168-Y196 HydrophobicContact CD1-CD2 3.69Å; I168-Y196 HydrophobicContact CD1-CE1 4.2Å; I168-Y196 HydrophobicContact CD1-CE2 4.17Å; I168-Y196 HydrophobicContact CD1-CG 3.49Å; I168-Y196 VanDerWaalsContact CD1-CG 3.49Å; M171-Y196 HydrophobicContact CE-CE1 4.32Å; M171-Y196 HydrophobicContact SD-CE1 4.43Å; L178-Y196 WeakPolarHBondContact CA-OH 3.5Å; L178-Y196 HydrophobicContact CB-CE2 4.45Å; L178-Y196 HydrophobicContact CD2-CE2 4.05Å; N179-Y196 PolarHBondContact N-OH 2.82Å; N179-Y196 WeakPolarHBondContact O-CE2 3.41Å; S182-Y196 WeakPolarHBondContact O-CA 3.28Å; I183-Y196 HydrophobicContact CD1-CD2 4.38Å; I183-Y196 HydrophobicContact CG1-CD2 3.62Å; I183-Y196 HydrophobicContact CG1-CE2 4.12Å; Y196-K198 PolarHBondContact O-N 2.88Å
197	K	98.7	Very high	96.9	Very high	149 Å²	149	51.5 Å²	51.5	65%	0.648	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	125.9	179	-175.3	-177.5	176.3	-173	0	110.3	S182 P199	S182-K197 PolarHBondContact O-N 3.28Å; K197-P199 WeakPolarHBondContact O-CD 3.1Å
198	K	98	Very high	96.7	Very high	11 Å²	11	52.1 Å²	52.1	5%	0.048	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.9	128.9	177.3	-72.1	175.5	177.3	-177.9	0	110.1	V126 R128 F130 Y196 I202 L203 E206	V126-K198 PolarHBondContact O-NZ 3.35Å; R128-K198 PolarHBondContact O-N 2.72Å; F130-K198 HydrophobicContact CD1-CG 4.31Å; F130-K198 HydrophobicContact CD2-CG 4Å; F130-K198 HydrophobicContact CE1-CD 4.33Å; F130-K198 HydrophobicContact CE1-CG 4.2Å; F130-K198 HydrophobicContact CE2-CG 3.87Å; F130-K198 HydrophobicContact CG-CG 4.25Å; F130-K198 HydrophobicContact CZ-CD 4.49Å; F130-K198 HydrophobicContact CZ-CG 4Å; Y196-K198 PolarHBondContact O-N 2.88Å; K198-I202 HydrophobicContact CB-CB 4.46Å; K198-I202 HydrophobicContact CB-CG2 4.2Å; K198-I202 HydrophobicContact CD-CG2 4.08Å; K198-I202 HydrophobicContact CG-CG2 4.06Å; K198-L203 HydrophobicContact CB-CD2 3.82Å; K198-L203 HydrophobicContact CB-CG 3.99Å; K198-L203 HydrophobicContact CD-CD2 3.76Å; K198-L203 HydrophobicContact CG-CD2 4.44Å; K198-E206 VanDerWaalsContact CE-OE1 3.23Å; K198-E206 WeakPolarHBondContact CE-OE1 3.38Å; K198-E206 IonicContact NZ-OE1 3.13Å; K198-E206 PolarHBondContact NZ-OE1 3.11Å; K198-E206 IonicContact NZ-OE2 2.72Å; K198-E206 PolarHBondContact NZ-OE2 3.24Å
199	P	97.7	Very high	96.6	Very high	32 Å²	32	49.6 Å²	49.6	21%	0.208	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-62.8	159	165.7	-20.2	32.8	0	0	0	111.6	M171 K197 E201 I202 L203	M171-P199 HydrophobicContact CE-CG 3.94Å; M171-P199 HydrophobicContact SD-CG 3.88Å; K197-P199 WeakPolarHBondContact O-CD 3.1Å; P199-E201 WeakPolarHBondContact CB-OE2 3.34Å; P199-E201 PolarHBondContact O-N 3.4Å; P199-I202 HydrophobicContact CG-CG1 4.36Å; P199-I202 WeakPolarHBondContact O-CB 3.36Å; P199-I202 PolarHBondContact O-N 2.95Å; P199-I202 VanDerWaalsContact O-N 3.17Å; P199-L203 PolarHBondContact O-N 2.94Å
