A0A5K4FB67_SCHMA Loading...

Cathepsin B-like cysteine proteinase

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB , UniProt , Accession A0A5K4FB67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	98.5	Very high	98.3	Very high	42 Å²	42	37.8 Å²	37.8	21%	0.207	26%	0.262	C	S	.	.				0	-52.9	0	-65.4	156.2	-167.2	0	0	112	D3 R4 S5 L17 A41 W42 W45 I50	M1-D3 PolarHBondContact O-N 3.23Å; M1-R4 PolarHBondContact O-N 3.05Å; M1-S5 PolarHBondContact O-N 3.46Å; M1-S5 PolarHBondContact O-OG 3.38Å; M1-L17 HydrophobicContact CB-CD1 3.56Å; M1-A41 HydrophobicContact CE-CB 4.41Å; M1-W42 HydrophobicContact CE-CB 4.22Å; M1-W42 HydrophobicContact CE-CD2 3.63Å; M1-W42 HydrophobicContact CE-CE3 4.08Å; M1-W42 HydrophobicContact CE-CG 3.68Å; M1-W42 HydrophobicContact CG-CD2 4.43Å; M1-W42 HydrophobicContact CG-CE3 4.11Å; M1-W42 HydrophobicContact CG-CH2 4.06Å; M1-W42 HydrophobicContact CG-CZ2 4.36Å; M1-W42 HydrophobicContact CG-CZ3 3.9Å; M1-W45 HydrophobicContact CB-CD2 4.29Å; M1-W45 HydrophobicContact CB-CZ2 4.39Å; M1-W45 HydrophobicContact CE-CB 3.88Å; M1-W45 HydrophobicContact CE-CG 4.33Å; M1-W45 HydrophobicContact CG-CD2 3.78Å; M1-W45 HydrophobicContact CG-CE3 3.99Å; M1-W45 HydrophobicContact CG-CG 4.04Å; M1-W45 HydrophobicContact CG-CZ3 4.47Å; M1-W45 HydrophobicContact SD-CB 3.64Å; M1-W45 HydrophobicContact SD-CD2 4Å; M1-W45 HydrophobicContact SD-CE3 4.5Å; M1-W45 HydrophobicContact SD-CG 3.61Å; M1-I50 HydrophobicContact SD-CD1 3.62Å
2	S	98.7	Very high	98.3	Very high	31 Å²	31	50.8 Å²	50.8	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-44.8	-53.8	175.6	-50.4	0	0	0	0	114.1	R4 S5 C6 V15 L17	S2-R4 VanDerWaalsContact C-N 3.29Å; S2-R4 PolarHBondContact O-N 3.5Å; S2-S5 WeakPolarHBondContact O-CB 3.35Å; S2-S5 PolarHBondContact O-N 2.95Å; S2-C6 PolarHBondContact O-N 2.99Å; S2-V15 WeakPolarHBondContact CB-O 3.43Å; S2-L17 PolarHBondContact OG-N 3.31Å; S2-L17 VanDerWaalsContact OG-N 3.1Å
3	D	98.7	Very high	98.2	Very high	52 Å²	52	51 Å²	51	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-54.2	-46.4	178.7	-57.6	-12.8	0	0	0	112.2	M1 C6 I7 P132 R165	M1-D3 PolarHBondContact O-N 3.23Å; D3-C6 PolarHBondContact O-N 2.84Å; D3-I7 HydrophobicContact CB-CD1 4.4Å; D3-I7 WeakPolarHBondContact O-CB 3.31Å; D3-I7 VanDerWaalsContact O-CG1 3.27Å; D3-I7 WeakPolarHBondContact O-CG1 3.44Å; D3-I7 PolarHBondContact O-N 3.22Å; D3-P132 HydrophobicContact CB-CG 4.11Å; D3-P132 WeakPolarHBondContact OD2-CG 3.38Å; D3-R165 IonicContact OD1-NH1 2.83Å; D3-R165 WeakPolarHBondContact OD2-CD 3.43Å; D3-R165 IonicContact OD2-CZ 2.64Å; D3-R165 IonicContact OD2-NE 2.77Å; D3-R165 IonicContact OD2-NH1 3.9Å; D3-R165 PolarHBondContact OD2-NH1 3.2Å
4	R	98.7	Very high	98.2	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-70.1	-35.1	-177.1	-68.7	-166.1	166.5	-130.4	-12.1	112	M1 S2 C6 Q8 Y114 E126 Y130 G131 P132 G212	M1-R4 PolarHBondContact O-N 3.05Å; S2-R4 VanDerWaalsContact C-N 3.29Å; S2-R4 PolarHBondContact O-N 3.5Å; R4-C6 VanDerWaalsContact C-N 3.27Å; R4-C6 PolarHBondContact O-N 3.08Å; R4-Q8 WeakPolarHBondContact O-CB 3.49Å; R4-Q8 VanDerWaalsContact O-CG 3.3Å; R4-Q8 WeakPolarHBondContact O-CG 3.48Å; R4-Q8 PolarHBondContact O-N 2.74Å; R4-Y114 PolarHBondContact NH1-OH 2.97Å; R4-E126 IonicContact CZ-OE1 3.2Å; R4-E126 VanDerWaalsContact CZ-OE1 3.27Å; R4-E126 IonicContact NH1-OE1 3.82Å; R4-E126 PolarHBondContact NH1-OE1 2.72Å; R4-E126 IonicContact NH2-OE1 3.4Å; R4-E126 PolarHBondContact NH2-OE1 3.5Å; R4-Y130 WeakPolarHBondContact CG-O 3.3Å; R4-G131 PolarHBondContact NH2-O 2.89Å; R4-P132 PolarHBondContact NE-O 2.57Å; R4-G212 VanDerWaalsContact CD-O 3.22Å; R4-G212 WeakPolarHBondContact CD-O 3.11Å; R4-G212 PolarHBondContact NH1-O 3.35Å
5	S	98.5	Very high	98.2	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-57	-43.6	172.4	-62.5	0	0	0	0	110.9	M1 S2 S9 Q13	M1-S5 PolarHBondContact O-N 3.46Å; M1-S5 PolarHBondContact O-OG 3.38Å; S2-S5 WeakPolarHBondContact O-CB 3.35Å; S2-S5 PolarHBondContact O-N 2.95Å; S5-S9 WeakPolarHBondContact O-CB 3.23Å; S5-S9 PolarHBondContact O-N 2.75Å; S5-S9 PolarHBondContact O-OG 2.93Å; S5-Q13 CarbonylContact C-O 3.56Å
6	C	98.7	Very high	98.2	Very high	40 Å²	40	58.1 Å²	58.1	27%	0.27	34%	0.335	S	S	.	.	H	α-helix	trans	-68.5	-56.9	176	-177.3	0	0	0	0	112.4	S2 D3 R4 Q8 S9 G10 G11 Q13	S2-C6 PolarHBondContact O-N 2.99Å; D3-C6 PolarHBondContact O-N 2.84Å; R4-C6 VanDerWaalsContact C-N 3.27Å; R4-C6 PolarHBondContact O-N 3.08Å; C6-Q8 PolarHBondContact O-N 2.8Å; C6-S9 PolarHBondContact O-N 3.04Å; C6-S9 PolarHBondContact O-OG 3.19Å; C6-G10 PolarHBondContact O-N 3.17Å; C6-G11 PolarHBondContact O-N 2.87Å; C6-Q13 WeakPolarHBondContact CA-O 3.43Å; C6-Q13 VanDerWaalsContact CB-O 3.29Å; C6-Q13 WeakPolarHBondContact CB-O 3.47Å; C6-Q13 PolarHBondContact N-O 2.83Å
7	I	98.4	Very high	98.2	Very high	89 Å²	89	55.7 Å²	55.7	46%	0.456	32%	0.32	S	S	.	.	H	α-helix	trans	-55.3	-51.1	-175.8	-69.2	164.8	0	0	0	111	D3 S9 G10	D3-I7 HydrophobicContact CB-CD1 4.4Å; D3-I7 WeakPolarHBondContact O-CB 3.31Å; D3-I7 VanDerWaalsContact O-CG1 3.27Å; D3-I7 WeakPolarHBondContact O-CG1 3.44Å; D3-I7 PolarHBondContact O-N 3.22Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 2.97Å; I7-G10 PolarHBondContact O-N 3.39Å
8	Q	98.3	Very high	98.2	Very high	23 Å²	23	52.7 Å²	52.7	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-80.8	-15.1	-170.8	-59.8	176.3	13.2	0	0	113	R4 C6 Y130 I214 N215	R4-Q8 WeakPolarHBondContact O-CB 3.49Å; R4-Q8 VanDerWaalsContact O-CG 3.3Å; R4-Q8 WeakPolarHBondContact O-CG 3.48Å; R4-Q8 PolarHBondContact O-N 2.74Å; C6-Q8 PolarHBondContact O-N 2.8Å; Q8-Y130 PolarHBondContact NE2-O 3.24Å; Q8-Y130 VanDerWaalsContact NE2-O 3.14Å; Q8-I214 HydrophobicContact CB-CD1 3.75Å; Q8-I214 HydrophobicContact CB-CG1 3.68Å; Q8-N215 PolarHBondContact O-ND2 3.37Å
9	S	98.2	Very high	98.2	Very high	23 Å²	23	53 Å²	53	16%	0.161	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.3	173	70.2	0	0	0	0	113.2	S5 C6 I7 G11 K12 Q13	S5-S9 WeakPolarHBondContact O-CB 3.23Å; S5-S9 PolarHBondContact O-N 2.75Å; S5-S9 PolarHBondContact O-OG 2.93Å; C6-S9 PolarHBondContact O-N 3.04Å; C6-S9 PolarHBondContact O-OG 3.19Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 2.97Å; S9-G11 VanDerWaalsContact C-N 3.32Å; S9-K12 WeakPolarHBondContact O-CG 3.36Å; S9-K12 PolarHBondContact O-N 3.3Å; S9-K12 PolarHBondContact OG-N 2.88Å; S9-Q13 PolarHBondContact OG-N 2.98Å
10	G	97.5	Very high	98.2	Very high	72 Å²	72	51 Å²	51	74%	0.742	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	36.8	-173.7	0	0	0	0	0	112.4	C6 I7 K12	C6-G10 PolarHBondContact O-N 3.17Å; I7-G10 PolarHBondContact O-N 3.39Å; G10-K12 VanDerWaalsContact C-N 3.35Å; G10-K12 PolarHBondContact O-N 2.82Å
11	G	97.4	Very high	98.2	Very high	42 Å²	42	48.6 Å²	48.6	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	0.2	179.5	0	0	0	0	0	115.6	C6 S9	C6-G11 PolarHBondContact O-N 2.87Å; S9-G11 VanDerWaalsContact C-N 3.32Å
12	K	97.8	Very high	98.2	Very high	193 Å²	193	48.4 Å²	48.4	84%	0.839	29%	0.286	S	S	*	.	S	Bend	trans	-66.5	-38.2	178.6	-72.4	-179.9	178.6	179.3	0	113	S9 G10	S9-K12 WeakPolarHBondContact O-CG 3.36Å; S9-K12 PolarHBondContact O-N 3.3Å; S9-K12 PolarHBondContact OG-N 2.88Å; G10-K12 VanDerWaalsContact C-N 3.35Å; G10-K12 PolarHBondContact O-N 2.82Å
13	Q	97.6	Very high	98.2	Very high	54 Å²	54	48.8 Å²	48.8	25%	0.252	29%	0.286	S	S	.	.			trans	-100.3	96.1	173.6	-65.1	-171.9	57.1	0	0	109.4	S5 C6 S9 H108	S5-Q13 CarbonylContact C-O 3.56Å; C6-Q13 WeakPolarHBondContact CA-O 3.43Å; C6-Q13 VanDerWaalsContact CB-O 3.29Å; C6-Q13 WeakPolarHBondContact CB-O 3.47Å; C6-Q13 PolarHBondContact N-O 2.83Å; S9-Q13 PolarHBondContact OG-N 2.98Å; Q13-H108 PolarHBondContact OE1-ND1 3.09Å
14	N	97.4	Very high	98.1	Very high	139 Å²	139	47.2 Å²	47.2	74%	0.743	28%	0.279	S	S	*	.			trans	-105.7	85.6	172.2	-170.3	16.5	0	0	0	109.3
15	V	98	Very high	98.1	Very high	30 Å²	30	47.9 Å²	47.9	18%	0.182	28%	0.283	C	S	.	.			trans	-131.6	144.6	-168.8	-63.8	0	0	0	0	112	S2 L17 T52	S2-V15 WeakPolarHBondContact CB-O 3.43Å; V15-L17 HydrophobicContact CG2-CD2 3.83Å; V15-L17 HydrophobicContact CG2-CG 4.37Å; V15-T52 HydrophobicContact CB-CG2 4.1Å; V15-T52 HydrophobicContact CG1-CG2 4.11Å
16	E	98.5	Very high	98.1	Very high	97 Å²	97	48.1 Å²	48.1	45%	0.453	29%	0.285	S	S	.	.			trans	-99.4	110.6	165.1	-171.2	178.3	-176.8	0	0	107.8	T52 G53 S54	E16-T52 CarbonylContact O-C 3.44Å; E16-T52 WeakPolarHBondContact O-CA 3.36Å; E16-G53 PolarHBondContact O-N 3.04Å; E16-S54 VanDerWaalsContact OE2-CA 3.31Å; E16-S54 WeakPolarHBondContact OE2-CA 3.44Å; E16-S54 WeakPolarHBondContact OE2-CB 3.38Å
17	L	98.7	Very high	97.9	Very high	18 Å²	18	55.1 Å²	55.1	9%	0.094	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-76.5	138.6	179.4	-59.6	-178.3	0	0	0	111.1	M1 S2 V15 A19 I50 V51 H108	M1-L17 HydrophobicContact CB-CD1 3.56Å; S2-L17 PolarHBondContact OG-N 3.31Å; S2-L17 VanDerWaalsContact OG-N 3.1Å; V15-L17 HydrophobicContact CG2-CD2 3.83Å; V15-L17 HydrophobicContact CG2-CG 4.37Å; L17-A19 PolarHBondContact O-N 3.4Å; L17-I50 HydrophobicContact CB-CG2 4.01Å; L17-V51 WeakPolarHBondContact CA-O 3.44Å; L17-H108 HydrophobicContact CD2-CB 3.69Å
18	S	98.8	Very high	97.7	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.014	31%	0.312	C	S	.	.			trans	-68.4	115.2	-176.2	-179.6	0	0	0	0	111.4	V20 D21 L22 I50 V51 Q63	S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.92Å; S18-V20 VanDerWaalsContact OG-CG1 3.26Å; S18-V20 WeakPolarHBondContact OG-CG1 3.49Å; S18-V20 PolarHBondContact OG-N 3.46Å; S18-D21 PolarHBondContact OG-N 2.91Å; S18-D21 VanDerWaalsContact OG-N 3.12Å; S18-L22 PolarHBondContact O-N 3.39Å; S18-I50 VanDerWaalsContact O-CG2 3.3Å; S18-I50 WeakPolarHBondContact O-CG2 3.47Å; S18-V51 WeakPolarHBondContact CB-O 3.38Å; S18-V51 PolarHBondContact N-O 3.31Å; S18-Q63 WeakPolarHBondContact CB-O 3.43Å; S18-Q63 PolarHBondContact OG-O 2.86Å
19	A	98	Very high	97.6	Very high	58 Å²	58	55 Å²	55	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-35	169.8	0	0	0	0	0	111.8	L17 L23 Y65	L17-A19 PolarHBondContact O-N 3.4Å; A19-L23 WeakPolarHBondContact O-CB 3.27Å; A19-L23 PolarHBondContact O-N 3.09Å; A19-Y65 HydrophobicContact CB-CD2 4.11Å; A19-Y65 HydrophobicContact CB-CE2 4.31Å
20	V	98.1	Very high	97.4	Very high	13 Å²	13	55.1 Å²	55.1	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-74	-34.1	-177.7	67.9	0	0	0	0	112.6	S18 L23 S24 Q63 Y65 P66 P89	S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.92Å; S18-V20 VanDerWaalsContact OG-CG1 3.26Å; S18-V20 WeakPolarHBondContact OG-CG1 3.49Å; S18-V20 PolarHBondContact OG-N 3.46Å; V20-L23 PolarHBondContact O-N 3.01Å; V20-S24 VanDerWaalsContact O-CB 3.27Å; V20-S24 WeakPolarHBondContact O-CB 3.35Å; V20-S24 PolarHBondContact O-N 2.92Å; V20-S24 PolarHBondContact O-OG 2.89Å; V20-Q63 HydrophobicContact CG1-CB 3.97Å; V20-Y65 HydrophobicContact CB-CD2 4.1Å; V20-P66 HydrophobicContact CG2-CG 4.09Å; V20-P89 HydrophobicContact CG2-CB 4.26Å; V20-P89 HydrophobicContact CG2-CG 3.98Å
21	D	98.6	Very high	97.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-49.7	173.7	-177.8	38.3	0	0	0	110.6	S18 C25 I50 V51 Q63 Y103 K107	S18-D21 PolarHBondContact OG-N 2.91Å; S18-D21 VanDerWaalsContact OG-N 3.12Å; D21-C25 WeakPolarHBondContact O-CB 3.24Å; D21-C25 PolarHBondContact O-N 3.3Å; D21-I50 HydrophobicContact CB-CG2 4.2Å; D21-I50 VanDerWaalsContact OD2-CA 3.27Å; D21-I50 WeakPolarHBondContact OD2-CA 3.32Å; D21-V51 HydrophobicContact CB-CG2 3.76Å; D21-V51 PolarHBondContact OD2-N 2.82Å; D21-Q63 VanDerWaalsContact CB-OE1 3.31Å; D21-Y103 WeakPolarHBondContact OD1-CE2 3.46Å; D21-Y103 PolarHBondContact OD1-OH 3.44Å; D21-K107 VanDerWaalsContact CG-NZ 3.31Å; D21-K107 IonicContact OD1-NZ 3.27Å; D21-K107 PolarHBondContact OD1-NZ 3.18Å; D21-K107 VanDerWaalsContact OD1-NZ 3.11Å; D21-K107 IonicContact OD2-NZ 3.11Å; D21-K107 PolarHBondContact OD2-NZ 2.98Å
22	L	98.4	Very high	96.9	Very high	38 Å²	38	56.8 Å²	56.8	20%	0.199	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-50.2	175.4	174.3	62.6	0	0	0	112	S18 S24 C26 A41 Y44 I50	S18-L22 PolarHBondContact O-N 3.39Å; L22-S24 VanDerWaalsContact C-N 3.35Å; L22-S24 PolarHBondContact O-N 2.67Å; L22-C26 HydrophobicContact CD1-CB 4.01Å; L22-C26 VanDerWaalsContact O-CB 3.23Å; L22-C26 WeakPolarHBondContact O-CB 3.38Å; L22-C26 PolarHBondContact O-N 2.81Å; L22-C26 VanDerWaalsContact O-N 3.12Å; L22-A41 HydrophobicContact CD1-CB 3.93Å; L22-A41 HydrophobicContact CD2-CB 3.84Å; L22-A41 HydrophobicContact CG-CB 4.38Å; L22-Y44 HydrophobicContact CD1-CD1 3.73Å; L22-Y44 HydrophobicContact CD1-CE1 4.49Å; L22-Y44 HydrophobicContact CD1-CG 4.16Å; L22-I50 HydrophobicContact CB-CD1 4.02Å; L22-I50 HydrophobicContact CB-CG1 4.4Å; L22-I50 HydrophobicContact CD1-CD1 4.17Å; L22-I50 HydrophobicContact CD2-CD1 4.15Å; L22-I50 HydrophobicContact CG-CD1 4.34Å
23	L	97.3	Very high	96.5	Very high	40 Å²	40	50 Å²	50	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-41.5	-176.6	175	68.1	0	0	0	112.8	A19 V20 G32 F33 Y65 T88	A19-L23 WeakPolarHBondContact O-CB 3.27Å; A19-L23 PolarHBondContact O-N 3.09Å; V20-L23 PolarHBondContact O-N 3.01Å; L23-G32 VanDerWaalsContact CD1-C 3.49Å; L23-F33 HydrophobicContact CD2-CD1 4.36Å; L23-F33 HydrophobicContact CD2-CD2 4.31Å; L23-F33 HydrophobicContact CD2-CE1 3.81Å; L23-F33 HydrophobicContact CD2-CE2 3.78Å; L23-F33 HydrophobicContact CD2-CZ 3.48Å; L23-F33 VanDerWaalsContact CD2-CZ 3.48Å; L23-Y65 HydrophobicContact CD2-CE2 4.42Å; L23-T88 HydrophobicContact CG-CG2 4.41Å
24	S	97.5	Very high	96	Very high	19 Å²	19	54.4 Å²	54.4	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-91.6	-29.9	-173.5	63.5	0	0	0	0	113.4	V20 L22 P89 C91	V20-S24 VanDerWaalsContact O-CB 3.27Å; V20-S24 WeakPolarHBondContact O-CB 3.35Å; V20-S24 PolarHBondContact O-N 2.92Å; V20-S24 PolarHBondContact O-OG 2.89Å; L22-S24 VanDerWaalsContact C-N 3.35Å; L22-S24 PolarHBondContact O-N 2.67Å; S24-P89 VanDerWaalsContact CB-O 3.23Å; S24-P89 WeakPolarHBondContact CB-O 3.28Å; S24-C91 WeakPolarHBondContact O-CB 3.22Å
25	C	98.2	Very high	95.7	Very high	14 Å²	14	49.5 Å²	49.5	10%	0.095	28%	0.278	C	S	.	.	H	α-helix	trans	-104.1	-11.4	-172.7	-60	0	0	0	0	114.8	D21 E27 Y44 C91	D21-C25 WeakPolarHBondContact O-CB 3.24Å; D21-C25 PolarHBondContact O-N 3.3Å; C25-E27 PolarHBondContact O-N 2.95Å; C25-Y44 WeakPolarHBondContact CB-OH 3.44Å; C25-Y44 WeakPolarHBondContact O-CE2 3.27Å; C25-C91 VanDerWaalsContact CA-SG 3.57Å; C25-C91 HydrophobicContact CB-CB 3.92Å; C25-C91 WeakPolarHBondContact CB-SG 3.4Å; C25-C91 VanDerWaalsContact SG-CA 3.55Å; C25-C91 WeakPolarHBondContact SG-CB 3.42Å; C25-C91 CovalentContact SG-SG 2.04Å; C25-C91 PolarHBondContact SG-SG 2.79Å
26	C	98	Very high	95.5	Very high	7 Å²	7	50.4 Å²	50.4	5%	0.047	29%	0.294	C	S	.	.			trans	-86.2	83.2	173.4	-174	0	0	0	0	111.8	L22 H28 C29 Y44	L22-C26 HydrophobicContact CD1-CB 4.01Å; L22-C26 VanDerWaalsContact O-CB 3.23Å; L22-C26 WeakPolarHBondContact O-CB 3.38Å; L22-C26 PolarHBondContact O-N 2.81Å; L22-C26 VanDerWaalsContact O-N 3.12Å; C26-H28 PolarHBondContact O-N 3.33Å; C26-C29 HydrophobicContact CB-CB 3.63Å; C26-C29 WeakPolarHBondContact CB-SG 3.34Å; C26-C29 PolarHBondContact O-N 3Å; C26-C29 WeakPolarHBondContact SG-CB 3.15Å; C26-C29 PolarHBondContact SG-N 2.98Å; C26-C29 VanDerWaalsContact SG-N 3.35Å; C26-C29 CovalentContact SG-SG 2.02Å; C26-C29 PolarHBondContact SG-SG 3.04Å; C26-Y44 HydrophobicContact CB-CD1 4.35Å; C26-Y44 HydrophobicContact CB-CD2 3.61Å; C26-Y44 HydrophobicContact CB-CE2 4.05Å; C26-Y44 HydrophobicContact CB-CG 3.78Å
27	E	94.7	Very high	95.3	Very high	187 Å²	187	52.2 Å²	52.2	87%	0.874	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.6	-178	-61.2	-178.3	165.5	0	0	114.9	C25	C25-E27 PolarHBondContact O-N 2.95Å
28	H	94.9	Very high	95.1	Very high	91 Å²	91	52.1 Å²	52.1	42%	0.421	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	2.3	179.9	60.5	-80.7	0	0	0	113.1	C26 G30 L40	C26-H28 PolarHBondContact O-N 3.33Å; H28-G30 VanDerWaalsContact C-N 3.3Å; H28-L40 WeakPolarHBondContact O-CD1 3.44Å
29	C	96.6	Very high	94.9	Very high	17 Å²	17	53.5 Å²	53.5	12%	0.115	31%	0.312	C	S	.	.	S	Bend	trans	-81.5	-7.8	-179.7	-73.7	0	0	0	0	113.3	C26 G36 F37 L40 A41	C26-C29 HydrophobicContact CB-CB 3.63Å; C26-C29 WeakPolarHBondContact CB-SG 3.34Å; C26-C29 PolarHBondContact O-N 3Å; C26-C29 WeakPolarHBondContact SG-CB 3.15Å; C26-C29 PolarHBondContact SG-N 2.98Å; C26-C29 VanDerWaalsContact SG-N 3.35Å; C26-C29 CovalentContact SG-SG 2.02Å; C26-C29 PolarHBondContact SG-SG 3.04Å; C29-G36 CarbonylContact O-C 3.46Å; C29-G36 WeakPolarHBondContact O-CA 3.44Å; C29-F37 PolarHBondContact O-N 2.71Å; C29-L40 VanDerWaalsContact SG-C 3.51Å; C29-A41 VanDerWaalsContact SG-CA 3.56Å; C29-A41 PolarHBondContact SG-N 3.25Å
30	G	93.6	Very high	94.9	Very high	26 Å²	26	53.3 Å²	53.3	27%	0.268	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	130.3	-151.8	-176.2	0	0	0	0	0	111.5	H28	H28-G30 VanDerWaalsContact C-N 3.3Å
31	D	92.9	Very high	94.9	Very high	130 Å²	130	53.2 Å²	53.2	70%	0.695	30%	0.303	S	S	*	.	S	Bend	trans	-104.3	29	-172.2	-64.4	-52.4	0	0	0	112.2	F33 E34 G35	D31-F33 PolarHBondContact O-N 3.39Å; D31-F33 VanDerWaalsContact O-N 3.14Å; D31-E34 HydrophobicContact CB-CB 3.92Å; D31-E34 PolarHBondContact O-N 2.9Å; D31-G35 PolarHBondContact N-O 2.79Å
32	G	91.4	Very high	94.9	Very high	20 Å²	20	53.4 Å²	53.4	21%	0.206	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	62.7	-112.2	179.4	0	0	0	0	0	112.2	L23 E34 G35	L23-G32 VanDerWaalsContact CD1-C 3.49Å; G32-E34 VanDerWaalsContact C-N 3.26Å; G32-E34 PolarHBondContact O-N 2.82Å; G32-G35 PolarHBondContact O-N 2.83Å
