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Peptidyl-prolyl cis-trans isomerase E

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession Q26548, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74	Confident	77.6	Confident	134 Å²	134	115.4 Å²	115.4	66%	0.66	54%	0.536	S	S	*	.				0	134.8	0	-73.2	176.2	70.5	0	0	109.5	M3 H10 A14	M1-M3 PolarHBondContact O-N 3.02Å; M1-H10 HydrophobicContact CE-CB 3.98Å; M1-A14 HydrophobicContact CE-CB 4.41Å; M1-A14 HydrophobicContact CG-CB 3.62Å; M1-A14 HydrophobicContact SD-CB 4.34Å
2	P	74.9	Confident	78.3	Confident	37 Å²	37	111.9 Å²	111.9	24%	0.24	56%	0.555	C	S	.	*			trans	-60	125	176.3	-27.6	39.7	0	0	0	111.8	R11 F13 F15	P2-R11 PolarHBondContact O-N 3.26Å; P2-F13 HydrophobicContact CB-CE1 4.39Å; P2-F13 HydrophobicContact CB-CE2 4.25Å; P2-F13 HydrophobicContact CB-CZ 3.9Å; P2-F13 WeakPolarHBondContact CD-O 3.45Å; P2-F13 HydrophobicContact CG-CD2 4.19Å; P2-F13 HydrophobicContact CG-CE2 3.56Å; P2-F13 HydrophobicContact CG-CZ 3.74Å; P2-F15 HydrophobicContact CG-CD2 4.28Å; P2-F15 HydrophobicContact CG-CE2 4Å
3	M	75.9	Confident	79.1	Confident	75 Å²	75	110.8 Å²	110.8	37%	0.369	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	148.5	177	-78.4	-164.3	-73.1	0	0	111.6	M1 Y5 R11	M1-M3 PolarHBondContact O-N 3.02Å; M3-Y5 HydrophobicContact CE-CE1 4.31Å; M3-R11 PolarHBondContact O-NE 3.31Å; M3-R11 VanDerWaalsContact O-NE 3.16Å
4	D	73.3	Confident	79.7	Confident	47 Å²	47	106.6 Å²	106.6	25%	0.251	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.2	159.4	175.7	12.1	0	0	0	108	Q6 T7 E8 K9 R11	D4-Q6 PolarHBondContact O-N 3.1Å; D4-Q6 PolarHBondContact OD1-N 2.9Å; D4-Q6 VanDerWaalsContact OD1-N 3.17Å; D4-T7 WeakPolarHBondContact CB-OG1 3.49Å; D4-T7 VanDerWaalsContact CG-OG1 3.25Å; D4-T7 PolarHBondContact O-N 2.87Å; D4-T7 WeakPolarHBondContact OD2-CG2 3.46Å; D4-T7 PolarHBondContact OD2-OG1 2.78Å; D4-E8 WeakPolarHBondContact O-CA 3.29Å; D4-E8 PolarHBondContact O-N 2.86Å; D4-K9 PolarHBondContact N-O 3.16Å; D4-K9 PolarHBondContact O-N 3.48Å; D4-R11 HydrophobicContact CB-CG 4.21Å
5	Y	70.2	Confident	80.5	Confident	162 Å²	162	109.2 Å²	109.2	64%	0.635	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.3	-174.6	-67.9	-78.3	0	0	0	113.4	M3	M3-Y5 HydrophobicContact CE-CE1 4.31Å
6	Q	75	Confident	81	Confident	183 Å²	183	109.5 Å²	109.5	86%	0.855	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-36.2	173.1	-69.4	-174.8	-12.5	0	0	111.7	D4	D4-Q6 PolarHBondContact O-N 3.1Å; D4-Q6 PolarHBondContact OD1-N 2.9Å; D4-Q6 VanDerWaalsContact OD1-N 3.17Å
7	T	85.4	Confident	81.5	Confident	74 Å²	74	114.3 Å²	114.3	45%	0.454	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.7	-6.8	-175.8	59.7	0	0	0	0	113.4	D4 K9	D4-T7 WeakPolarHBondContact CB-OG1 3.49Å; D4-T7 VanDerWaalsContact CG-OG1 3.25Å; D4-T7 PolarHBondContact O-N 2.87Å; D4-T7 WeakPolarHBondContact OD2-CG2 3.46Å; D4-T7 PolarHBondContact OD2-OG1 2.78Å; T7-K9 PolarHBondContact O-N 3.45Å
8	E	77.9	Confident	81.8	Confident	166 Å²	166	113 Å²	113	78%	0.776	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.2	17	-169	-62.1	-172	156.9	0	0	113.9	D4	D4-E8 WeakPolarHBondContact O-CA 3.29Å; D4-E8 PolarHBondContact O-N 2.86Å
9	K	79.7	Confident	82.3	Confident	151 Å²	151	116.9 Å²	116.9	66%	0.657	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.2	156.1	-179.7	-72.1	179.6	-175.2	-179.5	0	111.2	D4 T7	D4-K9 PolarHBondContact N-O 3.16Å; D4-K9 PolarHBondContact O-N 3.48Å; T7-K9 PolarHBondContact O-N 3.45Å
10	H	84.8	Confident	82.6	Confident	106 Å²	106	116.9 Å²	116.9	49%	0.491	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	145	177.5	-54.9	2	0	0	0	109.9	M1 G12	M1-H10 HydrophobicContact CE-CB 3.98Å; H10-G12 PolarHBondContact O-N 2.93Å
11	R	82.3	Confident	82.9	Confident	134 Å²	134	116.3 Å²	116.3	51%	0.506	58%	0.581	S	S	.	*			trans	-73.5	12.9	-176.9	-63.5	-174.5	179.9	-161.6	-2.3	114.7	P2 M3 D4 F13	P2-R11 PolarHBondContact O-N 3.26Å; M3-R11 PolarHBondContact O-NE 3.31Å; M3-R11 VanDerWaalsContact O-NE 3.16Å; D4-R11 HydrophobicContact CB-CG 4.21Å; R11-F13 VanDerWaalsContact C-N 3.32Å; R11-F13 HydrophobicContact CB-CD1 3.88Å; R11-F13 HydrophobicContact CB-CE1 3.58Å; R11-F13 WeakPolarHBondContact O-CD1 3.41Å; R11-F13 PolarHBondContact O-N 2.71Å
12	G	85.7	Confident	83.7	Confident	74 Å²	74	117.3 Å²	117.3	76%	0.763	58%	0.584	S	S	*	*	S	Bend	trans	75.5	12.2	179.4	0	0	0	0	0	115.4	H10	H10-G12 PolarHBondContact O-N 2.93Å
13	F	89.2	Confident	84.6	Confident	97 Å²	97	120 Å²	120	43%	0.425	60%	0.596	S	S	.	*			trans	-141.3	163.6	172.9	70.1	-83.5	0	0	0	112	P2 R11 F15	P2-F13 HydrophobicContact CB-CE1 4.39Å; P2-F13 HydrophobicContact CB-CE2 4.25Å; P2-F13 HydrophobicContact CB-CZ 3.9Å; P2-F13 WeakPolarHBondContact CD-O 3.45Å; P2-F13 HydrophobicContact CG-CD2 4.19Å; P2-F13 HydrophobicContact CG-CE2 3.56Å; P2-F13 HydrophobicContact CG-CZ 3.74Å; R11-F13 VanDerWaalsContact C-N 3.32Å; R11-F13 HydrophobicContact CB-CD1 3.88Å; R11-F13 HydrophobicContact CB-CE1 3.58Å; R11-F13 WeakPolarHBondContact O-CD1 3.41Å; R11-F13 PolarHBondContact O-N 2.71Å; F13-F15 HydrophobicContact CD2-CE2 4.24Å; F13-F15 HydrophobicContact CD2-CZ 4.37Å; F13-F15 AromaticContact CE2-CE2 3.7Å; F13-F15 HydrophobicContact CE2-CE2 3.7Å; F13-F15 AromaticContact CE2-CZ 3.87Å; F13-F15 HydrophobicContact CE2-CZ 3.87Å
14	A	88	Confident	85.3	Confident	52 Å²	52	117.7 Å²	117.7	43%	0.43	59%	0.589	S	S	.	*			trans	-139	159.9	-179.7	0	0	0	0	0	110.5	M1	M1-A14 HydrophobicContact CE-CB 4.41Å; M1-A14 HydrophobicContact CG-CB 3.62Å; M1-A14 HydrophobicContact SD-CB 4.34Å
15	F	90.7	Very high	86.1	Confident	146 Å²	146	120.6 Å²	120.6	64%	0.64	60%	0.602	S	S	*	*			trans	-111.2	134.1	163.4	-62.5	-79.1	0	0	0	107.1	P2 F13 A46	P2-F15 HydrophobicContact CG-CD2 4.28Å; P2-F15 HydrophobicContact CG-CE2 4Å; F13-F15 HydrophobicContact CD2-CE2 4.24Å; F13-F15 HydrophobicContact CD2-CZ 4.37Å; F13-F15 AromaticContact CE2-CE2 3.7Å; F13-F15 HydrophobicContact CE2-CE2 3.7Å; F13-F15 AromaticContact CE2-CZ 3.87Å; F13-F15 HydrophobicContact CE2-CZ 3.87Å; F15-A46 HydrophobicContact CD1-CB 4.18Å; F15-A46 HydrophobicContact CE1-CB 4.28Å
16	V	89	Confident	87.2	Confident	114 Å²	114	115.9 Å²	115.9	69%	0.691	59%	0.593	S	S	*	*			trans	-120	129.4	176.3	-176.1	0	0	0	0	106.5	F18	V16-F18 HydrophobicContact CB-CE2 4.41Å; V16-F18 HydrophobicContact CG1-CD2 4.11Å; V16-F18 HydrophobicContact CG1-CE2 3.66Å; V16-F18 HydrophobicContact CG1-CZ 4.41Å
17	E	89.1	Confident	88	Confident	191 Å²	191	108.3 Å²	108.3	89%	0.893	56%	0.562	S	S	*	*			trans	-109.1	128.7	179.8	-165	166.3	-151.6	0	0	107.8
18	F	87.9	Confident	88.4	Confident	91 Å²	91	106.5 Å²	106.5	40%	0.399	55%	0.549	S	S	.	.			trans	-106.2	148.1	176	-78.1	-102.3	0	0	0	108.4	V16 D23 A24 A27	V16-F18 HydrophobicContact CB-CE2 4.41Å; V16-F18 HydrophobicContact CG1-CD2 4.11Å; V16-F18 HydrophobicContact CG1-CE2 3.66Å; V16-F18 HydrophobicContact CG1-CZ 4.41Å; F18-D23 HydrophobicContact CD1-CB 3.66Å; F18-D23 HydrophobicContact CE1-CB 4.21Å; F18-A24 HydrophobicContact CB-CB 3.85Å; F18-A24 HydrophobicContact CD2-CB 4Å; F18-A24 HydrophobicContact CG-CB 3.97Å; F18-A27 HydrophobicContact CE1-CB 4.05Å; F18-A27 HydrophobicContact CE2-CB 3.96Å; F18-A27 HydrophobicContact CZ-CB 3.42Å; F18-A27 VanDerWaalsContact CZ-CB 3.42Å
19	E	89.7	Confident	89	Confident	188 Å²	188	104.9 Å²	104.9	88%	0.879	55%	0.546	S	S	*	.	S	Bend	trans	-68	-45.7	175	-169.1	167	-161.7	0	0	110.5
20	E	89.8	Confident	89.6	Confident	115 Å²	115	103.8 Å²	103.8	54%	0.537	55%	0.547	S	S	.	.	S	Bend	trans	-104.9	141.2	179.9	-64.8	-59.3	151.5	0	0	112.5	E22 D23 A24	E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.26Å; E20-D23 HydrophobicContact CB-CB 4.45Å; E20-D23 PolarHBondContact O-N 2.93Å; E20-A24 PolarHBondContact O-N 3.13Å
21	V	88.8	Confident	90	Very high	106 Å²	106	102.6 Å²	102.6	64%	0.642	54%	0.542	S	S	*	.	H	α-helix	trans	-68.5	-35.1	-179.5	-179.2	0	0	0	0	111.4	A24 M25	V21-A24 WeakPolarHBondContact O-CB 3.46Å; V21-A24 PolarHBondContact O-N 3.29Å; V21-M25 HydrophobicContact CG1-CG 4.45Å; V21-M25 HydrophobicContact CG1-SD 4.4Å; V21-M25 WeakPolarHBondContact O-CG 3.21Å; V21-M25 PolarHBondContact O-N 2.8Å
22	E	90.8	Very high	90.4	Very high	155 Å²	155	98.9 Å²	98.9	72%	0.724	53%	0.533	S	S	*	.	H	α-helix	trans	-64.6	-39.6	179.2	-70.7	175.3	174.7	0	0	111.9	E20 M25 S26	E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.26Å; E22-M25 PolarHBondContact O-N 2.87Å; E22-S26 WeakPolarHBondContact O-CB 3.37Å; E22-S26 PolarHBondContact O-N 3.49Å; E22-S26 PolarHBondContact O-OG 3.42Å
23	D	93.1	Very high	90.6	Very high	93 Å²	93	102.4 Å²	102.4	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-40.7	174.5	-71.9	-15.5	0	0	0	111.1	F18 E20 M25 S26 A27	F18-D23 HydrophobicContact CD1-CB 3.66Å; F18-D23 HydrophobicContact CE1-CB 4.21Å; E20-D23 HydrophobicContact CB-CB 4.45Å; E20-D23 PolarHBondContact O-N 2.93Å; D23-M25 VanDerWaalsContact C-N 3.34Å; D23-M25 PolarHBondContact O-N 2.83Å; D23-S26 PolarHBondContact O-N 3.05Å; D23-A27 VanDerWaalsContact O-CB 3.32Å; D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.37Å
24	A	91.2	Very high	90.7	Very high	26 Å²	26	99.1 Å²	99.1	22%	0.215	52%	0.518	C	S	.	.	H	α-helix	trans	-60.8	-43.2	175.8	0	0	0	0	0	111.9	F18 E20 V21 A27 I28	F18-A24 HydrophobicContact CB-CB 3.85Å; F18-A24 HydrophobicContact CD2-CB 4Å; F18-A24 HydrophobicContact CG-CB 3.97Å; E20-A24 PolarHBondContact O-N 3.13Å; V21-A24 WeakPolarHBondContact O-CB 3.46Å; V21-A24 PolarHBondContact O-N 3.29Å; A24-A27 PolarHBondContact O-N 3.14Å; A24-I28 WeakPolarHBondContact O-CD1 3.41Å; A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.38Å; A24-I28 PolarHBondContact O-N 2.86Å
25	M	90	Very high	90.7	Very high	109 Å²	109	103.5 Å²	103.5	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-44.1	178.2	-71.1	-172.7	70.5	0	0	111.5	V21 E22 D23 A27 I28 D29	V21-M25 HydrophobicContact CG1-CG 4.45Å; V21-M25 HydrophobicContact CG1-SD 4.4Å; V21-M25 WeakPolarHBondContact O-CG 3.21Å; V21-M25 PolarHBondContact O-N 2.8Å; E22-M25 PolarHBondContact O-N 2.87Å; D23-M25 VanDerWaalsContact C-N 3.34Å; D23-M25 PolarHBondContact O-N 2.83Å; M25-A27 VanDerWaalsContact C-N 3.28Å; M25-A27 PolarHBondContact O-N 2.88Å; M25-I28 WeakPolarHBondContact O-CB 3.47Å; M25-I28 PolarHBondContact O-N 2.86Å; M25-I28 VanDerWaalsContact O-N 3.13Å; M25-D29 PolarHBondContact O-N 2.8Å
26	S	93.1	Very high	90.5	Very high	62 Å²	62	99.6 Å²	99.6	43%	0.434	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-38.6	175.9	-56.9	0	0	0	0	111.7	E22 D23 N30	E22-S26 WeakPolarHBondContact O-CB 3.37Å; E22-S26 PolarHBondContact O-N 3.49Å; E22-S26 PolarHBondContact O-OG 3.42Å; D23-S26 PolarHBondContact O-N 3.05Å; S26-N30 WeakPolarHBondContact O-CB 3.35Å; S26-N30 PolarHBondContact O-N 2.9Å; S26-N30 VanDerWaalsContact O-N 3.13Å; S26-N30 PolarHBondContact O-ND2 3.43Å
27	A	92.7	Very high	90.2	Very high	25 Å²	25	104 Å²	104	21%	0.207	53%	0.525	C	S	.	.	H	α-helix	trans	-66.7	-40.3	174.9	0	0	0	0	0	111.9	F18 D23 A24 M25 M31	F18-A27 HydrophobicContact CE1-CB 4.05Å; F18-A27 HydrophobicContact CE2-CB 3.96Å; F18-A27 HydrophobicContact CZ-CB 3.42Å; F18-A27 VanDerWaalsContact CZ-CB 3.42Å; D23-A27 VanDerWaalsContact O-CB 3.32Å; D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.37Å; A24-A27 PolarHBondContact O-N 3.14Å; M25-A27 VanDerWaalsContact C-N 3.28Å; M25-A27 PolarHBondContact O-N 2.88Å; A27-M31 WeakPolarHBondContact O-CB 3.44Å; A27-M31 VanDerWaalsContact O-CG 3.24Å; A27-M31 WeakPolarHBondContact O-CG 3.43Å; A27-M31 PolarHBondContact O-N 2.89Å