200	D	96.5	Very high	96.5	Very high	128 Å²	128	46.8 Å²	46.8	68%	0.684	23%	0.227	S	C	*	.	H	α-helix	trans	-65.1	-31.5	-177.2	-68.9	-26.7	0	0	0	111.9	I202 L203 E204	D200-I202 VanDerWaalsContact C-N 3.32Å; D200-I202 PolarHBondContact O-N 2.65Å; D200-L203 PolarHBondContact O-N 3.38Å; D200-L203 VanDerWaalsContact O-N 3.16Å; D200-E204 PolarHBondContact O-N 3.37Å
201	E	95.5	Very high	96.4	Very high	91 Å²	91	47.2 Å²	47.2	43%	0.425	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-39.4	175.8	-58.2	87.1	164.4	0	0	111.9	T33 L176 P199 N205	T33-E201 HydrophobicContact CG2-CB 4.19Å; T33-E201 HydrophobicContact CG2-CG 4.35Å; L176-E201 HydrophobicContact CD1-CB 4.02Å; P199-E201 WeakPolarHBondContact CB-OE2 3.34Å; P199-E201 PolarHBondContact O-N 3.4Å; E201-N205 WeakPolarHBondContact O-CB 3.41Å; E201-N205 PolarHBondContact O-N 3.36Å; E201-N205 VanDerWaalsContact O-N 3.09Å
202	I	96.4	Very high	96.3	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-46.5	173.4	-66.5	-56.5	0	0	0	109.9	F130 D170 M171 M174 L176 K198 P199 D200 E204 N205 E206	F130-I202 HydrophobicContact CE1-CG2 4.26Å; F130-I202 HydrophobicContact CE2-CG1 4.45Å; F130-I202 HydrophobicContact CE2-CG2 4.25Å; F130-I202 HydrophobicContact CZ-CG1 4.27Å; F130-I202 HydrophobicContact CZ-CG2 3.54Å; D170-I202 HydrophobicContact CB-CD1 4.4Å; M171-I202 HydrophobicContact SD-CD1 4.11Å; M171-I202 HydrophobicContact SD-CG1 3.83Å; M174-I202 HydrophobicContact CB-CD1 4.03Å; M174-I202 HydrophobicContact CG-CD1 3.69Å; L176-I202 HydrophobicContact CD1-CD1 3.81Å; L176-I202 HydrophobicContact CD1-CG1 3.91Å; K198-I202 HydrophobicContact CB-CB 4.46Å; K198-I202 HydrophobicContact CB-CG2 4.2Å; K198-I202 HydrophobicContact CD-CG2 4.08Å; K198-I202 HydrophobicContact CG-CG2 4.06Å; P199-I202 HydrophobicContact CG-CG1 4.36Å; P199-I202 WeakPolarHBondContact O-CB 3.36Å; P199-I202 PolarHBondContact O-N 2.95Å; P199-I202 VanDerWaalsContact O-N 3.17Å; D200-I202 VanDerWaalsContact C-N 3.32Å; D200-I202 PolarHBondContact O-N 2.65Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 2.87Å; I202-N205 PolarHBondContact O-N 3.45Å; I202-E206 HydrophobicContact CG2-CG 4.24Å; I202-E206 WeakPolarHBondContact O-CB 3.45Å; I202-E206 WeakPolarHBondContact O-CG 3.41Å; I202-E206 PolarHBondContact O-N 3.37Å
203	L	96.4	Very high	96.1	Very high	39 Å²	39	48.4 Å²	48.4	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-41.2	-177.5	-66.5	175.1	0	0	0	111.9	P127 K198 P199 D200 K207	P127-L203 VanDerWaalsContact O-CD2 3.29Å; P127-L203 WeakPolarHBondContact O-CD2 3.26Å; K198-L203 HydrophobicContact CB-CD2 3.82Å; K198-L203 HydrophobicContact CB-CG 3.99Å; K198-L203 HydrophobicContact CD-CD2 3.76Å; K198-L203 HydrophobicContact CG-CD2 4.44Å; P199-L203 PolarHBondContact O-N 2.94Å; D200-L203 PolarHBondContact O-N 3.38Å; D200-L203 VanDerWaalsContact O-N 3.16Å; L203-K207 WeakPolarHBondContact O-CB 3.29Å; L203-K207 PolarHBondContact O-N 3.33Å