33	F	88.7	Confident	94.9	Very high	50 Å²	50	53.7 Å²	53.7	22%	0.219	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-69.4	-19.2	-179	-84.7	-57	0	0	0	115.3	L23 D31 G35 Y65 F67 I85 Y86 T88	L23-F33 HydrophobicContact CD2-CD1 4.36Å; L23-F33 HydrophobicContact CD2-CD2 4.31Å; L23-F33 HydrophobicContact CD2-CE1 3.81Å; L23-F33 HydrophobicContact CD2-CE2 3.78Å; L23-F33 HydrophobicContact CD2-CZ 3.48Å; L23-F33 VanDerWaalsContact CD2-CZ 3.48Å; D31-F33 PolarHBondContact O-N 3.39Å; D31-F33 VanDerWaalsContact O-N 3.14Å; F33-G35 PolarHBondContact O-N 3.17Å; F33-Y65 VanDerWaalsContact CE1-OH 3.27Å; F33-Y65 WeakPolarHBondContact CE1-OH 3.3Å; F33-Y65 WeakPolarHBondContact CZ-OH 3.27Å; F33-F67 HydrophobicContact CE1-CE2 4.47Å; F33-F67 HydrophobicContact CE2-CD2 4.08Å; F33-F67 HydrophobicContact CE2-CE1 4.44Å; F33-F67 AromaticContact CE2-CE2 3.25Å; F33-F67 HydrophobicContact CE2-CE2 3.25Å; F33-F67 AromaticContact CE2-CZ 3.46Å; F33-F67 HydrophobicContact CE2-CZ 3.46Å; F33-F67 VanDerWaalsContact CE2-CZ 3.46Å; F33-F67 AromaticContact CZ-CD2 3.54Å; F33-F67 HydrophobicContact CZ-CD2 3.54Å; F33-F67 AromaticContact CZ-CE2 3.16Å; F33-F67 HydrophobicContact CZ-CE2 3.16Å; F33-F67 HydrophobicContact CZ-CG 4.45Å; F33-F67 AromaticContact CZ-CZ 3.83Å; F33-F67 HydrophobicContact CZ-CZ 3.83Å; F33-I85 HydrophobicContact CB-CG2 3.77Å; F33-I85 HydrophobicContact CG-CG2 4.39Å; F33-Y86 WeakPolarHBondContact CB-O 3.42Å; F33-Y86 WeakPolarHBondContact CD2-O 3.37Å; F33-T88 PolarHBondContact N-OG1 3.45Å; F33-T88 VanDerWaalsContact N-OG1 3.1Å
34	E	87.9	Confident	94.9	Very high	146 Å²	146	52.5 Å²	52.5	68%	0.682	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-81.1	-4.4	176.1	-61.5	-67.6	169.1	0	0	112.2	D31 G32	D31-E34 HydrophobicContact CB-CB 3.92Å; D31-E34 PolarHBondContact O-N 2.9Å; G32-E34 VanDerWaalsContact C-N 3.26Å; G32-E34 PolarHBondContact O-N 2.82Å
35	G	89.9	Confident	95	Very high	37 Å²	37	51.6 Å²	51.6	38%	0.381	29%	0.292	S	S	.	.			trans	127.5	168.8	175.7	0	0	0	0	0	113.4	D31 G32 F33	D31-G35 PolarHBondContact N-O 2.79Å; G32-G35 PolarHBondContact O-N 2.83Å; F33-G35 PolarHBondContact O-N 3.17Å
36	G	94.1	Very high	95	Very high	49 Å²	49	52.8 Å²	52.8	51%	0.505	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-166.6	-178	-179.5	0	0	0	0	0	114	C29	C29-G36 CarbonylContact O-C 3.46Å; C29-G36 WeakPolarHBondContact O-CA 3.44Å
37	F	94.8	Very high	95	Very high	135 Å²	135	59.3 Å²	59.3	59%	0.592	33%	0.326	S	S	*	.			trans	-112.9	108.5	-173.6	-58.1	-77.8	0	0	0	110.3	C29 A39 L40 A41	C29-F37 PolarHBondContact O-N 2.71Å; F37-A39 VanDerWaalsContact C-N 3.27Å; F37-A39 PolarHBondContact O-N 2.88Å; F37-L40 HydrophobicContact CB-CB 4.31Å; F37-L40 HydrophobicContact CB-CD1 3.95Å; F37-L40 HydrophobicContact CB-CG 4.01Å; F37-L40 HydrophobicContact CD2-CD1 4.08Å; F37-L40 HydrophobicContact CG-CD1 4.28Å; F37-L40 PolarHBondContact O-N 2.86Å; F37-A41 PolarHBondContact O-N 3.26Å
38	P	93.9	Very high	95.2	Very high	15 Å²	15	53.9 Å²	53.9	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-51.7	-42.6	-179.6	-34.1	39.8	0	0	0	113.9	L40 A41 W42 E134 N136 A163	P38-L40 PolarHBondContact O-N 2.79Å; P38-A41 VanDerWaalsContact O-CB 3.3Å; P38-A41 WeakPolarHBondContact O-CB 3.42Å; P38-A41 PolarHBondContact O-N 3.43Å; P38-W42 VanDerWaalsContact O-CD1 3.26Å; P38-W42 PolarHBondContact O-N 3.14Å; P38-E134 HydrophobicContact CB-CG 4.23Å; P38-N136 WeakPolarHBondContact CG-OD1 3.45Å; P38-A163 HydrophobicContact CG-CB 3.83Å
39	A	95.4	Very high	95.3	Very high	31 Å²	31	49.5 Å²	49.5	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-55.1	-38.7	179	0	0	0	0	0	113.5	F37 W42 D43	F37-A39 VanDerWaalsContact C-N 3.27Å; F37-A39 PolarHBondContact O-N 2.88Å; A39-W42 PolarHBondContact O-N 2.95Å; A39-D43 PolarHBondContact O-N 3.05Å
40	L	97.5	Very high	95.4	Very high	55 Å²	55	48.9 Å²	48.9	29%	0.288	28%	0.276	S	S	.	.	H	α-helix	trans	-76	-27.3	179.4	-58.8	-178.3	0	0	0	112	H28 C29 F37 P38 W42 D43 Y44	H28-L40 WeakPolarHBondContact O-CD1 3.44Å; C29-L40 VanDerWaalsContact SG-C 3.51Å; F37-L40 HydrophobicContact CB-CB 4.31Å; F37-L40 HydrophobicContact CB-CD1 3.95Å; F37-L40 HydrophobicContact CB-CG 4.01Å; F37-L40 HydrophobicContact CD2-CD1 4.08Å; F37-L40 HydrophobicContact CG-CD1 4.28Å; F37-L40 PolarHBondContact O-N 2.86Å; P38-L40 PolarHBondContact O-N 2.79Å; L40-W42 VanDerWaalsContact C-N 3.32Å; L40-W42 PolarHBondContact O-N 2.65Å; L40-D43 WeakPolarHBondContact O-CB 3.17Å; L40-D43 PolarHBondContact O-N 2.71Å; L40-Y44 PolarHBondContact O-N 3.46Å
41	A	98.3	Very high	95.7	Very high	10 Å²	10	47.6 Å²	47.6	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-39.2	170.5	0	0	0	0	0	112	M1 L22 C29 F37 P38 D43 Y44 W45	M1-A41 HydrophobicContact CE-CB 4.41Å; L22-A41 HydrophobicContact CD1-CB 3.93Å; L22-A41 HydrophobicContact CD2-CB 3.84Å; L22-A41 HydrophobicContact CG-CB 4.38Å; C29-A41 VanDerWaalsContact SG-CA 3.56Å; C29-A41 PolarHBondContact SG-N 3.25Å; F37-A41 PolarHBondContact O-N 3.26Å; P38-A41 VanDerWaalsContact O-CB 3.3Å; P38-A41 WeakPolarHBondContact O-CB 3.42Å; P38-A41 PolarHBondContact O-N 3.43Å; A41-D43 VanDerWaalsContact C-N 3.34Å; A41-Y44 PolarHBondContact O-N 3.36Å; A41-W45 PolarHBondContact O-N 2.79Å
42	W	98.5	Very high	96	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.019	23%	0.232	C	C	.	.	H	α-helix	trans	-67.6	-34.5	173.1	-69.8	83.2	0	0	0	112.5	M1 P38 A39 L40 W45 V46 R113 E134 T210 A211 G212	M1-W42 HydrophobicContact CE-CB 4.22Å; M1-W42 HydrophobicContact CE-CD2 3.63Å; M1-W42 HydrophobicContact CE-CE3 4.08Å; M1-W42 HydrophobicContact CE-CG 3.68Å; M1-W42 HydrophobicContact CG-CD2 4.43Å; M1-W42 HydrophobicContact CG-CE3 4.11Å; M1-W42 HydrophobicContact CG-CH2 4.06Å; M1-W42 HydrophobicContact CG-CZ2 4.36Å; M1-W42 HydrophobicContact CG-CZ3 3.9Å; P38-W42 VanDerWaalsContact O-CD1 3.26Å; P38-W42 PolarHBondContact O-N 3.14Å; A39-W42 PolarHBondContact O-N 2.95Å; L40-W42 VanDerWaalsContact C-N 3.32Å; L40-W42 PolarHBondContact O-N 2.65Å; W42-W45 AromaticContact CE3-CE3 3.63Å; W42-W45 HydrophobicContact CE3-CE3 3.63Å; W42-W45 AromaticContact CE3-CZ3 3.66Å; W42-W45 HydrophobicContact CE3-CZ3 3.66Å; W42-W45 AromaticContact CZ3-CE3 3.98Å; W42-W45 HydrophobicContact CZ3-CE3 3.98Å; W42-W45 HydrophobicContact CZ3-CH2 4.38Å; W42-W45 AromaticContact CZ3-CZ3 3.62Å; W42-W45 HydrophobicContact CZ3-CZ3 3.62Å; W42-W45 PolarHBondContact O-N 2.8Å; W42-V46 WeakPolarHBondContact O-CG2 3.25Å; W42-V46 PolarHBondContact O-N 3.12Å; W42-V46 VanDerWaalsContact O-N 3.08Å; W42-R113 HydrophobicContact CB-CB 3.68Å; W42-R113 HydrophobicContact CB-CG 4.31Å; W42-E134 HydrophobicContact CZ2-CB 4.2Å; W42-E134 PolarHBondContact NE1-OE2 3.45Å; W42-T210 HydrophobicContact CB-CG2 4.21Å; W42-T210 HydrophobicContact CD2-CG2 4.34Å; W42-T210 HydrophobicContact CG-CG2 3.73Å; W42-A211 VanDerWaalsContact CE3-C 3.43Å; W42-G212 VanDerWaalsContact CE3-N 3.35Å
43	D	98.1	Very high	96.3	Very high	43 Å²	43	41 Å²	41	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-48.4	171.4	-81.7	-37.1	0	0	0	111.9	A39 L40 A41 W45 V46 K47 R113	A39-D43 PolarHBondContact O-N 3.05Å; L40-D43 WeakPolarHBondContact O-CB 3.17Å; L40-D43 PolarHBondContact O-N 2.71Å; A41-D43 VanDerWaalsContact C-N 3.34Å; D43-W45 VanDerWaalsContact C-N 3.31Å; D43-W45 PolarHBondContact O-N 2.81Å; D43-V46 PolarHBondContact O-N 2.74Å; D43-V46 VanDerWaalsContact O-N 3.16Å; D43-K47 WeakPolarHBondContact O-CB 3.27Å; D43-K47 PolarHBondContact O-N 2.91Å; D43-R113 VanDerWaalsContact CG-NE 3.26Å; D43-R113 VanDerWaalsContact OD1-CG 3.29Å; D43-R113 WeakPolarHBondContact OD1-CG 3.41Å; D43-R113 IonicContact OD1-CZ 3.46Å; D43-R113 IonicContact OD1-NE 3.43Å; D43-R113 PolarHBondContact OD1-NE 2.73Å; D43-R113 IonicContact OD1-NH2 2.71Å; D43-R113 PolarHBondContact OD1-NH2 3.29Å; D43-R113 IonicContact OD2-CZ 3.58Å; D43-R113 IonicContact OD2-NE 2.79Å; D43-R113 PolarHBondContact OD2-NE 3.21Å; D43-R113 IonicContact OD2-NH2 3.61Å; D43-R113 PolarHBondContact OD2-NH2 2.64Å
44	Y	98.5	Very high	96.8	Very high	15 Å²	15	38.7 Å²	38.7	6%	0.059	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-43.8	176.9	-176.2	-90.1	0	0	0	111.7	L22 C25 C26 L40 A41 V46 K47 E48 G49 I50 K107	L22-Y44 HydrophobicContact CD1-CD1 3.73Å; L22-Y44 HydrophobicContact CD1-CE1 4.49Å; L22-Y44 HydrophobicContact CD1-CG 4.16Å; C25-Y44 WeakPolarHBondContact CB-OH 3.44Å; C25-Y44 WeakPolarHBondContact O-CE2 3.27Å; C26-Y44 HydrophobicContact CB-CD1 4.35Å; C26-Y44 HydrophobicContact CB-CD2 3.61Å; C26-Y44 HydrophobicContact CB-CE2 4.05Å; C26-Y44 HydrophobicContact CB-CG 3.78Å; L40-Y44 PolarHBondContact O-N 3.46Å; A41-Y44 PolarHBondContact O-N 3.36Å; Y44-V46 VanDerWaalsContact C-N 3.31Å; Y44-V46 PolarHBondContact O-N 2.66Å; Y44-K47 PolarHBondContact O-N 2.97Å; Y44-E48 HydrophobicContact CD1-CB 4.42Å; Y44-E48 HydrophobicContact CD2-CB 4.09Å; Y44-E48 HydrophobicContact CD2-CG 3.87Å; Y44-E48 HydrophobicContact CE1-CB 4.08Å; Y44-E48 HydrophobicContact CE2-CB 3.73Å; Y44-E48 HydrophobicContact CE2-CG 3.64Å; Y44-E48 HydrophobicContact CG-CB 4.42Å; Y44-E48 PolarHBondContact O-N 2.82Å; Y44-G49 VanDerWaalsContact CE1-O 3.3Å; Y44-G49 WeakPolarHBondContact CE1-O 3.49Å; Y44-G49 PolarHBondContact O-N 3.4Å; Y44-I50 HydrophobicContact CD1-CG1 4.11Å; Y44-I50 HydrophobicContact CE1-CG1 4.19Å; Y44-K107 PolarHBondContact OH-NZ 2.81Å
45	W	98.6	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-36.3	176.7	175.8	57.6	0	0	0	113.3	M1 A41 W42 D43 G49 I50 H108 R109 G110 I214	M1-W45 HydrophobicContact CB-CD2 4.29Å; M1-W45 HydrophobicContact CB-CZ2 4.39Å; M1-W45 HydrophobicContact CE-CB 3.88Å; M1-W45 HydrophobicContact CE-CG 4.33Å; M1-W45 HydrophobicContact CG-CD2 3.78Å; M1-W45 HydrophobicContact CG-CE3 3.99Å; M1-W45 HydrophobicContact CG-CG 4.04Å; M1-W45 HydrophobicContact CG-CZ3 4.47Å; M1-W45 HydrophobicContact SD-CB 3.64Å; M1-W45 HydrophobicContact SD-CD2 4Å; M1-W45 HydrophobicContact SD-CE3 4.5Å; M1-W45 HydrophobicContact SD-CG 3.61Å; A41-W45 PolarHBondContact O-N 2.79Å; W42-W45 AromaticContact CE3-CE3 3.63Å; W42-W45 HydrophobicContact CE3-CE3 3.63Å; W42-W45 AromaticContact CE3-CZ3 3.66Å; W42-W45 HydrophobicContact CE3-CZ3 3.66Å; W42-W45 AromaticContact CZ3-CE3 3.98Å; W42-W45 HydrophobicContact CZ3-CE3 3.98Å; W42-W45 HydrophobicContact CZ3-CH2 4.38Å; W42-W45 AromaticContact CZ3-CZ3 3.62Å; W42-W45 HydrophobicContact CZ3-CZ3 3.62Å; W42-W45 PolarHBondContact O-N 2.8Å; D43-W45 VanDerWaalsContact C-N 3.31Å; D43-W45 PolarHBondContact O-N 2.81Å; W45-G49 WeakPolarHBondContact O-CA 3.47Å; W45-G49 PolarHBondContact O-N 2.7Å; W45-I50 HydrophobicContact CB-CD1 3.92Å; W45-I50 HydrophobicContact CB-CG1 4.4Å; W45-I50 HydrophobicContact CG-CD1 4.24Å; W45-H108 VanDerWaalsContact CD1-O 3.28Å; W45-H108 PolarHBondContact NE1-O 2.81Å; W45-R109 WeakPolarHBondContact O-CA 3.33Å; W45-G110 VanDerWaalsContact CH2-CA 3.48Å; W45-G110 VanDerWaalsContact CZ2-CA 3.47Å; W45-G110 PolarHBondContact O-N 2.79Å; W45-I214 HydrophobicContact CH2-CG2 3.66Å; W45-I214 HydrophobicContact CZ2-CG2 3.6Å
46	V	98.4	Very high	97.6	Very high	39 Å²	39	35.8 Å²	35.8	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-72.8	-45.6	176	172	0	0	0	0	111.1	W42 D43 Y44 R113	W42-V46 WeakPolarHBondContact O-CG2 3.25Å; W42-V46 PolarHBondContact O-N 3.12Å; W42-V46 VanDerWaalsContact O-N 3.08Å; D43-V46 PolarHBondContact O-N 2.74Å; D43-V46 VanDerWaalsContact O-N 3.16Å; Y44-V46 VanDerWaalsContact C-N 3.31Å; Y44-V46 PolarHBondContact O-N 2.66Å; V46-R113 HydrophobicContact CG2-CB 4.22Å
47	K	98	Very high	97.7	Very high	144 Å²	144	37.8 Å²	37.8	63%	0.626	19%	0.189	S	C	*	.	H	α-helix	trans	-77.5	-57	-172.8	-172.5	-172.2	174.5	-163.5	0	112.5	D43 Y44	D43-K47 WeakPolarHBondContact O-CB 3.27Å; D43-K47 PolarHBondContact O-N 2.91Å; Y44-K47 PolarHBondContact O-N 2.97Å
48	E	98.3	Very high	97.7	Very high	73 Å²	73	36.6 Å²	36.6	34%	0.341	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-32	-172.1	-55.9	-55.6	155.5	0	0	111.8	Y44 R109	Y44-E48 HydrophobicContact CD1-CB 4.42Å; Y44-E48 HydrophobicContact CD2-CB 4.09Å; Y44-E48 HydrophobicContact CD2-CG 3.87Å; Y44-E48 HydrophobicContact CE1-CB 4.08Å; Y44-E48 HydrophobicContact CE2-CB 3.73Å; Y44-E48 HydrophobicContact CE2-CG 3.64Å; Y44-E48 HydrophobicContact CG-CB 4.42Å; Y44-E48 PolarHBondContact O-N 2.82Å; E48-R109 PolarHBondContact O-NE 3.03Å; E48-R109 PolarHBondContact O-NH2 3.43Å
49	G	98.4	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.			trans	78.9	169.8	-172.5	0	0	0	0	0	112.6	Y44 W45 K107 H108	Y44-G49 VanDerWaalsContact CE1-O 3.3Å; Y44-G49 WeakPolarHBondContact CE1-O 3.49Å; Y44-G49 PolarHBondContact O-N 3.4Å; W45-G49 WeakPolarHBondContact O-CA 3.47Å; W45-G49 PolarHBondContact O-N 2.7Å; G49-K107 VanDerWaalsContact C-CD 3.46Å; G49-K107 VanDerWaalsContact O-CD 3.26Å; G49-K107 WeakPolarHBondContact O-CD 3.25Å; G49-K107 PolarHBondContact O-NZ 3.02Å; G49-H108 VanDerWaalsContact CA-O 3.24Å; G49-H108 WeakPolarHBondContact CA-O 3.36Å
50	I	98.9	Very high	97.8	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-128.2	135.9	-177.8	-58.9	167.8	0	0	0	108.6	M1 L17 S18 D21 L22 Y44 W45 H108	M1-I50 HydrophobicContact SD-CD1 3.62Å; L17-I50 HydrophobicContact CB-CG2 4.01Å; S18-I50 VanDerWaalsContact O-CG2 3.3Å; S18-I50 WeakPolarHBondContact O-CG2 3.47Å; D21-I50 HydrophobicContact CB-CG2 4.2Å; D21-I50 VanDerWaalsContact OD2-CA 3.27Å; D21-I50 WeakPolarHBondContact OD2-CA 3.32Å; L22-I50 HydrophobicContact CB-CD1 4.02Å; L22-I50 HydrophobicContact CB-CG1 4.4Å; L22-I50 HydrophobicContact CD1-CD1 4.17Å; L22-I50 HydrophobicContact CD2-CD1 4.15Å; L22-I50 HydrophobicContact CG-CD1 4.34Å; Y44-I50 HydrophobicContact CD1-CG1 4.11Å; Y44-I50 HydrophobicContact CE1-CG1 4.19Å; W45-I50 HydrophobicContact CB-CD1 3.92Å; W45-I50 HydrophobicContact CB-CG1 4.4Å; W45-I50 HydrophobicContact CG-CD1 4.24Å; I50-H108 PolarHBondContact N-O 3.4Å; I50-H108 PolarHBondContact O-N 2.89Å
51	V	98.9	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.			trans	-75.6	171.6	175.5	-56.9	0	0	0	0	111.2	L17 S18 D21 C62 Q63 Y103 D106 K107	L17-V51 WeakPolarHBondContact CA-O 3.44Å; S18-V51 WeakPolarHBondContact CB-O 3.38Å; S18-V51 PolarHBondContact N-O 3.31Å; D21-V51 HydrophobicContact CB-CG2 3.76Å; D21-V51 PolarHBondContact OD2-N 2.82Å; V51-C62 HydrophobicContact CB-CB 3.94Å; V51-C62 HydrophobicContact CG2-CB 3.95Å; V51-Q63 HydrophobicContact CG2-CB 4.08Å; V51-Q63 HydrophobicContact CG2-CG 4.06Å; V51-Y103 HydrophobicContact CG1-CD2 3.67Å; V51-Y103 HydrophobicContact CG1-CE2 3.63Å; V51-Y103 HydrophobicContact CG1-CG 4.2Å; V51-Y103 WeakPolarHBondContact CG1-O 3.28Å; V51-Y103 HydrophobicContact CG2-CD2 4.41Å; V51-Y103 HydrophobicContact CG2-CE2 4.16Å; V51-D106 WeakPolarHBondContact CA-O 3.32Å; V51-D106 HydrophobicContact CB-CB 4.29Å; V51-D106 HydrophobicContact CG1-CB 4.23Å; V51-K107 HydrophobicContact CG1-CD 3.71Å; V51-K107 HydrophobicContact CG1-CG 3.96Å
52	T	98.9	Very high	97.8	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.043	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-77.4	151.1	174	60.3	0	0	0	0	112	V15 E16 S61 C62 Q63 D106	V15-T52 HydrophobicContact CB-CG2 4.1Å; V15-T52 HydrophobicContact CG1-CG2 4.11Å; E16-T52 CarbonylContact O-C 3.44Å; E16-T52 WeakPolarHBondContact O-CA 3.36Å; T52-S61 VanDerWaalsContact OG1-CB 3.25Å; T52-S61 WeakPolarHBondContact OG1-CB 3.49Å; T52-C62 CarbonylContact O-C 3.49Å; T52-C62 WeakPolarHBondContact O-CA 3.25Å; T52-C62 VanDerWaalsContact O-CB 3.31Å; T52-C62 WeakPolarHBondContact O-CB 3.27Å; T52-C62 PolarHBondContact O-N 3.44Å; T52-C62 VanDerWaalsContact O-N 3.12Å; T52-C62 PolarHBondContact OG1-N 2.68Å; T52-C62 VanDerWaalsContact OG1-N 3.14Å; T52-Q63 PolarHBondContact O-N 2.8Å; T52-D106 WeakPolarHBondContact CB-OD2 3.21Å; T52-D106 WeakPolarHBondContact CG2-OD2 3.35Å; T52-D106 PolarHBondContact N-OD2 2.99Å; T52-D106 PolarHBondContact OG1-OD1 3.22Å; T52-D106 PolarHBondContact OG1-OD2 3.17Å
53	G	98.6	Very high	97.8	Very high	4 Å²	4	42.4 Å²	42.4	4%	0.041	22%	0.215	C	C	.	.			trans	-177.4	119.5	179.3	0	0	0	0	0	113.1	E16 Q63	E16-G53 PolarHBondContact O-N 3.04Å; G53-Q63 WeakPolarHBondContact CA-O 3.44Å
54	S	98.3	Very high	97.9	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	21%	0.21	C	C	.	.			trans	-83.4	-175.2	178.7	72.3	0	0	0	0	113.4	E16 N58 H59 T60 P64 Y65	E16-S54 VanDerWaalsContact OE2-CA 3.31Å; E16-S54 WeakPolarHBondContact OE2-CA 3.44Å; E16-S54 WeakPolarHBondContact OE2-CB 3.38Å; S54-N58 WeakPolarHBondContact OG-CB 3.44Å; S54-H59 PolarHBondContact OG-N 3.48Å; S54-T60 VanDerWaalsContact CB-OG1 3.26Å; S54-T60 WeakPolarHBondContact CB-OG1 3.34Å; S54-T60 PolarHBondContact N-O 3.01Å; S54-T60 PolarHBondContact OG-N 3.34Å; S54-T60 PolarHBondContact OG-O 3.18Å; S54-T60 PolarHBondContact OG-OG1 3.28Å; S54-T60 VanDerWaalsContact OG-OG1 3.09Å; S54-P64 CarbonylContact O-C 3.23Å; S54-P64 WeakPolarHBondContact O-CA 3.37Å; S54-Y65 PolarHBondContact O-N 3.17Å
55	S	97.8	Very high	97.8	Very high	30 Å²	30	44 Å²	44	21%	0.21	22%	0.221	C	C	.	.			trans	-60.3	164.2	165.4	91.7	0	0	0	0	112.6	E57 N58 H59	S55-E57 VanDerWaalsContact CB-OE2 3.32Å; S55-E57 WeakPolarHBondContact CB-OE2 3.3Å; S55-E57 PolarHBondContact O-N 2.84Å; S55-E57 PolarHBondContact OG-N 3.29Å; S55-E57 PolarHBondContact OG-OE2 3.15Å; S55-N58 PolarHBondContact O-N 3.28Å; S55-N58 PolarHBondContact OG-N 3.44Å; S55-H59 PolarHBondContact O-N 3.42Å
56	K	96.9	Very high	97.7	Very high	91 Å²	91	46.3 Å²	46.3	40%	0.396	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.8	174.6	-170.9	-173.9	178.6	65.9	0	112	Y65 P66 F67 P68	K56-Y65 WeakPolarHBondContact CA-O 3.45Å; K56-Y65 WeakPolarHBondContact CB-O 3.21Å; K56-Y65 PolarHBondContact N-O 2.91Å; K56-P66 WeakPolarHBondContact CD-O 3.47Å; K56-P66 WeakPolarHBondContact CE-O 3.37Å; K56-P66 PolarHBondContact NZ-O 2.91Å; K56-F67 WeakPolarHBondContact CB-O 3.5Å; K56-P68 HydrophobicContact CD-CB 3.94Å