28	I	92.2	Very high	90	Very high	35 Å²	35	97.9 Å²	97.9	18%	0.179	51%	0.513	C	S	.	.	H	α-helix	trans	-61.2	-49.9	175.4	-71.1	162.3	0	0	0	110.6	A24 M25 N30 M31 N32 V43 V45	A24-I28 WeakPolarHBondContact O-CD1 3.41Å; A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.38Å; A24-I28 PolarHBondContact O-N 2.86Å; M25-I28 WeakPolarHBondContact O-CB 3.47Å; M25-I28 PolarHBondContact O-N 2.86Å; M25-I28 VanDerWaalsContact O-N 3.13Å; I28-N30 VanDerWaalsContact C-N 3.3Å; I28-N30 PolarHBondContact O-N 3.07Å; I28-M31 PolarHBondContact O-N 2.77Å; I28-N32 WeakPolarHBondContact O-CB 3.43Å; I28-N32 PolarHBondContact O-N 2.92Å; I28-V43 HydrophobicContact CG1-CG1 3.96Å; I28-V45 HydrophobicContact CD1-CG2 3.58Å
29	D	91.7	Very high	89.8	Confident	133 Å²	133	102.9 Å²	102.9	71%	0.711	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-35.7	-176.3	-76.4	-10.1	0	0	0	112.4	M25	M25-D29 PolarHBondContact O-N 2.8Å
30	N	92	Very high	89.7	Confident	127 Å²	127	98.7 Å²	98.7	68%	0.679	52%	0.516	S	S	*	.	H	α-helix	trans	-83.9	-29.7	179.9	-71.1	-52.6	0	0	0	113.9	S26 I28	S26-N30 WeakPolarHBondContact O-CB 3.35Å; S26-N30 PolarHBondContact O-N 2.9Å; S26-N30 VanDerWaalsContact O-N 3.13Å; S26-N30 PolarHBondContact O-ND2 3.43Å; I28-N30 VanDerWaalsContact C-N 3.3Å; I28-N30 PolarHBondContact O-N 3.07Å
31	M	92.3	Very high	89.8	Confident	81 Å²	81	95.8 Å²	95.8	40%	0.399	50%	0.504	S	S	.	.	H	α-helix	trans	-104.4	-21.7	-171.8	-61.6	-66.8	-69.2	0	0	113.6	A27 I28 E33 S34 I36 I41 V43	A27-M31 WeakPolarHBondContact O-CB 3.44Å; A27-M31 VanDerWaalsContact O-CG 3.24Å; A27-M31 WeakPolarHBondContact O-CG 3.43Å; A27-M31 PolarHBondContact O-N 2.89Å; I28-M31 PolarHBondContact O-N 2.77Å; M31-E33 PolarHBondContact O-N 3.14Å; M31-S34 VanDerWaalsContact O-CB 3.29Å; M31-S34 WeakPolarHBondContact O-CB 3.2Å; M31-S34 PolarHBondContact O-N 2.79Å; M31-S34 VanDerWaalsContact O-N 3.11Å; M31-S34 PolarHBondContact O-OG 3.29Å; M31-I36 HydrophobicContact CE-CD1 3.66Å; M31-I41 HydrophobicContact CB-CD1 4.37Å; M31-I41 HydrophobicContact CE-CD1 4.19Å; M31-I41 WeakPolarHBondContact O-CG1 3.17Å; M31-V43 HydrophobicContact CB-CG2 3.98Å
32	N	91.2	Very high	89.9	Confident	57 Å²	57	101.2 Å²	101.2	31%	0.305	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	131	175.4	-175.2	49.4	0	0	0	109.9	I28 S34 V43	I28-N32 WeakPolarHBondContact O-CB 3.43Å; I28-N32 PolarHBondContact O-N 2.92Å; N32-S34 PolarHBondContact O-N 3.47Å; N32-V43 HydrophobicContact CB-CB 4.14Å; N32-V43 PolarHBondContact OD1-N 2.82Å; N32-V43 PolarHBondContact OD1-O 3.48Å
33	E	90.7	Very high	89.9	Confident	147 Å²	147	95.9 Å²	95.9	69%	0.687	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	9.2	-174.5	-53.9	-177.8	174.1	0	0	115.2	M31 T40 I41	M31-E33 PolarHBondContact O-N 3.14Å; E33-T40 HydrophobicContact CB-CG2 4.27Å; E33-I41 WeakPolarHBondContact CA-O 3.45Å; E33-I41 PolarHBondContact N-O 3.41Å
34	S	89.7	Confident	89.7	Confident	29 Å²	29	97.2 Å²	97.2	20%	0.203	50%	0.498	C	S	.	.			trans	-70.7	152	169.2	70	0	0	0	0	111.4	M31 N32 T40 I41	M31-S34 VanDerWaalsContact O-CB 3.29Å; M31-S34 WeakPolarHBondContact O-CB 3.2Å; M31-S34 PolarHBondContact O-N 2.79Å; M31-S34 VanDerWaalsContact O-N 3.11Å; M31-S34 PolarHBondContact O-OG 3.29Å; N32-S34 PolarHBondContact O-N 3.47Å; S34-T40 WeakPolarHBondContact O-CA 3.42Å; S34-I41 WeakPolarHBondContact O-CG1 3.34Å; S34-I41 PolarHBondContact O-N 3.27Å; S34-I41 WeakPolarHBondContact OG-CG1 3.45Å
35	E	89.5	Confident	89.5	Confident	144 Å²	144	101 Å²	101	67%	0.673	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.4	-179.8	-153.2	-177.7	176.4	0	0	110.5
36	I	85.7	Confident	88.9	Confident	63 Å²	63	98.6 Å²	98.6	32%	0.323	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.8	179	-46.9	-174.6	0	0	0	108.6	M31 G38 R39 I41	M31-I36 HydrophobicContact CE-CD1 3.66Å; I36-G38 PolarHBondContact O-N 3.31Å; I36-R39 PolarHBondContact N-O 2.89Å; I36-R39 PolarHBondContact O-N 2.84Å; I36-R39 VanDerWaalsContact O-O 3.09Å; I36-I41 HydrophobicContact CB-CG2 4.49Å; I36-I41 HydrophobicContact CD1-CD1 3.55Å; I36-I41 HydrophobicContact CD1-CG1 4.16Å; I36-I41 HydrophobicContact CD1-CG2 4.43Å; I36-I41 HydrophobicContact CG1-CD1 4.26Å; I36-I41 HydrophobicContact CG1-CG1 4.35Å; I36-I41 HydrophobicContact CG1-CG2 4.46Å
37	F	83.6	Confident	87.8	Confident	208 Å²	208	106 Å²	106	91%	0.912	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.6	-176.5	-61.5	-74.3	0	0	0	113.6	R39	F37-R39 VanDerWaalsContact C-N 3.26Å; F37-R39 PolarHBondContact O-N 3.22Å
38	G	84.5	Confident	86	Confident	61 Å²	61	110.2 Å²	110.2	63%	0.629	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.9	20.2	179.8	0	0	0	0	0	114.1	I36	I36-G38 PolarHBondContact O-N 3.31Å
39	R	83.1	Confident	84.2	Confident	197 Å²	197	113.6 Å²	113.6	74%	0.743	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.7	131.3	174.2	-65.8	-174.7	179.5	178.3	0.4	110	I36 F37 I41	I36-R39 PolarHBondContact N-O 2.89Å; I36-R39 PolarHBondContact O-N 2.84Å; I36-R39 VanDerWaalsContact O-O 3.09Å; F37-R39 VanDerWaalsContact C-N 3.26Å; F37-R39 PolarHBondContact O-N 3.22Å; R39-I41 PolarHBondContact O-N 2.92Å
40	T	88.9	Confident	81.8	Confident	99 Å²	99	117.4 Å²	117.4	61%	0.607	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.3	123.8	169.7	-48.7	0	0	0	0	109.6	E33 S34	E33-T40 HydrophobicContact CB-CG2 4.27Å; S34-T40 WeakPolarHBondContact O-CA 3.42Å
41	I	90.5	Very high	79.7	Confident	54 Å²	54	117.6 Å²	117.6	28%	0.277	59%	0.586	S	S	.	*			trans	-92.2	150.7	175.4	60.4	159.5	0	0	0	110.9	M31 E33 S34 I36 R39 V43	M31-I41 HydrophobicContact CB-CD1 4.37Å; M31-I41 HydrophobicContact CE-CD1 4.19Å; M31-I41 WeakPolarHBondContact O-CG1 3.17Å; E33-I41 WeakPolarHBondContact CA-O 3.45Å; E33-I41 PolarHBondContact N-O 3.41Å; S34-I41 WeakPolarHBondContact O-CG1 3.34Å; S34-I41 PolarHBondContact O-N 3.27Å; S34-I41 WeakPolarHBondContact OG-CG1 3.45Å; I36-I41 HydrophobicContact CB-CG2 4.49Å; I36-I41 HydrophobicContact CD1-CD1 3.55Å; I36-I41 HydrophobicContact CD1-CG1 4.16Å; I36-I41 HydrophobicContact CD1-CG2 4.43Å; I36-I41 HydrophobicContact CG1-CD1 4.26Å; I36-I41 HydrophobicContact CG1-CG1 4.35Å; I36-I41 HydrophobicContact CG1-CG2 4.46Å; R39-I41 PolarHBondContact O-N 2.92Å; I41-V43 HydrophobicContact CD1-CG2 3.65Å; I41-V43 HydrophobicContact CG1-CG2 4.22Å
42	R	90.6	Very high	77.4	Confident	221 Å²	221	123.5 Å²	123.5	83%	0.834	60%	0.603	S	S	*	*			trans	-112.4	123.3	172.5	-135.4	-172.7	-65.1	-162.5	-1.1	108.5
43	V	91.5	Very high	75	Confident	43 Å²	43	130.4 Å²	130.4	26%	0.261	63%	0.634	S	S	.	*			trans	-122.7	126.6	-177.8	-167.5	0	0	0	0	108	I28 M31 N32 I41	I28-V43 HydrophobicContact CG1-CG1 3.96Å; M31-V43 HydrophobicContact CB-CG2 3.98Å; N32-V43 HydrophobicContact CB-CB 4.14Å; N32-V43 PolarHBondContact OD1-N 2.82Å; N32-V43 PolarHBondContact OD1-O 3.48Å; I41-V43 HydrophobicContact CD1-CG2 3.65Å; I41-V43 HydrophobicContact CG1-CG2 4.22Å
44	N	88.3	Confident	73.2	Confident	120 Å²	120	125.2 Å²	125.2	64%	0.642	62%	0.62	S	S	*	*			trans	-150.9	159.1	-177.9	60.4	-24.3	0	0	0	111.1	A46	N44-A46 PolarHBondContact O-N 3.41Å
45	V	87.3	Confident	71.6	Confident	105 Å²	105	129.2 Å²	129.2	64%	0.636	63%	0.631	S	S	*	*			trans	-59.4	122.1	172.6	-177.4	0	0	0	0	109.2	I28 R47	I28-V45 HydrophobicContact CD1-CG2 3.58Å; V45-R47 PolarHBondContact O-N 2.98Å; V45-R47 VanDerWaalsContact O-N 3.11Å
46	A	78.1	Confident	70.2	Confident	60 Å²	60	124.3 Å²	124.3	50%	0.496	61%	0.612	S	S	.	*			trans	-63.7	113.3	177.7	0	0	0	0	0	109.4	F15 N44	F15-A46 HydrophobicContact CD1-CB 4.18Å; F15-A46 HydrophobicContact CE1-CB 4.28Å; N44-A46 PolarHBondContact O-N 3.41Å
47	R	69.2	Low	69.6	Low	218 Å²	218	127.3 Å²	127.3	82%	0.823	62%	0.62	S	S	*	*			trans	-70.1	130.3	173.5	-66.7	-173.9	-177.4	-161.6	-0.2	108.1	V45 V49	V45-R47 PolarHBondContact O-N 2.98Å; V45-R47 VanDerWaalsContact O-N 3.11Å; R47-V49 PolarHBondContact O-N 3.42Å
48	P	55.8	Low	69.2	Low	113 Å²	113	117.7 Å²	117.7	73%	0.734	58%	0.578	S	S	*	*			trans	-55.2	133.5	170	22.9	-31.1	0	0	0	107.5	R50	P48-R50 PolarHBondContact O-N 3.07Å
49	V	55.1	Low	69	Low	106 Å²	106	117.6 Å²	117.6	64%	0.642	57%	0.565	S	S	*	*			trans	-53.7	108	175.4	-178.2	0	0	0	0	105.9	R47 I51 W55	R47-V49 PolarHBondContact O-N 3.42Å; V49-I51 PolarHBondContact O-N 2.91Å; V49-W55 HydrophobicContact CG1-CH2 4.29Å; V49-W55 HydrophobicContact CG1-CZ3 3.71Å
50	R	41.5	Very low	68.9	Low	212 Å²	212	108.2 Å²	108.2	80%	0.8	53%	0.53	S	S	*	.			trans	-64.9	95.4	174.9	-76.3	-174.2	177.7	-177.7	-1.3	105.6	P48 R52	P48-R50 PolarHBondContact O-N 3.07Å; R50-R52 PolarHBondContact O-N 3.07Å
51	I	46	Very low	68.4	Low	131 Å²	131	105.5 Å²	105.5	67%	0.672	52%	0.515	S	S	*	.			trans	-64.6	93.6	171.2	-59.3	166	0	0	0	104.5	V49 E53	V49-I51 PolarHBondContact O-N 2.91Å; I51-E53 PolarHBondContact O-N 3.22Å
52	R	44.3	Very low	67.9	Low	205 Å²	205	107 Å²	107	77%	0.774	52%	0.524	S	S	*	.			trans	-56.6	130.3	171.1	-77.6	-175.7	173.5	-175.3	-1.8	107.2	R50 G54 W55	R50-R52 PolarHBondContact O-N 3.07Å; R52-G54 PolarHBondContact O-N 3.29Å; R52-G54 VanDerWaalsContact O-N 3.11Å; R52-W55 WeakPolarHBondContact O-CB 3.39Å; R52-W55 PolarHBondContact O-N 3.42Å
53	E	41.4	Very low	67	Low	202 Å²	202	103.1 Å²	103.1	94%	0.944	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	121	170.1	-91	-179.8	148.1	0	0	108.8	I51	I51-E53 PolarHBondContact O-N 3.22Å
54	G	52.5	Low	66.4	Low	38 Å²	38	106.4 Å²	106.4	39%	0.392	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.6	-13.1	-175.2	0	0	0	0	0	115.8	R52 S56 R57	R52-G54 PolarHBondContact O-N 3.29Å; R52-G54 VanDerWaalsContact O-N 3.11Å; G54-S56 PolarHBondContact O-N 3.03Å; G54-R57 WeakPolarHBondContact O-CB 3.25Å; G54-R57 PolarHBondContact O-N 3.49Å
55	W	55.7	Low	66.1	Low	113 Å²	113	102.2 Å²	102.2	43%	0.428	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	5.3	176.7	-162.3	7.4	0	0	0	114.4	V49 R52 K190 S211	V49-W55 HydrophobicContact CG1-CH2 4.29Å; V49-W55 HydrophobicContact CG1-CZ3 3.71Å; R52-W55 WeakPolarHBondContact O-CB 3.39Å; R52-W55 PolarHBondContact O-N 3.42Å; W55-K190 PolarHBondContact O-NZ 3.37Å; W55-K190 VanDerWaalsContact O-NZ 3.11Å; W55-S211 VanDerWaalsContact O-CB 3.22Å; W55-S211 WeakPolarHBondContact O-CB 3.48Å; W55-S211 PolarHBondContact O-OG 2.92Å
56	S	61.7	Low	65.6	Low	42 Å²	42	98.3 Å²	98.3	29%	0.294	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-9.2	166	57.4	0	0	0	0	112.9	G54 G180 T181	G54-S56 PolarHBondContact O-N 3.03Å; S56-G180 VanDerWaalsContact O-O 3.14Å; S56-T181 WeakPolarHBondContact CB-O 3.27Å; S56-T181 VanDerWaalsContact OG-C 3.32Å; S56-T181 WeakPolarHBondContact OG-CA 3.45Å; S56-T181 PolarHBondContact OG-O 3.42Å
57	R	71.2	Confident	65.3	Low	126 Å²	126	102.4 Å²	102.4	48%	0.475	49%	0.488	S	S	.	.	S	Bend	trans	-82	141.7	175.7	-73.7	-175.2	155.1	151.6	-0.4	109.4	G54 T181 S211	G54-R57 WeakPolarHBondContact O-CB 3.25Å; G54-R57 PolarHBondContact O-N 3.49Å; R57-T181 HydrophobicContact CG-CG2 3.73Å; R57-S211 WeakPolarHBondContact O-CB 3.1Å