204	E	95.2	Very high	95.8	Very high	84 Å²	84	50.8 Å²	50.8	39%	0.393	25%	0.249	S	C	.	.	H	α-helix	trans	-68	-41.7	176.4	-172.1	57.4	-152.1	0	0	111.1	D200 I202 E206 K207 L208	D200-E204 PolarHBondContact O-N 3.37Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 2.87Å; E204-E206 PolarHBondContact O-N 3.06Å; E204-K207 VanDerWaalsContact CD-NZ 3.31Å; E204-K207 WeakPolarHBondContact O-CB 3.33Å; E204-K207 PolarHBondContact O-N 2.92Å; E204-K207 IonicContact OE1-NZ 2.73Å; E204-K207 PolarHBondContact OE1-NZ 2.77Å; E204-K207 IonicContact OE2-NZ 2.83Å; E204-K207 PolarHBondContact OE2-NZ 2.93Å; E204-L208 WeakPolarHBondContact O-CG 3.35Å; E204-L208 PolarHBondContact O-N 2.97Å
205	N	94.4	Very high	95.6	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.059	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-45.5	176	-172.8	-73.7	0	0	0	112.1	T33 W36 M174 E201 I202 K207 L208 V209	T33-N205 PolarHBondContact O-ND2 3.18Å; W36-N205 VanDerWaalsContact CD1-OD1 3.3Å; M174-N205 HydrophobicContact CE-CB 3.74Å; M174-N205 HydrophobicContact SD-CB 4.3Å; M174-N205 PolarHBondContact SD-ND2 2.96Å; E201-N205 WeakPolarHBondContact O-CB 3.41Å; E201-N205 PolarHBondContact O-N 3.36Å; E201-N205 VanDerWaalsContact O-N 3.09Å; I202-N205 PolarHBondContact O-N 3.45Å; N205-K207 PolarHBondContact O-N 2.83Å; N205-L208 PolarHBondContact O-N 2.86Å; N205-L208 VanDerWaalsContact O-N 3.12Å; N205-V209 WeakPolarHBondContact O-CG2 3.3Å; N205-V209 PolarHBondContact O-N 2.87Å
206	E	95	Very high	95.4	Very high	36 Å²	36	56.3 Å²	56.3	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-35.7	174.8	-74.8	-177.8	172.7	0	0	112.2	K198 I202 E204 R210	K198-E206 VanDerWaalsContact CE-OE1 3.23Å; K198-E206 WeakPolarHBondContact CE-OE1 3.38Å; K198-E206 IonicContact NZ-OE1 3.13Å; K198-E206 PolarHBondContact NZ-OE1 3.11Å; K198-E206 IonicContact NZ-OE2 2.72Å; K198-E206 PolarHBondContact NZ-OE2 3.24Å; I202-E206 HydrophobicContact CG2-CG 4.24Å; I202-E206 WeakPolarHBondContact O-CB 3.45Å; I202-E206 WeakPolarHBondContact O-CG 3.41Å; I202-E206 PolarHBondContact O-N 3.37Å; E204-E206 PolarHBondContact O-N 3.06Å; E206-R210 WeakPolarHBondContact O-CB 3.28Å; E206-R210 VanDerWaalsContact O-CG 3.31Å; E206-R210 WeakPolarHBondContact O-CG 3.37Å; E206-R210 PolarHBondContact O-N 2.73Å; E206-R210 PolarHBondContact O-NE 2.9Å
207	K	94.1	Very high	95	Very high	83 Å²	83	65 Å²	65	36%	0.361	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-44.6	173.8	173.6	176.9	152.4	-124.3	0	111.6	L203 E204 N205 V209 R210 Q211	L203-K207 WeakPolarHBondContact O-CB 3.29Å; L203-K207 PolarHBondContact O-N 3.33Å; E204-K207 VanDerWaalsContact CD-NZ 3.31Å; E204-K207 WeakPolarHBondContact O-CB 3.33Å; E204-K207 PolarHBondContact O-N 2.92Å; E204-K207 IonicContact OE1-NZ 2.73Å; E204-K207 PolarHBondContact OE1-NZ 2.77Å; E204-K207 IonicContact OE2-NZ 2.83Å; E204-K207 PolarHBondContact OE2-NZ 2.93Å; N205-K207 PolarHBondContact O-N 2.83Å; K207-V209 PolarHBondContact O-N 2.85Å; K207-R210 PolarHBondContact O-N 3.38Å; K207-Q211 WeakPolarHBondContact O-CG 3.48Å; K207-Q211 PolarHBondContact O-N 2.86Å