57	E	96	Very high	97.6	Very high	91 Å²	91	46 Å²	46	43%	0.425	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-36.5	-174.1	-59.3	71.4	-153.3	0	0	112	S55 K69	S55-E57 VanDerWaalsContact CB-OE2 3.32Å; S55-E57 WeakPolarHBondContact CB-OE2 3.3Å; S55-E57 PolarHBondContact O-N 2.84Å; S55-E57 PolarHBondContact OG-N 3.29Å; S55-E57 PolarHBondContact OG-OE2 3.15Å; E57-K69 PolarHBondContact OE1-N 3.48Å
58	N	96.3	Very high	97.4	Very high	111 Å²	111	41.8 Å²	41.8	59%	0.594	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-37.2	175.9	-73.5	-11.7	0	0	0	111.7	S54 S55 T60	S54-N58 WeakPolarHBondContact OG-CB 3.44Å; S55-N58 PolarHBondContact O-N 3.28Å; S55-N58 PolarHBondContact OG-N 3.44Å; N58-T60 VanDerWaalsContact C-N 3.31Å; N58-T60 WeakPolarHBondContact O-CG2 3.37Å; N58-T60 PolarHBondContact O-N 3.28Å
59	H	94.6	Very high	97.3	Very high	114 Å²	114	41.6 Å²	41.6	53%	0.528	22%	0.217	S	C	.	.			trans	54.5	39.5	174.8	-155.9	66.8	0	0	0	115.1	S54 S55 Q96	S54-H59 PolarHBondContact OG-N 3.48Å; S55-H59 PolarHBondContact O-N 3.42Å; H59-Q96 PolarHBondContact CD2-OE1 2.9Å; H59-Q96 PolarHBondContact NE2-OE1 2.71Å; H59-Q96 VanDerWaalsContact NE2-OE1 3.15Å; H59-Q96 PolarHBondContact O-NE2 3.07Å
60	T	96.6	Very high	97.2	Very high	74 Å²	74	42.8 Å²	42.8	45%	0.454	23%	0.225	S	C	.	.			trans	-111.6	163.8	-179.4	58.1	0	0	0	0	112.6	S54 N58 P64	S54-T60 VanDerWaalsContact CB-OG1 3.26Å; S54-T60 WeakPolarHBondContact CB-OG1 3.34Å; S54-T60 PolarHBondContact N-O 3.01Å; S54-T60 PolarHBondContact OG-N 3.34Å; S54-T60 PolarHBondContact OG-O 3.18Å; S54-T60 PolarHBondContact OG-OG1 3.28Å; S54-T60 VanDerWaalsContact OG-OG1 3.09Å; N58-T60 VanDerWaalsContact C-N 3.31Å; N58-T60 WeakPolarHBondContact O-CG2 3.37Å; N58-T60 PolarHBondContact O-N 3.28Å; T60-P64 WeakPolarHBondContact O-CG 3.29Å
61	S	97.3	Very high	97.1	Very high	33 Å²	33	43.2 Å²	43.2	23%	0.231	23%	0.227	C	C	.	.	S	Bend	trans	74.6	-165.8	173.4	-42.9	0	0	0	0	113.4	T52 Q96	T52-S61 VanDerWaalsContact OG1-CB 3.25Å; T52-S61 WeakPolarHBondContact OG1-CB 3.49Å; S61-Q96 WeakPolarHBondContact O-CG 3.41Å; S61-Q96 PolarHBondContact O-NE2 2.75Å
62	C	98.7	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-67.1	-56.1	-170.1	178.3	0	0	0	0	113.8	V51 T52 C95 Q96 Y99 D106	V51-C62 HydrophobicContact CB-CB 3.94Å; V51-C62 HydrophobicContact CG2-CB 3.95Å; T52-C62 CarbonylContact O-C 3.49Å; T52-C62 WeakPolarHBondContact O-CA 3.25Å; T52-C62 VanDerWaalsContact O-CB 3.31Å; T52-C62 WeakPolarHBondContact O-CB 3.27Å; T52-C62 PolarHBondContact O-N 3.44Å; T52-C62 VanDerWaalsContact O-N 3.12Å; T52-C62 PolarHBondContact OG1-N 2.68Å; T52-C62 VanDerWaalsContact OG1-N 3.14Å; C62-C95 HydrophobicContact CB-CB 3.86Å; C62-C95 WeakPolarHBondContact CB-SG 3.15Å; C62-C95 CarbonylContact O-C 3.51Å; C62-C95 VanDerWaalsContact O-CA 3.29Å; C62-C95 WeakPolarHBondContact O-CA 3.39Å; C62-C95 WeakPolarHBondContact SG-CA 3.49Å; C62-C95 WeakPolarHBondContact SG-CB 3.37Å; C62-C95 CovalentContact SG-SG 2.03Å; C62-C95 PolarHBondContact SG-SG 3.11Å; C62-Q96 PolarHBondContact O-N 3.34Å; C62-Y99 HydrophobicContact CB-CD1 3.82Å; C62-Y99 HydrophobicContact CB-CE1 3.77Å; C62-D106 HydrophobicContact CB-CB 4.37Å; C62-D106 WeakPolarHBondContact CB-OD2 3.29Å
63	Q	98.6	Very high	96.5	Very high	17 Å²	17	50.5 Å²	50.5	8%	0.079	26%	0.26	C	S	.	.	S	Bend	trans	-133.5	85.5	-176.1	-70.4	-170.7	-50.6	0	0	111.9	S18 V20 D21 V51 T52 G53 E92 T94	S18-Q63 WeakPolarHBondContact CB-O 3.43Å; S18-Q63 PolarHBondContact OG-O 2.86Å; V20-Q63 HydrophobicContact CG1-CB 3.97Å; D21-Q63 VanDerWaalsContact CB-OE1 3.31Å; V51-Q63 HydrophobicContact CG2-CB 4.08Å; V51-Q63 HydrophobicContact CG2-CG 4.06Å; T52-Q63 PolarHBondContact O-N 2.8Å; G53-Q63 WeakPolarHBondContact CA-O 3.44Å; Q63-E92 PolarHBondContact NE2-O 2.85Å; Q63-T94 PolarHBondContact NE2-O 3.33Å; Q63-T94 VanDerWaalsContact NE2-O 3.11Å
64	P	98.4	Very high	96.3	Very high	18 Å²	18	51.7 Å²	51.7	12%	0.117	27%	0.267	C	S	.	.			trans	-60.4	149.5	173.5	-14.4	25	0	0	0	111.9	S54 T60 Q96	S54-P64 CarbonylContact O-C 3.23Å; S54-P64 WeakPolarHBondContact O-CA 3.37Å; T60-P64 WeakPolarHBondContact O-CG 3.29Å; P64-Q96 VanDerWaalsContact CG-NE2 3.34Å
65	Y	97.9	Very high	96.1	Very high	73 Å²	73	61.3 Å²	61.3	29%	0.286	31%	0.308	S	S	.	.			trans	-60.3	132.2	175.4	-160.7	-118.7	0	0	0	110.4	A19 V20 L23 F33 S54 K56 F67	A19-Y65 HydrophobicContact CB-CD2 4.11Å; A19-Y65 HydrophobicContact CB-CE2 4.31Å; V20-Y65 HydrophobicContact CB-CD2 4.1Å; L23-Y65 HydrophobicContact CD2-CE2 4.42Å; F33-Y65 VanDerWaalsContact CE1-OH 3.27Å; F33-Y65 WeakPolarHBondContact CE1-OH 3.3Å; F33-Y65 WeakPolarHBondContact CZ-OH 3.27Å; S54-Y65 PolarHBondContact O-N 3.17Å; K56-Y65 WeakPolarHBondContact CA-O 3.45Å; K56-Y65 WeakPolarHBondContact CB-O 3.21Å; K56-Y65 PolarHBondContact N-O 2.91Å; Y65-F67 HydrophobicContact CD1-CB 4.1Å; Y65-F67 HydrophobicContact CD1-CD2 4.31Å; Y65-F67 HydrophobicContact CE1-CB 3.71Å; Y65-F67 AromaticContact CE1-CD2 3.74Å; Y65-F67 HydrophobicContact CE1-CD2 3.74Å; Y65-F67 HydrophobicContact CE1-CG 4.22Å; Y65-F67 HydrophobicContact CE2-CD2 4.12Å; Y65-F67 AromaticContact CZ-CD2 3.62Å
66	P	96.2	Very high	95.9	Very high	49 Å²	49	62 Å²	62	32%	0.318	32%	0.32	S	S	.	.			trans	-86.7	-12.2	-171.4	31.6	-33.9	0	0	0	113.7	V20 K56 P89	V20-P66 HydrophobicContact CG2-CG 4.09Å; K56-P66 WeakPolarHBondContact CD-O 3.47Å; K56-P66 WeakPolarHBondContact CE-O 3.37Å; K56-P66 PolarHBondContact NZ-O 2.91Å; P66-P89 HydrophobicContact CG-CG 4.21Å
67	F	95.2	Very high	95.9	Very high	32 Å²	32	63.7 Å²	63.7	14%	0.14	33%	0.327	C	S	.	.	S	Bend	trans	-99.8	139	-175.3	-52.3	-74.3	0	0	0	112	F33 K56 Y65 Y86 P89	F33-F67 HydrophobicContact CE1-CE2 4.47Å; F33-F67 HydrophobicContact CE2-CD2 4.08Å; F33-F67 HydrophobicContact CE2-CE1 4.44Å; F33-F67 AromaticContact CE2-CE2 3.25Å; F33-F67 HydrophobicContact CE2-CE2 3.25Å; F33-F67 AromaticContact CE2-CZ 3.46Å; F33-F67 HydrophobicContact CE2-CZ 3.46Å; F33-F67 VanDerWaalsContact CE2-CZ 3.46Å; F33-F67 AromaticContact CZ-CD2 3.54Å; F33-F67 HydrophobicContact CZ-CD2 3.54Å; F33-F67 AromaticContact CZ-CE2 3.16Å; F33-F67 HydrophobicContact CZ-CE2 3.16Å; F33-F67 HydrophobicContact CZ-CG 4.45Å; F33-F67 AromaticContact CZ-CZ 3.83Å; F33-F67 HydrophobicContact CZ-CZ 3.83Å; K56-F67 WeakPolarHBondContact CB-O 3.5Å; Y65-F67 HydrophobicContact CD1-CB 4.1Å; Y65-F67 HydrophobicContact CD1-CD2 4.31Å; Y65-F67 HydrophobicContact CE1-CB 3.71Å; Y65-F67 AromaticContact CE1-CD2 3.74Å; Y65-F67 HydrophobicContact CE1-CD2 3.74Å; Y65-F67 HydrophobicContact CE1-CG 4.22Å; Y65-F67 HydrophobicContact CE2-CD2 4.12Å; Y65-F67 AromaticContact CZ-CD2 3.62Å; F67-Y86 HydrophobicContact CB-CD2 4.33Å; F67-Y86 HydrophobicContact CB-CE2 4.1Å; F67-Y86 AromaticContact CD1-CD1 3.75Å; F67-Y86 HydrophobicContact CD1-CD1 3.75Å; F67-Y86 AromaticContact CD1-CD2 3.36Å; F67-Y86 HydrophobicContact CD1-CD2 3.36Å; F67-Y86 AromaticContact CD1-CE1 3.99Å; F67-Y86 HydrophobicContact CD1-CE1 3.99Å; F67-Y86 AromaticContact CD1-CE2 3.61Å; F67-Y86 HydrophobicContact CD1-CE2 3.61Å; F67-Y86 AromaticContact CD1-CG 3.43Å; F67-Y86 HydrophobicContact CD1-CG 3.43Å; F67-Y86 VanDerWaalsContact CD1-CG 3.43Å; F67-Y86 AromaticContact CD1-CZ 3.91Å; F67-Y86 VanDerWaalsContact CE1-CB 3.47Å; F67-Y86 AromaticContact CE1-CD1 3.65Å; F67-Y86 HydrophobicContact CE1-CD1 3.65Å; F67-Y86 AromaticContact CE1-CD2 3.79Å; F67-Y86 HydrophobicContact CE1-CD2 3.79Å; F67-Y86 HydrophobicContact CE1-CE1 4.3Å; F67-Y86 HydrophobicContact CE1-CE2 4.4Å; F67-Y86 AromaticContact CE1-CG 3.36Å; F67-Y86 HydrophobicContact CE1-CG 3.36Å; F67-Y86 AromaticContact CG-CD2 3.88Å; F67-Y86 HydrophobicContact CG-CD2 3.88Å; F67-Y86 HydrophobicContact CG-CE2 4.1Å; F67-Y86 HydrophobicContact CG-CG 4.32Å; F67-Y86 HydrophobicContact CZ-CG 4.21Å; F67-P89 HydrophobicContact CE2-CG 3.74Å; F67-P89 HydrophobicContact CZ-CG 3.71Å
68	P	95	Very high	95.9	Very high	56 Å²	56	62 Å²	62	36%	0.364	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-73.3	156.2	-177.7	31.9	-35.2	0	0	0	111.3	K56	K56-P68 HydrophobicContact CD-CB 3.94Å
69	K	96.4	Very high	95.8	Very high	68 Å²	68	61.1 Å²	61.1	30%	0.296	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-58.3	143.9	165.9	-69.7	-173.9	175.8	-163.5	0	111.6	E57 Y78 E186	E57-K69 PolarHBondContact OE1-N 3.48Å; K69-Y78 HydrophobicContact CB-CD1 3.78Å; K69-Y78 HydrophobicContact CB-CD2 4.38Å; K69-Y78 HydrophobicContact CB-CE1 3.9Å; K69-Y78 HydrophobicContact CB-CE2 4.45Å; K69-Y78 HydrophobicContact CB-CG 4.04Å; K69-Y78 HydrophobicContact CD-CD1 4.33Å; K69-Y78 HydrophobicContact CD-CE1 3.63Å; K69-Y78 HydrophobicContact CD-CE2 3.8Å; K69-Y78 VanDerWaalsContact CD-OH 3.3Å; K69-Y78 WeakPolarHBondContact CD-OH 3.5Å; K69-Y78 HydrophobicContact CG-CE1 4.43Å; K69-Y78 PolarHBondContact NZ-OH 2.79Å; K69-E186 IonicContact NZ-OE1 2.71Å; K69-E186 IonicContact NZ-OE2 3.57Å; K69-E186 PolarHBondContact NZ-OE2 3.12Å
70	C	96.5	Very high	95.8	Very high	25 Å²	25	59.6 Å²	59.6	17%	0.169	33%	0.325	C	S	.	.			trans	-148.8	161.5	174.6	64.9	0	0	0	0	111.1	H72 P79 C81 N185	C70-H72 PolarHBondContact O-CD2 2.73Å; C70-P79 CarbonylContact C-O 3.55Å; C70-P79 WeakPolarHBondContact CA-O 3.33Å; C70-P79 WeakPolarHBondContact CB-O 3.44Å; C70-C81 HydrophobicContact CB-CB 3.83Å; C70-C81 WeakPolarHBondContact CB-SG 3.39Å; C70-C81 WeakPolarHBondContact SG-CA 3.4Å; C70-C81 WeakPolarHBondContact SG-CB 3.4Å; C70-C81 CovalentContact SG-SG 2.04Å; C70-C81 PolarHBondContact SG-SG 2.92Å; C70-N185 PolarHBondContact O-ND2 3.16Å
71	E	96.4	Very high	95.7	Very high	13 Å²	13	58 Å²	58	6%	0.061	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-81.8	125.2	-179.7	-62	-59.8	168.4	0	0	112.8	T74 G76 K77 Y78 P79 C81 N185 D187	E71-T74 WeakPolarHBondContact OE2-CG2 3.28Å; E71-G76 WeakPolarHBondContact OE1-CA 3.16Å; E71-K77 PolarHBondContact OE1-N 2.97Å; E71-Y78 VanDerWaalsContact CG-O 3.25Å; E71-Y78 WeakPolarHBondContact CG-O 3.47Å; E71-Y78 WeakPolarHBondContact OE1-CB 3.36Å; E71-Y78 WeakPolarHBondContact OE1-CD2 3.49Å; E71-Y78 PolarHBondContact OE1-N 2.81Å; E71-P79 PolarHBondContact N-O 3.41Å; E71-C81 VanDerWaalsContact C-SG 3.53Å; E71-C81 PolarHBondContact O-N 3.25Å; E71-C81 PolarHBondContact O-SG 3.28Å; E71-N185 PolarHBondContact OE2-ND2 3.17Å; E71-D187 VanDerWaalsContact OE1-OD2 3.1Å
72	H	94	Very high	95.1	Very high	52 Å²	52	63.2 Å²	63.2	24%	0.241	34%	0.335	C	S	.	.	S	Bend	trans	-101.5	110	175.8	-66.9	-100.1	0	0	0	110.1	C70 T74 W184 W188	C70-H72 PolarHBondContact O-CD2 2.73Å; H72-T74 PolarHBondContact O-N 3.05Å; H72-W184 HydrophobicContact CB-CB 3.79Å; H72-W184 HydrophobicContact CB-CD2 3.81Å; H72-W184 HydrophobicContact CB-CE3 4.05Å; H72-W184 HydrophobicContact CB-CG 3.69Å; H72-W184 AromaticContact CD2-CD1 3.88Å; H72-W184 AromaticContact CD2-CG 3.9Å; H72-W184 AromaticContact CE1-CD1 3.69Å; H72-W184 AromaticContact CG-CD1 3.65Å; H72-W184 AromaticContact CG-CG 3.55Å; H72-W184 AromaticContact ND1-CD1 3.53Å; H72-W184 AromaticContact ND1-CG 3.86Å; H72-W184 AromaticContact ND1-NE1 3.7Å; H72-W184 AromaticContact NE2-CD1 3.89Å; H72-W188 VanDerWaalsContact O-CD1 3.24Å
73	H	91.4	Very high	94.2	Very high	108 Å²	108	72.9 Å²	72.9	50%	0.5	38%	0.38	S	S	.	.	S	Bend	trans	51.6	24.9	172.4	-47.9	-69.9	0	0	0	115	L144 K147	H73-L144 HydrophobicContact CB-CB 4.15Å; H73-L144 VanDerWaalsContact CB-O 3.3Å; H73-L144 WeakPolarHBondContact CB-O 3.44Å; H73-K147 PolarHBondContact O-NZ 2.73Å
74	T	93.5	Very high	93.4	Very high	29 Å²	29	80 Å²	80	18%	0.178	41%	0.414	C	S	.	.	S	Bend	trans	-143.8	168.5	-179.6	-160.3	0	0	0	0	109.9	E71 H72 K147 W188	E71-T74 WeakPolarHBondContact OE2-CG2 3.28Å; H72-T74 PolarHBondContact O-N 3.05Å; T74-K147 PolarHBondContact OG1-NZ 3.07Å; T74-W188 HydrophobicContact CG2-CB 4.26Å
75	K	93.3	Very high	92.7	Very high	203 Å²	203	84.2 Å²	84.2	88%	0.883	43%	0.434	S	S	*	.			trans	-102.7	134.8	169.9	-65.1	-177.2	-179.6	-178.4	0	107.4
76	G	94.8	Very high	92.3	Very high	44 Å²	44	84.8 Å²	84.8	45%	0.454	44%	0.436	S	S	.	.	S	Bend	trans	-162	-160.7	179.1	0	0	0	0	0	111.2	E71 D187	E71-G76 WeakPolarHBondContact OE1-CA 3.16Å; G76-D187 VanDerWaalsContact CA-OD2 3.29Å; G76-D187 WeakPolarHBondContact CA-OD2 3.44Å
77	K	96.1	Very high	92.1	Very high	128 Å²	128	91.5 Å²	91.5	56%	0.557	46%	0.46	S	S	*	.	S	Bend	trans	-87.7	-14.2	-175.1	74.5	-150.2	176.3	-137.2	0	113.2	E71 E186 D187	E71-K77 PolarHBondContact OE1-N 2.97Å; K77-E186 VanDerWaalsContact CE-OE1 3.3Å; K77-E186 WeakPolarHBondContact CE-OE1 3.04Å; K77-E186 IonicContact NZ-OE1 3.93Å; K77-E186 PolarHBondContact NZ-OE1 2.76Å; K77-D187 WeakPolarHBondContact CG-OD2 3.26Å; K77-D187 PolarHBondContact N-OD2 2.84Å; K77-D187 IonicContact NZ-OD1 2.73Å; K77-D187 PolarHBondContact NZ-OD1 2.79Å; K77-D187 IonicContact NZ-OD2 2.79Å
78	Y	96	Very high	92	Very high	55 Å²	55	92.5 Å²	92.5	22%	0.216	47%	0.469	C	S	.	.	S	Bend	trans	-85.3	159.8	177.3	-61	-64.1	0	0	0	111.6	K69 E71 N185 E186	K69-Y78 HydrophobicContact CB-CD1 3.78Å; K69-Y78 HydrophobicContact CB-CD2 4.38Å; K69-Y78 HydrophobicContact CB-CE1 3.9Å; K69-Y78 HydrophobicContact CB-CE2 4.45Å; K69-Y78 HydrophobicContact CB-CG 4.04Å; K69-Y78 HydrophobicContact CD-CD1 4.33Å; K69-Y78 HydrophobicContact CD-CE1 3.63Å; K69-Y78 HydrophobicContact CD-CE2 3.8Å; K69-Y78 VanDerWaalsContact CD-OH 3.3Å; K69-Y78 WeakPolarHBondContact CD-OH 3.5Å; K69-Y78 HydrophobicContact CG-CE1 4.43Å; K69-Y78 PolarHBondContact NZ-OH 2.79Å; E71-Y78 VanDerWaalsContact CG-O 3.25Å; E71-Y78 WeakPolarHBondContact CG-O 3.47Å; E71-Y78 WeakPolarHBondContact OE1-CB 3.36Å; E71-Y78 WeakPolarHBondContact OE1-CD2 3.49Å; E71-Y78 PolarHBondContact OE1-N 2.81Å; Y78-N185 HydrophobicContact CD2-CB 4.3Å; Y78-N185 HydrophobicContact CE2-CB 4.19Å; Y78-E186 PolarHBondContact OH-OE1 3.14Å
79	P	95.4	Very high	92	Very high	92 Å²	92	91.5 Å²	91.5	60%	0.597	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-60.7	152.4	169.6	-20.6	33.4	0	0	0	111	C70 E71	C70-P79 CarbonylContact C-O 3.55Å; C70-P79 WeakPolarHBondContact CA-O 3.33Å; C70-P79 WeakPolarHBondContact CB-O 3.44Å; E71-P79 PolarHBondContact N-O 3.41Å
80	A	94.1	Very high	92	Very high	82 Å²	82	95 Å²	95	68%	0.678	48%	0.484	S	S	*	.	B	Isolated β-bridge	trans	-58.2	141.9	168.3	0	0	0	0	0	110.3
81	C	93.7	Very high	92	Very high	40 Å²	40	96.1 Å²	96.1	27%	0.27	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-61.4	146.2	173.3	-63.2	0	0	0	0	110.9	C70 E71	C70-C81 HydrophobicContact CB-CB 3.83Å; C70-C81 WeakPolarHBondContact CB-SG 3.39Å; C70-C81 WeakPolarHBondContact SG-CA 3.4Å; C70-C81 WeakPolarHBondContact SG-CB 3.4Å; C70-C81 CovalentContact SG-SG 2.04Å; C70-C81 PolarHBondContact SG-SG 2.92Å; E71-C81 VanDerWaalsContact C-SG 3.53Å; E71-C81 PolarHBondContact O-N 3.25Å; E71-C81 PolarHBondContact O-SG 3.28Å
82	F	85.4	Confident	92	Very high	144 Å²	144	101.1 Å²	101.1	63%	0.632	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-63.6	145.2	174.4	-66.5	-84.7	0	0	0	110.3	E84 Y86	F82-E84 VanDerWaalsContact C-N 3.29Å; F82-Y86 AromaticContact CD2-CZ 3.85Å; F82-Y86 WeakPolarHBondContact CD2-OH 3.22Å; F82-Y86 WeakPolarHBondContact CE2-OH 3.3Å
83	E	78.9	Confident	92.2	Very high	202 Å²	202	103.6 Å²	103.6	94%	0.944	53%	0.53	S	S	*	.	S	Bend	trans	-68.5	-32.4	174.5	-66.7	-174.2	172.7	0	0	111.6
84	E	83.6	Confident	92.5	Very high	168 Å²	168	102.4 Å²	102.4	79%	0.785	53%	0.531	S	S	*	.	S	Bend	trans	-82.9	129.4	175.1	-69.9	-174.5	176.7	0	0	111.3	F82	F82-E84 VanDerWaalsContact C-N 3.29Å
85	I	83.7	Confident	92.8	Very high	105 Å²	105	102.2 Å²	102.2	54%	0.538	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-69.3	134.5	172.3	-57.9	175.6	0	0	0	108.6	F33	F33-I85 HydrophobicContact CB-CG2 3.77Å; F33-I85 HydrophobicContact CG-CG2 4.39Å
86	Y	88.9	Confident	93	Very high	86 Å²	86	94.1 Å²	94.1	34%	0.337	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-63	147.2	174.7	-66.6	-68.7	0	0	0	111.5	F33 F67 F82	F33-Y86 WeakPolarHBondContact CB-O 3.42Å; F33-Y86 WeakPolarHBondContact CD2-O 3.37Å; F67-Y86 HydrophobicContact CB-CD2 4.33Å; F67-Y86 HydrophobicContact CB-CE2 4.1Å; F67-Y86 AromaticContact CD1-CD1 3.75Å; F67-Y86 HydrophobicContact CD1-CD1 3.75Å; F67-Y86 AromaticContact CD1-CD2 3.36Å; F67-Y86 HydrophobicContact CD1-CD2 3.36Å; F67-Y86 AromaticContact CD1-CE1 3.99Å; F67-Y86 HydrophobicContact CD1-CE1 3.99Å; F67-Y86 AromaticContact CD1-CE2 3.61Å; F67-Y86 HydrophobicContact CD1-CE2 3.61Å; F67-Y86 AromaticContact CD1-CG 3.43Å; F67-Y86 HydrophobicContact CD1-CG 3.43Å; F67-Y86 VanDerWaalsContact CD1-CG 3.43Å; F67-Y86 AromaticContact CD1-CZ 3.91Å; F67-Y86 VanDerWaalsContact CE1-CB 3.47Å; F67-Y86 AromaticContact CE1-CD1 3.65Å; F67-Y86 HydrophobicContact CE1-CD1 3.65Å; F67-Y86 AromaticContact CE1-CD2 3.79Å; F67-Y86 HydrophobicContact CE1-CD2 3.79Å; F67-Y86 HydrophobicContact CE1-CE1 4.3Å; F67-Y86 HydrophobicContact CE1-CE2 4.4Å; F67-Y86 AromaticContact CE1-CG 3.36Å; F67-Y86 HydrophobicContact CE1-CG 3.36Å; F67-Y86 AromaticContact CG-CD2 3.88Å; F67-Y86 HydrophobicContact CG-CD2 3.88Å; F67-Y86 HydrophobicContact CG-CE2 4.1Å; F67-Y86 HydrophobicContact CG-CG 4.32Å; F67-Y86 HydrophobicContact CZ-CG 4.21Å; F82-Y86 AromaticContact CD2-CZ 3.85Å; F82-Y86 WeakPolarHBondContact CD2-OH 3.22Å; F82-Y86 WeakPolarHBondContact CE2-OH 3.3Å
87	K	92	Very high	93.1	Very high	190 Å²	190	101.8 Å²	101.8	83%	0.826	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-67.6	140.5	168.2	-66.2	-175	179	-178.5	0	110.3
88	T	93	Very high	93.1	Very high	52 Å²	52	99.5 Å²	99.5	32%	0.319	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-55.2	125.6	173.4	-54.3	0	0	0	0	109.1	L23 F33	L23-T88 HydrophobicContact CG-CG2 4.41Å; F33-T88 PolarHBondContact N-OG1 3.45Å; F33-T88 VanDerWaalsContact N-OG1 3.1Å
89	P	94.5	Very high	93.2	Very high	35 Å²	35	100.2 Å²	100.2	23%	0.227	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-60.5	152	176.1	-22.6	34.6	0	0	0	110.6	V20 S24 P66 F67	V20-P89 HydrophobicContact CG2-CB 4.26Å; V20-P89 HydrophobicContact CG2-CG 3.98Å; S24-P89 VanDerWaalsContact CB-O 3.23Å; S24-P89 WeakPolarHBondContact CB-O 3.28Å; P66-P89 HydrophobicContact CG-CG 4.21Å; F67-P89 HydrophobicContact CE2-CG 3.74Å; F67-P89 HydrophobicContact CZ-CG 3.71Å