58	P	75.7	Confident	65.7	Low	6 Å²	6	99.2 Å²	99.2	4%	0.039	48%	0.48	C	S	.	.			trans	-65.1	153.6	175.8	33.1	-42.2	0	0	0	111	W60 S61 A209 N210	P58-W60 HydrophobicContact CB-CD2 3.97Å; P58-W60 HydrophobicContact CB-CE3 4.48Å; P58-W60 HydrophobicContact CB-CH2 4.15Å; P58-W60 HydrophobicContact CB-CZ2 3.57Å; P58-W60 HydrophobicContact CG-CD2 4.43Å; P58-W60 HydrophobicContact CG-CZ2 4.11Å; P58-W60 PolarHBondContact O-N 3.29Å; P58-W60 VanDerWaalsContact O-N 3.08Å; P58-S61 WeakPolarHBondContact CD-OG 3.24Å; P58-S61 WeakPolarHBondContact CG-OG 3.35Å; P58-S61 VanDerWaalsContact O-CB 3.24Å; P58-S61 WeakPolarHBondContact O-CB 3.19Å; P58-S61 PolarHBondContact O-N 3.25Å; P58-S61 PolarHBondContact O-OG 3.24Å; P58-A209 HydrophobicContact CB-CB 4.25Å; P58-N210 CarbonylContact C-O 3.56Å; P58-N210 WeakPolarHBondContact CA-O 3.45Å
59	V	81.1	Confident	66.5	Low	58 Å²	58	96.9 Å²	96.9	35%	0.352	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-54.4	-33.6	-173	-178.1	0	0	0	0	113.1	S61 W65 N210	V59-S61 VanDerWaalsContact C-N 3.26Å; V59-S61 PolarHBondContact O-N 2.9Å; V59-W65 HydrophobicContact CG1-CG 4.34Å; V59-N210 PolarHBondContact N-O 3.44Å
60	W	80.2	Confident	66.6	Low	0 Å²	0	93 Å²	93	0%	0	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-79.6	3.3	177.3	57.9	88.1	0	0	0	114.3	P58 D62 W65 L66 R163 M169 Q171 A209 F221 L230 H234	P58-W60 HydrophobicContact CB-CD2 3.97Å; P58-W60 HydrophobicContact CB-CE3 4.48Å; P58-W60 HydrophobicContact CB-CH2 4.15Å; P58-W60 HydrophobicContact CB-CZ2 3.57Å; P58-W60 HydrophobicContact CG-CD2 4.43Å; P58-W60 HydrophobicContact CG-CZ2 4.11Å; P58-W60 PolarHBondContact O-N 3.29Å; P58-W60 VanDerWaalsContact O-N 3.08Å; W60-D62 PolarHBondContact O-N 2.85Å; W60-W65 HydrophobicContact CB-CD2 3.84Å; W60-W65 HydrophobicContact CB-CE3 3.2Å; W60-W65 HydrophobicContact CB-CH2 4.05Å; W60-W65 HydrophobicContact CB-CZ3 3.34Å; W60-W65 HydrophobicContact CG-CZ3 4.46Å; W60-L66 HydrophobicContact CB-CD1 4.07Å; W60-L66 WeakPolarHBondContact O-CD1 3.41Å; W60-R163 VanDerWaalsContact O-CZ 3.26Å; W60-R163 PolarHBondContact O-NH1 3.28Å; W60-R163 PolarHBondContact O-NH2 2.85Å; W60-M169 HydrophobicContact CD2-CE 4.3Å; W60-M169 HydrophobicContact CG-CE 4.18Å; W60-M169 HydrophobicContact CZ2-CE 4.27Å; W60-Q171 HydrophobicContact CZ2-CG 4.33Å; W60-A209 HydrophobicContact CH2-CB 3.68Å; W60-A209 HydrophobicContact CZ2-CB 3.6Å; W60-F221 AromaticContact CH2-CD1 3.38Å; W60-F221 HydrophobicContact CH2-CD1 3.38Å; W60-F221 AromaticContact CH2-CE1 3.38Å; W60-F221 HydrophobicContact CH2-CE1 3.38Å; W60-F221 HydrophobicContact CH2-CG 4.23Å; W60-F221 HydrophobicContact CH2-CZ 4.2Å; W60-F221 AromaticContact CZ2-CD1 3.88Å; W60-F221 HydrophobicContact CZ2-CD1 3.88Å; W60-F221 HydrophobicContact CZ2-CE1 4.31Å; W60-F221 HydrophobicContact CZ2-CG 4.44Å; W60-F221 HydrophobicContact CZ3-CD1 4.31Å; W60-F221 AromaticContact CZ3-CE1 3.92Å; W60-F221 HydrophobicContact CZ3-CE1 3.92Å; W60-F221 HydrophobicContact CZ3-CZ 4.38Å; W60-L230 HydrophobicContact CE3-CD2 4.49Å; W60-H234 AromaticContact CE3-CE1 3.9Å; W60-H234 AromaticContact CE3-NE2 3.83Å; W60-H234 AromaticContact CH2-CE1 3.8Å; W60-H234 AromaticContact CH2-ND1 3.84Å; W60-H234 AromaticContact CZ3-CD2 3.83Å; W60-H234 AromaticContact CZ3-CE1 3.1Å; W60-H234 WeakPolarHBondContact CZ3-CE1 3.42Å; W60-H234 AromaticContact CZ3-CG 3.93Å; W60-H234 AromaticContact CZ3-ND1 3.48Å; W60-H234 WeakPolarHBondContact CZ3-ND1 3.43Å; W60-H234 AromaticContact CZ3-NE2 3.31Å; W60-H234 VanDerWaalsContact CZ3-NE2 3.31Å; W60-H234 WeakPolarHBondContact CZ3-NE2 3.13Å
61	S	78.4	Confident	67	Low	42 Å²	42	87.2 Å²	87.2	29%	0.294	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-68.7	-20.3	169.3	-54	0	0	0	0	112.9	P58 V59 E63	P58-S61 WeakPolarHBondContact CD-OG 3.24Å; P58-S61 WeakPolarHBondContact CG-OG 3.35Å; P58-S61 VanDerWaalsContact O-CB 3.24Å; P58-S61 WeakPolarHBondContact O-CB 3.19Å; P58-S61 PolarHBondContact O-N 3.25Å; P58-S61 PolarHBondContact O-OG 3.24Å; V59-S61 VanDerWaalsContact C-N 3.26Å; V59-S61 PolarHBondContact O-N 2.9Å; S61-E63 PolarHBondContact O-N 3.01Å
62	D	79.8	Confident	67	Low	87 Å²	87	84 Å²	84	47%	0.465	42%	0.424	S	S	.	.	S	Bend	trans	-71.5	123.8	172.3	-169.9	-35.6	0	0	0	110	W60 N64 W65 L66	W60-D62 PolarHBondContact O-N 2.85Å; D62-N64 PolarHBondContact O-N 2.91Å; D62-N64 VanDerWaalsContact OD1-CB 3.25Å; D62-N64 WeakPolarHBondContact OD1-CB 3.4Å; D62-N64 PolarHBondContact OD1-N 2.8Å; D62-W65 HydrophobicContact CB-CB 3.99Å; D62-W65 WeakPolarHBondContact O-CB 3.08Å; D62-W65 PolarHBondContact O-N 2.96Å; D62-L66 PolarHBondContact O-N 2.92Å
63	E	72.7	Confident	66.7	Low	139 Å²	139	79.5 Å²	79.5	65%	0.65	42%	0.421	S	S	*	.	H	α-helix	trans	-58.3	-34.2	176.9	-74.9	-164	162.7	0	0	112.6	S61 W65 L66 K67	S61-E63 PolarHBondContact O-N 3.01Å; E63-W65 VanDerWaalsContact C-N 3.29Å; E63-W65 PolarHBondContact O-N 3.08Å; E63-L66 PolarHBondContact O-N 3.02Å; E63-K67 WeakPolarHBondContact O-CG 3.42Å; E63-K67 PolarHBondContact O-N 3.18Å
64	N	78.6	Confident	66.7	Low	112 Å²	112	77.3 Å²	77.3	60%	0.599	42%	0.415	S	S	*	.	H	α-helix	trans	-66.9	-36.9	177.3	-66.2	-34.8	0	0	0	110.9	D62 K67 K68	D62-N64 PolarHBondContact O-N 2.91Å; D62-N64 VanDerWaalsContact OD1-CB 3.25Å; D62-N64 WeakPolarHBondContact OD1-CB 3.4Å; D62-N64 PolarHBondContact OD1-N 2.8Å; N64-K67 PolarHBondContact O-N 3.17Å; N64-K68 WeakPolarHBondContact O-CB 3.47Å; N64-K68 PolarHBondContact O-N 3.49Å; N64-K68 VanDerWaalsContact O-N 3.1Å
65	W	82.5	Confident	65.7	Low	32 Å²	32	84.1 Å²	84.1	12%	0.121	44%	0.437	C	S	.	.	H	α-helix	trans	-64.3	-45.2	174.2	-165.5	101.5	0	0	0	110.4	V59 W60 D62 E63 K67 K68 Y69 F168 W229 L230	V59-W65 HydrophobicContact CG1-CG 4.34Å; W60-W65 HydrophobicContact CB-CD2 3.84Å; W60-W65 HydrophobicContact CB-CE3 3.2Å; W60-W65 HydrophobicContact CB-CH2 4.05Å; W60-W65 HydrophobicContact CB-CZ3 3.34Å; W60-W65 HydrophobicContact CG-CZ3 4.46Å; D62-W65 HydrophobicContact CB-CB 3.99Å; D62-W65 WeakPolarHBondContact O-CB 3.08Å; D62-W65 PolarHBondContact O-N 2.96Å; E63-W65 VanDerWaalsContact C-N 3.29Å; E63-W65 PolarHBondContact O-N 3.08Å; W65-K67 PolarHBondContact O-N 2.85Å; W65-K68 PolarHBondContact O-N 3.21Å; W65-Y69 AromaticContact CD1-CD2 3.92Å; W65-Y69 AromaticContact CD1-CE2 3.99Å; W65-Y69 AromaticContact CD2-CD2 3.64Å; W65-Y69 HydrophobicContact CD2-CD2 3.64Å; W65-Y69 HydrophobicContact CD2-CE2 4.44Å; W65-Y69 HydrophobicContact CD2-CG 4.39Å; W65-Y69 AromaticContact CE2-CD2 3.45Å; W65-Y69 VanDerWaalsContact CE2-CD2 3.45Å; W65-Y69 HydrophobicContact CE3-CD2 4.16Å; W65-Y69 AromaticContact CG-CD2 3.95Å; W65-Y69 HydrophobicContact CG-CD2 3.95Å; W65-Y69 HydrophobicContact CG-CE2 4.42Å; W65-Y69 HydrophobicContact CH2-CD2 4.31Å; W65-Y69 HydrophobicContact CH2-CG 4.19Å; W65-Y69 AromaticContact CZ2-CD2 3.84Å; W65-Y69 HydrophobicContact CZ2-CD2 3.84Å; W65-Y69 HydrophobicContact CZ2-CG 4.05Å; W65-Y69 HydrophobicContact CZ3-CD2 4.46Å; W65-Y69 HydrophobicContact CZ3-CG 4.45Å; W65-Y69 AromaticContact NE1-CD2 3.65Å; W65-Y69 AromaticContact NE1-CE2 3.75Å; W65-Y69 WeakPolarHBondContact O-CD2 3.13Å; W65-Y69 PolarHBondContact O-N 2.87Å; W65-F168 HydrophobicContact CH2-CZ 4.34Å; W65-F168 HydrophobicContact CZ3-CE1 4.39Å; W65-F168 HydrophobicContact CZ3-CZ 4.11Å; W65-W229 AromaticContact CH2-CD1 3.88Å; W65-W229 AromaticContact CH2-NE1 3.83Å; W65-L230 HydrophobicContact CH2-CD2 3.55Å; W65-L230 HydrophobicContact CZ2-CD2 3.79Å
66	L	75.5	Confident	64.5	Low	22 Å²	22	82.4 Å²	82.4	12%	0.115	45%	0.454	C	S	.	.	H	α-helix	trans	-62.2	-40.5	176.9	-128.7	77.3	0	0	0	112.9	W60 D62 E63 K68 G70 I165	W60-L66 HydrophobicContact CB-CD1 4.07Å; W60-L66 WeakPolarHBondContact O-CD1 3.41Å; D62-L66 PolarHBondContact O-N 2.92Å; E63-L66 PolarHBondContact O-N 3.02Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 2.83Å; L66-G70 WeakPolarHBondContact O-CA 3.42Å; L66-G70 PolarHBondContact O-N 3.29Å; L66-I165 HydrophobicContact CD1-CD1 3.93Å; L66-I165 HydrophobicContact CD2-CD1 3.84Å; L66-I165 HydrophobicContact CG-CD1 4.28Å
67	K	73.4	Confident	63.1	Low	146 Å²	146	90.8 Å²	90.8	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-61.8	-39.4	176.3	-76	173.4	-175.6	170.7	0	111.5	E63 N64 W65	E63-K67 WeakPolarHBondContact O-CG 3.42Å; E63-K67 PolarHBondContact O-N 3.18Å; N64-K67 PolarHBondContact O-N 3.17Å; W65-K67 PolarHBondContact O-N 2.85Å
68	K	76	Confident	61.1	Low	151 Å²	151	93.8 Å²	93.8	66%	0.657	50%	0.496	S	S	*	.	H	α-helix	trans	-75.1	-38.3	-177.6	-171.8	172.5	-178.6	-173.9	0	113.4	N64 W65 L66	N64-K68 WeakPolarHBondContact O-CB 3.47Å; N64-K68 PolarHBondContact O-N 3.49Å; N64-K68 VanDerWaalsContact O-N 3.1Å; W65-K68 PolarHBondContact O-N 3.21Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 2.83Å
69	Y	73.1	Confident	59	Low	64 Å²	64	101.5 Å²	101.5	25%	0.251	54%	0.536	S	S	.	.	H	α-helix	trans	-120.3	-22.4	-169.9	-61.7	-73.6	0	0	0	114.7	W65 W229	W65-Y69 AromaticContact CD1-CD2 3.92Å; W65-Y69 AromaticContact CD1-CE2 3.99Å; W65-Y69 AromaticContact CD2-CD2 3.64Å; W65-Y69 HydrophobicContact CD2-CD2 3.64Å; W65-Y69 HydrophobicContact CD2-CE2 4.44Å; W65-Y69 HydrophobicContact CD2-CG 4.39Å; W65-Y69 AromaticContact CE2-CD2 3.45Å; W65-Y69 VanDerWaalsContact CE2-CD2 3.45Å; W65-Y69 HydrophobicContact CE3-CD2 4.16Å; W65-Y69 AromaticContact CG-CD2 3.95Å; W65-Y69 HydrophobicContact CG-CD2 3.95Å; W65-Y69 HydrophobicContact CG-CE2 4.42Å; W65-Y69 HydrophobicContact CH2-CD2 4.31Å; W65-Y69 HydrophobicContact CH2-CG 4.19Å; W65-Y69 AromaticContact CZ2-CD2 3.84Å; W65-Y69 HydrophobicContact CZ2-CD2 3.84Å; W65-Y69 HydrophobicContact CZ2-CG 4.05Å; W65-Y69 HydrophobicContact CZ3-CD2 4.46Å; W65-Y69 HydrophobicContact CZ3-CG 4.45Å; W65-Y69 AromaticContact NE1-CD2 3.65Å; W65-Y69 AromaticContact NE1-CE2 3.75Å; W65-Y69 WeakPolarHBondContact O-CD2 3.13Å; W65-Y69 PolarHBondContact O-N 2.87Å; Y69-W229 HydrophobicContact CD1-CB 4.43Å
70	G	57.4	Low	56.7	Low	24 Å²	24	106 Å²	106	25%	0.247	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-8.1	-174.4	0	0	0	0	0	115.3	L66	L66-G70 WeakPolarHBondContact O-CA 3.42Å; L66-G70 PolarHBondContact O-N 3.29Å
71	S	49.9	Very low	54.3	Low	92 Å²	92	114.2 Å²	114.2	64%	0.643	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	14.1	-177.3	-55.3	0	0	0	0	113.6	P73	S71-P73 WeakPolarHBondContact O-CD 3.45Å
72	A	46.7	Very low	52.1	Low	64 Å²	64	117.7 Å²	117.7	53%	0.529	62%	0.618	S	S	.	*			trans	-57.1	114.5	-179.4	0	0	0	0	0	109.9
73	P	36.3	Very low	49.9	Very low	110 Å²	110	121 Å²	121	71%	0.714	64%	0.636	S	S	*	*			trans	-66.1	141.8	-179.6	-18.1	32	0	0	0	110.6	S71 E75	S71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-E75 PolarHBondContact O-N 2.81Å
74	L	42.7	Very low	47.8	Very low	156 Å²	156	121.7 Å²	121.7	82%	0.817	64%	0.642	S	S	*	*	S	Bend	trans	-70.2	14.6	177.3	-82.9	159	0	0	0	114.3
75	E	30.1	Very low	45.7	Very low	181 Å²	181	122.7 Å²	122.7	85%	0.846	65%	0.652	S	S	*	*			trans	-112.4	119.4	-174.2	-80.3	175.2	162.1	0	0	111.8	P73	P73-E75 PolarHBondContact O-N 2.81Å
76	G	31.6	Very low	43.4	Very low	77 Å²	77	127.8 Å²	127.8	79%	0.794	68%	0.681	S	S	*	*			trans	110.8	16.5	151.2	0	0	0	0	0	118.8	K78	G76-K78 PolarHBondContact O-N 2.78Å
77	R	33.2	Very low	41.4	Very low	218 Å²	218	132.4 Å²	132.4	82%	0.823	71%	0.713	S	S	*	*			trans	-81.3	105.5	160.8	-91.2	-174.7	-177.5	160.9	1.5	109.1	L79 D228	R77-L79 PolarHBondContact O-N 3.09Å; R77-L79 VanDerWaalsContact O-N 3.16Å; R77-D228 IonicContact NH1-OD2 3.99Å