208	L	94.7	Very high	94.5	Very high	61 Å²	61	61.2 Å²	61.2	32%	0.319	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.5	-67.7	174.2	0	0	0	112.3	I37 E204 N205 Q211 Y212	I37-L208 HydrophobicContact CD1-CB 4.34Å; I37-L208 HydrophobicContact CG1-CB 4.16Å; I37-L208 HydrophobicContact CG2-CD1 4.46Å; E204-L208 WeakPolarHBondContact O-CG 3.35Å; E204-L208 PolarHBondContact O-N 2.97Å; N205-L208 PolarHBondContact O-N 2.86Å; N205-L208 VanDerWaalsContact O-N 3.12Å; L208-Q211 PolarHBondContact O-N 2.89Å; L208-Y212 PolarHBondContact O-N 2.83Å
209	V	94.4	Very high	93.8	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-47.1	174.5	173.9	0	0	0	0	110.4	I37 N205 K207 Q211 Y212 V213	I37-V209 HydrophobicContact CD1-CB 4.34Å; I37-V209 HydrophobicContact CD1-CG2 3.75Å; N205-V209 WeakPolarHBondContact O-CG2 3.3Å; N205-V209 PolarHBondContact O-N 2.87Å; K207-V209 PolarHBondContact O-N 2.85Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 3.5Å; V209-Y212 PolarHBondContact O-N 2.95Å; V209-V213 HydrophobicContact CG1-CG2 4.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.25Å; V209-V213 PolarHBondContact O-N 3.08Å
210	R	93.8	Very high	92.5	Very high	97 Å²	97	71.9 Å²	71.9	37%	0.366	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-42.1	176.7	-78	-178.4	-69	156.1	-5	112.4	Y70 H75 E206 K207 V213 S214	Y70-R210 HydrophobicContact CE1-CG 4.48Å; H75-R210 WeakPolarHBondContact O-CD 3.28Å; E206-R210 WeakPolarHBondContact O-CB 3.28Å; E206-R210 VanDerWaalsContact O-CG 3.31Å; E206-R210 WeakPolarHBondContact O-CG 3.37Å; E206-R210 PolarHBondContact O-N 2.73Å; E206-R210 PolarHBondContact O-NE 2.9Å; K207-R210 PolarHBondContact O-N 3.38Å; R210-V213 PolarHBondContact O-N 2.81Å; R210-S214 WeakPolarHBondContact O-CB 3.28Å; R210-S214 PolarHBondContact O-N 2.69Å
211	Q	93.7	Very high	90.5	Very high	98 Å²	98	72.7 Å²	72.7	46%	0.458	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-46.5	174.6	-75.5	176.8	-20.2	0	0	111.2	K207 L208 V209 S214 T215	K207-Q211 WeakPolarHBondContact O-CG 3.48Å; K207-Q211 PolarHBondContact O-N 2.86Å; L208-Q211 PolarHBondContact O-N 2.89Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 3.5Å; Q211-S214 WeakPolarHBondContact O-CB 3.35Å; Q211-S214 PolarHBondContact O-N 2.87Å; Q211-S214 PolarHBondContact O-OG 3.36Å; Q211-T215 WeakPolarHBondContact O-CG2 3.33Å; Q211-T215 PolarHBondContact O-N 2.96Å