90	N	96.1	Very high	93.3	Very high	141 Å²	141	104.3 Å²	104.3	75%	0.754	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-64	144.9	169	-64.1	-37.6	0	0	0	109.7	E92	N90-E92 PolarHBondContact O-N 2.85Å
91	C	97.5	Very high	93.5	Very high	49 Å²	49	102.8 Å²	102.8	33%	0.331	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-63	116.7	168.6	178	0	0	0	0	109.6	S24 C25	S24-C91 WeakPolarHBondContact O-CB 3.22Å; C25-C91 VanDerWaalsContact CA-SG 3.57Å; C25-C91 HydrophobicContact CB-CB 3.92Å; C25-C91 WeakPolarHBondContact CB-SG 3.4Å; C25-C91 VanDerWaalsContact SG-CA 3.55Å; C25-C91 WeakPolarHBondContact SG-CB 3.42Å; C25-C91 CovalentContact SG-SG 2.04Å; C25-C91 PolarHBondContact SG-SG 2.79Å
92	E	97	Very high	93.8	Very high	118 Å²	118	104.1 Å²	104.1	55%	0.551	52%	0.518	S	S	*	.			trans	-107	116.5	172.2	-67.4	-169.6	-180	0	0	109.4	Q63 N90 T94	Q63-E92 PolarHBondContact NE2-O 2.85Å; N90-E92 PolarHBondContact O-N 2.85Å; E92-T94 PolarHBondContact O-N 2.95Å
93	N	97.8	Very high	94.4	Very high	104 Å²	104	98.3 Å²	98.3	56%	0.556	49%	0.492	S	S	*	.			trans	-83	38.8	175.5	-59.7	76.8	0	0	0	111.8	Y103	N93-Y103 VanDerWaalsContact C-CG 3.43Å; N93-Y103 HydrophobicContact CB-CD1 4.01Å; N93-Y103 HydrophobicContact CB-CE1 3.94Å; N93-Y103 VanDerWaalsContact O-CB 3.29Å; N93-Y103 WeakPolarHBondContact O-CB 3.49Å
94	T	98.2	Very high	95.3	Very high	84 Å²	84	92.3 Å²	92.3	52%	0.515	48%	0.477	S	S	.	.			trans	-137.5	139	-176.6	51.2	0	0	0	0	111.4	Q63 E92	Q63-T94 PolarHBondContact NE2-O 3.33Å; Q63-T94 VanDerWaalsContact NE2-O 3.11Å; E92-T94 PolarHBondContact O-N 2.95Å
95	C	98.5	Very high	96	Very high	25 Å²	25	91.5 Å²	91.5	17%	0.169	47%	0.473	C	S	.	.			trans	-80.6	159.3	170	-57.4	0	0	0	0	111.1	C62 Y99 T101 Y103	C62-C95 HydrophobicContact CB-CB 3.86Å; C62-C95 WeakPolarHBondContact CB-SG 3.15Å; C62-C95 CarbonylContact O-C 3.51Å; C62-C95 VanDerWaalsContact O-CA 3.29Å; C62-C95 WeakPolarHBondContact O-CA 3.39Å; C62-C95 WeakPolarHBondContact SG-CA 3.49Å; C62-C95 WeakPolarHBondContact SG-CB 3.37Å; C62-C95 CovalentContact SG-SG 2.03Å; C62-C95 PolarHBondContact SG-SG 3.11Å; C95-Y99 HydrophobicContact CB-CD1 4.01Å; C95-T101 PolarHBondContact SG-O 3.2Å; C95-T101 VanDerWaalsContact SG-O 3.33Å; C95-Y103 VanDerWaalsContact SG-CA 3.52Å
96	Q	97.8	Very high	96.7	Very high	33 Å²	33	86.9 Å²	86.9	15%	0.154	45%	0.45	C	S	.	.			trans	-57.7	146.8	170.7	60.6	167.7	-33.7	0	0	111.8	H59 S61 C62 P64 S98 Y99	H59-Q96 PolarHBondContact CD2-OE1 2.9Å; H59-Q96 PolarHBondContact NE2-OE1 2.71Å; H59-Q96 VanDerWaalsContact NE2-OE1 3.15Å; H59-Q96 PolarHBondContact O-NE2 3.07Å; S61-Q96 WeakPolarHBondContact O-CG 3.41Å; S61-Q96 PolarHBondContact O-NE2 2.75Å; C62-Q96 PolarHBondContact O-N 3.34Å; P64-Q96 VanDerWaalsContact CG-NE2 3.34Å; Q96-S98 WeakPolarHBondContact CG-OG 3.48Å; Q96-S98 PolarHBondContact O-N 2.91Å; Q96-S98 VanDerWaalsContact O-N 3.08Å; Q96-S98 PolarHBondContact OE1-OG 2.81Å; Q96-Y99 WeakPolarHBondContact O-CB 3.44Å; Q96-Y99 PolarHBondContact O-N 3.48Å
97	K	96.9	Very high	97.2	Very high	205 Å²	205	84 Å²	84	89%	0.891	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.4	-172	-64.7	179.2	179.9	176.1	0	114.7	Y99	K97-Y99 VanDerWaalsContact C-N 3.28Å
98	S	96.9	Very high	97.5	Very high	79 Å²	79	76.7 Å²	76.7	55%	0.552	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.9	178.9	53.9	0	0	0	0	112	Q96	Q96-S98 WeakPolarHBondContact CG-OG 3.48Å; Q96-S98 PolarHBondContact O-N 2.91Å; Q96-S98 VanDerWaalsContact O-N 3.08Å; Q96-S98 PolarHBondContact OE1-OG 2.81Å
99	Y	98.1	Very high	97.8	Very high	71 Å²	71	80 Å²	80	28%	0.278	42%	0.415	S	S	.	.			trans	-88.4	131.9	-176.6	-163.8	-114	0	0	0	111.4	C62 C95 Q96 K97 D106	C62-Y99 HydrophobicContact CB-CD1 3.82Å; C62-Y99 HydrophobicContact CB-CE1 3.77Å; C95-Y99 HydrophobicContact CB-CD1 4.01Å; Q96-Y99 WeakPolarHBondContact O-CB 3.44Å; Q96-Y99 PolarHBondContact O-N 3.48Å; K97-Y99 VanDerWaalsContact C-N 3.28Å; Y99-D106 HydrophobicContact CE1-CB 4.41Å; Y99-D106 VanDerWaalsContact CE1-OD1 3.27Å; Y99-D106 WeakPolarHBondContact CE1-OD1 3.39Å; Y99-D106 PolarHBondContact OH-OD1 2.98Å
100	K	97.7	Very high	98	Very high	178 Å²	178	78.8 Å²	78.8	77%	0.774	41%	0.408	S	S	*	.			trans	-93.9	-22.6	-168.2	-58.2	-56	176.3	-166.5	0	114.5	P102	K100-P102 WeakPolarHBondContact O-CD 3.01Å
101	T	98.3	Very high	98.1	Very high	50 Å²	50	77 Å²	77	31%	0.307	39%	0.393	S	S	.	.	S	Bend	trans	-73.7	126.1	177.7	-49.8	0	0	0	0	109.2	C95 Q105 D106	C95-T101 PolarHBondContact SG-O 3.2Å; C95-T101 VanDerWaalsContact SG-O 3.33Å; T101-Q105 HydrophobicContact CG2-CB 3.93Å; T101-D106 HydrophobicContact CG2-CB 3.96Å
102	P	98.3	Very high	98.1	Very high	67 Å²	67	76.7 Å²	76.7	44%	0.435	39%	0.392	S	S	.	.			trans	-60.8	145	173.9	-23.4	34.2	0	0	0	112	K100 A104 Q105 D106	K100-P102 WeakPolarHBondContact O-CD 3.01Å; P102-A104 VanDerWaalsContact C-N 3.31Å; P102-A104 PolarHBondContact O-N 3.39Å; P102-A104 VanDerWaalsContact O-N 3.16Å; P102-Q105 HydrophobicContact CB-CG 4.4Å; P102-Q105 WeakPolarHBondContact O-CA 3.39Å; P102-Q105 WeakPolarHBondContact O-CB 3.38Å; P102-Q105 PolarHBondContact O-N 3.14Å; P102-D106 PolarHBondContact O-N 3.37Å; P102-D106 VanDerWaalsContact O-N 3.16Å
103	Y	98.7	Very high	98.1	Very high	22 Å²	22	76.2 Å²	76.2	9%	0.086	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-46.5	-49.6	-177.9	174.4	-89.9	0	0	0	113.6	D21 V51 N93 C95 Q105 D106 K107	D21-Y103 WeakPolarHBondContact OD1-CE2 3.46Å; D21-Y103 PolarHBondContact OD1-OH 3.44Å; V51-Y103 HydrophobicContact CG1-CD2 3.67Å; V51-Y103 HydrophobicContact CG1-CE2 3.63Å; V51-Y103 HydrophobicContact CG1-CG 4.2Å; V51-Y103 WeakPolarHBondContact CG1-O 3.28Å; V51-Y103 HydrophobicContact CG2-CD2 4.41Å; V51-Y103 HydrophobicContact CG2-CE2 4.16Å; N93-Y103 VanDerWaalsContact C-CG 3.43Å; N93-Y103 HydrophobicContact CB-CD1 4.01Å; N93-Y103 HydrophobicContact CB-CE1 3.94Å; N93-Y103 VanDerWaalsContact O-CB 3.29Å; N93-Y103 WeakPolarHBondContact O-CB 3.49Å; C95-Y103 VanDerWaalsContact SG-CA 3.52Å; Y103-Q105 PolarHBondContact O-N 3.19Å; Y103-D106 PolarHBondContact O-N 3.22Å; Y103-K107 VanDerWaalsContact CE1-CE 3.48Å; Y103-K107 WeakPolarHBondContact OH-CE 3.3Å; Y103-K107 PolarHBondContact OH-NZ 2.99Å
104	A	98.3	Very high	98.1	Very high	76 Å²	76	74.1 Å²	74.1	63%	0.628	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-64.7	-27	-178.6	0	0	0	0	0	113.8	P102	P102-A104 VanDerWaalsContact C-N 3.31Å; P102-A104 PolarHBondContact O-N 3.39Å; P102-A104 VanDerWaalsContact O-N 3.16Å
105	Q	98.3	Very high	98.1	Very high	151 Å²	151	75.2 Å²	75.2	71%	0.706	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-86.1	-18.1	179	-64.1	-179.9	12.8	0	0	112.7	T101 P102 Y103 K107	T101-Q105 HydrophobicContact CG2-CB 3.93Å; P102-Q105 HydrophobicContact CB-CG 4.4Å; P102-Q105 WeakPolarHBondContact O-CA 3.39Å; P102-Q105 WeakPolarHBondContact O-CB 3.38Å; P102-Q105 PolarHBondContact O-N 3.14Å; Y103-Q105 PolarHBondContact O-N 3.19Å; Q105-K107 VanDerWaalsContact C-N 3.34Å
106	D	98.7	Very high	98.1	Very high	9 Å²	9	74.7 Å²	74.7	5%	0.048	37%	0.368	C	S	.	.	S	Bend	trans	-89	-0.7	179.1	-159	72.9	0	0	0	112.9	V51 T52 C62 Y99 T101 P102 Y103 H108	V51-D106 WeakPolarHBondContact CA-O 3.32Å; V51-D106 HydrophobicContact CB-CB 4.29Å; V51-D106 HydrophobicContact CG1-CB 4.23Å; T52-D106 WeakPolarHBondContact CB-OD2 3.21Å; T52-D106 WeakPolarHBondContact CG2-OD2 3.35Å; T52-D106 PolarHBondContact N-OD2 2.99Å; T52-D106 PolarHBondContact OG1-OD1 3.22Å; T52-D106 PolarHBondContact OG1-OD2 3.17Å; C62-D106 HydrophobicContact CB-CB 4.37Å; C62-D106 WeakPolarHBondContact CB-OD2 3.29Å; Y99-D106 HydrophobicContact CE1-CB 4.41Å; Y99-D106 VanDerWaalsContact CE1-OD1 3.27Å; Y99-D106 WeakPolarHBondContact CE1-OD1 3.39Å; Y99-D106 PolarHBondContact OH-OD1 2.98Å; T101-D106 HydrophobicContact CG2-CB 3.96Å; P102-D106 PolarHBondContact O-N 3.37Å; P102-D106 VanDerWaalsContact O-N 3.16Å; Y103-D106 PolarHBondContact O-N 3.22Å; D106-H108 PolarHBondContact O-CD2 2.83Å; D106-H108 PolarHBondContact O-N 2.83Å
107	K	98.6	Very high	98.1	Very high	25 Å²	25	80.2 Å²	80.2	11%	0.109	39%	0.392	C	S	.	.			trans	-69.9	117	-179.7	-75.9	-74.4	-172.4	179.2	0	112	D21 Y44 G49 V51 Y103 Q105	D21-K107 VanDerWaalsContact CG-NZ 3.31Å; D21-K107 IonicContact OD1-NZ 3.27Å; D21-K107 PolarHBondContact OD1-NZ 3.18Å; D21-K107 VanDerWaalsContact OD1-NZ 3.11Å; D21-K107 IonicContact OD2-NZ 3.11Å; D21-K107 PolarHBondContact OD2-NZ 2.98Å; Y44-K107 PolarHBondContact OH-NZ 2.81Å; G49-K107 VanDerWaalsContact C-CD 3.46Å; G49-K107 VanDerWaalsContact O-CD 3.26Å; G49-K107 WeakPolarHBondContact O-CD 3.25Å; G49-K107 PolarHBondContact O-NZ 3.02Å; V51-K107 HydrophobicContact CG1-CD 3.71Å; V51-K107 HydrophobicContact CG1-CG 3.96Å; Y103-K107 VanDerWaalsContact CE1-CE 3.48Å; Y103-K107 WeakPolarHBondContact OH-CE 3.3Å; Y103-K107 PolarHBondContact OH-NZ 2.99Å; Q105-K107 VanDerWaalsContact C-N 3.34Å
108	H	98.7	Very high	98.1	Very high	37 Å²	37	73.7 Å²	73.7	17%	0.171	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-95.4	121	170.9	-67.3	-93.2	0	0	0	110.6	Q13 L17 W45 G49 I50 D106	Q13-H108 PolarHBondContact OE1-ND1 3.09Å; L17-H108 HydrophobicContact CD2-CB 3.69Å; W45-H108 VanDerWaalsContact CD1-O 3.28Å; W45-H108 PolarHBondContact NE1-O 2.81Å; G49-H108 VanDerWaalsContact CA-O 3.24Å; G49-H108 WeakPolarHBondContact CA-O 3.36Å; I50-H108 PolarHBondContact N-O 3.4Å; I50-H108 PolarHBondContact O-N 2.89Å; D106-H108 PolarHBondContact O-CD2 2.83Å; D106-H108 PolarHBondContact O-N 2.83Å
109	R	98.6	Very high	98.2	Very high	122 Å²	122	73 Å²	73	46%	0.46	36%	0.357	S	S	.	.			trans	-106.8	143.1	-176.8	-72.3	179.1	-179.3	78.7	2.5	112.8	W45 E48	W45-R109 WeakPolarHBondContact O-CA 3.33Å; E48-R109 PolarHBondContact O-NE 3.03Å; E48-R109 PolarHBondContact O-NH2 3.43Å
110	G	98.3	Very high	98.2	Very high	8 Å²	8	72.5 Å²	72.5	8%	0.082	36%	0.357	C	S	.	.			trans	-74.7	162.3	159.8	0	0	0	0	0	111	W45	W45-G110 VanDerWaalsContact CH2-CA 3.48Å; W45-G110 VanDerWaalsContact CZ2-CA 3.47Å; W45-G110 PolarHBondContact O-N 2.79Å
111	K	98.3	Very high	98.3	Very high	105 Å²	105	70.8 Å²	70.8	46%	0.457	35%	0.349	S	S	.	.	S	Bend	trans	-99.1	-33.7	170	-176.4	172.9	-179.5	178.1	0	111.9	R213 I214 E216	K111-R213 WeakPolarHBondContact CA-O 3.08Å; K111-R213 WeakPolarHBondContact CB-O 3.23Å; K111-R213 PolarHBondContact N-O 3.17Å; K111-I214 WeakPolarHBondContact CB-O 3.49Å; K111-E216 VanDerWaalsContact NZ-CG 3.32Å; K111-E216 IonicContact NZ-OE1 3.34Å; K111-E216 PolarHBondContact NZ-OE1 2.8Å
112	S	98.1	Very high	98.3	Very high	42 Å²	42	69.6 Å²	69.6	29%	0.294	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.1	-179	60.3	0	0	0	0	111.6	G212 R213	S112-G212 CarbonylContact O-C 3.56Å; S112-G212 WeakPolarHBondContact O-CA 3.47Å; S112-R213 PolarHBondContact N-O 2.95Å; S112-R213 PolarHBondContact O-N 2.68Å
113	R	97.2	Very high	98.3	Very high	108 Å²	108	66.4 Å²	66.4	41%	0.408	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.5	167.6	68.5	76.3	162.1	163.8	-2	110.1	W42 D43 V46 A211	W42-R113 HydrophobicContact CB-CB 3.68Å; W42-R113 HydrophobicContact CB-CG 4.31Å; D43-R113 VanDerWaalsContact CG-NE 3.26Å; D43-R113 VanDerWaalsContact OD1-CG 3.29Å; D43-R113 WeakPolarHBondContact OD1-CG 3.41Å; D43-R113 IonicContact OD1-CZ 3.46Å; D43-R113 IonicContact OD1-NE 3.43Å; D43-R113 PolarHBondContact OD1-NE 2.73Å; D43-R113 IonicContact OD1-NH2 2.71Å; D43-R113 PolarHBondContact OD1-NH2 3.29Å; D43-R113 IonicContact OD2-CZ 3.58Å; D43-R113 IonicContact OD2-NE 2.79Å; D43-R113 PolarHBondContact OD2-NE 3.21Å; D43-R113 IonicContact OD2-NH2 3.61Å; D43-R113 PolarHBondContact OD2-NH2 2.64Å; V46-R113 HydrophobicContact CG2-CB 4.22Å; R113-A211 CarbonylContact C-O 3.6Å; R113-A211 WeakPolarHBondContact CA-O 3.29Å
114	Y	98.2	Very high	98.3	Very high	59 Å²	59	67 Å²	67	23%	0.231	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	156	177.8	46	-93.5	0	0	0	110.8	R4 E126 A211 R213	R4-Y114 PolarHBondContact NH1-OH 2.97Å; Y114-E126 PolarHBondContact OH-OE1 2.93Å; Y114-A211 HydrophobicContact CD2-CB 4.44Å; Y114-A211 HydrophobicContact CE2-CB 3.9Å; Y114-A211 PolarHBondContact N-O 3.11Å; Y114-A211 PolarHBondContact O-N 2.98Å; Y114-A211 VanDerWaalsContact O-O 3.1Å; Y114-R213 HydrophobicContact CE1-CG 3.85Å; Y114-R213 WeakPolarHBondContact OH-CD 3.46Å; Y114-R213 VanDerWaalsContact OH-CG 3.25Å; Y114-R213 WeakPolarHBondContact OH-CG 3.49Å
115	N	98.1	Very high	98.3	Very high	107 Å²	107	70.3 Å²	70.3	57%	0.572	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.4	168.6	-62.1	-7.7	0	0	0	108.5	V209	N115-V209 CarbonylContact C-O 3.56Å; N115-V209 WeakPolarHBondContact CA-O 3.49Å
116	V	98.2	Very high	98.4	Very high	14 Å²	14	64.1 Å²	64.1	9%	0.085	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.3	171	-172.7	0	0	0	0	107.5	N118 A122 I123 E126 V209 A211	V116-N118 PolarHBondContact O-N 2.91Å; V116-A122 HydrophobicContact CG1-CB 4.44Å; V116-I123 HydrophobicContact CG1-CG1 3.95Å; V116-E126 HydrophobicContact CG1-CB 4.11Å; V116-E126 HydrophobicContact CG1-CG 4.46Å; V116-E126 HydrophobicContact CG2-CB 4.32Å; V116-E126 HydrophobicContact CG2-CG 3.76Å; V116-V209 HydrophobicContact CB-CB 3.96Å; V116-V209 HydrophobicContact CB-CG1 3.79Å; V116-V209 HydrophobicContact CG2-CB 4.38Å; V116-V209 HydrophobicContact CG2-CG1 3.74Å; V116-V209 PolarHBondContact N-O 3.01Å; V116-A211 HydrophobicContact CG2-CB 4.09Å
117	K	97.8	Very high	98.4	Very high	150 Å²	150	64.2 Å²	64.2	65%	0.652	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-57	137.1	177	-175.4	-178	178	-172.3	0	109.5	D119 A122	K117-D119 HydrophobicContact CD-CB 4.06Å; K117-D119 HydrophobicContact CG-CB 4.05Å; K117-D119 PolarHBondContact O-N 3.02Å; K117-A122 HydrophobicContact CB-CB 4.02Å
118	N	97.3	Very high	98.4	Very high	68 Å²	68	70.1 Å²	70.1	36%	0.364	33%	0.329	S	S	.	.	S	Bend	trans	-67.5	74.2	170.4	-174.7	8.4	0	0	0	110.6	V116 H201 E206	V116-N118 PolarHBondContact O-N 2.91Å; N118-H201 PolarHBondContact OD1-CE1 3.09Å; N118-H201 PolarHBondContact OD1-ND1 2.68Å; N118-E206 WeakPolarHBondContact CA-O 3.29Å; N118-E206 VanDerWaalsContact CG-O 3.28Å; N118-E206 VanDerWaalsContact OD1-C 3.24Å; N118-E206 WeakPolarHBondContact OD1-CB 3.33Å; N118-E206 PolarHBondContact OD1-O 3.24Å
119	D	98.4	Very high	98.3	Very high	64 Å²	64	75 Å²	75	34%	0.342	35%	0.35	S	S	.	.			trans	-153.4	124.9	-178	172.5	-97.3	0	0	0	107.7	K117 K121 A122 I123	K117-D119 HydrophobicContact CD-CB 4.06Å; K117-D119 HydrophobicContact CG-CB 4.05Å; K117-D119 PolarHBondContact O-N 3.02Å; D119-K121 VanDerWaalsContact C-N 3.27Å; D119-K121 PolarHBondContact O-N 3.46Å; D119-K121 WeakPolarHBondContact OD1-CB 3.29Å; D119-K121 PolarHBondContact OD1-N 3.1Å; D119-A122 HydrophobicContact CB-CB 3.85Å; D119-A122 WeakPolarHBondContact O-CB 3.18Å; D119-A122 PolarHBondContact O-N 3.48Å; D119-A122 PolarHBondContact OD1-N 3.32Å; D119-I123 WeakPolarHBondContact O-CG1 3.13Å; D119-I123 PolarHBondContact O-N 2.86Å
120	E	98.5	Very high	98.3	Very high	60 Å²	60	71.3 Å²	71.3	28%	0.28	34%	0.336	S	S	.	.	H	α-helix	trans	-51.8	-46	-176.7	-177.5	-170.6	173.1	0	0	112.2	I123 Q124 W178 R198	E120-I123 PolarHBondContact O-N 2.63Å; E120-Q124 VanDerWaalsContact O-CG 3.31Å; E120-Q124 WeakPolarHBondContact O-CG 3.14Å; E120-Q124 PolarHBondContact O-N 2.93Å; E120-W178 HydrophobicContact CG-CH2 4.42Å; E120-W178 HydrophobicContact CG-CZ2 4.13Å; E120-R198 HydrophobicContact CG-CG 3.88Å; E120-R198 IonicContact OE1-CZ 3.62Å; E120-R198 IonicContact OE1-NH1 2.57Å; E120-R198 PolarHBondContact OE1-NH1 2.64Å
121	K	98.6	Very high	98.3	Very high	142 Å²	142	71.2 Å²	71.2	62%	0.617	34%	0.335	S	S	*	.	H	α-helix	trans	-70	-34.7	-179	-69.7	179.7	178.8	173.3	0	111.9	D119 K125	D119-K121 VanDerWaalsContact C-N 3.27Å; D119-K121 PolarHBondContact O-N 3.46Å; D119-K121 WeakPolarHBondContact OD1-CB 3.29Å; D119-K121 PolarHBondContact OD1-N 3.1Å; K121-K125 WeakPolarHBondContact O-CB 3.01Å; K121-K125 VanDerWaalsContact O-CG 3.23Å; K121-K125 WeakPolarHBondContact O-CG 3.42Å; K121-K125 PolarHBondContact O-N 3.17Å
122	A	98.7	Very high	98.4	Very high	25 Å²	25	67.2 Å²	67.2	21%	0.207	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-45.2	174.9	0	0	0	0	0	111	V116 K117 D119 K125 E126	V116-A122 HydrophobicContact CG1-CB 4.44Å; K117-A122 HydrophobicContact CB-CB 4.02Å; D119-A122 HydrophobicContact CB-CB 3.85Å; D119-A122 WeakPolarHBondContact O-CB 3.18Å; D119-A122 PolarHBondContact O-N 3.48Å; D119-A122 PolarHBondContact OD1-N 3.32Å; A122-K125 PolarHBondContact O-N 2.98Å; A122-E126 WeakPolarHBondContact O-CB 3.33Å; A122-E126 PolarHBondContact O-N 2.84Å
123	I	98.9	Very high	98.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-45.5	177	-62.2	161.9	0	0	0	110.6	V116 D119 E120 K125 E126 I127 W178 E206 V209	V116-I123 HydrophobicContact CG1-CG1 3.95Å; D119-I123 WeakPolarHBondContact O-CG1 3.13Å; D119-I123 PolarHBondContact O-N 2.86Å; E120-I123 PolarHBondContact O-N 2.63Å; I123-K125 PolarHBondContact O-N 3.31Å; I123-E126 PolarHBondContact O-N 2.81Å; I123-I127 HydrophobicContact CG2-CD1 3.81Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.45Å; I123-W178 HydrophobicContact CB-CH2 3.81Å; I123-W178 HydrophobicContact CB-CZ2 4.21Å; I123-W178 HydrophobicContact CD1-CZ2 4.43Å; I123-W178 HydrophobicContact CG2-CH2 3.51Å; I123-W178 HydrophobicContact CG2-CZ2 3.98Å; I123-W178 HydrophobicContact CG2-CZ3 3.93Å; I123-E206 HydrophobicContact CD1-CB 3.82Å; I123-E206 HydrophobicContact CD1-CG 3.75Å; I123-V209 HydrophobicContact CD1-CG2 3.78Å; I123-V209 HydrophobicContact CG1-CB 4.49Å; I123-V209 HydrophobicContact CG1-CG2 4.07Å