78	K	27.4	Very low	39.3	Very low	188 Å²	188	130.3 Å²	130.3	82%	0.817	72%	0.717	S	S	*	*			trans	-45	120.3	162.5	-78	179.4	172.7	-177.7	0	108	G76 D80	G76-K78 PolarHBondContact O-N 2.78Å; K78-D80 PolarHBondContact O-N 3.27Å
79	L	32.3	Very low	37	Very low	168 Å²	168	130.1 Å²	130.1	88%	0.88	72%	0.723	S	S	*	*			trans	-68	105.3	161.5	-72.7	158	0	0	0	104.7	R77 E81	R77-L79 PolarHBondContact O-N 3.09Å; R77-L79 VanDerWaalsContact O-N 3.16Å; L79-E81 PolarHBondContact O-N 3.47Å
80	D	32	Very low	35.1	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-63.5	119.1	164	-66.1	-36.1	0	0	0	106.3	K78	K78-D80 PolarHBondContact O-N 3.27Å
81	E	30.7	Very low	33.8	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.813	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-54.4	139.4	177.7	-71.5	175.9	140.7	0	0	109.9	L79 D83	L79-E81 PolarHBondContact O-N 3.47Å; E81-D83 PolarHBondContact O-N 2.94Å
82	P	32.1	Very low	32.8	Very low	115 Å²	115	141 Å²	141	75%	0.747	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-68.3	126.5	168.5	28.4	-30.5	0	0	0	108.8	I84	P82-I84 PolarHBondContact O-N 3.23Å
83	D	32.9	Very low	32.2	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	79%	0.793	S	S	*	*			trans	-53.6	112.1	172.7	-77	-44.9	0	0	0	110.3	E81 V85	E81-D83 PolarHBondContact O-N 2.94Å; D83-V85 PolarHBondContact O-N 3.44Å
84	I	29.8	Very low	32	Very low	152 Å²	152	147 Å²	147	78%	0.779	80%	0.803	S	S	*	*			trans	-75.6	99.1	167.5	-63	169.3	0	0	0	106.5	P82	P82-I84 PolarHBondContact O-N 3.23Å
85	V	34.8	Very low	31.7	Very low	133 Å²	133	148 Å²	148	81%	0.806	80%	0.803	S	S	*	*			trans	-91.8	112.4	166.4	-134.5	0	0	0	0	107.9	D83	D83-V85 PolarHBondContact O-N 3.44Å
86	N	33	Very low	31.8	Very low	139 Å²	139	146.7 Å²	146.7	74%	0.743	80%	0.802	S	S	*	*			trans	-67.7	147.3	175.6	-91.5	-26.2	0	0	0	111.5
87	P	33.1	Very low	32.2	Very low	120 Å²	120	149.8 Å²	149.8	78%	0.779	80%	0.799	S	S	*	*			trans	-89.1	126.8	-179.1	34.4	-28.8	0	0	0	110.7
88	S	29.4	Very low	32.8	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	79%	0.788	S	S	*	*			trans	-158.7	126	159	55.9	0	0	0	0	110.9
89	D	28.9	Very low	34	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	78%	0.783	S	S	*	*			trans	63.8	102.5	155.6	-58.4	-26.2	0	0	0	118.7
90	T	33.4	Very low	34.6	Very low	149 Å²	149	140.1 Å²	140.1	91%	0.914	78%	0.775	S	S	*	*				-170.6	147.2	103.5	22	0	0	0	0	111.2
91	S	29.5	Very low	35.1	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	77%	0.766	S	S	*	*			trans	-92.8	168.4	-165.2	51.3	0	0	0	0	113.2
92	E	30	Very low	35.5	Very low	163 Å²	163	137.7 Å²	137.7	76%	0.762	76%	0.761	S	S	*	*			trans	82.2	98.2	156.6	-55.7	178.7	-174.1	0	0	118
93	N	33.5	Very low	35.9	Very low	150 Å²	150	143 Å²	143	80%	0.802	77%	0.766	S	S	*	*				173.5	114.4	105.6	-85.7	-32	0	0	0	109.8
94	V	31.1	Very low	36.2	Very low	150 Å²	150	140.9 Å²	140.9	91%	0.909	76%	0.759	S	S	*	*			trans	-105.8	98.9	173.4	-179	0	0	0	0	106.5
95	E	36.4	Very low	36.5	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	76%	0.762	S	S	*	*			trans	-134.1	122.5	167.1	-74.9	-172	165.3	0	0	109.6
96	D	33	Very low	36.7	Very low	154 Å²	154	145.1 Å²	145.1	82%	0.824	76%	0.761	S	S	*	*			trans	55	81.5	156.6	-66.9	-13.2	0	0	0	119.8	S98	D96-S98 PolarHBondContact O-N 3.2Å; D96-S98 VanDerWaalsContact O-N 3.12Å
97	L	40.4	Very low	37	Very low	142 Å²	142	147 Å²	147	74%	0.743	77%	0.765	S	S	*	*			trans	-72.2	96.7	154	-72.9	165.3	0	0	0	109.4
98	S	46	Very low	37.7	Very low	84 Å²	84	150.5 Å²	150.5	59%	0.587	77%	0.768	S	S	*	*			trans	-71.2	162.1	171.8	61.5	0	0	0	0	112.3	D96 E100	D96-S98 PolarHBondContact O-N 3.2Å; D96-S98 VanDerWaalsContact O-N 3.12Å; S98-E100 PolarHBondContact O-N 3.26Å
99	D	50.9	Low	39.2	Very low	131 Å²	131	155.2 Å²	155.2	70%	0.701	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.2	7.4	-172.1	-66.9	-53.6	0	0	0	118.5
100	E	46.6	Very low	42.1	Very low	156 Å²	156	154.7 Å²	154.7	73%	0.729	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-30.5	175.4	-75.4	-153.5	137	0	0	113.7	S98 M102 R103	S98-E100 PolarHBondContact O-N 3.26Å; E100-M102 PolarHBondContact O-N 3.22Å; E100-R103 PolarHBondContact O-N 3.26Å
101	E	42.6	Very low	45.2	Very low	131 Å²	131	149.5 Å²	149.5	61%	0.612	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-15.9	177.8	-71.1	-172.2	140.7	0	0	113.2	T104	E101-T104 PolarHBondContact O-OG1 3.5Å
102	M	37.6	Very low	48.4	Very low	145 Å²	145	146.1 Å²	146.1	71%	0.714	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-12.6	176.6	-117.3	-172.7	-72.9	0	0	114	E100	E100-M102 PolarHBondContact O-N 3.22Å
103	R	41.6	Very low	51.7	Low	225 Å²	225	143.7 Å²	143.7	85%	0.849	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-9.3	175.9	-83.2	-179.1	166.5	-162.8	-1.9	114	E100	E100-R103 PolarHBondContact O-N 3.26Å
104	T	37.8	Very low	54.8	Low	113 Å²	113	136.5 Å²	136.5	69%	0.693	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	19.7	178	55.2	0	0	0	0	114.1	E101 K106	E101-T104 PolarHBondContact O-OG1 3.5Å; T104-K106 PolarHBondContact O-N 3.44Å
105	K	37.2	Very low	58	Low	192 Å²	192	130.1 Å²	130.1	84%	0.835	62%	0.616	S	S	*	*			trans	-70	58.2	149.7	-82.7	179.7	178.3	170	0	109.8	Q107	K105-Q107 VanDerWaalsContact C-N 3.3Å; K105-Q107 PolarHBondContact O-N 3.4Å
106	K	39.6	Very low	61	Low	183 Å²	183	121.8 Å²	121.8	80%	0.796	58%	0.576	S	S	*	*			trans	-64.4	98.2	167.3	-151.4	177.2	-168.1	176.1	0	104.7	T104 K108	T104-K106 PolarHBondContact O-N 3.44Å; K106-K108 PolarHBondContact O-N 2.9Å
107	Q	39.3	Very low	64.1	Low	177 Å²	177	115.7 Å²	115.7	83%	0.827	54%	0.544	S	S	*	.			trans	-27.6	112.3	166.9	-161.3	171.3	22.1	0	0	108	K105 R109	K105-Q107 VanDerWaalsContact C-N 3.3Å; K105-Q107 PolarHBondContact O-N 3.4Å; Q107-R109 VanDerWaalsContact C-N 3.28Å; Q107-R109 PolarHBondContact O-N 2.91Å
108	K	47.2	Very low	66.9	Low	195 Å²	195	109 Å²	109	85%	0.848	51%	0.509	S	S	*	.			trans	-51.1	99.5	-176.3	-131.7	-179.3	-175.4	-179.9	0	105.7	K106 N110	K106-K108 PolarHBondContact O-N 2.9Å; K108-N110 PolarHBondContact O-N 3.48Å; K108-N110 PolarHBondContact O-OD1 2.93Å
109	R	61	Low	69.4	Low	201 Å²	201	109.5 Å²	109.5	76%	0.758	50%	0.498	S	S	*	.			trans	-66.1	107.5	-178.9	-98.3	-177.9	153.8	-175.7	-5.8	104.1	Q107 L111	Q107-R109 VanDerWaalsContact C-N 3.28Å; Q107-R109 PolarHBondContact O-N 2.91Å; R109-L111 PolarHBondContact O-N 3.11Å; R109-L111 VanDerWaalsContact O-N 3.11Å
110	N	90	Very high	71.7	Confident	136 Å²	136	104.3 Å²	104.3	73%	0.727	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-56.9	121.7	177.3	-76.2	11.4	0	0	0	107.3	K108	K108-N110 PolarHBondContact O-N 3.48Å; K108-N110 PolarHBondContact O-OD1 2.93Å
111	L	97.1	Very high	74.1	Confident	39 Å²	39	97.6 Å²	97.6	20%	0.204	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-72.3	131.9	177.6	-66.4	-176.2	0	0	0	108.4	R109 R113 E131 L132 D135	R109-L111 PolarHBondContact O-N 3.11Å; R109-L111 VanDerWaalsContact O-N 3.11Å; L111-R113 PolarHBondContact O-N 3.33Å; L111-E131 HydrophobicContact CB-CG 3.69Å; L111-E131 HydrophobicContact CD1-CG 4.08Å; L111-L132 WeakPolarHBondContact CB-O 3.22Å; L111-D135 HydrophobicContact CD2-CB 3.98Å; L111-D135 WeakPolarHBondContact CD2-OD1 3.34Å
112	P	98.1	Very high	76.7	Confident	25 Å²	25	98.6 Å²	98.6	16%	0.162	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-55.8	136.4	179.4	-25.4	33.3	0	0	0	111.1	L132 S134 R145	P112-L132 HydrophobicContact CB-CB 4.39Å; P112-L132 HydrophobicContact CB-CD1 4.32Å; P112-L132 PolarHBondContact O-N 2.88Å; P112-S134 WeakPolarHBondContact CD-OG 3.33Å; P112-R145 HydrophobicContact CB-CG 4.43Å
113	R	98.6	Very high	79.5	Confident	112 Å²	112	93.5 Å²	93.5	42%	0.423	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.5	173.1	-74.6	179.7	175.8	-179.8	-2.4	109.5	L111 V129 M130 E131 E271 L272	L111-R113 PolarHBondContact O-N 3.33Å; R113-V129 HydrophobicContact CB-CG1 4.48Å; R113-M130 WeakPolarHBondContact CA-O 3.4Å; R113-E131 HydrophobicContact CG-CB 4.42Å; R113-E131 HydrophobicContact CG-CG 4.41Å; R113-E131 IonicContact CZ-OE1 3.25Å; R113-E131 IonicContact NE-OE1 2.71Å; R113-E131 PolarHBondContact NE-OE1 2.79Å; R113-E131 VanDerWaalsContact NE-OE1 3.07Å; R113-E131 IonicContact NH2-OE1 2.93Å; R113-E131 PolarHBondContact NH2-OE1 2.99Å; R113-E271 CarbonylContact O-C 3.55Å; R113-E271 WeakPolarHBondContact O-CA 3.4Å; R113-L272 HydrophobicContact CB-CB 4.24Å; R113-L272 PolarHBondContact O-N 3.22Å
114	V	98.9	Very high	82.3	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	156.3	177.8	-63.1	0	0	0	0	110.2	V129 M130 L132 F144 R145 C148 G270	V114-V129 WeakPolarHBondContact O-CA 3.32Å; V114-M130 HydrophobicContact CG2-CB 3.98Å; V114-M130 HydrophobicContact CG2-CE 4.01Å; V114-M130 PolarHBondContact N-O 3.05Å; V114-M130 PolarHBondContact O-N 2.69Å; V114-L132 HydrophobicContact CG1-CD1 3.94Å; V114-L132 HydrophobicContact CG2-CD1 4.06Å; V114-L132 HydrophobicContact CG2-CD2 3.94Å; V114-L132 HydrophobicContact CG2-CG 4.11Å; V114-F144 HydrophobicContact CG2-CD1 3.93Å; V114-F144 HydrophobicContact CG2-CE1 3.7Å; V114-R145 HydrophobicContact CG1-CB 4.36Å; V114-R145 HydrophobicContact CG1-CG 4.07Å; V114-C148 HydrophobicContact CB-CB 4.11Å; V114-C148 HydrophobicContact CG1-CB 4.06Å; V114-G270 CarbonylContact C-O 3.58Å; V114-G270 WeakPolarHBondContact CA-O 3.29Å; V114-G270 WeakPolarHBondContact CB-O 3.4Å
115	F	98.9	Very high	85.2	Confident	16 Å²	16	83.5 Å²	83.5	7%	0.07	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153	-179.6	76.4	-87.3	0	0	0	112.7	D117 R127 I128 R268 C269 G270 L272	F115-D117 WeakPolarHBondContact CE2-OD2 3.49Å; F115-R127 HydrophobicContact CB-CG 4.04Å; F115-R127 HydrophobicContact CD2-CG 4.45Å; F115-R127 VanDerWaalsContact CD2-NE 3.32Å; F115-I128 CarbonylContact C-O 3.53Å; F115-I128 WeakPolarHBondContact CA-O 3.37Å; F115-R268 HydrophobicContact CE2-CB 4.39Å; F115-R268 HydrophobicContact CE2-CG 4.22Å; F115-R268 HydrophobicContact CZ-CG 4.41Å; F115-C269 WeakPolarHBondContact O-CA 3.08Å; F115-C269 WeakPolarHBondContact O-CB 3.44Å; F115-G270 WeakPolarHBondContact CD1-O 3.42Å; F115-G270 PolarHBondContact N-O 2.9Å; F115-G270 PolarHBondContact O-N 3.26Å; F115-L272 HydrophobicContact CB-CD1 4.2Å; F115-L272 HydrophobicContact CB-CG 4.37Å; F115-L272 HydrophobicContact CD1-CD2 3.71Å; F115-L272 HydrophobicContact CD1-CG 3.83Å; F115-L272 HydrophobicContact CE1-CD2 4.16Å; F115-L272 HydrophobicContact CG-CD2 4.43Å; F115-L272 HydrophobicContact CG-CG 4.47Å