212	Y	94.8	Very high	88.1	Confident	39 Å²	39	76.5 Å²	76.5	15%	0.153	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-49.2	175.5	171.4	-120.1	0	0	0	112.2	V40 K41 F58 L208 V209 S214 T215 L216	V40-Y212 HydrophobicContact CG1-CD1 3.83Å; V40-Y212 HydrophobicContact CG1-CE1 3.84Å; K41-Y212 HydrophobicContact CG-CD1 4.12Å; K41-Y212 HydrophobicContact CG-CD2 3.94Å; K41-Y212 HydrophobicContact CG-CE1 4.15Å; K41-Y212 HydrophobicContact CG-CE2 4Å; K41-Y212 HydrophobicContact CG-CG 3.99Å; F58-Y212 HydrophobicContact CE1-CE1 4.01Å; L208-Y212 PolarHBondContact O-N 2.83Å; V209-Y212 PolarHBondContact O-N 2.95Å; Y212-S214 PolarHBondContact O-N 2.8Å; Y212-T215 PolarHBondContact O-N 3.26Å; Y212-T215 PolarHBondContact O-OG1 3.42Å; Y212-L216 HydrophobicContact CE1-CD1 4.38Å; Y212-L216 HydrophobicContact CE2-CD2 3.98Å
213	V	94.5	Very high	85.5	Confident	6 Å²	6	85.1 Å²	85.1	4%	0.036	42%	0.42	C	S	.	.	H	α-helix	trans	-57.7	-33.4	176.8	167.7	0	0	0	0	111.7	R54 V56 F58 Y70 V209 R210 T215 L216	R54-V213 PolarHBondContact NH1-O 3.32Å; V56-V213 HydrophobicContact CG2-CG1 3.81Å; V56-V213 HydrophobicContact CG2-CG2 4.49Å; F58-V213 HydrophobicContact CZ-CG2 4.14Å; Y70-V213 HydrophobicContact CD2-CG1 4.25Å; Y70-V213 HydrophobicContact CE2-CG1 4.19Å; Y70-V213 HydrophobicContact CE2-CG2 4.21Å; V209-V213 HydrophobicContact CG1-CG2 4.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.25Å; V209-V213 PolarHBondContact O-N 3.08Å; R210-V213 PolarHBondContact O-N 2.81Å; V213-T215 VanDerWaalsContact C-N 3.27Å; V213-T215 PolarHBondContact O-N 3.2Å; V213-L216 PolarHBondContact O-N 2.8Å
214	S	92.2	Very high	83	Confident	78 Å²	78	88.3 Å²	88.3	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-30	176.1	81.6	0	0	0	0	113.4	R210 Q211 Y212	R210-S214 WeakPolarHBondContact O-CB 3.28Å; R210-S214 PolarHBondContact O-N 2.69Å; Q211-S214 WeakPolarHBondContact O-CB 3.35Å; Q211-S214 PolarHBondContact O-N 2.87Å; Q211-S214 PolarHBondContact O-OG 3.36Å; Y212-S214 PolarHBondContact O-N 2.8Å
215	T	94	Very high	80.8	Confident	100 Å²	100	90.3 Å²	90.3	61%	0.613	46%	0.459	S	S	*	.	H	α-helix	trans	-80.6	-15.9	179.6	67.7	0	0	0	0	114.2	Q211 Y212 V213	Q211-T215 WeakPolarHBondContact O-CG2 3.33Å; Q211-T215 PolarHBondContact O-N 2.96Å; Y212-T215 PolarHBondContact O-N 3.26Å; Y212-T215 PolarHBondContact O-OG1 3.42Å; V213-T215 VanDerWaalsContact C-N 3.27Å; V213-T215 PolarHBondContact O-N 3.2Å
216	L	93.9	Very high	78.5	Confident	30 Å²	30	98 Å²	98	16%	0.157	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-73.5	133.3	-179.3	-62	176.3	0	0	0	110.7	A45 V47 V56 F58 Y212 V213	A45-L216 HydrophobicContact CB-CD1 3.65Å; A45-L216 HydrophobicContact CB-CD2 3.98Å; A45-L216 HydrophobicContact CB-CG 4.47Å; V47-L216 HydrophobicContact CG2-CB 3.47Å; V47-L216 VanDerWaalsContact CG2-CB 3.47Å; V47-L216 HydrophobicContact CG2-CD1 3.84Å; V47-L216 HydrophobicContact CG2-CG 4.31Å; V56-L216 HydrophobicContact CG1-CD1 3.83Å; F58-L216 HydrophobicContact CE1-CD1 4.4Å; Y212-L216 HydrophobicContact CE1-CD1 4.38Å; Y212-L216 HydrophobicContact CE2-CD2 3.98Å; V213-L216 PolarHBondContact O-N 2.8Å
217	K	90.5	Very high	76	Confident	185 Å²	185	102.9 Å²	102.9	80%	0.804	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-84.4	133.2	177.8	-64.6	-175	-180	-176.5	0	110.5