124	Q	98.9	Very high	98.5	Very high	36 Å²	36	62.4 Å²	62.4	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-47.7	175.1	-72.5	177	-36.6	0	0	112.3	E120 E126 I127 M128 W169 W178	E120-Q124 VanDerWaalsContact O-CG 3.31Å; E120-Q124 WeakPolarHBondContact O-CG 3.14Å; E120-Q124 PolarHBondContact O-N 2.93Å; Q124-E126 VanDerWaalsContact C-N 3.33Å; Q124-E126 PolarHBondContact O-N 3.2Å; Q124-I127 PolarHBondContact O-N 3.25Å; Q124-M128 WeakPolarHBondContact O-CB 3.16Å; Q124-M128 PolarHBondContact O-N 3.34Å; Q124-W169 HydrophobicContact CB-CD2 4.4Å; Q124-W169 HydrophobicContact CB-CE3 4.37Å; Q124-W169 HydrophobicContact CB-CH2 3.94Å; Q124-W169 HydrophobicContact CB-CZ2 3.92Å; Q124-W169 HydrophobicContact CB-CZ3 4.17Å; Q124-W169 HydrophobicContact CG-CD2 3.73Å; Q124-W169 HydrophobicContact CG-CE3 3.98Å; Q124-W169 HydrophobicContact CG-CG 4.23Å; Q124-W169 HydrophobicContact CG-CH2 4.32Å; Q124-W169 HydrophobicContact CG-CZ2 4.06Å; Q124-W169 HydrophobicContact CG-CZ3 4.28Å; Q124-W169 VanDerWaalsContact O-CH2 3.28Å; Q124-W169 WeakPolarHBondContact O-CH2 3.49Å; Q124-W178 HydrophobicContact CG-CH2 3.69Å; Q124-W178 HydrophobicContact CG-CZ3 3.9Å
125	K	98.7	Very high	98.5	Very high	144 Å²	144	59.7 Å²	59.7	63%	0.626	29%	0.287	S	S	*	.	H	α-helix	trans	-61.4	-42	178.6	-77.7	175.2	-179.8	-179	0	111.9	K121 A122 I123 K129	K121-K125 WeakPolarHBondContact O-CB 3.01Å; K121-K125 VanDerWaalsContact O-CG 3.23Å; K121-K125 WeakPolarHBondContact O-CG 3.42Å; K121-K125 PolarHBondContact O-N 3.17Å; A122-K125 PolarHBondContact O-N 2.98Å; I123-K125 PolarHBondContact O-N 3.31Å; K125-K129 VanDerWaalsContact O-CB 3.27Å; K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 2.98Å; K125-K129 VanDerWaalsContact O-N 3.09Å
126	E	98.7	Very high	98.4	Very high	22 Å²	22	55.5 Å²	55.5	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-50.5	177.9	179	62.5	-155.3	0	0	110.9	R4 Y114 V116 A122 I123 Q124 K129 Y130 V133 A211	R4-E126 IonicContact CZ-OE1 3.2Å; R4-E126 VanDerWaalsContact CZ-OE1 3.27Å; R4-E126 IonicContact NH1-OE1 3.82Å; R4-E126 PolarHBondContact NH1-OE1 2.72Å; R4-E126 IonicContact NH2-OE1 3.4Å; R4-E126 PolarHBondContact NH2-OE1 3.5Å; Y114-E126 PolarHBondContact OH-OE1 2.93Å; V116-E126 HydrophobicContact CG1-CB 4.11Å; V116-E126 HydrophobicContact CG1-CG 4.46Å; V116-E126 HydrophobicContact CG2-CB 4.32Å; V116-E126 HydrophobicContact CG2-CG 3.76Å; A122-E126 WeakPolarHBondContact O-CB 3.33Å; A122-E126 PolarHBondContact O-N 2.84Å; I123-E126 PolarHBondContact O-N 2.81Å; Q124-E126 VanDerWaalsContact C-N 3.33Å; Q124-E126 PolarHBondContact O-N 3.2Å; E126-K129 PolarHBondContact O-N 3.11Å; E126-Y130 PolarHBondContact O-N 3.4Å; E126-Y130 WeakPolarHBondContact OE2-CD2 3.37Å; E126-V133 HydrophobicContact CB-CG1 4.47Å; E126-V133 HydrophobicContact CG-CG1 3.6Å; E126-A211 HydrophobicContact CG-CB 4.44Å
127	I	98.8	Very high	98.4	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-47.2	-179.7	-65.9	164.8	0	0	0	110.8	I123 Q124 K129 G131 V133 I166 W169 W178	I123-I127 HydrophobicContact CG2-CD1 3.81Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.45Å; Q124-I127 PolarHBondContact O-N 3.25Å; I127-K129 VanDerWaalsContact C-N 3.27Å; I127-K129 PolarHBondContact O-N 3.01Å; I127-G131 WeakPolarHBondContact CA-O 3.15Å; I127-G131 VanDerWaalsContact O-CA 3.25Å; I127-G131 WeakPolarHBondContact O-CA 3.33Å; I127-G131 PolarHBondContact O-N 3.33Å; I127-V133 HydrophobicContact CD1-CG2 3.9Å; I127-V133 HydrophobicContact CG1-CB 4.45Å; I127-V133 HydrophobicContact CG1-CG1 3.91Å; I127-V133 HydrophobicContact CG1-CG2 3.8Å; I127-I166 HydrophobicContact CD1-CB 4.02Å; I127-I166 HydrophobicContact CD1-CG2 3.6Å; I127-W169 HydrophobicContact CB-CZ3 3.86Å; I127-W169 HydrophobicContact CD1-CZ3 4.46Å; I127-W169 HydrophobicContact CG2-CZ3 3.8Å; I127-W178 HydrophobicContact CD1-CZ3 4.17Å
128	M	98.5	Very high	98.5	Very high	148 Å²	148	48.6 Å²	48.6	73%	0.729	23%	0.234	S	C	*	.	H	α-helix	trans	-59.3	-39.5	-178.6	-163.4	175.5	63.4	0	0	112.4	Q124 W169	Q124-M128 WeakPolarHBondContact O-CB 3.16Å; Q124-M128 PolarHBondContact O-N 3.34Å; M128-W169 HydrophobicContact CB-CH2 4.04Å
129	K	98.2	Very high	98.5	Very high	141 Å²	141	45.4 Å²	45.4	61%	0.613	22%	0.218	S	C	*	.	H	α-helix	trans	-89.9	-40	-171.7	-171.2	175.4	179.2	-165.9	0	112.9	K125 E126 I127	K125-K129 VanDerWaalsContact O-CB 3.27Å; K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 2.98Å; K125-K129 VanDerWaalsContact O-N 3.09Å; E126-K129 PolarHBondContact O-N 3.11Å; I127-K129 VanDerWaalsContact C-N 3.27Å; I127-K129 PolarHBondContact O-N 3.01Å
130	Y	98.5	Very high	98.5	Very high	43 Å²	43	44.7 Å²	44.7	17%	0.169	21%	0.21	C	C	.	.	H	α-helix	trans	-119.3	-3.4	-168.5	-60.8	-63.4	0	0	0	114.2	R4 Q8 E126 R213	R4-Y130 WeakPolarHBondContact CG-O 3.3Å; Q8-Y130 PolarHBondContact NE2-O 3.24Å; Q8-Y130 VanDerWaalsContact NE2-O 3.14Å; E126-Y130 PolarHBondContact O-N 3.4Å; E126-Y130 WeakPolarHBondContact OE2-CD2 3.37Å; Y130-R213 VanDerWaalsContact CE1-CZ 3.5Å
131	G	98.6	Very high	98.5	Very high	7 Å²	7	46.3 Å²	46.3	7%	0.072	22%	0.218	C	C	.	.			trans	93.7	-176.3	178.3	0	0	0	0	0	113.8	R4 I127	R4-G131 PolarHBondContact NH2-O 2.89Å; I127-G131 WeakPolarHBondContact CA-O 3.15Å; I127-G131 VanDerWaalsContact O-CA 3.25Å; I127-G131 WeakPolarHBondContact O-CA 3.33Å; I127-G131 PolarHBondContact O-N 3.33Å
132	P	98.8	Very high	98.5	Very high	20 Å²	20	40.8 Å²	40.8	13%	0.13	20%	0.195	C	C	.	.			trans	-50.7	147.7	-174.4	-32.2	39.9	0	0	0	114.8	D3 R4 R165 I166 I167	D3-P132 HydrophobicContact CB-CG 4.11Å; D3-P132 WeakPolarHBondContact OD2-CG 3.38Å; R4-P132 PolarHBondContact NE-O 2.57Å; P132-R165 HydrophobicContact CB-CG 3.86Å; P132-I166 VanDerWaalsContact CA-O 3.27Å; P132-I166 WeakPolarHBondContact CA-O 3.34Å; P132-I166 WeakPolarHBondContact CB-O 3.4Å; P132-I167 HydrophobicContact CB-CG2 4Å; P132-I167 HydrophobicContact CG-CB 4.22Å; P132-I167 HydrophobicContact CG-CG2 3.88Å
133	V	98.8	Very high	98.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	158.4	179.9	-62	0	0	0	0	110.4	E126 I127 R165 I166 V209 A211	E126-V133 HydrophobicContact CB-CG1 4.47Å; E126-V133 HydrophobicContact CG-CG1 3.6Å; I127-V133 HydrophobicContact CD1-CG2 3.9Å; I127-V133 HydrophobicContact CG1-CB 4.45Å; I127-V133 HydrophobicContact CG1-CG1 3.91Å; I127-V133 HydrophobicContact CG1-CG2 3.8Å; V133-R165 CarbonylContact O-C 3.55Å; V133-R165 VanDerWaalsContact O-CA 3.3Å; V133-R165 WeakPolarHBondContact O-CA 3.04Å; V133-I166 HydrophobicContact CG2-CB 3.87Å; V133-I166 HydrophobicContact CG2-CD1 4.38Å; V133-I166 HydrophobicContact CG2-CG1 4.32Å; V133-I166 PolarHBondContact N-O 3.04Å; V133-I166 VanDerWaalsContact N-O 3.12Å; V133-I166 PolarHBondContact O-N 3.37Å; V133-V209 HydrophobicContact CB-CG1 3.76Å; V133-V209 HydrophobicContact CG1-CG1 4.32Å; V133-V209 HydrophobicContact CG2-CG1 3.54Å; V133-A211 HydrophobicContact CG1-CB 3.96Å
134	E	98.7	Very high	98.3	Very high	48 Å²	48	41 Å²	41	22%	0.224	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.8	169.1	-171.8	170.2	-149.9	0	0	109.3	P38 W42 I164 V209 T210	P38-E134 HydrophobicContact CB-CG 4.23Å; W42-E134 HydrophobicContact CZ2-CB 4.2Å; W42-E134 PolarHBondContact NE1-OE2 3.45Å; E134-I164 CarbonylContact C-O 3.4Å; E134-I164 VanDerWaalsContact CA-O 3.28Å; E134-I164 WeakPolarHBondContact CA-O 3.02Å; E134-I164 WeakPolarHBondContact CG-O 3.35Å; E134-V209 CarbonylContact O-C 3.6Å; E134-V209 WeakPolarHBondContact O-CA 3.46Å; E134-T210 PolarHBondContact N-O 3.32Å; E134-T210 PolarHBondContact O-N 2.72Å
135	A	98.3	Very high	98.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.7	176.2	0	0	0	0	0	111.4	A163 I164 I166 E208 V209	A135-A163 CarbonylContact O-C 3.6Å; A135-A163 WeakPolarHBondContact O-CA 3.32Å; A135-I164 HydrophobicContact CB-CD1 3.81Å; A135-I164 PolarHBondContact N-O 3.16Å; A135-I164 PolarHBondContact O-N 3.04Å; A135-I166 HydrophobicContact CB-CD1 3.71Å; A135-I166 HydrophobicContact CB-CG1 4.07Å; A135-E208 VanDerWaalsContact CA-O 3.3Å; A135-E208 WeakPolarHBondContact CA-O 3.36Å; A135-V209 HydrophobicContact CB-CG2 3.9Å
136	N	97.3	Very high	98.1	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.102	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	148.3	170.4	-68.5	-36.3	0	0	0	111.6	P38 W161 H162 A163 I205 E208	P38-N136 WeakPolarHBondContact CG-OD1 3.45Å; N136-W161 HydrophobicContact CB-CE3 3.97Å; N136-W161 HydrophobicContact CB-CZ3 4.2Å; N136-H162 WeakPolarHBondContact CA-O 3.45Å; N136-A163 WeakPolarHBondContact OD1-CA 3.49Å; N136-A163 WeakPolarHBondContact OD1-CB 3.33Å; N136-I205 WeakPolarHBondContact O-CA 3.46Å; N136-E208 HydrophobicContact CB-CB 4.09Å; N136-E208 PolarHBondContact N-O 2.87Å; N136-E208 PolarHBondContact ND2-OE2 3.08Å
137	F	98.1	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	163.2	166.3	78.8	-64.3	0	0	0	111.3	V139 F143 H162 I164 F194 I196 C203 I205	F137-V139 HydrophobicContact CE1-CG2 4.16Å; F137-V139 HydrophobicContact CE2-CG2 3.92Å; F137-V139 HydrophobicContact CZ-CG2 3.64Å; F137-F143 HydrophobicContact CE2-CD1 4.34Å; F137-F143 HydrophobicContact CE2-CD2 4.03Å; F137-F143 HydrophobicContact CE2-CE1 4.23Å; F137-F143 AromaticContact CE2-CE2 3.91Å; F137-F143 HydrophobicContact CE2-CE2 3.91Å; F137-F143 HydrophobicContact CE2-CG 4.23Å; F137-F143 HydrophobicContact CE2-CZ 4.01Å; F137-F143 HydrophobicContact CZ-CD1 4.12Å; F137-F143 HydrophobicContact CZ-CD2 4.36Å; F137-F143 AromaticContact CZ-CE1 3.65Å; F137-F143 HydrophobicContact CZ-CE1 3.65Å; F137-F143 AromaticContact CZ-CE2 3.9Å; F137-F143 HydrophobicContact CZ-CE2 3.9Å; F137-F143 HydrophobicContact CZ-CG 4.45Å; F137-F143 AromaticContact CZ-CZ 3.51Å; F137-F143 HydrophobicContact CZ-CZ 3.51Å; F137-H162 HydrophobicContact CD1-CB 4.34Å; F137-H162 WeakPolarHBondContact CD1-O 3.24Å; F137-H162 HydrophobicContact CE1-CB 3.83Å; F137-H162 AromaticContact CE1-CD2 3.76Å; F137-H162 HydrophobicContact CZ-CB 4.43Å; F137-H162 PolarHBondContact N-O 3.35Å; F137-H162 PolarHBondContact O-N 2.02Å; F137-I164 HydrophobicContact CD1-CG1 4.03Å; F137-I164 HydrophobicContact CD1-CG2 4.15Å; F137-I164 HydrophobicContact CE1-CG1 4.26Å; F137-I164 HydrophobicContact CE1-CG2 3.61Å; F137-F194 HydrophobicContact CE1-CZ 4.16Å; F137-F194 HydrophobicContact CZ-CE2 4.46Å; F137-F194 HydrophobicContact CZ-CZ 4.08Å; F137-I196 HydrophobicContact CD2-CD1 4.19Å; F137-C203 CarbonylContact C-O 3.59Å; F137-C203 VanDerWaalsContact CA-O 3.29Å; F137-C203 WeakPolarHBondContact CA-O 3.08Å; F137-C203 HydrophobicContact CB-CB 4.29Å; F137-C203 WeakPolarHBondContact CB-O 3.49Å; F137-C203 HydrophobicContact CD2-CB 4Å; F137-I205 HydrophobicContact CB-CB 4.12Å; F137-I205 HydrophobicContact CB-CD1 3.58Å; F137-I205 HydrophobicContact CB-CG1 4.45Å; F137-I205 HydrophobicContact CD1-CD1 4.12Å; F137-I205 HydrophobicContact CG-CD1 3.91Å
138	I	98.4	Very high	98	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.3	177.3	-57.8	172.3	0	0	0	108.6	Y140 L158 W161 C203	I138-Y140 HydrophobicContact CB-CE2 3.92Å; I138-Y140 HydrophobicContact CG2-CD2 4.08Å; I138-Y140 HydrophobicContact CG2-CE1 4.36Å; I138-Y140 HydrophobicContact CG2-CE2 3.53Å; I138-L158 HydrophobicContact CG2-CD1 3.65Å; I138-L158 HydrophobicContact CG2-CG 3.73Å; I138-W161 HydrophobicContact CD1-CH2 4.1Å; I138-W161 HydrophobicContact CD1-CZ2 3.96Å; I138-W161 HydrophobicContact CG1-CD2 4.06Å; I138-W161 HydrophobicContact CG1-CE3 4.03Å; I138-W161 HydrophobicContact CG1-CH2 3.79Å; I138-W161 HydrophobicContact CG1-CZ2 3.77Å; I138-W161 HydrophobicContact CG1-CZ3 3.91Å; I138-C203 HydrophobicContact CB-CB 4.4Å; I138-C203 PolarHBondContact N-O 3.26Å; I138-C203 WeakPolarHBondContact O-CB 3.46Å
139	V	98.2	Very high	98	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127	172.3	176.2	0	0	0	0	109	F137 F143 L144 V159 S160 H162	F137-V139 HydrophobicContact CE1-CG2 4.16Å; F137-V139 HydrophobicContact CE2-CG2 3.92Å; F137-V139 HydrophobicContact CZ-CG2 3.64Å; V139-F143 HydrophobicContact CG1-CB 4.18Å; V139-F143 HydrophobicContact CG1-CD1 3.92Å; V139-F143 HydrophobicContact CG1-CG 4.43Å; V139-F143 HydrophobicContact CG2-CD1 4.22Å; V139-L144 HydrophobicContact CG1-CD2 3.8Å; V139-L144 HydrophobicContact CG1-CG 4.47Å; V139-V159 HydrophobicContact CG1-CB 4.21Å; V139-V159 WeakPolarHBondContact O-CB 3.3Å; V139-V159 PolarHBondContact O-N 3.41Å; V139-S160 PolarHBondContact N-O 3.12Å; V139-S160 PolarHBondContact O-N 3.43Å; V139-H162 HydrophobicContact CG2-CB 3.4Å
140	Y	98.5	Very high	98	Very high	49 Å²	49	35 Å²	35	19%	0.192	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	162	170.1	-65.5	-92	0	0	0	110.4	I138 D142 F143 H153 K157 L158 C203	I138-Y140 HydrophobicContact CB-CE2 3.92Å; I138-Y140 HydrophobicContact CG2-CD2 4.08Å; I138-Y140 HydrophobicContact CG2-CE1 4.36Å; I138-Y140 HydrophobicContact CG2-CE2 3.53Å; Y140-D142 WeakPolarHBondContact CB-OD1 3.3Å; Y140-D142 PolarHBondContact O-N 2.81Å; Y140-D142 VanDerWaalsContact O-N 3.14Å; Y140-F143 VanDerWaalsContact O-CB 3.32Å; Y140-F143 WeakPolarHBondContact O-CB 3.26Å; Y140-F143 PolarHBondContact O-N 3.47Å; Y140-H153 WeakPolarHBondContact CB-ND1 3.32Å; Y140-H153 AromaticContact CD1-CD2 3.95Å; Y140-H153 AromaticContact CD1-CE1 3.41Å; Y140-H153 VanDerWaalsContact CD1-CE1 3.41Å; Y140-H153 WeakPolarHBondContact CD1-CE1 3.29Å; Y140-H153 AromaticContact CD1-ND1 3.87Å; Y140-H153 AromaticContact CD1-NE2 3.49Å; Y140-H153 WeakPolarHBondContact CD1-NE2 3.38Å; Y140-H153 HydrophobicContact CD2-CB 4.05Å; Y140-H153 AromaticContact CD2-CG 3.73Å; Y140-H153 AromaticContact CD2-ND1 3.87Å; Y140-H153 AromaticContact CE1-CD2 3.98Å; Y140-H153 AromaticContact CE1-NE2 3.73Å; Y140-H153 HydrophobicContact CE2-CB 4.39Å; Y140-H153 AromaticContact CG-CD2 4Å; Y140-H153 AromaticContact CG-CE1 3.48Å; Y140-H153 VanDerWaalsContact CG-CE1 3.48Å; Y140-H153 AromaticContact CG-CG 3.75Å; Y140-H153 AromaticContact CG-ND1 3.44Å; Y140-H153 AromaticContact CG-NE2 3.86Å; Y140-K157 VanDerWaalsContact CA-O 3.29Å; Y140-K157 WeakPolarHBondContact CA-O 3.31Å; Y140-L158 HydrophobicContact CD1-CB 4.4Å; Y140-L158 HydrophobicContact CE1-CB 4.19Å; Y140-C203 HydrophobicContact CE2-CB 4.38Å
141	E	98	Very high	98.1	Very high	93 Å²	93	33.6 Å²	33.6	44%	0.435	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.5	-178.3	-67.2	170	146.7	0	0	112.9	F143 L144 N145 G156 K157 V159	E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.3Å; E141-L144 PolarHBondContact O-N 2.98Å; E141-N145 PolarHBondContact O-ND2 3.04Å; E141-G156 WeakPolarHBondContact OE2-CA 3.26Å; E141-K157 PolarHBondContact N-O 2.9Å; E141-K157 PolarHBondContact OE2-N 2.88Å; E141-V159 HydrophobicContact CB-CG2 4.4Å; E141-V159 HydrophobicContact CG-CG2 3.76Å
142	D	98	Very high	98	Very high	27 Å²	27	39 Å²	39	14%	0.144	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.1	177.5	61.7	0.2	0	0	0	113.7	Y140 L144 N145 Y151 H153 I154 T155	Y140-D142 WeakPolarHBondContact CB-OD1 3.3Å; Y140-D142 PolarHBondContact O-N 2.81Å; Y140-D142 VanDerWaalsContact O-N 3.14Å; D142-L144 VanDerWaalsContact C-N 3.29Å; D142-L144 PolarHBondContact O-N 2.91Å; D142-N145 PolarHBondContact O-N 2.77Å; D142-N145 VanDerWaalsContact O-N 3.11Å; D142-Y151 PolarHBondContact OD1-OH 3.27Å; D142-H153 IonicContact OD1-ND1 2.82Å; D142-H153 PolarHBondContact OD1-ND1 3.4Å; D142-H153 IonicContact OD2-CE1 2.73Å; D142-H153 IonicContact OD2-CG 3.29Å; D142-H153 IonicContact OD2-ND1 3.21Å; D142-H153 PolarHBondContact OD2-ND1 3.2Å; D142-I154 PolarHBondContact OD2-N 3.17Å; D142-T155 WeakPolarHBondContact CB-O 3.27Å; D142-T155 PolarHBondContact OD2-N 3.48Å
143	F	98.3	Very high	98	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63.3	-35.8	177.1	-177.3	-101	0	0	0	112.3	F137 V139 Y140 E141 N145 Y146 Y151 W184 W188 F194	F137-F143 HydrophobicContact CE2-CD1 4.34Å; F137-F143 HydrophobicContact CE2-CD2 4.03Å; F137-F143 HydrophobicContact CE2-CE1 4.23Å; F137-F143 AromaticContact CE2-CE2 3.91Å; F137-F143 HydrophobicContact CE2-CE2 3.91Å; F137-F143 HydrophobicContact CE2-CG 4.23Å; F137-F143 HydrophobicContact CE2-CZ 4.01Å; F137-F143 HydrophobicContact CZ-CD1 4.12Å; F137-F143 HydrophobicContact CZ-CD2 4.36Å; F137-F143 AromaticContact CZ-CE1 3.65Å; F137-F143 HydrophobicContact CZ-CE1 3.65Å; F137-F143 AromaticContact CZ-CE2 3.9Å; F137-F143 HydrophobicContact CZ-CE2 3.9Å; F137-F143 HydrophobicContact CZ-CG 4.45Å; F137-F143 AromaticContact CZ-CZ 3.51Å; F137-F143 HydrophobicContact CZ-CZ 3.51Å; V139-F143 HydrophobicContact CG1-CB 4.18Å; V139-F143 HydrophobicContact CG1-CD1 3.92Å; V139-F143 HydrophobicContact CG1-CG 4.43Å; V139-F143 HydrophobicContact CG2-CD1 4.22Å; Y140-F143 VanDerWaalsContact O-CB 3.32Å; Y140-F143 WeakPolarHBondContact O-CB 3.26Å; Y140-F143 PolarHBondContact O-N 3.47Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.3Å; F143-N145 PolarHBondContact O-N 2.79Å; F143-N145 VanDerWaalsContact O-N 3.11Å; F143-Y146 WeakPolarHBondContact O-CB 3.23Å; F143-Y146 PolarHBondContact O-N 3.11Å; F143-Y151 HydrophobicContact CB-CE1 4.31Å; F143-Y151 HydrophobicContact CB-CE2 3.86Å; F143-Y151 AromaticContact CD2-CD1 3.72Å; F143-Y151 HydrophobicContact CD2-CD1 3.72Å; F143-Y151 AromaticContact CD2-CD2 3.96Å; F143-Y151 HydrophobicContact CD2-CD2 3.96Å; F143-Y151 AromaticContact CD2-CE1 3.7Å; F143-Y151 HydrophobicContact CD2-CE1 3.7Å; F143-Y151 AromaticContact CD2-CE2 3.94Å; F143-Y151 HydrophobicContact CD2-CE2 3.94Å; F143-Y151 AromaticContact CD2-CG 3.86Å; F143-Y151 HydrophobicContact CD2-CG 3.86Å; F143-Y151 AromaticContact CD2-CZ 3.82Å; F143-Y151 HydrophobicContact CE2-CD1 4.24Å; F143-Y151 HydrophobicContact CE2-CG 4.38Å; F143-Y151 HydrophobicContact CG-CE1 4.42Å; F143-Y151 HydrophobicContact CG-CE2 4.43Å; F143-W184 HydrophobicContact CD1-CH2 4.34Å; F143-W184 HydrophobicContact CD1-CZ3 4.29Å; F143-W184 HydrophobicContact CE1-CH2 4.14Å; F143-W184 AromaticContact CE1-CZ3 3.95Å; F143-W184 HydrophobicContact CE1-CZ3 3.95Å; F143-W188 HydrophobicContact CD1-CZ2 4.43Å; F143-W188 AromaticContact CE1-CH2 3.91Å; F143-W188 HydrophobicContact CE1-CH2 3.91Å; F143-W188 AromaticContact CE1-CZ2 3.76Å; F143-W188 HydrophobicContact CE1-CZ2 3.76Å; F143-W188 HydrophobicContact CE2-CH2 4.05Å; F143-W188 HydrophobicContact CE2-CZ2 4.37Å; F143-W188 AromaticContact CZ-CH2 3.43Å; F143-W188 HydrophobicContact CZ-CH2 3.43Å; F143-W188 VanDerWaalsContact CZ-CH2 3.43Å; F143-W188 AromaticContact CZ-CZ2 3.74Å; F143-W188 HydrophobicContact CZ-CZ2 3.74Å; F143-F194 AromaticContact CE2-CD2 3.68Å; F143-F194 HydrophobicContact CE2-CD2 3.68Å; F143-F194 AromaticContact CE2-CE2 3.69Å; F143-F194 HydrophobicContact CE2-CE2 3.69Å; F143-F194 HydrophobicContact CE2-CG 4.13Å; F143-F194 HydrophobicContact CE2-CZ 4.14Å; F143-F194 HydrophobicContact CZ-CD1 4.17Å; F143-F194 HydrophobicContact CZ-CD2 4.05Å; F143-F194 HydrophobicContact CZ-CE1 4Å; F143-F194 AromaticContact CZ-CE2 3.91Å; F143-F194 HydrophobicContact CZ-CE2 3.91Å; F143-F194 HydrophobicContact CZ-CG 4.16Å; F143-F194 AromaticContact CZ-CZ 3.87Å; F143-F194 HydrophobicContact CZ-CZ 3.87Å