116	F	98.9	Very high	88.1	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.4	163.6	-62.7	-31.2	0	0	0	109.5	I118 R127 I128 M130 F144 C148 Y156 F161 F220 I266 R268 C269	F116-I118 HydrophobicContact CB-CD1 3.78Å; F116-I118 HydrophobicContact CB-CG1 4.32Å; F116-R127 CarbonylContact O-C 3.54Å; F116-R127 VanDerWaalsContact O-CA 3.29Å; F116-R127 WeakPolarHBondContact O-CA 3.28Å; F116-I128 PolarHBondContact N-O 2.9Å; F116-I128 PolarHBondContact O-N 2.87Å; F116-M130 HydrophobicContact CB-CE 4.46Å; F116-M130 HydrophobicContact CD1-CE 4.15Å; F116-M130 HydrophobicContact CD2-CE 3.37Å; F116-M130 HydrophobicContact CD2-SD 4.15Å; F116-M130 HydrophobicContact CE1-CE 4.25Å; F116-M130 HydrophobicContact CE2-CE 3.46Å; F116-M130 VanDerWaalsContact CE2-CE 3.46Å; F116-M130 HydrophobicContact CE2-SD 3.91Å; F116-M130 HydrophobicContact CG-CE 3.73Å; F116-M130 HydrophobicContact CZ-CE 3.93Å; F116-F144 AromaticContact CE2-CZ 3.88Å; F116-F144 HydrophobicContact CE2-CZ 3.88Å; F116-F144 HydrophobicContact CZ-CE1 4Å; F116-F144 HydrophobicContact CZ-CE2 4.42Å; F116-F144 AromaticContact CZ-CZ 3.53Å; F116-F144 HydrophobicContact CZ-CZ 3.53Å; F116-C148 VanDerWaalsContact CE1-SG 3.51Å; F116-Y156 AromaticContact CE1-CD2 3.95Å; F116-Y156 HydrophobicContact CE1-CD2 3.95Å; F116-Y156 HydrophobicContact CE1-CG 4.4Å; F116-Y156 AromaticContact CZ-CD2 3.84Å; F116-Y156 HydrophobicContact CZ-CD2 3.84Å; F116-Y156 HydrophobicContact CZ-CE2 4.38Å; F116-Y156 HydrophobicContact CZ-CG 4.35Å; F116-F161 HydrophobicContact CD2-CZ 4.47Å; F116-F220 HydrophobicContact CD2-CZ 4.38Å; F116-F220 HydrophobicContact CE2-CE1 4.19Å; F116-F220 AromaticContact CE2-CE2 3.83Å; F116-F220 HydrophobicContact CE2-CE2 3.83Å; F116-F220 AromaticContact CE2-CZ 3.37Å; F116-F220 HydrophobicContact CE2-CZ 3.37Å; F116-F220 HydrophobicContact CZ-CE1 4.19Å; F116-F220 AromaticContact CZ-CZ 3.81Å; F116-F220 HydrophobicContact CZ-CZ 3.81Å; F116-I266 HydrophobicContact CB-CG2 4.1Å; F116-I266 HydrophobicContact CD1-CD1 4.26Å; F116-I266 HydrophobicContact CD1-CG1 4.49Å; F116-I266 HydrophobicContact CD1-CG2 3.58Å; F116-I266 HydrophobicContact CD2-CD1 4.17Å; F116-I266 HydrophobicContact CD2-CG1 4.43Å; F116-I266 HydrophobicContact CE1-CD1 4.17Å; F116-I266 HydrophobicContact CE1-CG2 4.19Å; F116-I266 HydrophobicContact CE2-CD1 4.09Å; F116-I266 HydrophobicContact CG-CD1 4.27Å; F116-I266 HydrophobicContact CG-CG1 4.27Å; F116-I266 HydrophobicContact CG-CG2 3.95Å; F116-I266 HydrophobicContact CZ-CD1 4.08Å; F116-R268 CarbonylContact C-O 3.32Å; F116-R268 WeakPolarHBondContact CA-O 3.11Å; F116-C269 HydrophobicContact CD1-CB 3.5Å; F116-C269 VanDerWaalsContact CD1-CB 3.5Å; F116-C269 HydrophobicContact CE1-CB 3.78Å
117	D	98.9	Very high	90.9	Very high	27 Å²	27	71.1 Å²	71.1	14%	0.144	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.4	159.4	-63.9	-35.3	0	0	0	107	F115 R127 I266 S267 R268	F115-D117 WeakPolarHBondContact CE2-OD2 3.49Å; D117-R127 VanDerWaalsContact CG-NH2 3.33Å; D117-R127 WeakPolarHBondContact OD1-CB 3.12Å; D117-R127 IonicContact OD1-CZ 3.83Å; D117-R127 VanDerWaalsContact OD1-CZ 3.25Å; D117-R127 IonicContact OD1-NE 3.94Å; D117-R127 PolarHBondContact OD1-NE 2.91Å; D117-R127 IonicContact OD1-NH2 2.87Å; D117-R127 PolarHBondContact OD1-NH2 3.39Å; D117-R127 IonicContact OD2-CZ 3.74Å; D117-R127 IonicContact OD2-NE 2.81Å; D117-R127 IonicContact OD2-NH2 3.29Å; D117-R127 PolarHBondContact OD2-NH2 3.19Å; D117-I266 CarbonylContact O-C 3.41Å; D117-S267 PolarHBondContact O-N 2.95Å; D117-S267 PolarHBondContact O-OG 2.65Å; D117-S267 VanDerWaalsContact O-OG 3.05Å; D117-R268 HydrophobicContact CB-CB 3.93Å; D117-R268 PolarHBondContact N-O 2.96Å; D117-R268 PolarHBondContact O-N 3.37Å; D117-R268 IonicContact OD2-CZ 3.52Å; D117-R268 IonicContact OD2-NE 2.9Å; D117-R268 PolarHBondContact OD2-NE 2.92Å; D117-R268 IonicContact OD2-NH2 3.48Å; D117-R268 PolarHBondContact OD2-NH2 3.43Å
118	I	98.9	Very high	93.7	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.2	-174.6	-59.7	-61.2	0	0	0	110	F116 I120 A125 G126 I128 F161 V246 M250 V264 I265 I266	F116-I118 HydrophobicContact CB-CD1 3.78Å; F116-I118 HydrophobicContact CB-CG1 4.32Å; I118-I120 HydrophobicContact CG2-CG1 4.09Å; I118-A125 HydrophobicContact CB-CB 4.32Å; I118-A125 HydrophobicContact CG2-CB 4.1Å; I118-A125 WeakPolarHBondContact O-CB 3.35Å; I118-A125 PolarHBondContact O-N 3.39Å; I118-G126 PolarHBondContact N-O 3.41Å; I118-I128 HydrophobicContact CD1-CD1 4.22Å; I118-I128 HydrophobicContact CG1-CD1 3.66Å; I118-I128 HydrophobicContact CG1-CG1 4.18Å; I118-F161 HydrophobicContact CD1-CD2 4.46Å; I118-F161 HydrophobicContact CD1-CE2 3.81Å; I118-V246 HydrophobicContact CB-CG1 3.83Å; I118-V246 HydrophobicContact CG1-CG1 3.97Å; I118-V246 HydrophobicContact CG2-CG1 4.36Å; I118-M250 HydrophobicContact CG1-SD 4.33Å; I118-M250 HydrophobicContact CG2-CG 4.22Å; I118-M250 HydrophobicContact CG2-SD 4.26Å; I118-V264 HydrophobicContact CG2-CG1 3.93Å; I118-I265 WeakPolarHBondContact CA-O 3.42Å; I118-I266 HydrophobicContact CD1-CG1 4.01Å
119	R	98.8	Very high	96.2	Very high	93 Å²	93	54 Å²	54	35%	0.351	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.9	167.8	-174	-177.4	-179.8	108.9	-9.4	109.6	G121 N122 G123 D124 V264 I265	R119-G121 PolarHBondContact NE-O 3.1Å; R119-G121 VanDerWaalsContact NE-O 3.16Å; R119-N122 PolarHBondContact NH2-O 2.98Å; R119-G123 WeakPolarHBondContact CA-O 3.14Å; R119-G123 WeakPolarHBondContact CG-O 3.49Å; R119-D124 IonicContact NH1-OD1 3.31Å; R119-D124 PolarHBondContact NH1-OD1 3.34Å; R119-V264 WeakPolarHBondContact O-CA 3.45Å; R119-I265 PolarHBondContact N-O 3.13Å; R119-I265 PolarHBondContact O-N 3.05Å
120	I	98.6	Very high	98	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.2	175.3	-58.8	174.1	0	0	0	107.6	I118 N122 G123 A125 K249 M250 V253 E262 P263 V264	I118-I120 HydrophobicContact CG2-CG1 4.09Å; I120-N122 PolarHBondContact O-N 2.88Å; I120-N122 VanDerWaalsContact O-N 3.1Å; I120-G123 PolarHBondContact N-O 3.13Å; I120-G123 PolarHBondContact O-N 3.34Å; I120-A125 HydrophobicContact CD1-CB 3.69Å; I120-A125 HydrophobicContact CG1-CB 3.81Å; I120-K249 HydrophobicContact CD1-CB 3.94Å; I120-M250 HydrophobicContact CD1-CG 4.19Å; I120-V253 HydrophobicContact CG2-CB 4.39Å; I120-V253 HydrophobicContact CG2-CG1 3.65Å; I120-V253 HydrophobicContact CG2-CG2 3.94Å; I120-E262 HydrophobicContact CG2-CB 4.4Å; I120-P263 CarbonylContact C-O 3.54Å; I120-P263 WeakPolarHBondContact CA-O 3.49Å; I120-V264 HydrophobicContact CG1-CG1 4.45Å; I120-V264 HydrophobicContact CG1-CG2 4.29Å; I120-V264 HydrophobicContact CG2-CG2 4.47Å
121	G	97.6	Very high	98.4	Very high	15 Å²	15	40.5 Å²	40.5	16%	0.155	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-115.2	-172.7	0	0	0	0	0	111.2	R119 P263	R119-G121 PolarHBondContact NE-O 3.1Å; R119-G121 VanDerWaalsContact NE-O 3.16Å; G121-P263 PolarHBondContact N-O 3.3Å
122	N	96.3	Very high	98.5	Very high	152 Å²	152	38.7 Å²	38.7	81%	0.813	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.8	-178.9	-68.8	-22.7	0	0	0	114.3	R119 I120	R119-N122 PolarHBondContact NH2-O 2.98Å; I120-N122 PolarHBondContact O-N 2.88Å; I120-N122 VanDerWaalsContact O-N 3.1Å
123	G	97.4	Very high	98.5	Very high	38 Å²	38	41.2 Å²	41.2	39%	0.392	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.9	-175.4	0	0	0	0	0	113.4	R119 I120 A125	R119-G123 WeakPolarHBondContact CA-O 3.14Å; R119-G123 WeakPolarHBondContact CG-O 3.49Å; I120-G123 PolarHBondContact N-O 3.13Å; I120-G123 PolarHBondContact O-N 3.34Å; G123-A125 PolarHBondContact O-N 2.72Å
124	D	98.6	Very high	98.5	Very high	119 Å²	119	37.3 Å²	37.3	64%	0.636	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.2	171.2	-64.2	-16.7	0	0	0	109.4	R119	R119-D124 IonicContact NH1-OD1 3.31Å; R119-D124 PolarHBondContact NH1-OD1 3.34Å
125	A	98.5	Very high	98.4	Very high	9 Å²	9	40.9 Å²	40.9	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-27.6	-172.1	0	0	0	0	0	113.2	I118 I120 G123 V246 K249	I118-A125 HydrophobicContact CB-CB 4.32Å; I118-A125 HydrophobicContact CG2-CB 4.1Å; I118-A125 WeakPolarHBondContact O-CB 3.35Å; I118-A125 PolarHBondContact O-N 3.39Å; I120-A125 HydrophobicContact CD1-CB 3.69Å; I120-A125 HydrophobicContact CG1-CB 3.81Å; G123-A125 PolarHBondContact O-N 2.72Å; A125-V246 HydrophobicContact CB-CG1 4.07Å; A125-K249 HydrophobicContact CB-CD 4.35Å; A125-K249 PolarHBondContact O-NZ 3.31Å
126	G	98.7	Very high	98.3	Very high	33 Å²	33	42 Å²	42	34%	0.34	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	131.4	-169.7	179.8	0	0	0	0	0	112.6	I118	I118-G126 PolarHBondContact N-O 3.41Å
127	R	98.8	Very high	98.3	Very high	82 Å²	82	42 Å²	42	31%	0.309	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142	178	177.8	167.2	-70	170.1	8.9	111.8	F115 F116 D117 V129 G243 V246	F115-R127 HydrophobicContact CB-CG 4.04Å; F115-R127 HydrophobicContact CD2-CG 4.45Å; F115-R127 VanDerWaalsContact CD2-NE 3.32Å; F116-R127 CarbonylContact O-C 3.54Å; F116-R127 VanDerWaalsContact O-CA 3.29Å; F116-R127 WeakPolarHBondContact O-CA 3.28Å; D117-R127 VanDerWaalsContact CG-NH2 3.33Å; D117-R127 WeakPolarHBondContact OD1-CB 3.12Å; D117-R127 IonicContact OD1-CZ 3.83Å; D117-R127 VanDerWaalsContact OD1-CZ 3.25Å; D117-R127 IonicContact OD1-NE 3.94Å; D117-R127 PolarHBondContact OD1-NE 2.91Å; D117-R127 IonicContact OD1-NH2 2.87Å; D117-R127 PolarHBondContact OD1-NH2 3.39Å; D117-R127 IonicContact OD2-CZ 3.74Å; D117-R127 IonicContact OD2-NE 2.81Å; D117-R127 IonicContact OD2-NH2 3.29Å; D117-R127 PolarHBondContact OD2-NH2 3.19Å; R127-V129 HydrophobicContact CG-CG2 4.02Å; R127-G243 VanDerWaalsContact O-CA 3.24Å; R127-G243 WeakPolarHBondContact O-CA 3.44Å; R127-V246 WeakPolarHBondContact O-CG2 3.34Å
128	I	98.9	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.9	164.5	-59.5	169.2	0	0	0	107.2	F115 F116 I118 M130 V240 V246 V247 M250	F115-I128 CarbonylContact C-O 3.53Å; F115-I128 WeakPolarHBondContact CA-O 3.37Å; F116-I128 PolarHBondContact N-O 2.9Å; F116-I128 PolarHBondContact O-N 2.87Å; I118-I128 HydrophobicContact CD1-CD1 4.22Å; I118-I128 HydrophobicContact CG1-CD1 3.66Å; I118-I128 HydrophobicContact CG1-CG1 4.18Å; I128-M130 HydrophobicContact CG2-CE 4.36Å; I128-M130 HydrophobicContact CG2-CG 4.06Å; I128-M130 HydrophobicContact CG2-SD 4.4Å; I128-V240 HydrophobicContact CG2-CG1 3.92Å; I128-V240 HydrophobicContact CG2-CG2 3.86Å; I128-V246 HydrophobicContact CD1-CB 4.44Å; I128-V246 HydrophobicContact CD1-CG1 4.16Å; I128-V246 HydrophobicContact CG1-CB 3.83Å; I128-V246 HydrophobicContact CG1-CG1 3.86Å; I128-V247 HydrophobicContact CD1-CG2 3.72Å; I128-V247 HydrophobicContact CG1-CG2 4.07Å; I128-V247 HydrophobicContact CG2-CG2 4.34Å; I128-M250 HydrophobicContact CD1-SD 3.84Å
129	V	98.8	Very high	98.2	Very high	13 Å²	13	49.1 Å²	49.1	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.4	171.5	-174.2	0	0	0	0	108.9	R113 V114 R127 V240 V241 D242 L272	R113-V129 HydrophobicContact CB-CG1 4.48Å; V114-V129 WeakPolarHBondContact O-CA 3.32Å; R127-V129 HydrophobicContact CG-CG2 4.02Å; V129-V240 CarbonylContact O-C 3.54Å; V129-V240 WeakPolarHBondContact O-CA 3.05Å; V129-V241 HydrophobicContact CB-CG2 4.09Å; V129-V241 HydrophobicContact CG1-CG2 3.76Å; V129-V241 WeakPolarHBondContact O-CG2 3.41Å; V129-V241 PolarHBondContact O-N 3.44Å; V129-D242 HydrophobicContact CB-CB 3.94Å; V129-D242 HydrophobicContact CG2-CB 4.04Å; V129-D242 PolarHBondContact N-O 2.95Å; V129-D242 PolarHBondContact O-N 3.26Å; V129-L272 HydrophobicContact CG1-CD1 3.86Å; V129-L272 HydrophobicContact CG2-CD1 4.03Å