218	P	87.9	Confident	74	Confident	69 Å²	69	107.7 Å²	107.7	45%	0.448	57%	0.568	S	S	.	*	B	Isolated β-bridge	trans	-57.8	145.1	167.8	-21.6	33.6	0	0	0	111	V47 E220	V47-P218 HydrophobicContact CG1-CB 4.46Å; V47-P218 HydrophobicContact CG1-CG 4.35Å; V47-P218 WeakPolarHBondContact O-CA 3.48Å; P218-E220 PolarHBondContact O-N 3.24Å
219	V	85.1	Confident	73	Confident	88 Å²	88	110 Å²	110	53%	0.533	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-69.3	125.5	165.2	179.8	0	0	0	0	107.3	T46 V47 Q221	T46-V219 HydrophobicContact CG2-CG2 3.61Å; V47-V219 PolarHBondContact O-N 3.45Å; V219-Q221 PolarHBondContact O-N 3.3Å
220	E	70.3	Confident	71.9	Confident	178 Å²	178	115.6 Å²	115.6	83%	0.832	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-62.5	120.7	169.3	-68.7	179.8	-177.7	0	0	107.4	P218 Q222	P218-E220 PolarHBondContact O-N 3.24Å; E220-Q222 PolarHBondContact O-N 3.42Å
221	Q	54.6	Low	70.7	Confident	146 Å²	146	116.6 Å²	116.6	68%	0.682	62%	0.624	S	S	*	*			trans	-67.4	90.7	170.2	-64.3	-176.4	32.1	0	0	106.4	V219 E223	V219-Q221 PolarHBondContact O-N 3.3Å; Q221-E223 VanDerWaalsContact C-N 3.31Å; Q221-E223 PolarHBondContact O-N 2.9Å
222	Q	43.3	Very low	69.3	Low	171 Å²	171	117.7 Å²	117.7	80%	0.799	63%	0.633	S	S	*	*			trans	-69.3	98	171.3	-156.9	169.2	14.3	0	0	106.1	E220 D224	E220-Q222 PolarHBondContact O-N 3.42Å; Q222-D224 PolarHBondContact O-N 3.13Å
223	E	42.9	Very low	67.7	Low	185 Å²	185	122.6 Å²	122.6	86%	0.864	66%	0.664	S	S	*	*			trans	-61.2	80.3	168.5	-73.6	-173.3	158.1	0	0	108.8	Q221	Q221-E223 VanDerWaalsContact C-N 3.31Å; Q221-E223 PolarHBondContact O-N 2.9Å
224	D	44.6	Very low	65.9	Low	105 Å²	105	130.4 Å²	130.4	56%	0.561	71%	0.705	S	S	*	*			trans	-147.5	53	170.7	-104.5	-30.9	0	0	0	109.6	Q222 K226	Q222-D224 PolarHBondContact O-N 3.13Å; D224-K226 PolarHBondContact O-N 3.1Å
225	C	48	Very low	64.1	Low	127 Å²	127	134.1 Å²	134.1	86%	0.858	72%	0.717	S	S	*	*			trans	-71.9	77.5	152.9	-76.7	0	0	0	0	108.1	T227	C225-T227 VanDerWaalsContact C-N 3.29Å; C225-T227 PolarHBondContact O-N 2.98Å; C225-T227 VanDerWaalsContact O-N 3.1Å
226	K	46.3	Very low	61.8	Low	172 Å²	172	136.8 Å²	136.8	75%	0.748	73%	0.725	S	S	*	*			trans	-75.8	92.7	159	-74	-176.7	-176.1	171.7	0	107.4	D224 S228	D224-K226 PolarHBondContact O-N 3.1Å; K226-S228 PolarHBondContact O-N 3.32Å
227	T	42.6	Very low	59.1	Low	138 Å²	138	145.7 Å²	145.7	85%	0.847	77%	0.772	S	S	*	*			trans	-52.7	123.9	164.7	-21.3	0	0	0	0	108.1	C225	C225-T227 VanDerWaalsContact C-N 3.29Å; C225-T227 PolarHBondContact O-N 2.98Å; C225-T227 VanDerWaalsContact O-N 3.1Å
228	S	53.1	Low	56.2	Low	184 Å²	184	142.1 Å²	142.1	100%	1.287	77%	0.769	S	S	*	*			trans	-104.5	0	163.3	-167.7	0	0	0	0	110	K226	K226-S228 PolarHBondContact O-N 3.32Å

Retrieved 228 of 228 residues in 64.8 ms (Link to these results)

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