144	L	96.2	Very high	98	Very high	29 Å²	29	46.7 Å²	46.7	15%	0.152	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.7	178	-53.5	-176.5	0	0	0	111.8	H73 V139 E141 D142 V159 W184	H73-L144 HydrophobicContact CB-CB 4.15Å; H73-L144 VanDerWaalsContact CB-O 3.3Å; H73-L144 WeakPolarHBondContact CB-O 3.44Å; V139-L144 HydrophobicContact CG1-CD2 3.8Å; V139-L144 HydrophobicContact CG1-CG 4.47Å; E141-L144 PolarHBondContact O-N 2.98Å; D142-L144 VanDerWaalsContact C-N 3.29Å; D142-L144 PolarHBondContact O-N 2.91Å; L144-V159 HydrophobicContact CD1-CG2 4.41Å; L144-W184 HydrophobicContact CD2-CH2 3.71Å; L144-W184 HydrophobicContact CD2-CZ3 4.14Å
145	N	95.6	Very high	97.9	Very high	113 Å²	113	48.8 Å²	48.8	60%	0.604	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-93.3	3.6	178.6	-61	-62.2	0	0	0	113.4	E141 D142 F143 K147	E141-N145 PolarHBondContact O-ND2 3.04Å; D142-N145 PolarHBondContact O-N 2.77Å; D142-N145 VanDerWaalsContact O-N 3.11Å; F143-N145 PolarHBondContact O-N 2.79Å; F143-N145 VanDerWaalsContact O-N 3.11Å; N145-K147 PolarHBondContact O-N 2.82Å
146	Y	98.1	Very high	97.9	Very high	14 Å²	14	50.4 Å²	50.4	6%	0.055	27%	0.271	C	S	.	.			trans	-55.7	136.2	178.3	178.6	-94.1	0	0	0	111.4	F143 S148 G149 Y151 W188 E190 F194 R195	F143-Y146 WeakPolarHBondContact O-CB 3.23Å; F143-Y146 PolarHBondContact O-N 3.11Å; Y146-S148 WeakPolarHBondContact CE2-O 3.03Å; Y146-G149 VanDerWaalsContact CE2-O 3.32Å; Y146-G149 WeakPolarHBondContact CE2-O 3.3Å; Y146-G149 PolarHBondContact OH-N 3.3Å; Y146-G149 PolarHBondContact OH-O 2.83Å; Y146-Y151 HydrophobicContact CD2-CD2 4.45Å; Y146-W188 AromaticContact CD1-CH2 3.68Å; Y146-W188 HydrophobicContact CD1-CH2 3.68Å; Y146-W188 AromaticContact CD1-CZ2 3.93Å; Y146-W188 HydrophobicContact CD1-CZ2 3.93Å; Y146-W188 HydrophobicContact CD1-CZ3 4.16Å; Y146-W188 HydrophobicContact CE1-CH2 4.39Å; Y146-W188 HydrophobicContact CG-CH2 4.3Å; Y146-W188 HydrophobicContact CG-CZ2 4.32Å; Y146-E190 HydrophobicContact CE1-CG 4.24Å; Y146-E190 VanDerWaalsContact OH-CD 3.24Å; Y146-E190 PolarHBondContact OH-OE2 2.04Å; Y146-F194 HydrophobicContact CD1-CB 3.86Å; Y146-F194 HydrophobicContact CE1-CB 3.33Å; Y146-F194 HydrophobicContact CE2-CB 4.36Å; Y146-R195 PolarHBondContact OH-N 2.9Å
147	K	97.2	Very high	97.9	Very high	101 Å²	101	57 Å²	57	44%	0.439	30%	0.298	S	S	.	.			trans	-126.7	-43.9	175.4	-60.3	-61.1	167.4	-152.5	0	112.4	H73 T74 N145 G189	H73-K147 PolarHBondContact O-NZ 2.73Å; T74-K147 PolarHBondContact OG1-NZ 3.07Å; N145-K147 PolarHBondContact O-N 2.82Å; K147-G189 CarbonylContact O-C 3.59Å; K147-G189 VanDerWaalsContact O-C 3.23Å; K147-G189 WeakPolarHBondContact O-CA 3.02Å
148	S	98.1	Very high	97.9	Very high	86 Å²	86	61.7 Å²	61.7	60%	0.601	32%	0.323	S	S	*	.	S	Bend	trans	-165.2	172.1	177.8	59.2	0	0	0	0	111.5	Y146 E190	Y146-S148 WeakPolarHBondContact CE2-O 3.03Å; S148-E190 WeakPolarHBondContact CA-OE1 3.27Å; S148-E190 WeakPolarHBondContact CB-OE1 3.33Å
149	G	98.5	Very high	97.8	Very high	21 Å²	21	64.2 Å²	64.2	22%	0.216	34%	0.339	C	S	.	.	S	Bend	trans	89.4	-167.9	177.3	0	0	0	0	0	113	Y146 E190	Y146-G149 VanDerWaalsContact CE2-O 3.32Å; Y146-G149 WeakPolarHBondContact CE2-O 3.3Å; Y146-G149 PolarHBondContact OH-N 3.3Å; Y146-G149 PolarHBondContact OH-O 2.83Å; G149-E190 PolarHBondContact N-OE1 2.8Å
150	I	98.8	Very high	97.7	Very high	40 Å²	40	66.5 Å²	66.5	21%	0.205	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.9	179.6	-58.1	168.2	0	0	0	108.5	E172 T175 Y177 R195 L197	I150-E172 HydrophobicContact CD1-CB 4.18Å; I150-T175 HydrophobicContact CB-CG2 4.38Å; I150-T175 HydrophobicContact CD1-CG2 3.58Å; I150-T175 WeakPolarHBondContact CD1-O 3.33Å; I150-T175 HydrophobicContact CG2-CG2 4.02Å; I150-Y177 HydrophobicContact CD1-CD1 3.7Å; I150-Y177 HydrophobicContact CD1-CG 4.29Å; I150-Y177 HydrophobicContact CG1-CD1 4.07Å; I150-Y177 HydrophobicContact CG1-CG 4.28Å; I150-R195 CarbonylContact C-O 3.51Å; I150-R195 HydrophobicContact CG1-CB 4.31Å; I150-L197 HydrophobicContact CG2-CB 4.36Å
151	Y	98.8	Very high	97.6	Very high	15 Å²	15	70.2 Å²	70.2	6%	0.059	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.3	175.3	178.3	-105.3	0	0	0	111	D142 F143 Y146 R195 I196 L197	D142-Y151 PolarHBondContact OD1-OH 3.27Å; F143-Y151 HydrophobicContact CB-CE1 4.31Å; F143-Y151 HydrophobicContact CB-CE2 3.86Å; F143-Y151 AromaticContact CD2-CD1 3.72Å; F143-Y151 HydrophobicContact CD2-CD1 3.72Å; F143-Y151 AromaticContact CD2-CD2 3.96Å; F143-Y151 HydrophobicContact CD2-CD2 3.96Å; F143-Y151 AromaticContact CD2-CE1 3.7Å; F143-Y151 HydrophobicContact CD2-CE1 3.7Å; F143-Y151 AromaticContact CD2-CE2 3.94Å; F143-Y151 HydrophobicContact CD2-CE2 3.94Å; F143-Y151 AromaticContact CD2-CG 3.86Å; F143-Y151 HydrophobicContact CD2-CG 3.86Å; F143-Y151 AromaticContact CD2-CZ 3.82Å; F143-Y151 HydrophobicContact CE2-CD1 4.24Å; F143-Y151 HydrophobicContact CE2-CG 4.38Å; F143-Y151 HydrophobicContact CG-CE1 4.42Å; F143-Y151 HydrophobicContact CG-CE2 4.43Å; Y146-Y151 HydrophobicContact CD2-CD2 4.45Å; Y151-R195 WeakPolarHBondContact CB-O 3.25Å; Y151-R195 PolarHBondContact N-O 3.4Å; Y151-I196 HydrophobicContact CD1-CD1 3.78Å; Y151-I196 HydrophobicContact CD1-CG1 3.89Å; Y151-I196 HydrophobicContact CE1-CD1 4.25Å; Y151-I196 WeakPolarHBondContact O-CA 3.46Å; Y151-L197 PolarHBondContact O-N 2.95Å
152	K	98.2	Very high	97.5	Very high	119 Å²	119	67.5 Å²	67.5	52%	0.517	36%	0.356	S	S	.	.			trans	-145.8	139.3	166	140.5	-177.8	170.8	-173.9	0	104.2	I154 E202	K152-I154 HydrophobicContact CG-CG1 4.48Å; K152-I154 PolarHBondContact O-N 2.97Å; K152-E202 WeakPolarHBondContact CA-OE1 3.3Å
153	H	98.3	Very high	97.5	Very high	50 Å²	50	67.8 Å²	67.8	23%	0.231	36%	0.362	C	S	.	.			trans	-64.9	133.1	174.6	175.9	52.1	0	0	0	110.7	Y140 D142 T155 G156 E202	Y140-H153 WeakPolarHBondContact CB-ND1 3.32Å; Y140-H153 AromaticContact CD1-CD2 3.95Å; Y140-H153 AromaticContact CD1-CE1 3.41Å; Y140-H153 VanDerWaalsContact CD1-CE1 3.41Å; Y140-H153 WeakPolarHBondContact CD1-CE1 3.29Å; Y140-H153 AromaticContact CD1-ND1 3.87Å; Y140-H153 AromaticContact CD1-NE2 3.49Å; Y140-H153 WeakPolarHBondContact CD1-NE2 3.38Å; Y140-H153 HydrophobicContact CD2-CB 4.05Å; Y140-H153 AromaticContact CD2-CG 3.73Å; Y140-H153 AromaticContact CD2-ND1 3.87Å; Y140-H153 AromaticContact CE1-CD2 3.98Å; Y140-H153 AromaticContact CE1-NE2 3.73Å; Y140-H153 HydrophobicContact CE2-CB 4.39Å; Y140-H153 AromaticContact CG-CD2 4Å; Y140-H153 AromaticContact CG-CE1 3.48Å; Y140-H153 VanDerWaalsContact CG-CE1 3.48Å; Y140-H153 AromaticContact CG-CG 3.75Å; Y140-H153 AromaticContact CG-ND1 3.44Å; Y140-H153 AromaticContact CG-NE2 3.86Å; D142-H153 IonicContact OD1-ND1 2.82Å; D142-H153 PolarHBondContact OD1-ND1 3.4Å; D142-H153 IonicContact OD2-CE1 2.73Å; D142-H153 IonicContact OD2-CG 3.29Å; D142-H153 IonicContact OD2-ND1 3.21Å; D142-H153 PolarHBondContact OD2-ND1 3.2Å; H153-T155 PolarHBondContact CE1-O 3.33Å; H153-T155 PolarHBondContact ND1-O 3.1Å; H153-G156 PolarHBondContact CE1-O 2.89Å; H153-G156 VanDerWaalsContact CE1-O 3.29Å; H153-E202 PolarHBondContact N-OE1 3.01Å
154	I	98.1	Very high	97.5	Very high	135 Å²	135	68.2 Å²	68.2	69%	0.692	36%	0.364	S	S	*	.			trans	-124.9	-42.9	178	-53	179.6	0	0	0	110.3	D142 K152	D142-I154 PolarHBondContact OD2-N 3.17Å; K152-I154 HydrophobicContact CG-CG1 4.48Å; K152-I154 PolarHBondContact O-N 2.97Å
155	T	97.8	Very high	97.7	Very high	91 Å²	91	71.3 Å²	71.3	56%	0.558	37%	0.374	S	S	*	.	S	Bend	trans	-147.4	158.6	-172.5	59.8	0	0	0	0	112.6	D142 H153	D142-T155 WeakPolarHBondContact CB-O 3.27Å; D142-T155 PolarHBondContact OD2-N 3.48Å; H153-T155 PolarHBondContact CE1-O 3.33Å; H153-T155 PolarHBondContact ND1-O 3.1Å
156	G	97.7	Very high	97.8	Very high	36 Å²	36	66 Å²	66	37%	0.371	35%	0.345	S	S	.	.	S	Bend	trans	97.7	164	173.4	0	0	0	0	0	113.3	E141 H153	E141-G156 WeakPolarHBondContact OE2-CA 3.26Å; H153-G156 PolarHBondContact CE1-O 2.89Å; H153-G156 VanDerWaalsContact CE1-O 3.29Å
157	K	97.7	Very high	97.8	Very high	157 Å²	157	68 Å²	68	68%	0.683	36%	0.357	S	S	*	.			trans	-83.8	161.6	-176.5	-63.5	178	-176.4	174.3	0	111.3	Y140 E141 V159	Y140-K157 VanDerWaalsContact CA-O 3.29Å; Y140-K157 WeakPolarHBondContact CA-O 3.31Å; E141-K157 PolarHBondContact N-O 2.9Å; E141-K157 PolarHBondContact OE2-N 2.88Å; K157-V159 PolarHBondContact O-N 3.42Å
158	L	97.6	Very high	97.9	Very high	99 Å²	99	63.8 Å²	63.8	52%	0.518	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129.6	167.2	-177.3	154.7	0	0	0	108.7	I138 Y140	I138-L158 HydrophobicContact CG2-CD1 3.65Å; I138-L158 HydrophobicContact CG2-CG 3.73Å; Y140-L158 HydrophobicContact CD1-CB 4.4Å; Y140-L158 HydrophobicContact CE1-CB 4.19Å
159	V	96.2	Very high	98	Very high	71 Å²	71	64 Å²	64	43%	0.43	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-57.4	176.7	176.9	0	0	0	0	109.7	V139 E141 L144 K157	V139-V159 HydrophobicContact CG1-CB 4.21Å; V139-V159 WeakPolarHBondContact O-CB 3.3Å; V139-V159 PolarHBondContact O-N 3.41Å; E141-V159 HydrophobicContact CB-CG2 4.4Å; E141-V159 HydrophobicContact CG-CG2 3.76Å; L144-V159 HydrophobicContact CD1-CG2 4.41Å; K157-V159 PolarHBondContact O-N 3.42Å
160	S	95.4	Very high	98	Very high	50 Å²	50	63.7 Å²	63.7	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	177.2	-176.3	67.2	0	0	0	0	112	V139	V139-S160 PolarHBondContact N-O 3.12Å; V139-S160 PolarHBondContact O-N 3.43Å
161	W	96.4	Very high	98	Very high	128 Å²	128	66.1 Å²	66.1	49%	0.485	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	146.9	156.9	-73.7	87.4	0	0	0	109.6	N136 I138	N136-W161 HydrophobicContact CB-CE3 3.97Å; N136-W161 HydrophobicContact CB-CZ3 4.2Å; I138-W161 HydrophobicContact CD1-CH2 4.1Å; I138-W161 HydrophobicContact CD1-CZ2 3.96Å; I138-W161 HydrophobicContact CG1-CD2 4.06Å; I138-W161 HydrophobicContact CG1-CE3 4.03Å; I138-W161 HydrophobicContact CG1-CH2 3.79Å; I138-W161 HydrophobicContact CG1-CZ2 3.77Å; I138-W161 HydrophobicContact CG1-CZ3 3.91Å
162	H	97.5	Very high	98	Very high	35 Å²	35	69.1 Å²	69.1	16%	0.162	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.8	176.9	-171	42.4	0	0	0	111.1	N136 F137 V139 N182	N136-H162 WeakPolarHBondContact CA-O 3.45Å; F137-H162 HydrophobicContact CD1-CB 4.34Å; F137-H162 WeakPolarHBondContact CD1-O 3.24Å; F137-H162 HydrophobicContact CE1-CB 3.83Å; F137-H162 AromaticContact CE1-CD2 3.76Å; F137-H162 HydrophobicContact CZ-CB 4.43Å; F137-H162 PolarHBondContact N-O 3.35Å; F137-H162 PolarHBondContact O-N 2.02Å; V139-H162 HydrophobicContact CG2-CB 3.4Å; H162-N182 PolarHBondContact NE2-OD1 3.49Å
163	A	97.9	Very high	97.9	Very high	33 Å²	33	70.3 Å²	70.3	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.4	177.9	0	0	0	0	0	110.1	P38 A135 N136	P38-A163 HydrophobicContact CG-CB 3.83Å; A135-A163 CarbonylContact O-C 3.6Å; A135-A163 WeakPolarHBondContact O-CA 3.32Å; N136-A163 WeakPolarHBondContact OD1-CA 3.49Å; N136-A163 WeakPolarHBondContact OD1-CB 3.33Å
164	I	98.3	Very high	97.9	Very high	9 Å²	9	75.5 Å²	75.5	5%	0.046	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	173.8	-176.6	58.8	67	0	0	0	111.5	E134 A135 F137 I166 I180 F194 I205	E134-I164 CarbonylContact C-O 3.4Å; E134-I164 VanDerWaalsContact CA-O 3.28Å; E134-I164 WeakPolarHBondContact CA-O 3.02Å; E134-I164 WeakPolarHBondContact CG-O 3.35Å; A135-I164 HydrophobicContact CB-CD1 3.81Å; A135-I164 PolarHBondContact N-O 3.16Å; A135-I164 PolarHBondContact O-N 3.04Å; F137-I164 HydrophobicContact CD1-CG1 4.03Å; F137-I164 HydrophobicContact CD1-CG2 4.15Å; F137-I164 HydrophobicContact CE1-CG1 4.26Å; F137-I164 HydrophobicContact CE1-CG2 3.61Å; I164-I166 HydrophobicContact CD1-CD1 4.31Å; I164-I166 HydrophobicContact CD1-CG1 3.5Å; I164-I180 HydrophobicContact CB-CG2 3.6Å; I164-I180 HydrophobicContact CD1-CD1 3.85Å; I164-I180 HydrophobicContact CD1-CG1 4.28Å; I164-I180 HydrophobicContact CD1-CG2 3.73Å; I164-I180 HydrophobicContact CG1-CD1 4.27Å; I164-I180 HydrophobicContact CG1-CG2 3.77Å; I164-I180 HydrophobicContact CG2-CG2 4.24Å; I164-F194 HydrophobicContact CG1-CZ 4.47Å; I164-F194 HydrophobicContact CG2-CE1 4.19Å; I164-F194 HydrophobicContact CG2-CZ 4.18Å; I164-I205 HydrophobicContact CD1-CD1 3.91Å; I164-I205 HydrophobicContact CG1-CD1 4.01Å
165	R	98.7	Very high	97.9	Very high	95 Å²	95	71.7 Å²	71.7	36%	0.358	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120	175.8	179.5	172	57	103	5.6	111.2	D3 P132 V133 I167 I180 P181	D3-R165 IonicContact OD1-NH1 2.83Å; D3-R165 WeakPolarHBondContact OD2-CD 3.43Å; D3-R165 IonicContact OD2-CZ 2.64Å; D3-R165 IonicContact OD2-NE 2.77Å; D3-R165 IonicContact OD2-NH1 3.9Å; D3-R165 PolarHBondContact OD2-NH1 3.2Å; P132-R165 HydrophobicContact CB-CG 3.86Å; V133-R165 CarbonylContact O-C 3.55Å; V133-R165 VanDerWaalsContact O-CA 3.3Å; V133-R165 WeakPolarHBondContact O-CA 3.04Å; R165-I167 HydrophobicContact CG-CG2 4.07Å; R165-I167 VanDerWaalsContact NH1-CG2 3.33Å; R165-I180 WeakPolarHBondContact O-CG2 3.06Å; R165-P181 WeakPolarHBondContact O-CD 3.45Å
166	I	98.8	Very high	98	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.5	174.5	-47.9	179.5	0	0	0	109	I127 P132 V133 A135 I164 W178 I180 I205	I127-I166 HydrophobicContact CD1-CB 4.02Å; I127-I166 HydrophobicContact CD1-CG2 3.6Å; P132-I166 VanDerWaalsContact CA-O 3.27Å; P132-I166 WeakPolarHBondContact CA-O 3.34Å; P132-I166 WeakPolarHBondContact CB-O 3.4Å; V133-I166 HydrophobicContact CG2-CB 3.87Å; V133-I166 HydrophobicContact CG2-CD1 4.38Å; V133-I166 HydrophobicContact CG2-CG1 4.32Å; V133-I166 PolarHBondContact N-O 3.04Å; V133-I166 VanDerWaalsContact N-O 3.12Å; V133-I166 PolarHBondContact O-N 3.37Å; A135-I166 HydrophobicContact CB-CD1 3.71Å; A135-I166 HydrophobicContact CB-CG1 4.07Å; I164-I166 HydrophobicContact CD1-CD1 4.31Å; I164-I166 HydrophobicContact CD1-CG1 3.5Å; I166-W178 HydrophobicContact CG2-CB 4.18Å; I166-W178 HydrophobicContact CG2-CD2 4.16Å; I166-W178 HydrophobicContact CG2-CE3 3.69Å; I166-W178 HydrophobicContact CG2-CG 4.4Å; I166-W178 HydrophobicContact CG2-CZ3 4.45Å; I166-I180 HydrophobicContact CG1-CD1 4.29Å; I166-I180 HydrophobicContact CG1-CG1 4.19Å; I166-I180 HydrophobicContact CG2-CG1 4.49Å; I166-I205 HydrophobicContact CD1-CG1 4.47Å
167	I	98.7	Very high	98	Very high	57 Å²	57	69.5 Å²	69.5	29%	0.292	36%	0.358	S	S	.	.			trans	-109.6	-15.5	-177.5	68.4	171	0	0	0	113.8	P132 R165 L179 P181	P132-I167 HydrophobicContact CB-CG2 4Å; P132-I167 HydrophobicContact CG-CB 4.22Å; P132-I167 HydrophobicContact CG-CG2 3.88Å; R165-I167 HydrophobicContact CG-CG2 4.07Å; R165-I167 VanDerWaalsContact NH1-CG2 3.33Å; I167-L179 HydrophobicContact CD1-CD2 3.78Å; I167-L179 HydrophobicContact CD1-CG 3.98Å; I167-L179 HydrophobicContact CG1-CB 4.29Å; I167-L179 HydrophobicContact CG1-CD2 3.91Å; I167-L179 HydrophobicContact CG1-CG 3.84Å; I167-L179 WeakPolarHBondContact CG1-O 3.22Å; I167-L179 PolarHBondContact N-O 2.76Å; I167-P181 HydrophobicContact CD1-CG 3.69Å; I167-P181 HydrophobicContact CG1-CG 4.15Å; I167-P181 HydrophobicContact CG2-CG 3.73Å
168	G	98.8	Very high	98.1	Very high	13 Å²	13	62 Å²	62	13%	0.134	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	-170.3	-174.6	0	0	0	0	0	112.6	L179	G168-L179 PolarHBondContact O-N 3.19Å
169	W	98.9	Very high	98.2	Very high	90 Å²	90	60 Å²	60	34%	0.341	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	163.9	-179.6	59.8	91.6	0	0	0	110.4	Q124 I127 M128 Y177 W178	Q124-W169 HydrophobicContact CB-CD2 4.4Å; Q124-W169 HydrophobicContact CB-CE3 4.37Å; Q124-W169 HydrophobicContact CB-CH2 3.94Å; Q124-W169 HydrophobicContact CB-CZ2 3.92Å; Q124-W169 HydrophobicContact CB-CZ3 4.17Å; Q124-W169 HydrophobicContact CG-CD2 3.73Å; Q124-W169 HydrophobicContact CG-CE3 3.98Å; Q124-W169 HydrophobicContact CG-CG 4.23Å; Q124-W169 HydrophobicContact CG-CH2 4.32Å; Q124-W169 HydrophobicContact CG-CZ2 4.06Å; Q124-W169 HydrophobicContact CG-CZ3 4.28Å; Q124-W169 VanDerWaalsContact O-CH2 3.28Å; Q124-W169 WeakPolarHBondContact O-CH2 3.49Å; I127-W169 HydrophobicContact CB-CZ3 3.86Å; I127-W169 HydrophobicContact CD1-CZ3 4.46Å; I127-W169 HydrophobicContact CG2-CZ3 3.8Å; M128-W169 HydrophobicContact CB-CH2 4.04Å; W169-Y177 VanDerWaalsContact CA-O 3.24Å; W169-Y177 WeakPolarHBondContact CA-O 3.12Å; W169-Y177 WeakPolarHBondContact CB-O 3.25Å; W169-W178 HydrophobicContact CB-CE3 3.8Å; W169-W178 HydrophobicContact CB-CZ3 3.97Å; W169-W178 HydrophobicContact CD2-CZ3 4.32Å; W169-W178 AromaticContact CE3-CZ3 3.96Å; W169-W178 HydrophobicContact CE3-CZ3 3.96Å; W169-W178 HydrophobicContact CG-CZ3 4.35Å
170	G	98.7	Very high	98.3	Very high	14 Å²	14	56.6 Å²	56.6	14%	0.144	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	-174.7	174.1	0	0	0	0	0	112.1	P176 Y177 R198	G170-P176 WeakPolarHBondContact O-CA 3.18Å; G170-Y177 VanDerWaalsContact CA-CZ 3.47Å; G170-Y177 PolarHBondContact N-O 2.91Å; G170-Y177 VanDerWaalsContact N-O 3.09Å; G170-Y177 WeakPolarHBondContact O-CD1 3.42Å; G170-Y177 PolarHBondContact O-N 3.32Å; G170-R198 PolarHBondContact O-NH2 3.1Å