130	M	98.8	Very high	98.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.7	-178.7	-63.3	154.1	-76.1	0	0	109.9	R113 V114 F116 I128 L132 F144 L206 R239 V240	R113-M130 WeakPolarHBondContact CA-O 3.4Å; V114-M130 HydrophobicContact CG2-CB 3.98Å; V114-M130 HydrophobicContact CG2-CE 4.01Å; V114-M130 PolarHBondContact N-O 3.05Å; V114-M130 PolarHBondContact O-N 2.69Å; F116-M130 HydrophobicContact CB-CE 4.46Å; F116-M130 HydrophobicContact CD1-CE 4.15Å; F116-M130 HydrophobicContact CD2-CE 3.37Å; F116-M130 HydrophobicContact CD2-SD 4.15Å; F116-M130 HydrophobicContact CE1-CE 4.25Å; F116-M130 HydrophobicContact CE2-CE 3.46Å; F116-M130 VanDerWaalsContact CE2-CE 3.46Å; F116-M130 HydrophobicContact CE2-SD 3.91Å; F116-M130 HydrophobicContact CG-CE 3.73Å; F116-M130 HydrophobicContact CZ-CE 3.93Å; I128-M130 HydrophobicContact CG2-CE 4.36Å; I128-M130 HydrophobicContact CG2-CG 4.06Å; I128-M130 HydrophobicContact CG2-SD 4.4Å; M130-L132 HydrophobicContact CB-CD2 4.46Å; M130-F144 HydrophobicContact CE-CE1 4.32Å; M130-F144 HydrophobicContact SD-CE1 4.09Å; M130-F144 HydrophobicContact SD-CZ 4.12Å; M130-L206 HydrophobicContact CB-CD2 4.22Å; M130-L206 HydrophobicContact CG-CD2 4.24Å; M130-L206 HydrophobicContact SD-CD1 4.19Å; M130-L206 HydrophobicContact SD-CD2 3.83Å; M130-R239 CarbonylContact C-O 3.57Å; M130-R239 VanDerWaalsContact CA-O 3.28Å; M130-R239 WeakPolarHBondContact CA-O 3.43Å; M130-V240 HydrophobicContact CG-CG2 4.01Å
131	E	98.7	Very high	98.2	Very high	53 Å²	53	43.6 Å²	43.6	25%	0.248	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129	170.9	-171.5	169	-87.7	0	0	109.2	L111 R113 G238 R239 V241	L111-E131 HydrophobicContact CB-CG 3.69Å; L111-E131 HydrophobicContact CD1-CG 4.08Å; R113-E131 HydrophobicContact CG-CB 4.42Å; R113-E131 HydrophobicContact CG-CG 4.41Å; R113-E131 IonicContact CZ-OE1 3.25Å; R113-E131 IonicContact NE-OE1 2.71Å; R113-E131 PolarHBondContact NE-OE1 2.79Å; R113-E131 VanDerWaalsContact NE-OE1 3.07Å; R113-E131 IonicContact NH2-OE1 2.93Å; R113-E131 PolarHBondContact NH2-OE1 2.99Å; E131-G238 CarbonylContact O-C 3.5Å; E131-G238 WeakPolarHBondContact O-CA 3.12Å; E131-R239 PolarHBondContact N-O 2.94Å; E131-R239 PolarHBondContact O-N 3.49Å; E131-V241 HydrophobicContact CB-CG1 3.59Å; E131-V241 HydrophobicContact CB-CG2 4.3Å
132	L	98.7	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.3	-173.9	-51.3	-175.5	0	0	0	110.5	L111 P112 V114 M130 S134 A141 F144 R145 L206 F237	L111-L132 WeakPolarHBondContact CB-O 3.22Å; P112-L132 HydrophobicContact CB-CB 4.39Å; P112-L132 HydrophobicContact CB-CD1 4.32Å; P112-L132 PolarHBondContact O-N 2.88Å; V114-L132 HydrophobicContact CG1-CD1 3.94Å; V114-L132 HydrophobicContact CG2-CD1 4.06Å; V114-L132 HydrophobicContact CG2-CD2 3.94Å; V114-L132 HydrophobicContact CG2-CG 4.11Å; M130-L132 HydrophobicContact CB-CD2 4.46Å; L132-S134 PolarHBondContact O-N 2.87Å; L132-A141 HydrophobicContact CB-CB 4.01Å; L132-F144 HydrophobicContact CD1-CB 4.41Å; L132-F144 HydrophobicContact CD1-CD1 4.04Å; L132-F144 HydrophobicContact CD2-CD1 3.85Å; L132-F144 HydrophobicContact CD2-CE1 4.31Å; L132-R145 HydrophobicContact CD1-CB 3.96Å; L132-L206 HydrophobicContact CD2-CD2 3.9Å; L132-F237 HydrophobicContact CD2-CD2 4.18Å; L132-F237 HydrophobicContact CD2-CE2 4.17Å
133	R	98.4	Very high	98.4	Very high	78 Å²	78	38.3 Å²	38.3	29%	0.294	21%	0.205	S	C	.	.			trans	-80	59.8	-179.1	-68.2	-61.9	-56.5	-89.1	4	112.1	D135 I136 V137 L198 F237	R133-D135 VanDerWaalsContact C-OD1 3.23Å; R133-D135 VanDerWaalsContact CA-OD1 3.27Å; R133-D135 WeakPolarHBondContact CA-OD1 3.32Å; R133-D135 IonicContact CZ-OD1 3.41Å; R133-D135 IonicContact CZ-OD2 3.89Å; R133-D135 IonicContact NE-OD1 3.26Å; R133-D135 PolarHBondContact NE-OD1 2.96Å; R133-D135 IonicContact NE-OD2 3.52Å; R133-D135 PolarHBondContact NE-OD2 2.94Å; R133-D135 IonicContact NH2-OD1 2.73Å; R133-D135 IonicContact NH2-OD2 2.77Å; R133-D135 PolarHBondContact NH2-OD2 3.04Å; R133-D135 PolarHBondContact O-N 2.76Å; R133-D135 VanDerWaalsContact O-N 3.14Å; R133-I136 HydrophobicContact CB-CB 4.49Å; R133-I136 PolarHBondContact O-N 2.83Å; R133-V137 HydrophobicContact CB-CG2 4.47Å; R133-V137 WeakPolarHBondContact O-CG2 3.38Å; R133-V137 PolarHBondContact O-N 3.47Å; R133-L198 HydrophobicContact CB-CD1 3.6Å; R133-L198 HydrophobicContact CG-CD1 3.73Å; R133-F237 PolarHBondContact N-O 3.07Å
134	S	97.9	Very high	98.5	Very high	30 Å²	30	36.5 Å²	36.5	21%	0.21	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.9	176.7	62.5	0	0	0	0	113.5	P112 L132 P138	P112-S134 WeakPolarHBondContact CD-OG 3.33Å; L132-S134 PolarHBondContact O-N 2.87Å; S134-P138 WeakPolarHBondContact O-CB 3.4Å
135	D	97.4	Very high	98.5	Very high	76 Å²	76	32.2 Å²	32.2	41%	0.406	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.2	170.9	63	-46.6	0	0	0	113.3	L111 R133	L111-D135 HydrophobicContact CD2-CB 3.98Å; L111-D135 WeakPolarHBondContact CD2-OD1 3.34Å; R133-D135 VanDerWaalsContact C-OD1 3.23Å; R133-D135 VanDerWaalsContact CA-OD1 3.27Å; R133-D135 WeakPolarHBondContact CA-OD1 3.32Å; R133-D135 IonicContact CZ-OD1 3.41Å; R133-D135 IonicContact CZ-OD2 3.89Å; R133-D135 IonicContact NE-OD1 3.26Å; R133-D135 PolarHBondContact NE-OD1 2.96Å; R133-D135 IonicContact NE-OD2 3.52Å; R133-D135 PolarHBondContact NE-OD2 2.94Å; R133-D135 IonicContact NH2-OD1 2.73Å; R133-D135 IonicContact NH2-OD2 2.77Å; R133-D135 PolarHBondContact NH2-OD2 3.04Å; R133-D135 PolarHBondContact O-N 2.76Å; R133-D135 VanDerWaalsContact O-N 3.14Å
136	I	97.7	Very high	98.5	Very high	39 Å²	39	31.8 Å²	31.8	20%	0.2	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-40.2	-178.2	-51.5	-59.1	0	0	0	112.4	R133 P138 N195 Q197 L198	R133-I136 HydrophobicContact CB-CB 4.49Å; R133-I136 PolarHBondContact O-N 2.83Å; I136-P138 VanDerWaalsContact C-CD 3.5Å; I136-N195 PolarHBondContact O-ND2 2.88Å; I136-Q197 HydrophobicContact CG2-CB 3.88Å; I136-Q197 HydrophobicContact CG2-CG 4.44Å; I136-L198 HydrophobicContact CB-CD1 4.16Å; I136-L198 HydrophobicContact CB-CG 4.41Å; I136-L198 HydrophobicContact CG1-CD1 4.44Å; I136-L198 HydrophobicContact CG1-CD2 4.4Å; I136-L198 HydrophobicContact CG2-CD1 4.24Å; I136-L198 HydrophobicContact CG2-CG 4.05Å
137	V	98.2	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.			trans	-130.3	64.6	-177.3	-73.7	0	0	0	0	110.6	R133 R139 T140 A141 E194 N195 V235 F237	R133-V137 HydrophobicContact CB-CG2 4.47Å; R133-V137 WeakPolarHBondContact O-CG2 3.38Å; R133-V137 PolarHBondContact O-N 3.47Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.12Å; V137-T140 PolarHBondContact O-N 3.03Å; V137-A141 VanDerWaalsContact O-CB 3.27Å; V137-A141 WeakPolarHBondContact O-CB 3.48Å; V137-A141 PolarHBondContact O-N 3.05Å; V137-E194 VanDerWaalsContact C-CD 3.47Å; V137-E194 VanDerWaalsContact CA-CD 3.46Å; V137-E194 VanDerWaalsContact CA-OE2 3.27Å; V137-E194 WeakPolarHBondContact CA-OE2 3.35Å; V137-E194 HydrophobicContact CB-CG 4.44Å; V137-E194 VanDerWaalsContact CB-OE2 3.29Å; V137-E194 WeakPolarHBondContact CB-OE2 3.18Å; V137-E194 HydrophobicContact CG1-CB 4.35Å; V137-E194 HydrophobicContact CG1-CG 4.29Å; V137-N195 WeakPolarHBondContact CG1-ND2 3.45Å; V137-V235 HydrophobicContact CG1-CG1 4Å; V137-F237 HydrophobicContact CG2-CB 3.51Å
138	P	98.2	Very high	98.5	Very high	68 Å²	68	26.4 Å²	26.4	44%	0.442	13%	0.128	S	C	.	.	H	α-helix	trans	-56.1	-39.6	-174.1	21.1	-33.4	0	0	0	113.7	S134 I136 E142 E194	S134-P138 WeakPolarHBondContact O-CB 3.4Å; I136-P138 VanDerWaalsContact C-CD 3.5Å; P138-E142 WeakPolarHBondContact O-CB 3.3Å; P138-E142 PolarHBondContact O-N 3.14Å; P138-E194 WeakPolarHBondContact CD-OE1 3.34Å; P138-E194 WeakPolarHBondContact CG-OE1 3.3Å; P138-E194 VanDerWaalsContact N-OE1 3.16Å
139	R	98.3	Very high	98.5	Very high	110 Å²	110	28.8 Å²	28.8	42%	0.415	14%	0.142	S	C	.	.	H	α-helix	trans	-71.1	-41.6	-179.1	-64.2	-174.9	64.1	-159.2	-1.9	111.7	V137 N143 Y187 E194	V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.12Å; R139-N143 WeakPolarHBondContact O-CB 3.18Å; R139-N143 PolarHBondContact O-N 2.88Å; R139-Y187 VanDerWaalsContact CA-OH 3.3Å; R139-Y187 WeakPolarHBondContact CA-OH 3.46Å; R139-Y187 HydrophobicContact CB-CE2 4.14Å; R139-Y187 WeakPolarHBondContact O-CE2 3.43Å; R139-Y187 PolarHBondContact O-OH 3.06Å; R139-E194 WeakPolarHBondContact CB-OE1 3.09Å; R139-E194 PolarHBondContact N-OE1 3.48Å; R139-E194 PolarHBondContact N-OE2 2.81Å
140	T	98.5	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.6	-44	179.5	-51.1	0	0	0	0	110.5	V137 N143 F144 F191 E194 M208 V235 F237	V137-T140 PolarHBondContact O-N 3.03Å; T140-N143 PolarHBondContact O-N 2.95Å; T140-F144 PolarHBondContact O-N 2.9Å; T140-F191 HydrophobicContact CG2-CE2 4.48Å; T140-F191 HydrophobicContact CG2-CZ 4.25Å; T140-E194 WeakPolarHBondContact CB-OE2 3.16Å; T140-E194 PolarHBondContact N-OE2 3.11Å; T140-E194 PolarHBondContact OG1-OE2 2.78Å; T140-M208 HydrophobicContact CG2-CG 3.59Å; T140-M208 HydrophobicContact CG2-SD 4Å; T140-V235 HydrophobicContact CG2-CG1 4.13Å; T140-F237 HydrophobicContact CG2-CB 3.62Å; T140-F237 HydrophobicContact CG2-CD1 3.74Å; T140-F237 HydrophobicContact CG2-CD2 4.44Å; T140-F237 HydrophobicContact CG2-CG 3.69Å
141	A	98.6	Very high	98.4	Very high	1 Å²	1	34 Å²	34	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-46.9	174.3	0	0	0	0	0	111.5	L132 V137 N143 F144 R145	L132-A141 HydrophobicContact CB-CB 4.01Å; V137-A141 VanDerWaalsContact O-CB 3.27Å; V137-A141 WeakPolarHBondContact O-CB 3.48Å; V137-A141 PolarHBondContact O-N 3.05Å; A141-N143 PolarHBondContact O-N 2.82Å; A141-F144 PolarHBondContact O-N 3.36Å; A141-R145 WeakPolarHBondContact O-CB 3.37Å; A141-R145 PolarHBondContact O-N 3.42Å
142	E	98.6	Very high	98.3	Very high	55 Å²	55	36.8 Å²	36.8	26%	0.257	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-40.3	178.1	175.4	54.3	-159	0	0	112.5	P138 F144 R145 A146 R152 I186	P138-E142 WeakPolarHBondContact O-CB 3.3Å; P138-E142 PolarHBondContact O-N 3.14Å; E142-F144 VanDerWaalsContact C-N 3.33Å; E142-F144 PolarHBondContact O-N 2.8Å; E142-R145 PolarHBondContact O-N 3.46Å; E142-R145 IonicContact OE1-CZ 2.91Å; E142-R145 IonicContact OE1-NE 3.01Å; E142-R145 IonicContact OE1-NH2 3.35Å; E142-R145 PolarHBondContact OE1-NH2 3.29Å; E142-R145 IonicContact OE2-CZ 3.46Å; E142-R145 IonicContact OE2-NE 2.8Å; E142-R145 PolarHBondContact OE2-NE 3.13Å; E142-R145 IonicContact OE2-NH2 3.07Å; E142-R145 PolarHBondContact OE2-NH2 2.73Å; E142-A146 VanDerWaalsContact O-CB 3.3Å; E142-A146 WeakPolarHBondContact O-CB 3.19Å; E142-A146 PolarHBondContact O-N 3.26Å; E142-R152 IonicContact OE1-NH2 3.77Å; E142-I186 HydrophobicContact CG-CD1 3.94Å
143	N	98.7	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-48.7	173.5	174.8	63.4	0	0	0	111.3	R139 T140 A141 L147 S185 I186 Y187 G217	R139-N143 WeakPolarHBondContact O-CB 3.18Å; R139-N143 PolarHBondContact O-N 2.88Å; T140-N143 PolarHBondContact O-N 2.95Å; A141-N143 PolarHBondContact O-N 2.82Å; N143-L147 WeakPolarHBondContact O-CB 3.41Å; N143-L147 WeakPolarHBondContact O-CG 3.29Å; N143-L147 PolarHBondContact O-N 2.79Å; N143-L147 VanDerWaalsContact O-N 3.1Å; N143-S185 WeakPolarHBondContact OD1-CA 3.3Å; N143-S185 WeakPolarHBondContact OD1-CB 3.33Å; N143-I186 HydrophobicContact CB-CD1 4.43Å; N143-I186 HydrophobicContact CB-CG1 4.15Å; N143-I186 PolarHBondContact OD1-N 3.31Å; N143-Y187 HydrophobicContact CB-CD2 4.49Å; N143-Y187 HydrophobicContact CB-CE2 3.8Å; N143-G217 PolarHBondContact ND2-O 3.33Å; N143-G217 VanDerWaalsContact ND2-O 3.09Å
144	F	98.9	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-44.2	-179.6	-165.8	-94.6	0	0	0	112	V114 F116 M130 L132 T140 A141 E142 L147 C148 Y156 L206 F220 F237	V114-F144 HydrophobicContact CG2-CD1 3.93Å; V114-F144 HydrophobicContact CG2-CE1 3.7Å; F116-F144 AromaticContact CE2-CZ 3.88Å; F116-F144 HydrophobicContact CE2-CZ 3.88Å; F116-F144 HydrophobicContact CZ-CE1 4Å; F116-F144 HydrophobicContact CZ-CE2 4.42Å; F116-F144 AromaticContact CZ-CZ 3.53Å; F116-F144 HydrophobicContact CZ-CZ 3.53Å; M130-F144 HydrophobicContact CE-CE1 4.32Å; M130-F144 HydrophobicContact SD-CE1 4.09Å; M130-F144 HydrophobicContact SD-CZ 4.12Å; L132-F144 HydrophobicContact CD1-CB 4.41Å; L132-F144 HydrophobicContact CD1-CD1 4.04Å; L132-F144 HydrophobicContact CD2-CD1 3.85Å; L132-F144 HydrophobicContact CD2-CE1 4.31Å; T140-F144 PolarHBondContact O-N 2.9Å; A141-F144 PolarHBondContact O-N 3.36Å; E142-F144 VanDerWaalsContact C-N 3.33Å; E142-F144 PolarHBondContact O-N 2.8Å; F144-L147 PolarHBondContact O-N 3.23Å; F144-C148 WeakPolarHBondContact CE1-SG 3.2Å; F144-C148 PolarHBondContact O-N 3.25Å; F144-C148 PolarHBondContact O-SG 3.25Å; F144-Y156 AromaticContact CD2-CE2 3.71Å; F144-Y156 HydrophobicContact CD2-CE2 3.71Å; F144-Y156 AromaticContact CD2-CZ 3.94Å; F144-Y156 WeakPolarHBondContact CD2-OH 3.27Å; F144-Y156 AromaticContact CE2-CE2 3.63Å; F144-Y156 HydrophobicContact CE2-CE2 3.63Å; F144-Y156 AromaticContact CE2-CZ 3.91Å; F144-Y156 HydrophobicContact CG-CE2 4.2Å; F144-Y156 HydrophobicContact CZ-CE2 4.07Å; F144-L206 HydrophobicContact CD1-CD2 4.27Å; F144-L206 HydrophobicContact CE1-CD2 3.79Å; F144-L206 HydrophobicContact CE2-CD1 4.39Å; F144-L206 HydrophobicContact CE2-CD2 4.28Å; F144-L206 HydrophobicContact CZ-CD1 4.18Å; F144-L206 HydrophobicContact CZ-CD2 3.79Å; F144-F220 HydrophobicContact CD2-CD1 4.44Å; F144-F220 HydrophobicContact CE2-CB 3.96Å; F144-F220 AromaticContact CE2-CD1 3.52Å; F144-F220 HydrophobicContact CE2-CD1 3.52Å; F144-F220 HydrophobicContact CE2-CD2 4.02Å; F144-F220 AromaticContact CE2-CE1 3.93Å; F144-F220 HydrophobicContact CE2-CE1 3.93Å; F144-F220 HydrophobicContact CE2-CE2 4.4Å; F144-F220 AromaticContact CE2-CG 3.56Å; F144-F220 HydrophobicContact CE2-CG 3.56Å; F144-F220 HydrophobicContact CE2-CZ 4.36Å; F144-F220 HydrophobicContact CZ-CD1 4.29Å; F144-F220 HydrophobicContact CZ-CD2 4.32Å; F144-F220 HydrophobicContact CZ-CE1 4.31Å; F144-F220 HydrophobicContact CZ-CE2 4.36Å; F144-F220 HydrophobicContact CZ-CG 4.3Å; F144-F220 HydrophobicContact CZ-CZ 4.36Å; F144-F237 HydrophobicContact CB-CD2 4.21Å; F144-F237 HydrophobicContact CB-CE2 3.56Å; F144-F237 HydrophobicContact CB-CZ 4.19Å; F144-F237 AromaticContact CD1-CE2 3.85Å; F144-F237 HydrophobicContact CD1-CE2 3.85Å; F144-F237 AromaticContact CD2-CE2 3.42Å; F144-F237 HydrophobicContact CD2-CE2 3.42Å; F144-F237 VanDerWaalsContact CD2-CE2 3.42Å; F144-F237 AromaticContact CD2-CZ 3.31Å; F144-F237 HydrophobicContact CD2-CZ 3.31Å; F144-F237 HydrophobicContact CE1-CE2 4.37Å; F144-F237 AromaticContact CE2-CE2 3.99Å; F144-F237 HydrophobicContact CE2-CE2 3.99Å; F144-F237 AromaticContact CE2-CZ 3.7Å; F144-F237 HydrophobicContact CE2-CZ 3.7Å; F144-F237 HydrophobicContact CG-CD2 4.37Å; F144-F237 AromaticContact CG-CE2 3.32Å; F144-F237 HydrophobicContact CG-CE2 3.32Å; F144-F237 AromaticContact CG-CZ 3.78Å; F144-F237 HydrophobicContact CG-CZ 3.78Å; F144-F237 HydrophobicContact CZ-CE2 4.43Å; F144-F237 HydrophobicContact CZ-CZ 4.44Å
145	R	98.7	Very high	98.3	Very high	30 Å²	30	38.2 Å²	38.2	11%	0.113	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-51.9	177.8	-171.1	-156.8	68.2	71.3	6.9	111.8	P112 V114 L132 A141 E142 L147 C148 T149 E151 E271	P112-R145 HydrophobicContact CB-CG 4.43Å; V114-R145 HydrophobicContact CG1-CB 4.36Å; V114-R145 HydrophobicContact CG1-CG 4.07Å; L132-R145 HydrophobicContact CD1-CB 3.96Å; A141-R145 WeakPolarHBondContact O-CB 3.37Å; A141-R145 PolarHBondContact O-N 3.42Å; E142-R145 PolarHBondContact O-N 3.46Å; E142-R145 IonicContact OE1-CZ 2.91Å; E142-R145 IonicContact OE1-NE 3.01Å; E142-R145 IonicContact OE1-NH2 3.35Å; E142-R145 PolarHBondContact OE1-NH2 3.29Å; E142-R145 IonicContact OE2-CZ 3.46Å; E142-R145 IonicContact OE2-NE 2.8Å; E142-R145 PolarHBondContact OE2-NE 3.13Å; E142-R145 IonicContact OE2-NH2 3.07Å; E142-R145 PolarHBondContact OE2-NH2 2.73Å; R145-L147 VanDerWaalsContact C-N 3.28Å; R145-L147 PolarHBondContact O-N 3.23Å; R145-C148 WeakPolarHBondContact O-CA 3.44Å; R145-C148 VanDerWaalsContact O-CB 3.32Å; R145-C148 WeakPolarHBondContact O-CB 3.3Å; R145-C148 PolarHBondContact O-N 2.91Å; R145-T149 PolarHBondContact O-N 3.39Å; R145-T149 PolarHBondContact O-OG1 2.63Å; R145-E151 IonicContact CZ-OE2 2.78Å; R145-E151 IonicContact NH1-OE2 3.63Å; R145-E151 PolarHBondContact NH1-OE2 3.16Å; R145-E151 IonicContact NH2-OE1 2.82Å; R145-E151 PolarHBondContact NH2-OE1 3.27Å; R145-E151 IonicContact NH2-OE2 3.79Å; R145-E151 PolarHBondContact NH2-OE2 2.84Å; R145-E271 WeakPolarHBondContact CD-OE1 3.35Å; R145-E271 WeakPolarHBondContact CD-OE2 3.37Å; R145-E271 IonicContact CZ-OE2 3.05Å; R145-E271 IonicContact NE-OE2 3.74Å; R145-E271 IonicContact NH1-OE2 3.71Å; R145-E271 PolarHBondContact NH1-OE2 3.37Å
146	A	98.6	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-32.3	179.9	0	0	0	0	0	112.8	E142 T149 G150 E151 R152 I186	E142-A146 VanDerWaalsContact O-CB 3.3Å; E142-A146 WeakPolarHBondContact O-CB 3.19Å; E142-A146 PolarHBondContact O-N 3.26Å; A146-T149 PolarHBondContact O-OG1 2.88Å; A146-G150 PolarHBondContact O-N 3.42Å; A146-E151 HydrophobicContact CB-CG 4.01Å; A146-R152 HydrophobicContact CB-CG 4.39Å; A146-I186 HydrophobicContact CB-CD1 4.15Å; A146-I186 HydrophobicContact CB-CG2 3.82Å
147	L	98.7	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-72.5	-30	172.2	-70.1	173.8	0	0	0	112.5	N143 F144 R145 F154 G155 Y156 F175 I186	N143-L147 WeakPolarHBondContact O-CB 3.41Å; N143-L147 WeakPolarHBondContact O-CG 3.29Å; N143-L147 PolarHBondContact O-N 2.79Å; N143-L147 VanDerWaalsContact O-N 3.1Å; F144-L147 PolarHBondContact O-N 3.23Å; R145-L147 VanDerWaalsContact C-N 3.28Å; R145-L147 PolarHBondContact O-N 3.23Å; L147-F154 HydrophobicContact CD2-CD2 3.6Å; L147-F154 HydrophobicContact CD2-CE2 3.62Å; L147-G155 CarbonylContact O-C 3.5Å; L147-G155 WeakPolarHBondContact O-CA 3.27Å; L147-Y156 HydrophobicContact CB-CD2 3.76Å; L147-Y156 HydrophobicContact CB-CE1 4.23Å; L147-Y156 HydrophobicContact CB-CE2 3.38Å; L147-Y156 HydrophobicContact CB-CG 4.34Å; L147-Y156 HydrophobicContact CD1-CE1 4.14Å; L147-Y156 HydrophobicContact CD1-CE2 4.26Å; L147-Y156 VanDerWaalsContact CD1-OH 3.29Å; L147-Y156 WeakPolarHBondContact CD1-OH 3.36Å; L147-Y156 HydrophobicContact CG-CE2 4.47Å; L147-Y156 PolarHBondContact O-N 2.9Å; L147-F175 HydrophobicContact CD1-CE1 4.32Å; L147-F175 HydrophobicContact CD2-CE1 3.64Å; L147-F175 HydrophobicContact CD2-CZ 3.91Å; L147-I186 HydrophobicContact CD2-CG2 4.42Å; L147-I186 HydrophobicContact CG-CG2 4.34Å
148	C	98.8	Very high	98.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-42.3	170.9	-69.8	0	0	0	0	111.9	V114 F116 F144 R145 C269 G270	V114-C148 HydrophobicContact CB-CB 4.11Å; V114-C148 HydrophobicContact CG1-CB 4.06Å; F116-C148 VanDerWaalsContact CE1-SG 3.51Å; F144-C148 WeakPolarHBondContact CE1-SG 3.2Å; F144-C148 PolarHBondContact O-N 3.25Å; F144-C148 PolarHBondContact O-SG 3.25Å; R145-C148 WeakPolarHBondContact O-CA 3.44Å; R145-C148 VanDerWaalsContact O-CB 3.32Å; R145-C148 WeakPolarHBondContact O-CB 3.3Å; R145-C148 PolarHBondContact O-N 2.91Å; C148-C269 CarbonylContact O-C 3.46Å; C148-C269 VanDerWaalsContact O-C 3.32Å; C148-C269 PolarHBondContact O-SG 2.93Å; C148-G270 PolarHBondContact O-N 3.07Å
149	T	98.6	Very high	98.4	Very high	50 Å²	50	40 Å²	40	31%	0.307	21%	0.214	S	C	.	.	H	α-helix	trans	-77.8	-24.9	-179.8	61.6	0	0	0	0	112.8	R145 A146 E151 E271	R145-T149 PolarHBondContact O-N 3.39Å; R145-T149 PolarHBondContact O-OG1 2.63Å; A146-T149 PolarHBondContact O-OG1 2.88Å; T149-E151 PolarHBondContact O-N 3.4Å; T149-E151 WeakPolarHBondContact OG1-CG 3.2Å; T149-E151 PolarHBondContact OG1-N 3.28Å; T149-E151 PolarHBondContact OG1-OE2 3.24Å; T149-E271 HydrophobicContact CG2-CB 3.83Å
150	G	98.3	Very high	98.4	Very high	28 Å²	28	36 Å²	36	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	13.2	-175.2	0	0	0	0	0	113.5	A146 R152 G153	A146-G150 PolarHBondContact O-N 3.42Å; G150-R152 PolarHBondContact O-N 2.91Å; G150-G153 PolarHBondContact O-N 3.27Å
151	E	98.2	Very high	98.4	Very high	94 Å²	94	36.1 Å²	36.1	44%	0.439	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.5	-173.5	67	-178.4	-135.2	0	0	113.9	R145 A146 T149 G153	R145-E151 IonicContact CZ-OE2 2.78Å; R145-E151 IonicContact NH1-OE2 3.63Å; R145-E151 PolarHBondContact NH1-OE2 3.16Å; R145-E151 IonicContact NH2-OE1 2.82Å; R145-E151 PolarHBondContact NH2-OE1 3.27Å; R145-E151 IonicContact NH2-OE2 3.79Å; R145-E151 PolarHBondContact NH2-OE2 2.84Å; A146-E151 HydrophobicContact CB-CG 4.01Å; T149-E151 PolarHBondContact O-N 3.4Å; T149-E151 WeakPolarHBondContact OG1-CG 3.2Å; T149-E151 PolarHBondContact OG1-N 3.28Å; T149-E151 PolarHBondContact OG1-OE2 3.24Å; E151-G153 VanDerWaalsContact C-N 3.31Å
152	R	96.9	Very high	98.4	Very high	112 Å²	112	38 Å²	38	42%	0.423	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	11.6	176.6	-51.3	-55.7	-179.6	83.9	4.4	113.3	E142 A146 G150 F154 I186	E142-R152 IonicContact OE1-NH2 3.77Å; A146-R152 HydrophobicContact CB-CG 4.39Å; G150-R152 PolarHBondContact O-N 2.91Å; R152-F154 VanDerWaalsContact C-N 3.32Å; R152-F154 HydrophobicContact CB-CD1 4.35Å; R152-F154 HydrophobicContact CB-CE1 3.85Å; R152-F154 HydrophobicContact CB-CZ 4.06Å; R152-F154 WeakPolarHBondContact O-CD1 3.28Å; R152-F154 WeakPolarHBondContact O-CE1 3.38Å; R152-I186 HydrophobicContact CG-CB 4.35Å; R152-I186 HydrophobicContact CG-CG2 3.85Å
153	G	97.9	Very high	98.4	Very high	76 Å²	76	36.6 Å²	36.6	78%	0.784	20%	0.204	S	C	*	.	S	Bend	trans	80.6	6.5	-179	0	0	0	0	0	114.8	G150 E151	G150-G153 PolarHBondContact O-N 3.27Å; E151-G153 VanDerWaalsContact C-N 3.31Å
154	F	98.4	Very high	98.3	Very high	50 Å²	50	36.6 Å²	36.6	22%	0.219	20%	0.204	C	C	.	.			trans	-152.6	155.2	174.9	56.5	-90.5	0	0	0	109.6	L147 R152 F175 K184 I186	L147-F154 HydrophobicContact CD2-CD2 3.6Å; L147-F154 HydrophobicContact CD2-CE2 3.62Å; R152-F154 VanDerWaalsContact C-N 3.32Å; R152-F154 HydrophobicContact CB-CD1 4.35Å; R152-F154 HydrophobicContact CB-CE1 3.85Å; R152-F154 HydrophobicContact CB-CZ 4.06Å; R152-F154 WeakPolarHBondContact O-CD1 3.28Å; R152-F154 WeakPolarHBondContact O-CE1 3.38Å; F154-F175 HydrophobicContact CB-CE2 4.16Å; F154-F175 HydrophobicContact CD2-CE1 4.45Å; F154-F175 AromaticContact CD2-CE2 3.83Å; F154-F175 HydrophobicContact CD2-CE2 3.83Å; F154-F175 AromaticContact CD2-CZ 3.54Å; F154-F175 HydrophobicContact CD2-CZ 3.54Å; F154-F175 HydrophobicContact CE2-CZ 4.16Å; F154-F175 HydrophobicContact CG-CE2 4.35Å; F154-F175 HydrophobicContact CG-CZ 4.47Å; F154-K184 HydrophobicContact CD2-CD 4.5Å; F154-K184 VanDerWaalsContact CD2-CE 3.48Å; F154-K184 HydrophobicContact CD2-CG 4.35Å; F154-K184 HydrophobicContact CE2-CD 4.26Å; F154-K184 HydrophobicContact CE2-CG 4.08Å; F154-K184 VanDerWaalsContact CG-CE 3.47Å; F154-K184 HydrophobicContact CZ-CD 4.38Å; F154-I186 HydrophobicContact CE2-CG2 4.49Å