171	V	98.7	Very high	98.4	Very high	92 Å²	92	55.1 Å²	55.1	56%	0.558	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.5	172.6	-179.6	0	0	0	0	107.2	T175 P176	V171-T175 WeakPolarHBondContact CA-O 3.27Å; V171-P176 HydrophobicContact CG2-CB 4.4Å
172	E	98.6	Very high	98.5	Very high	77 Å²	77	50 Å²	50	36%	0.36	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.8	172.8	-179.9	178.6	-92.3	0	0	107.8	I150 N174 T175 Y177 R195	I150-E172 HydrophobicContact CD1-CB 4.18Å; E172-N174 VanDerWaalsContact C-N 3.29Å; E172-N174 PolarHBondContact O-N 2.79Å; E172-T175 PolarHBondContact N-O 3.45Å; E172-T175 WeakPolarHBondContact O-CA 3.45Å; E172-T175 WeakPolarHBondContact O-CB 3.47Å; E172-T175 PolarHBondContact O-N 3.23Å; E172-Y177 HydrophobicContact CB-CD1 4.4Å; E172-Y177 HydrophobicContact CB-CE1 3.96Å; E172-R195 IonicContact OE1-CZ 3.9Å; E172-R195 IonicContact OE1-NH1 3.79Å; E172-R195 PolarHBondContact OE1-NH1 3.37Å; E172-R195 IonicContact OE1-NH2 3.58Å; E172-R195 IonicContact OE2-CZ 3.04Å; E172-R195 IonicContact OE2-NH1 2.73Å; E172-R195 PolarHBondContact OE2-NH1 2.83Å; E172-R195 IonicContact OE2-NH2 3.95Å
173	N	97.5	Very high	98.5	Very high	145 Å²	145	52.5 Å²	52.5	78%	0.775	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	48.6	-178.6	-58.8	-35.2	0	0	0	113	T175	N173-T175 PolarHBondContact O-N 2.73Å; N173-T175 VanDerWaalsContact O-N 3.08Å; N173-T175 PolarHBondContact O-OG1 2.99Å
174	N	98	Very high	98.4	Very high	159 Å²	159	52.3 Å²	52.3	85%	0.85	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	10.1	-175.5	-60.8	-38.7	0	0	0	115.9	E172	E172-N174 VanDerWaalsContact C-N 3.29Å; E172-N174 PolarHBondContact O-N 2.79Å
175	T	98.6	Very high	98.3	Very high	54 Å²	54	53 Å²	53	33%	0.331	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.7	177.3	-54.4	0	0	0	0	109.6	I150 V171 E172 N173 L197	I150-T175 HydrophobicContact CB-CG2 4.38Å; I150-T175 HydrophobicContact CD1-CG2 3.58Å; I150-T175 WeakPolarHBondContact CD1-O 3.33Å; I150-T175 HydrophobicContact CG2-CG2 4.02Å; V171-T175 WeakPolarHBondContact CA-O 3.27Å; E172-T175 PolarHBondContact N-O 3.45Å; E172-T175 WeakPolarHBondContact O-CA 3.45Å; E172-T175 WeakPolarHBondContact O-CB 3.47Å; E172-T175 PolarHBondContact O-N 3.23Å; N173-T175 PolarHBondContact O-N 2.73Å; N173-T175 VanDerWaalsContact O-N 3.08Å; N173-T175 PolarHBondContact O-OG1 2.99Å; T175-L197 HydrophobicContact CG2-CD1 3.74Å
176	P	98.8	Very high	98.3	Very high	39 Å²	39	51 Å²	51	25%	0.253	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.4	176.4	30	-34.1	0	0	0	111	G170 V171 R198	G170-P176 WeakPolarHBondContact O-CA 3.18Å; V171-P176 HydrophobicContact CG2-CB 4.4Å; P176-R198 HydrophobicContact CB-CB 4.29Å; P176-R198 VanDerWaalsContact CB-NH2 3.33Å; P176-R198 WeakPolarHBondContact CG-O 3.31Å; P176-R198 PolarHBondContact O-N 3.06Å
177	Y	98.9	Very high	98.2	Very high	43 Å²	43	53 Å²	53	17%	0.169	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.7	178	63.9	-96	0	0	0	113.4	I150 W169 G170 E172 L179 R195 I196 R198	I150-Y177 HydrophobicContact CD1-CD1 3.7Å; I150-Y177 HydrophobicContact CD1-CG 4.29Å; I150-Y177 HydrophobicContact CG1-CD1 4.07Å; I150-Y177 HydrophobicContact CG1-CG 4.28Å; W169-Y177 VanDerWaalsContact CA-O 3.24Å; W169-Y177 WeakPolarHBondContact CA-O 3.12Å; W169-Y177 WeakPolarHBondContact CB-O 3.25Å; G170-Y177 VanDerWaalsContact CA-CZ 3.47Å; G170-Y177 PolarHBondContact N-O 2.91Å; G170-Y177 VanDerWaalsContact N-O 3.09Å; G170-Y177 WeakPolarHBondContact O-CD1 3.42Å; G170-Y177 PolarHBondContact O-N 3.32Å; E172-Y177 HydrophobicContact CB-CD1 4.4Å; E172-Y177 HydrophobicContact CB-CE1 3.96Å; Y177-L179 HydrophobicContact CE2-CB 4.41Å; Y177-R195 HydrophobicContact CD2-CB 3.92Å; Y177-R195 HydrophobicContact CD2-CG 3.66Å; Y177-R195 HydrophobicContact CE2-CG 3.92Å; Y177-R195 HydrophobicContact CG-CB 4.09Å; Y177-R195 HydrophobicContact CG-CG 4.27Å; Y177-I196 CarbonylContact C-O 3.44Å; Y177-I196 WeakPolarHBondContact CA-O 3.45Å; Y177-I196 WeakPolarHBondContact CB-O 3.22Å; Y177-R198 PolarHBondContact O-NE 3.41Å
178	W	98.9	Very high	98.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.6	159.4	-64.8	115.2	0	0	0	109.8	E120 I123 Q124 I127 I166 W169 I180 R195 I196 R198 E206	E120-W178 HydrophobicContact CG-CH2 4.42Å; E120-W178 HydrophobicContact CG-CZ2 4.13Å; I123-W178 HydrophobicContact CB-CH2 3.81Å; I123-W178 HydrophobicContact CB-CZ2 4.21Å; I123-W178 HydrophobicContact CD1-CZ2 4.43Å; I123-W178 HydrophobicContact CG2-CH2 3.51Å; I123-W178 HydrophobicContact CG2-CZ2 3.98Å; I123-W178 HydrophobicContact CG2-CZ3 3.93Å; Q124-W178 HydrophobicContact CG-CH2 3.69Å; Q124-W178 HydrophobicContact CG-CZ3 3.9Å; I127-W178 HydrophobicContact CD1-CZ3 4.17Å; I166-W178 HydrophobicContact CG2-CB 4.18Å; I166-W178 HydrophobicContact CG2-CD2 4.16Å; I166-W178 HydrophobicContact CG2-CE3 3.69Å; I166-W178 HydrophobicContact CG2-CG 4.4Å; I166-W178 HydrophobicContact CG2-CZ3 4.45Å; W169-W178 HydrophobicContact CB-CE3 3.8Å; W169-W178 HydrophobicContact CB-CZ3 3.97Å; W169-W178 HydrophobicContact CD2-CZ3 4.32Å; W169-W178 AromaticContact CE3-CZ3 3.96Å; W169-W178 HydrophobicContact CE3-CZ3 3.96Å; W169-W178 HydrophobicContact CG-CZ3 4.35Å; W178-I180 HydrophobicContact CB-CD1 4.11Å; W178-I180 HydrophobicContact CB-CG1 4.16Å; W178-R195 VanDerWaalsContact O-CA 3.25Å; W178-R195 WeakPolarHBondContact O-CA 3.47Å; W178-I196 HydrophobicContact CB-CG2 3.95Å; W178-I196 PolarHBondContact N-O 2.78Å; W178-I196 PolarHBondContact O-N 3.27Å; W178-R198 HydrophobicContact CD2-CB 4.18Å; W178-R198 HydrophobicContact CD2-CG 3.99Å; W178-R198 VanDerWaalsContact CE2-CD 3.4Å; W178-R198 VanDerWaalsContact CE2-CG 3.42Å; W178-R198 HydrophobicContact CG-CB 4.04Å; W178-R198 HydrophobicContact CG-CG 4.37Å; W178-R198 HydrophobicContact CH2-CG 4.33Å; W178-R198 VanDerWaalsContact CZ2-CD 3.43Å; W178-R198 HydrophobicContact CZ2-CG 3.62Å; W178-E206 HydrophobicContact CZ2-CG 4.18Å; W178-E206 PolarHBondContact NE1-OE1 3.33Å
179	L	98.9	Very high	98.1	Very high	56 Å²	56	50.6 Å²	50.6	29%	0.293	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.3	173.3	177.6	63.8	0	0	0	109.4	I167 G168 Y177 N193 R195	I167-L179 HydrophobicContact CD1-CD2 3.78Å; I167-L179 HydrophobicContact CD1-CG 3.98Å; I167-L179 HydrophobicContact CG1-CB 4.29Å; I167-L179 HydrophobicContact CG1-CD2 3.91Å; I167-L179 HydrophobicContact CG1-CG 3.84Å; I167-L179 WeakPolarHBondContact CG1-O 3.22Å; I167-L179 PolarHBondContact N-O 2.76Å; G168-L179 PolarHBondContact O-N 3.19Å; Y177-L179 HydrophobicContact CE2-CB 4.41Å; L179-N193 HydrophobicContact CD1-CB 4.4Å; L179-R195 HydrophobicContact CD1-CG 4.1Å
180	I	98.9	Very high	98	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	114.1	-167.2	-57.9	176.9	0	0	0	110.2	I164 R165 I166 W178 N193 F194 I196 I205	I164-I180 HydrophobicContact CB-CG2 3.6Å; I164-I180 HydrophobicContact CD1-CD1 3.85Å; I164-I180 HydrophobicContact CD1-CG1 4.28Å; I164-I180 HydrophobicContact CD1-CG2 3.73Å; I164-I180 HydrophobicContact CG1-CD1 4.27Å; I164-I180 HydrophobicContact CG1-CG2 3.77Å; I164-I180 HydrophobicContact CG2-CG2 4.24Å; R165-I180 WeakPolarHBondContact O-CG2 3.06Å; I166-I180 HydrophobicContact CG1-CD1 4.29Å; I166-I180 HydrophobicContact CG1-CG1 4.19Å; I166-I180 HydrophobicContact CG2-CG1 4.49Å; W178-I180 HydrophobicContact CB-CD1 4.11Å; W178-I180 HydrophobicContact CB-CG1 4.16Å; I180-N193 CarbonylContact O-C 3.24Å; I180-N193 VanDerWaalsContact O-CA 3.28Å; I180-N193 WeakPolarHBondContact O-CA 3.27Å; I180-F194 HydrophobicContact CB-CD1 3.93Å; I180-F194 HydrophobicContact CB-CD2 4.47Å; I180-F194 HydrophobicContact CB-CE1 3.61Å; I180-F194 HydrophobicContact CB-CE2 4.17Å; I180-F194 HydrophobicContact CB-CG 4.38Å; I180-F194 HydrophobicContact CB-CZ 3.74Å; I180-F194 HydrophobicContact CD1-CE1 4.45Å; I180-F194 HydrophobicContact CD1-CE2 3.71Å; I180-F194 HydrophobicContact CD1-CZ 3.68Å; I180-F194 HydrophobicContact CG1-CE2 4.47Å; I180-F194 HydrophobicContact CG1-CZ 4.31Å; I180-F194 HydrophobicContact CG2-CD1 3.92Å; I180-F194 HydrophobicContact CG2-CE1 3.17Å; I180-F194 HydrophobicContact CG2-CE2 4.33Å; I180-F194 HydrophobicContact CG2-CZ 3.43Å; I180-F194 VanDerWaalsContact CG2-CZ 3.43Å; I180-F194 PolarHBondContact N-O 2.85Å; I180-F194 WeakPolarHBondContact O-CD1 3.18Å; I180-F194 PolarHBondContact O-N 2.92Å; I180-I196 HydrophobicContact CD1-CG2 3.47Å; I180-I196 VanDerWaalsContact CD1-CG2 3.47Å; I180-I205 HydrophobicContact CD1-CD1 3.82Å; I180-I205 HydrophobicContact CD1-CG1 4.24Å
181	P	98.4	Very high	98	Very high	18 Å²	18	53.8 Å²	53.8	12%	0.117	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.3	162.5	-17.9	34.2	0	0	0	109.3	R165 I167 N193	R165-P181 WeakPolarHBondContact O-CD 3.45Å; I167-P181 HydrophobicContact CD1-CG 3.69Å; I167-P181 HydrophobicContact CG1-CG 4.15Å; I167-P181 HydrophobicContact CG2-CG 3.73Å; P181-N193 WeakPolarHBondContact CA-OD1 3.17Å; P181-N193 WeakPolarHBondContact CB-OD1 3.49Å; P181-N193 WeakPolarHBondContact CG-OD1 3.41Å
182	N	97.9	Very high	98	Very high	20 Å²	20	49.8 Å²	49.8	11%	0.107	27%	0.273	C	S	.	.			trans	-88.1	170	173.1	-159.6	3.5	0	0	0	110.3	H162 W188 G192 F194	H162-N182 PolarHBondContact NE2-OD1 3.49Å; N182-W188 HydrophobicContact CB-CE3 3.91Å; N182-W188 HydrophobicContact CB-CH2 4.49Å; N182-W188 HydrophobicContact CB-CZ3 3.69Å; N182-W188 WeakPolarHBondContact ND2-CZ3 3.38Å; N182-G192 PolarHBondContact N-O 3.12Å; N182-F194 HydrophobicContact CB-CD1 4.07Å; N182-F194 HydrophobicContact CB-CE1 4.11Å
183	S	96.7	Very high	98	Very high	88 Å²	88	48 Å²	48	62%	0.615	27%	0.267	S	S	*	.	S	Bend	trans	-99.7	19.7	178.9	50.2	0	0	0	0	113.3
184	W	96.9	Very high	98	Very high	29 Å²	29	41.1 Å²	41.1	11%	0.11	23%	0.23	C	C	.	.	S	Bend	trans	-108.4	39.7	-173.5	-70.1	-7.8	0	0	0	113.3	H72 F143 L144 W188	H72-W184 HydrophobicContact CB-CB 3.79Å; H72-W184 HydrophobicContact CB-CD2 3.81Å; H72-W184 HydrophobicContact CB-CE3 4.05Å; H72-W184 HydrophobicContact CB-CG 3.69Å; H72-W184 AromaticContact CD2-CD1 3.88Å; H72-W184 AromaticContact CD2-CG 3.9Å; H72-W184 AromaticContact CE1-CD1 3.69Å; H72-W184 AromaticContact CG-CD1 3.65Å; H72-W184 AromaticContact CG-CG 3.55Å; H72-W184 AromaticContact ND1-CD1 3.53Å; H72-W184 AromaticContact ND1-CG 3.86Å; H72-W184 AromaticContact ND1-NE1 3.7Å; H72-W184 AromaticContact NE2-CD1 3.89Å; F143-W184 HydrophobicContact CD1-CH2 4.34Å; F143-W184 HydrophobicContact CD1-CZ3 4.29Å; F143-W184 HydrophobicContact CE1-CH2 4.14Å; F143-W184 AromaticContact CE1-CZ3 3.95Å; F143-W184 HydrophobicContact CE1-CZ3 3.95Å; L144-W184 HydrophobicContact CD2-CH2 3.71Å; L144-W184 HydrophobicContact CD2-CZ3 4.14Å; W184-W188 HydrophobicContact CB-CB 4.2Å; W184-W188 HydrophobicContact CB-CG 4.22Å; W184-W188 AromaticContact CE3-CD1 3.92Å; W184-W188 HydrophobicContact CE3-CD2 4.04Å; W184-W188 AromaticContact CE3-CE2 3.64Å; W184-W188 HydrophobicContact CE3-CG 4.21Å; W184-W188 HydrophobicContact CE3-CZ2 4.09Å; W184-W188 AromaticContact CE3-NE1 3.56Å; W184-W188 AromaticContact CZ3-CE2 3.97Å; W184-W188 HydrophobicContact CZ3-CZ2 4.07Å; W184-W188 AromaticContact CZ3-NE1 3.86Å; W184-W188 WeakPolarHBondContact O-CB 3.13Å
185	N	96.5	Very high	98.1	Very high	25 Å²	25	35 Å²	35	13%	0.134	19%	0.194	C	C	.	.			trans	61	175	-177.8	86.2	52.2	0	0	0	114.3	C70 E71 Y78 D187 G192	C70-N185 PolarHBondContact O-ND2 3.16Å; E71-N185 PolarHBondContact OE2-ND2 3.17Å; Y78-N185 HydrophobicContact CD2-CB 4.3Å; Y78-N185 HydrophobicContact CE2-CB 4.19Å; N185-D187 WeakPolarHBondContact OD1-CA 3.18Å; N185-D187 WeakPolarHBondContact OD1-CB 3.13Å; N185-D187 PolarHBondContact OD1-N 2.85Å; N185-G192 WeakPolarHBondContact O-CA 3.02Å
186	E	97	Very high	98.1	Very high	53 Å²	53	32.4 Å²	32.4	25%	0.248	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.7	-175.1	69.5	-86.1	-160.5	0	0	115.8	K69 K77 Y78 W188 N191 G192	K69-E186 IonicContact NZ-OE1 2.71Å; K69-E186 IonicContact NZ-OE2 3.57Å; K69-E186 PolarHBondContact NZ-OE2 3.12Å; K77-E186 VanDerWaalsContact CE-OE1 3.3Å; K77-E186 WeakPolarHBondContact CE-OE1 3.04Å; K77-E186 IonicContact NZ-OE1 3.93Å; K77-E186 PolarHBondContact NZ-OE1 2.76Å; Y78-E186 PolarHBondContact OH-OE1 3.14Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-N191 CarbonylContact O-C 3.48Å; E186-N191 VanDerWaalsContact O-C 3.24Å; E186-N191 WeakPolarHBondContact O-CA 3.08Å; E186-G192 PolarHBondContact O-N 2.57Å; E186-G192 VanDerWaalsContact O-N 3.11Å
187	D	97.1	Very high	98.1	Very high	42 Å²	42	31.5 Å²	31.5	23%	0.225	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-13.5	178.9	-67.8	5.4	0	0	0	111.7	E71 G76 K77 N185	E71-D187 VanDerWaalsContact OE1-OD2 3.1Å; G76-D187 VanDerWaalsContact CA-OD2 3.29Å; G76-D187 WeakPolarHBondContact CA-OD2 3.44Å; K77-D187 WeakPolarHBondContact CG-OD2 3.26Å; K77-D187 PolarHBondContact N-OD2 2.84Å; K77-D187 IonicContact NZ-OD1 2.73Å; K77-D187 PolarHBondContact NZ-OD1 2.79Å; K77-D187 IonicContact NZ-OD2 2.79Å; N185-D187 WeakPolarHBondContact OD1-CA 3.18Å; N185-D187 WeakPolarHBondContact OD1-CB 3.13Å; N185-D187 PolarHBondContact OD1-N 2.85Å
188	W	98	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-85.1	139	174.4	-175.1	89.6	0	0	0	112.5	H72 T74 F143 Y146 N182 W184 E186 E190 G192 F194	H72-W188 VanDerWaalsContact O-CD1 3.24Å; T74-W188 HydrophobicContact CG2-CB 4.26Å; F143-W188 HydrophobicContact CD1-CZ2 4.43Å; F143-W188 AromaticContact CE1-CH2 3.91Å; F143-W188 HydrophobicContact CE1-CH2 3.91Å; F143-W188 AromaticContact CE1-CZ2 3.76Å; F143-W188 HydrophobicContact CE1-CZ2 3.76Å; F143-W188 HydrophobicContact CE2-CH2 4.05Å; F143-W188 HydrophobicContact CE2-CZ2 4.37Å; F143-W188 AromaticContact CZ-CH2 3.43Å; F143-W188 HydrophobicContact CZ-CH2 3.43Å; F143-W188 VanDerWaalsContact CZ-CH2 3.43Å; F143-W188 AromaticContact CZ-CZ2 3.74Å; F143-W188 HydrophobicContact CZ-CZ2 3.74Å; Y146-W188 AromaticContact CD1-CH2 3.68Å; Y146-W188 HydrophobicContact CD1-CH2 3.68Å; Y146-W188 AromaticContact CD1-CZ2 3.93Å; Y146-W188 HydrophobicContact CD1-CZ2 3.93Å; Y146-W188 HydrophobicContact CD1-CZ3 4.16Å; Y146-W188 HydrophobicContact CE1-CH2 4.39Å; Y146-W188 HydrophobicContact CG-CH2 4.3Å; Y146-W188 HydrophobicContact CG-CZ2 4.32Å; N182-W188 HydrophobicContact CB-CE3 3.91Å; N182-W188 HydrophobicContact CB-CH2 4.49Å; N182-W188 HydrophobicContact CB-CZ3 3.69Å; N182-W188 WeakPolarHBondContact ND2-CZ3 3.38Å; W184-W188 HydrophobicContact CB-CB 4.2Å; W184-W188 HydrophobicContact CB-CG 4.22Å; W184-W188 AromaticContact CE3-CD1 3.92Å; W184-W188 HydrophobicContact CE3-CD2 4.04Å; W184-W188 AromaticContact CE3-CE2 3.64Å; W184-W188 HydrophobicContact CE3-CG 4.21Å; W184-W188 HydrophobicContact CE3-CZ2 4.09Å; W184-W188 AromaticContact CE3-NE1 3.56Å; W184-W188 AromaticContact CZ3-CE2 3.97Å; W184-W188 HydrophobicContact CZ3-CZ2 4.07Å; W184-W188 AromaticContact CZ3-NE1 3.86Å; W184-W188 WeakPolarHBondContact O-CB 3.13Å; E186-W188 VanDerWaalsContact C-N 3.28Å; W188-E190 PolarHBondContact O-N 2.79Å; W188-G192 WeakPolarHBondContact O-CA 3.14Å; W188-G192 PolarHBondContact O-N 2.71Å; W188-F194 HydrophobicContact CH2-CB 3.78Å; W188-F194 AromaticContact CH2-CD1 3.83Å; W188-F194 HydrophobicContact CH2-CD1 3.83Å; W188-F194 AromaticContact CH2-CG 3.94Å; W188-F194 HydrophobicContact CH2-CG 3.94Å; W188-F194 HydrophobicContact CZ3-CB 3.78Å; W188-F194 AromaticContact CZ3-CD1 3.71Å; W188-F194 HydrophobicContact CZ3-CD1 3.71Å; W188-F194 HydrophobicContact CZ3-CG 4.08Å
189	G	97.7	Very high	98	Very high	19 Å²	19	31.9 Å²	31.9	20%	0.196	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-134.9	175	0	0	0	0	0	113.8	K147 N191	K147-G189 CarbonylContact O-C 3.59Å; K147-G189 VanDerWaalsContact O-C 3.23Å; K147-G189 WeakPolarHBondContact O-CA 3.02Å; G189-N191 PolarHBondContact O-N 3.25Å
190	E	98.3	Very high	98	Very high	47 Å²	47	38.5 Å²	38.5	22%	0.22	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-93.3	74.6	-179.1	-58.6	-177.1	145.3	0	0	110	Y146 S148 G149 W188 G192 N193 R195	Y146-E190 HydrophobicContact CE1-CG 4.24Å; Y146-E190 VanDerWaalsContact OH-CD 3.24Å; Y146-E190 PolarHBondContact OH-OE2 2.04Å; S148-E190 WeakPolarHBondContact CA-OE1 3.27Å; S148-E190 WeakPolarHBondContact CB-OE1 3.33Å; G149-E190 PolarHBondContact N-OE1 2.8Å; W188-E190 PolarHBondContact O-N 2.79Å; E190-G192 PolarHBondContact O-N 3.2Å; E190-N193 PolarHBondContact N-O 3.35Å; E190-N193 WeakPolarHBondContact O-CB 3.35Å; E190-N193 PolarHBondContact O-N 3.41Å; E190-N193 VanDerWaalsContact O-N 3.1Å; E190-N193 PolarHBondContact O-ND2 3.49Å; E190-R195 IonicContact OE1-CZ 3.3Å; E190-R195 IonicContact OE1-NE 2.98Å; E190-R195 PolarHBondContact OE1-NE 3.11Å; E190-R195 IonicContact OE1-NH2 3.68Å; E190-R195 PolarHBondContact OE1-NH2 2.04Å; E190-R195 IonicContact OE2-CZ 3.74Å; E190-R195 IonicContact OE2-NE 3.6Å; E190-R195 PolarHBondContact OE2-NE 2.59Å; E190-R195 IonicContact OE2-NH2 3.72Å
191	N	97.5	Very high	97.8	Very high	123 Å²	123	42.6 Å²	42.6	66%	0.658	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	47.1	-176.5	-170.3	52.7	0	0	0	112.5	E186 G189 N193	E186-N191 CarbonylContact O-C 3.48Å; E186-N191 VanDerWaalsContact O-C 3.24Å; E186-N191 WeakPolarHBondContact O-CA 3.08Å; G189-N191 PolarHBondContact O-N 3.25Å; N191-N193 VanDerWaalsContact C-N 3.28Å; N191-N193 PolarHBondContact O-N 2.83Å; N191-N193 PolarHBondContact O-ND2 3.46Å
192	G	98.1	Very high	97.8	Very high	8 Å²	8	43.3 Å²	43.3	8%	0.082	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	0.4	-174.7	0	0	0	0	0	114.8	N182 N185 E186 W188 E190	N182-G192 PolarHBondContact N-O 3.12Å; N185-G192 WeakPolarHBondContact O-CA 3.02Å; E186-G192 PolarHBondContact O-N 2.57Å; E186-G192 VanDerWaalsContact O-N 3.11Å; W188-G192 WeakPolarHBondContact O-CA 3.14Å; W188-G192 PolarHBondContact O-N 2.71Å; E190-G192 PolarHBondContact O-N 3.2Å
193	N	98.6	Very high	97.8	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	163.4	179	-49.5	-84.2	0	0	0	111.3	L179 I180 P181 E190 N191	L179-N193 HydrophobicContact CD1-CB 4.4Å; I180-N193 CarbonylContact O-C 3.24Å; I180-N193 VanDerWaalsContact O-CA 3.28Å; I180-N193 WeakPolarHBondContact O-CA 3.27Å; P181-N193 WeakPolarHBondContact CA-OD1 3.17Å; P181-N193 WeakPolarHBondContact CB-OD1 3.49Å; P181-N193 WeakPolarHBondContact CG-OD1 3.41Å; E190-N193 PolarHBondContact N-O 3.35Å; E190-N193 WeakPolarHBondContact O-CB 3.35Å; E190-N193 PolarHBondContact O-N 3.41Å; E190-N193 VanDerWaalsContact O-N 3.1Å; E190-N193 PolarHBondContact O-ND2 3.49Å; N191-N193 VanDerWaalsContact C-N 3.28Å; N191-N193 PolarHBondContact O-N 2.83Å; N191-N193 PolarHBondContact O-ND2 3.46Å
194	F	98.8	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	163.2	163	68.1	-77.7	0	0	0	110.5	F137 F143 Y146 I164 I180 N182 W188 I196	F137-F194 HydrophobicContact CE1-CZ 4.16Å; F137-F194 HydrophobicContact CZ-CE2 4.46Å; F137-F194 HydrophobicContact CZ-CZ 4.08Å; F143-F194 AromaticContact CE2-CD2 3.68Å; F143-F194 HydrophobicContact CE2-CD2 3.68Å; F143-F194 AromaticContact CE2-CE2 3.69Å; F143-F194 HydrophobicContact CE2-CE2 3.69Å; F143-F194 HydrophobicContact CE2-CG 4.13Å; F143-F194 HydrophobicContact CE2-CZ 4.14Å; F143-F194 HydrophobicContact CZ-CD1 4.17Å; F143-F194 HydrophobicContact CZ-CD2 4.05Å; F143-F194 HydrophobicContact CZ-CE1 4Å; F143-F194 AromaticContact CZ-CE2 3.91Å; F143-F194 HydrophobicContact CZ-CE2 3.91Å; F143-F194 HydrophobicContact CZ-CG 4.16Å; F143-F194 AromaticContact CZ-CZ 3.87Å; F143-F194 HydrophobicContact CZ-CZ 3.87Å; Y146-F194 HydrophobicContact CD1-CB 3.86Å; Y146-F194 HydrophobicContact CE1-CB 3.33Å; Y146-F194 HydrophobicContact CE2-CB 4.36Å; I164-F194 HydrophobicContact CG1-CZ 4.47Å; I164-F194 HydrophobicContact CG2-CE1 4.19Å; I164-F194 HydrophobicContact CG2-CZ 4.18Å; I180-F194 HydrophobicContact CB-CD1 3.93Å; I180-F194 HydrophobicContact CB-CD2 4.47Å; I180-F194 HydrophobicContact CB-CE1 3.61Å; I180-F194 HydrophobicContact CB-CE2 4.17Å; I180-F194 HydrophobicContact CB-CG 4.38Å; I180-F194 HydrophobicContact CB-CZ 3.74Å; I180-F194 HydrophobicContact CD1-CE1 4.45Å; I180-F194 HydrophobicContact CD1-CE2 3.71Å; I180-F194 HydrophobicContact CD1-CZ 3.68Å; I180-F194 HydrophobicContact CG1-CE2 4.47Å; I180-F194 HydrophobicContact CG1-CZ 4.31Å; I180-F194 HydrophobicContact CG2-CD1 3.92Å; I180-F194 HydrophobicContact CG2-CE1 3.17Å; I180-F194 HydrophobicContact CG2-CE2 4.33Å; I180-F194 HydrophobicContact CG2-CZ 3.43Å; I180-F194 VanDerWaalsContact CG2-CZ 3.43Å; I180-F194 PolarHBondContact N-O 2.85Å; I180-F194 WeakPolarHBondContact O-CD1 3.18Å; I180-F194 PolarHBondContact O-N 2.92Å; N182-F194 HydrophobicContact CB-CD1 4.07Å; N182-F194 HydrophobicContact CB-CE1 4.11Å; W188-F194 HydrophobicContact CH2-CB 3.78Å; W188-F194 AromaticContact CH2-CD1 3.83Å; W188-F194 HydrophobicContact CH2-CD1 3.83Å; W188-F194 AromaticContact CH2-CG 3.94Å; W188-F194 HydrophobicContact CH2-CG 3.94Å; W188-F194 HydrophobicContact CZ3-CB 3.78Å; W188-F194 AromaticContact CZ3-CD1 3.71Å; W188-F194 HydrophobicContact CZ3-CD1 3.71Å; W188-F194 HydrophobicContact CZ3-CG 4.08Å; F194-I196 HydrophobicContact CD2-CB 4.25Å; F194-I196 HydrophobicContact CE2-CB 4.07Å; F194-I196 HydrophobicContact CE2-CG2 4.16Å
195	R	98.8	Very high	98	Very high	30 Å²	30	38.9 Å²	38.9	11%	0.113	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.6	171.7	-64.5	174.7	-72.4	158.4	2.2	108.6	Y146 I150 Y151 E172 Y177 W178 L179 E190	Y146-R195 PolarHBondContact OH-N 2.9Å; I150-R195 CarbonylContact C-O 3.51Å; I150-R195 HydrophobicContact CG1-CB 4.31Å; Y151-R195 WeakPolarHBondContact CB-O 3.25Å; Y151-R195 PolarHBondContact N-O 3.4Å; E172-R195 IonicContact OE1-CZ 3.9Å; E172-R195 IonicContact OE1-NH1 3.79Å; E172-R195 PolarHBondContact OE1-NH1 3.37Å; E172-R195 IonicContact OE1-NH2 3.58Å; E172-R195 IonicContact OE2-CZ 3.04Å; E172-R195 IonicContact OE2-NH1 2.73Å; E172-R195 PolarHBondContact OE2-NH1 2.83Å; E172-R195 IonicContact OE2-NH2 3.95Å; Y177-R195 HydrophobicContact CD2-CB 3.92Å; Y177-R195 HydrophobicContact CD2-CG 3.66Å; Y177-R195 HydrophobicContact CE2-CG 3.92Å; Y177-R195 HydrophobicContact CG-CB 4.09Å; Y177-R195 HydrophobicContact CG-CG 4.27Å; W178-R195 VanDerWaalsContact O-CA 3.25Å; W178-R195 WeakPolarHBondContact O-CA 3.47Å; L179-R195 HydrophobicContact CD1-CG 4.1Å; E190-R195 IonicContact OE1-CZ 3.3Å; E190-R195 IonicContact OE1-NE 2.98Å; E190-R195 PolarHBondContact OE1-NE 3.11Å; E190-R195 IonicContact OE1-NH2 3.68Å; E190-R195 PolarHBondContact OE1-NH2 2.04Å; E190-R195 IonicContact OE2-CZ 3.74Å; E190-R195 IonicContact OE2-NE 3.6Å; E190-R195 PolarHBondContact OE2-NE 2.59Å; E190-R195 IonicContact OE2-NH2 3.72Å
196	I	98.8	Very high	98.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.7	178.7	-174.2	168.5	0	0	0	110	F137 Y151 Y177 W178 I180 F194 R198 E202 C203 I205	F137-I196 HydrophobicContact CD2-CD1 4.19Å; Y151-I196 HydrophobicContact CD1-CD1 3.78Å; Y151-I196 HydrophobicContact CD1-CG1 3.89Å; Y151-I196 HydrophobicContact CE1-CD1 4.25Å; Y151-I196 WeakPolarHBondContact O-CA 3.46Å; Y177-I196 CarbonylContact C-O 3.44Å; Y177-I196 WeakPolarHBondContact CA-O 3.45Å; Y177-I196 WeakPolarHBondContact CB-O 3.22Å; W178-I196 HydrophobicContact CB-CG2 3.95Å; W178-I196 PolarHBondContact N-O 2.78Å; W178-I196 PolarHBondContact O-N 3.27Å; I180-I196 HydrophobicContact CD1-CG2 3.47Å; I180-I196 VanDerWaalsContact CD1-CG2 3.47Å; F194-I196 HydrophobicContact CD2-CB 4.25Å; F194-I196 HydrophobicContact CE2-CB 4.07Å; F194-I196 HydrophobicContact CE2-CG2 4.16Å; I196-R198 PolarHBondContact O-N 2.87Å; I196-E202 HydrophobicContact CD1-CB 4.46Å; I196-E202 HydrophobicContact CD1-CG 4.12Å; I196-E202 HydrophobicContact CG1-CB 4.26Å; I196-E202 HydrophobicContact CG1-CG 3.93Å; I196-C203 HydrophobicContact CD1-CB 4.38Å; I196-I205 HydrophobicContact CD1-CB 4.34Å; I196-I205 HydrophobicContact CD1-CG1 4.49Å; I196-I205 HydrophobicContact CG2-CD1 4.43Å; I196-I205 HydrophobicContact CG2-CG1 4.01Å
197	L	98.8	Very high	98.1	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	127.9	179.8	-176.7	65	0	0	0	111.4	I150 Y151 T175 R200 E202	I150-L197 HydrophobicContact CG2-CB 4.36Å; Y151-L197 PolarHBondContact O-N 2.95Å; T175-L197 HydrophobicContact CG2-CD1 3.74Å; L197-R200 HydrophobicContact CD2-CB 4.45Å; L197-E202 HydrophobicContact CB-CB 3.97Å; L197-E202 HydrophobicContact CB-CG 4.02Å; L197-E202 WeakPolarHBondContact O-CB 3.45Å
198	R	98.7	Very high	98.1	Very high	18 Å²	18	40 Å²	40	7%	0.068	21%	0.208	C	C	.	.			trans	-104.7	150.7	-179.5	167.3	171.9	54.7	84.9	0.1	111.9	E120 G170 P176 Y177 W178 I196	E120-R198 HydrophobicContact CG-CG 3.88Å; E120-R198 IonicContact OE1-CZ 3.62Å; E120-R198 IonicContact OE1-NH1 2.57Å; E120-R198 PolarHBondContact OE1-NH1 2.64Å; G170-R198 PolarHBondContact O-NH2 3.1Å; P176-R198 HydrophobicContact CB-CB 4.29Å; P176-R198 VanDerWaalsContact CB-NH2 3.33Å; P176-R198 WeakPolarHBondContact CG-O 3.31Å; P176-R198 PolarHBondContact O-N 3.06Å; Y177-R198 PolarHBondContact O-NE 3.41Å; W178-R198 HydrophobicContact CD2-CB 4.18Å; W178-R198 HydrophobicContact CD2-CG 3.99Å; W178-R198 VanDerWaalsContact CE2-CD 3.4Å; W178-R198 VanDerWaalsContact CE2-CG 3.42Å; W178-R198 HydrophobicContact CG-CB 4.04Å; W178-R198 HydrophobicContact CG-CG 4.37Å; W178-R198 HydrophobicContact CH2-CG 4.33Å; W178-R198 VanDerWaalsContact CZ2-CD 3.43Å; W178-R198 HydrophobicContact CZ2-CG 3.62Å; I196-R198 PolarHBondContact O-N 2.87Å
199	G	98.1	Very high	98.1	Very high	32 Å²	32	40.1 Å²	40.1	33%	0.33	21%	0.209	S	C	.	.	S	Bend	trans	83	15.4	172.1	0	0	0	0	0	113.7	E206	G199-E206 PolarHBondContact N-OE1 3.31Å
200	R	97.7	Very high	98.1	Very high	196 Å²	196	39.6 Å²	39.6	74%	0.74	20%	0.202	S	C	*	.	S	Bend	trans	-135.9	11.6	-179.5	-64.5	-160.1	179.6	-162	-1.6	113.5	L197 E202	L197-R200 HydrophobicContact CD2-CB 4.45Å; R200-E202 PolarHBondContact O-N 3.14Å
201	H	96.1	Very high	98.2	Very high	86 Å²	86	37.4 Å²	37.4	40%	0.398	19%	0.191	S	C	.	.			trans	49.4	37.4	-171.7	-47.9	-70.8	0	0	0	112.5	N118 C203 S204 E206	N118-H201 PolarHBondContact OD1-CE1 3.09Å; N118-H201 PolarHBondContact OD1-ND1 2.68Å; H201-C203 PolarHBondContact O-N 3.28Å; H201-S204 WeakPolarHBondContact O-CA 3.07Å; H201-S204 PolarHBondContact O-N 3.41Å; H201-E206 WeakPolarHBondContact CA-OE2 3.11Å; H201-E206 IonicContact CE1-OE2 2.81Å; H201-E206 IonicContact CG-OE2 3.88Å; H201-E206 PolarHBondContact N-OE2 3.16Å; H201-E206 WeakPolarHBondContact ND1-CB 3.43Å; H201-E206 IonicContact ND1-OE2 2.66Å; H201-E206 PolarHBondContact ND1-OE2 2.89Å
202	E	98.3	Very high	98.2	Very high	32 Å²	32	31.5 Å²	31.5	15%	0.15	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-53.8	124.4	-178.9	-177.1	64.5	-156.7	0	0	109.3	K152 H153 I196 L197 R200 S204 I205	K152-E202 WeakPolarHBondContact CA-OE1 3.3Å; H153-E202 PolarHBondContact N-OE1 3.01Å; I196-E202 HydrophobicContact CD1-CB 4.46Å; I196-E202 HydrophobicContact CD1-CG 4.12Å; I196-E202 HydrophobicContact CG1-CB 4.26Å; I196-E202 HydrophobicContact CG1-CG 3.93Å; L197-E202 HydrophobicContact CB-CB 3.97Å; L197-E202 HydrophobicContact CB-CG 4.02Å; L197-E202 WeakPolarHBondContact O-CB 3.45Å; R200-E202 PolarHBondContact O-N 3.14Å; E202-S204 PolarHBondContact O-N 3.31Å; E202-I205 VanDerWaalsContact O-CB 3.27Å; E202-I205 WeakPolarHBondContact O-CB 3.49Å; E202-I205 WeakPolarHBondContact O-CG2 3.29Å; E202-I205 PolarHBondContact O-N 2.88Å
203	C	98.2	Very high	98.2	Very high	12 Å²	12	33 Å²	33	8%	0.081	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	51.6	28.8	-175.2	-58	0	0	0	0	114.1	F137 I138 Y140 I196 H201 I205	F137-C203 CarbonylContact C-O 3.59Å; F137-C203 VanDerWaalsContact CA-O 3.29Å; F137-C203 WeakPolarHBondContact CA-O 3.08Å; F137-C203 HydrophobicContact CB-CB 4.29Å; F137-C203 WeakPolarHBondContact CB-O 3.49Å; F137-C203 HydrophobicContact CD2-CB 4Å; I138-C203 HydrophobicContact CB-CB 4.4Å; I138-C203 PolarHBondContact N-O 3.26Å; I138-C203 WeakPolarHBondContact O-CB 3.46Å; Y140-C203 HydrophobicContact CE2-CB 4.38Å; I196-C203 HydrophobicContact CD1-CB 4.38Å; H201-C203 PolarHBondContact O-N 3.28Å; C203-I205 PolarHBondContact O-N 3.35Å
204	S	98.1	Very high	98.2	Very high	33 Å²	33	32.4 Å²	32.4	23%	0.231	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	63.1	17.3	-174.7	-54.9	0	0	0	0	116	H201 E202 E206 S207	H201-S204 WeakPolarHBondContact O-CA 3.07Å; H201-S204 PolarHBondContact O-N 3.41Å; E202-S204 PolarHBondContact O-N 3.31Å; S204-E206 PolarHBondContact O-N 3.01Å; S204-S207 VanDerWaalsContact O-CB 3.27Å; S204-S207 WeakPolarHBondContact O-CB 3.13Å; S204-S207 PolarHBondContact O-N 3.33Å; S204-S207 PolarHBondContact O-OG 2.03Å
205	I	98.5	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.5	-174.8	-168.2	68.1	0	0	0	115	N136 F137 I164 I166 I180 I196 E202 C203	N136-I205 WeakPolarHBondContact O-CA 3.46Å; F137-I205 HydrophobicContact CB-CB 4.12Å; F137-I205 HydrophobicContact CB-CD1 3.58Å; F137-I205 HydrophobicContact CB-CG1 4.45Å; F137-I205 HydrophobicContact CD1-CD1 4.12Å; F137-I205 HydrophobicContact CG-CD1 3.91Å; I164-I205 HydrophobicContact CD1-CD1 3.91Å; I164-I205 HydrophobicContact CG1-CD1 4.01Å; I166-I205 HydrophobicContact CD1-CG1 4.47Å; I180-I205 HydrophobicContact CD1-CD1 3.82Å; I180-I205 HydrophobicContact CD1-CG1 4.24Å; I196-I205 HydrophobicContact CD1-CB 4.34Å; I196-I205 HydrophobicContact CD1-CG1 4.49Å; I196-I205 HydrophobicContact CG2-CD1 4.43Å; I196-I205 HydrophobicContact CG2-CG1 4.01Å; E202-I205 VanDerWaalsContact O-CB 3.27Å; E202-I205 WeakPolarHBondContact O-CB 3.49Å; E202-I205 WeakPolarHBondContact O-CG2 3.29Å; E202-I205 PolarHBondContact O-N 2.88Å; C203-I205 PolarHBondContact O-N 3.35Å
206	E	98.5	Very high	96.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-8.9	-179.4	-74.3	150.6	-168.6	0	0	112.8	N118 I123 W178 G199 H201 S204	N118-E206 WeakPolarHBondContact CA-O 3.29Å; N118-E206 VanDerWaalsContact CG-O 3.28Å; N118-E206 VanDerWaalsContact OD1-C 3.24Å; N118-E206 WeakPolarHBondContact OD1-CB 3.33Å; N118-E206 PolarHBondContact OD1-O 3.24Å; I123-E206 HydrophobicContact CD1-CB 3.82Å; I123-E206 HydrophobicContact CD1-CG 3.75Å; W178-E206 HydrophobicContact CZ2-CG 4.18Å; W178-E206 PolarHBondContact NE1-OE1 3.33Å; G199-E206 PolarHBondContact N-OE1 3.31Å; H201-E206 WeakPolarHBondContact CA-OE2 3.11Å; H201-E206 IonicContact CE1-OE2 2.81Å; H201-E206 IonicContact CG-OE2 3.88Å; H201-E206 PolarHBondContact N-OE2 3.16Å; H201-E206 WeakPolarHBondContact ND1-CB 3.43Å; H201-E206 IonicContact ND1-OE2 2.66Å; H201-E206 PolarHBondContact ND1-OE2 2.89Å; S204-E206 PolarHBondContact O-N 3.01Å
207	S	97.5	Very high	96.9	Very high	48 Å²	48	45.1 Å²	45.1	34%	0.336	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-35.1	-168.9	-60.1	0	0	0	0	113.7	S204	S204-S207 VanDerWaalsContact O-CB 3.27Å; S204-S207 WeakPolarHBondContact O-CB 3.13Å; S204-S207 PolarHBondContact O-N 3.33Å; S204-S207 PolarHBondContact O-OG 2.03Å
208	E	96.7	Very high	96.8	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.444	23%	0.229	S	C	.	.	S	Bend	trans	-129	71.2	-175.1	-68.1	-171.7	178.2	0	0	110.7	A135 N136	A135-E208 VanDerWaalsContact CA-O 3.3Å; A135-E208 WeakPolarHBondContact CA-O 3.36Å; N136-E208 HydrophobicContact CB-CB 4.09Å; N136-E208 PolarHBondContact N-O 2.87Å; N136-E208 PolarHBondContact ND2-OE2 3.08Å
209	V	98.5	Very high	96.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.1	177	-176.8	0	0	0	0	109.4	N115 V116 I123 V133 E134 A135	N115-V209 CarbonylContact C-O 3.56Å; N115-V209 WeakPolarHBondContact CA-O 3.49Å; V116-V209 HydrophobicContact CB-CB 3.96Å; V116-V209 HydrophobicContact CB-CG1 3.79Å; V116-V209 HydrophobicContact CG2-CB 4.38Å; V116-V209 HydrophobicContact CG2-CG1 3.74Å; V116-V209 PolarHBondContact N-O 3.01Å; I123-V209 HydrophobicContact CD1-CG2 3.78Å; I123-V209 HydrophobicContact CG1-CB 4.49Å; I123-V209 HydrophobicContact CG1-CG2 4.07Å; V133-V209 HydrophobicContact CB-CG1 3.76Å; V133-V209 HydrophobicContact CG1-CG1 4.32Å; V133-V209 HydrophobicContact CG2-CG1 3.54Å; E134-V209 CarbonylContact O-C 3.6Å; E134-V209 WeakPolarHBondContact O-CA 3.46Å; A135-V209 HydrophobicContact CB-CG2 3.9Å
210	T	98.5	Very high	96.6	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.6	179.6	-52.7	0	0	0	0	111	W42 E134	W42-T210 HydrophobicContact CB-CG2 4.21Å; W42-T210 HydrophobicContact CD2-CG2 4.34Å; W42-T210 HydrophobicContact CG-CG2 3.73Å; E134-T210 PolarHBondContact N-O 3.32Å; E134-T210 PolarHBondContact O-N 2.72Å
211	A	98.6	Very high	96.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	-177.6	177.2	0	0	0	0	0	111.5	W42 R113 Y114 V116 E126 V133	W42-A211 VanDerWaalsContact CE3-C 3.43Å; R113-A211 CarbonylContact C-O 3.6Å; R113-A211 WeakPolarHBondContact CA-O 3.29Å; Y114-A211 HydrophobicContact CD2-CB 4.44Å; Y114-A211 HydrophobicContact CE2-CB 3.9Å; Y114-A211 PolarHBondContact N-O 3.11Å; Y114-A211 PolarHBondContact O-N 2.98Å; Y114-A211 VanDerWaalsContact O-O 3.1Å; V116-A211 HydrophobicContact CG2-CB 4.09Å; E126-A211 HydrophobicContact CG-CB 4.44Å; V133-A211 HydrophobicContact CG1-CB 3.96Å
212	G	98.3	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	172.8	178.5	0	0	0	0	0	111.9	R4 W42 S112	R4-G212 VanDerWaalsContact CD-O 3.22Å; R4-G212 WeakPolarHBondContact CD-O 3.11Å; R4-G212 PolarHBondContact NH1-O 3.35Å; W42-G212 VanDerWaalsContact CE3-N 3.35Å; S112-G212 CarbonylContact O-C 3.56Å; S112-G212 WeakPolarHBondContact O-CA 3.47Å
213	R	98.5	Very high	96.4	Very high	38 Å²	38	36.9 Å²	36.9	14%	0.143	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.3	-175.1	-61.3	172.8	64.3	-163.8	-2.4	111.4	K111 S112 Y114 Y130 N215 E216	K111-R213 WeakPolarHBondContact CA-O 3.08Å; K111-R213 WeakPolarHBondContact CB-O 3.23Å; K111-R213 PolarHBondContact N-O 3.17Å; S112-R213 PolarHBondContact N-O 2.95Å; S112-R213 PolarHBondContact O-N 2.68Å; Y114-R213 HydrophobicContact CE1-CG 3.85Å; Y114-R213 WeakPolarHBondContact OH-CD 3.46Å; Y114-R213 VanDerWaalsContact OH-CG 3.25Å; Y114-R213 WeakPolarHBondContact OH-CG 3.49Å; Y130-R213 VanDerWaalsContact CE1-CZ 3.5Å; R213-N215 WeakPolarHBondContact CB-O 3.37Å; R213-N215 PolarHBondContact NE-O 2.95Å; R213-N215 PolarHBondContact NH2-O 3.15Å; R213-E216 VanDerWaalsContact CZ-C 3.45Å; R213-E216 PolarHBondContact NH1-OXT 2.75Å; R213-E216 PolarHBondContact NH2-O 3.07Å; R213-E216 PolarHBondContact NH2-OXT 3.08Å
214	I	98	Very high	96.2	Very high	28 Å²	28	38.8 Å²	38.8	14%	0.144	20%	0.198	C	C	.	.	S	Bend	trans	-88.8	-13.2	174.2	71.8	178.9	0	0	0	112.6	Q8 W45 K111	Q8-I214 HydrophobicContact CB-CD1 3.75Å; Q8-I214 HydrophobicContact CB-CG1 3.68Å; W45-I214 HydrophobicContact CH2-CG2 3.66Å; W45-I214 HydrophobicContact CZ2-CG2 3.6Å; K111-I214 WeakPolarHBondContact CB-O 3.49Å
215	N	94.2	Very high	96.1	Very high	62 Å²	62	39.3 Å²	39.3	33%	0.332	20%	0.196	S	C	.	.			trans	-144.4	167.2	-179.4	52	35.2	0	0	0	111.8	Q8 R213	Q8-N215 PolarHBondContact O-ND2 3.37Å; R213-N215 WeakPolarHBondContact CB-O 3.37Å; R213-N215 PolarHBondContact NE-O 2.95Å; R213-N215 PolarHBondContact NH2-O 3.15Å
216	E	77.4	Confident	95.9	Very high	189 Å²	189	42.8 Å²	42.8	88%	0.883	21%	0.213	S	C	*	.			trans	-69.6	0	179.6	-108.3	168.2	-125.7	0	0	113.6	K111 R213	K111-E216 VanDerWaalsContact NZ-CG 3.32Å; K111-E216 IonicContact NZ-OE1 3.34Å; K111-E216 PolarHBondContact NZ-OE1 2.8Å; R213-E216 VanDerWaalsContact CZ-C 3.45Å; R213-E216 PolarHBondContact NH1-OXT 2.75Å; R213-E216 PolarHBondContact NH2-O 3.07Å; R213-E216 PolarHBondContact NH2-OXT 3.08Å

Retrieved 216 of 216 residues in 227.9 ms (Link to these results)

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