155	G	97.9	Very high	98.3	Very high	13 Å²	13	37 Å²	37	13%	0.134	21%	0.206	C	C	.	.			trans	174.4	-165.6	-175.1	0	0	0	0	0	114.1	L147 H157 F175	L147-G155 CarbonylContact O-C 3.5Å; L147-G155 WeakPolarHBondContact O-CA 3.27Å; G155-H157 VanDerWaalsContact C-N 3.34Å; G155-H157 PolarHBondContact O-N 3.08Å; G155-F175 VanDerWaalsContact O-CB 3.3Å; G155-F175 WeakPolarHBondContact O-CB 3.32Å; G155-F175 WeakPolarHBondContact O-CG 3.19Å
156	Y	98.9	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-82.4	-5.7	-174.5	-60.6	-49	0	0	0	114.9	F116 F144 L147 N158 C159 F175 S218 F220	F116-Y156 AromaticContact CE1-CD2 3.95Å; F116-Y156 HydrophobicContact CE1-CD2 3.95Å; F116-Y156 HydrophobicContact CE1-CG 4.4Å; F116-Y156 AromaticContact CZ-CD2 3.84Å; F116-Y156 HydrophobicContact CZ-CD2 3.84Å; F116-Y156 HydrophobicContact CZ-CE2 4.38Å; F116-Y156 HydrophobicContact CZ-CG 4.35Å; F144-Y156 AromaticContact CD2-CE2 3.71Å; F144-Y156 HydrophobicContact CD2-CE2 3.71Å; F144-Y156 AromaticContact CD2-CZ 3.94Å; F144-Y156 WeakPolarHBondContact CD2-OH 3.27Å; F144-Y156 AromaticContact CE2-CE2 3.63Å; F144-Y156 HydrophobicContact CE2-CE2 3.63Å; F144-Y156 AromaticContact CE2-CZ 3.91Å; F144-Y156 HydrophobicContact CG-CE2 4.2Å; F144-Y156 HydrophobicContact CZ-CE2 4.07Å; L147-Y156 HydrophobicContact CB-CD2 3.76Å; L147-Y156 HydrophobicContact CB-CE1 4.23Å; L147-Y156 HydrophobicContact CB-CE2 3.38Å; L147-Y156 HydrophobicContact CB-CG 4.34Å; L147-Y156 HydrophobicContact CD1-CE1 4.14Å; L147-Y156 HydrophobicContact CD1-CE2 4.26Å; L147-Y156 VanDerWaalsContact CD1-OH 3.29Å; L147-Y156 WeakPolarHBondContact CD1-OH 3.36Å; L147-Y156 HydrophobicContact CG-CE2 4.47Å; L147-Y156 PolarHBondContact O-N 2.9Å; Y156-N158 PolarHBondContact O-N 3.09Å; Y156-C159 WeakPolarHBondContact O-CB 3.42Å; Y156-C159 PolarHBondContact O-N 2.66Å; Y156-F175 HydrophobicContact CD1-CD1 4.13Å; Y156-F175 HydrophobicContact CE1-CD1 4.26Å; Y156-S218 VanDerWaalsContact CE1-O 3.3Å; Y156-S218 WeakPolarHBondContact CE1-O 3.34Å; Y156-S218 PolarHBondContact OH-O 3.09Å; Y156-F220 HydrophobicContact CD1-CE1 4.18Å; Y156-F220 HydrophobicContact CE1-CD1 4.04Å; Y156-F220 AromaticContact CE1-CE1 3.92Å; Y156-F220 HydrophobicContact CE1-CE1 3.92Å; Y156-F220 HydrophobicContact CE2-CE1 4.35Å; Y156-F220 AromaticContact CZ-CD1 3.91Å; Y156-F220 AromaticContact CZ-CE1 4Å
157	H	98.6	Very high	98	Very high	109 Å²	109	43.4 Å²	43.4	51%	0.505	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	126.3	178.1	-178.7	56.1	0	0	0	110.3	G155 C159 S267 C269	G155-H157 VanDerWaalsContact C-N 3.34Å; G155-H157 PolarHBondContact O-N 3.08Å; H157-C159 PolarHBondContact O-N 3.46Å; H157-S267 PolarHBondContact CE1-O 3.11Å; H157-S267 PolarHBondContact ND1-O 3.41Å; H157-C269 PolarHBondContact N-SG 2.93Å
158	N	98.4	Very high	97.9	Very high	104 Å²	104	43.5 Å²	43.5	56%	0.556	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	12.6	-172	-64.8	-47	0	0	0	115.9	Y156 I266	Y156-N158 PolarHBondContact O-N 3.09Å; N158-I266 WeakPolarHBondContact CA-O 3.24Å; N158-I266 PolarHBondContact N-O 3.37Å
159	C	98.4	Very high	97.8	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.041	24%	0.241	C	C	.	.			trans	-74.4	153.7	170.3	-172.3	0	0	0	0	110.8	Y156 H157 D174 F175 I266	Y156-C159 WeakPolarHBondContact O-CB 3.42Å; Y156-C159 PolarHBondContact O-N 2.66Å; H157-C159 PolarHBondContact O-N 3.46Å; C159-D174 VanDerWaalsContact SG-C 3.52Å; C159-F175 HydrophobicContact CB-CB 4.1Å; C159-I266 HydrophobicContact CB-CD1 4.42Å; C159-I266 PolarHBondContact O-N 3.05Å
160	C	98.3	Very high	97.8	Very high	27 Å²	27	41.1 Å²	41.1	18%	0.182	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-102.4	160.6	177.8	70.8	0	0	0	0	113.5	G172 G178 V264 I265	C160-G172 WeakPolarHBondContact O-CA 3.38Å; C160-G178 PolarHBondContact SG-O 3.4Å; C160-G178 VanDerWaalsContact SG-O 3.41Å; C160-V264 CarbonylContact C-O 3.5Å; C160-V264 WeakPolarHBondContact CA-O 3.09Å; C160-V264 WeakPolarHBondContact CB-O 3.43Å; C160-I265 HydrophobicContact CB-CD1 3.67Å
161	F	98.7	Very high	97.8	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	21%	0.212	C	C	.	.			trans	-86.3	103.5	153.7	-73.9	-99	0	0	0	108	F116 I118 V164 C170 Q171 F220 I222 M250 V264 I266	F116-F161 HydrophobicContact CD2-CZ 4.47Å; I118-F161 HydrophobicContact CD1-CD2 4.46Å; I118-F161 HydrophobicContact CD1-CE2 3.81Å; F161-V164 HydrophobicContact CB-CG2 4.33Å; F161-C170 HydrophobicContact CD1-CB 3.87Å; F161-C170 HydrophobicContact CE1-CB 4.11Å; F161-Q171 CarbonylContact C-O 3.53Å; F161-Q171 WeakPolarHBondContact CA-O 3.27Å; F161-Q171 VanDerWaalsContact CD1-C 3.47Å; F161-F220 AromaticContact CE1-CE2 3.75Å; F161-F220 HydrophobicContact CE1-CE2 3.75Å; F161-F220 HydrophobicContact CE1-CZ 4.09Å; F161-F220 HydrophobicContact CE2-CZ 4.5Å; F161-F220 AromaticContact CZ-CE2 3.71Å; F161-F220 HydrophobicContact CZ-CE2 3.71Å; F161-F220 AromaticContact CZ-CZ 3.78Å; F161-F220 HydrophobicContact CZ-CZ 3.78Å; F161-I222 HydrophobicContact CE1-CD1 4.28Å; F161-I222 HydrophobicContact CZ-CD1 4.19Å; F161-M250 HydrophobicContact CB-CE 4.18Å; F161-M250 HydrophobicContact CD1-CE 3.41Å; F161-M250 VanDerWaalsContact CD1-CE 3.41Å; F161-M250 HydrophobicContact CD2-CE 3.57Å; F161-M250 HydrophobicContact CE1-CE 3.53Å; F161-M250 HydrophobicContact CE2-CE 3.68Å; F161-M250 HydrophobicContact CE2-SD 4.49Å; F161-M250 HydrophobicContact CG-CE 3.44Å; F161-M250 VanDerWaalsContact CG-CE 3.44Å; F161-M250 HydrophobicContact CZ-CE 3.66Å; F161-V264 HydrophobicContact CB-CB 4.07Å; F161-V264 HydrophobicContact CB-CG1 3.95Å; F161-V264 HydrophobicContact CD2-CG1 3.89Å; F161-V264 HydrophobicContact CG-CG1 4.21Å; F161-V264 PolarHBondContact N-O 2.83Å; F161-I266 HydrophobicContact CD2-CG1 4.36Å; F161-I266 HydrophobicContact CE2-CD1 4.06Å; F161-I266 HydrophobicContact CE2-CG1 3.88Å
162	H	98.1	Very high	97.8	Very high	39 Å²	39	35.3 Å²	35.3	18%	0.181	19%	0.192	C	C	.	.			trans	-85.1	-11.5	-175.7	59.4	-89.7	0	0	0	112.7	Q171 G180 Q219	H162-Q171 PolarHBondContact N-O 3.49Å; H162-Q171 VanDerWaalsContact N-O 3.13Å; H162-Q171 PolarHBondContact NE2-NE2 3.29Å; H162-G180 WeakPolarHBondContact NE2-CA 3.19Å; H162-Q219 PolarHBondContact CE1-OE1 3.2Å
163	R	97.9	Very high	97.9	Very high	26 Å²	26	30 Å²	30	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	126.7	177.4	-165.6	178.8	-170.4	171.9	-0.8	112.2	W60 I165 Q171 G258	W60-R163 VanDerWaalsContact O-CZ 3.26Å; W60-R163 PolarHBondContact O-NH1 3.28Å; W60-R163 PolarHBondContact O-NH2 2.85Å; R163-I165 HydrophobicContact CG-CG1 4.46Å; R163-Q171 HydrophobicContact CB-CB 4.12Å; R163-Q171 PolarHBondContact N-O 2.9Å; R163-Q171 PolarHBondContact O-N 2.88Å; R163-G258 CarbonylContact C-O 3.55Å; R163-G258 VanDerWaalsContact CA-O 3.25Å; R163-G258 WeakPolarHBondContact CA-O 3.3Å; R163-G258 WeakPolarHBondContact CG-O 3.41Å
164	V	98.3	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	111.2	176.9	-178.2	0	0	0	0	109.4	F161 C170 M250 G254 S255 G258 V260	F161-V164 HydrophobicContact CB-CG2 4.33Å; V164-C170 HydrophobicContact CG2-CB 4.26Å; V164-M250 WeakPolarHBondContact CG1-O 3.44Å; V164-G254 VanDerWaalsContact O-CA 3.28Å; V164-G254 WeakPolarHBondContact O-CA 3.46Å; V164-S255 PolarHBondContact O-N 3.49Å; V164-G258 PolarHBondContact N-O 3.38Å; V164-G258 WeakPolarHBondContact O-CA 3.32Å; V164-V260 HydrophobicContact CB-CG2 4.19Å; V164-V260 HydrophobicContact CG2-CG1 4.43Å; V164-V260 HydrophobicContact CG2-CG2 3.89Å
165	I	97.7	Very high	97.9	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	107.7	175.5	-57.8	168.2	0	0	0	107.4	L66 R163 F168 M169	L66-I165 HydrophobicContact CD1-CD1 3.93Å; L66-I165 HydrophobicContact CD2-CD1 3.84Å; L66-I165 HydrophobicContact CG-CD1 4.28Å; R163-I165 HydrophobicContact CG-CG1 4.46Å; I165-F168 HydrophobicContact CB-CB 4.03Å; I165-F168 HydrophobicContact CB-CD1 4Å; I165-F168 HydrophobicContact CD1-CD1 3.66Å; I165-F168 HydrophobicContact CD1-CE1 4.05Å; I165-F168 HydrophobicContact CG1-CD1 4.42Å; I165-F168 HydrophobicContact CG2-CB 3.78Å; I165-F168 HydrophobicContact CG2-CD1 4.03Å; I165-F168 HydrophobicContact CG2-CG 4.44Å; I165-F168 PolarHBondContact O-N 3.06Å; I165-F168 VanDerWaalsContact O-N 3.11Å; I165-M169 HydrophobicContact CD1-CE 4.29Å; I165-M169 PolarHBondContact N-O 3.37Å; I165-M169 PolarHBondContact O-N 2.91Å
166	P	96.3	Very high	97.8	Very high	34 Å²	34	29.6 Å²	29.6	22%	0.221	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	141.9	177	-27.3	36.7	0	0	0	111.7	F168 E251 S255	P166-F168 PolarHBondContact O-N 3.17Å; P166-F168 VanDerWaalsContact O-N 3.12Å; P166-E251 WeakPolarHBondContact CA-OE2 3.41Å; P166-E251 HydrophobicContact CB-CB 4.4Å; P166-E251 WeakPolarHBondContact CG-O 3.25Å; P166-S255 WeakPolarHBondContact CD-O 3.44Å
167	Q	94.8	Very high	97.7	Very high	131 Å²	131	35.6 Å²	35.6	61%	0.612	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	20.7	-177.8	-62.7	66.9	56.7	0	0	114.1	T224 T225 E251	Q167-T224 PolarHBondContact N-OG1 2.9Å; Q167-T225 WeakPolarHBondContact O-CG2 3.16Å; Q167-E251 PolarHBondContact N-OE2 2.95Å; Q167-E251 PolarHBondContact NE2-OE2 2.96Å
168	F	96.5	Very high	97.5	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-74.8	170.6	176.6	-152.3	0	0	0	110.2	W65 I165 P166 T224 C227 W229 L230	W65-F168 HydrophobicContact CH2-CZ 4.34Å; W65-F168 HydrophobicContact CZ3-CE1 4.39Å; W65-F168 HydrophobicContact CZ3-CZ 4.11Å; I165-F168 HydrophobicContact CB-CB 4.03Å; I165-F168 HydrophobicContact CB-CD1 4Å; I165-F168 HydrophobicContact CD1-CD1 3.66Å; I165-F168 HydrophobicContact CD1-CE1 4.05Å; I165-F168 HydrophobicContact CG1-CD1 4.42Å; I165-F168 HydrophobicContact CG2-CB 3.78Å; I165-F168 HydrophobicContact CG2-CD1 4.03Å; I165-F168 HydrophobicContact CG2-CG 4.44Å; I165-F168 PolarHBondContact O-N 3.06Å; I165-F168 VanDerWaalsContact O-N 3.11Å; P166-F168 PolarHBondContact O-N 3.17Å; P166-F168 VanDerWaalsContact O-N 3.12Å; F168-T224 PolarHBondContact N-OG1 3.04Å; F168-T224 VanDerWaalsContact N-OG1 3.12Å; F168-T224 PolarHBondContact O-N 3.42Å; F168-T224 PolarHBondContact O-OG1 2.97Å; F168-C227 HydrophobicContact CE2-CB 4.38Å; F168-C227 PolarHBondContact O-SG 2.67Å; F168-C227 VanDerWaalsContact O-SG 3.4Å; F168-W229 HydrophobicContact CD2-CH2 4.37Å; F168-W229 AromaticContact CD2-CZ2 3.55Å; F168-W229 HydrophobicContact CD2-CZ2 3.55Å; F168-W229 AromaticContact CE2-CE2 3.91Å; F168-W229 AromaticContact CE2-CZ2 3.48Å; F168-W229 HydrophobicContact CE2-CZ2 3.48Å; F168-W229 VanDerWaalsContact CE2-CZ2 3.48Å; F168-W229 AromaticContact CE2-NE1 3.77Å; F168-W229 HydrophobicContact CZ-CZ2 4.43Å; F168-L230 HydrophobicContact CE2-CD1 4.05Å; F168-L230 HydrophobicContact CZ-CD1 4.38Å
169	M	97	Very high	97.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	160.3	-176.8	60.1	96.5	-172	0	0	113.8	W60 I165 Q171 F221 I222	W60-M169 HydrophobicContact CD2-CE 4.3Å; W60-M169 HydrophobicContact CG-CE 4.18Å; W60-M169 HydrophobicContact CZ2-CE 4.27Å; I165-M169 HydrophobicContact CD1-CE 4.29Å; I165-M169 PolarHBondContact N-O 3.37Å; I165-M169 PolarHBondContact O-N 2.91Å; M169-Q171 HydrophobicContact CE-CB 4.26Å; M169-Q171 HydrophobicContact SD-CB 3.75Å; M169-F221 HydrophobicContact CB-CB 4.33Å; M169-F221 HydrophobicContact CB-CD2 3.99Å; M169-F221 HydrophobicContact CG-CB 4.42Å; M169-F221 HydrophobicContact CG-CD2 4.25Å; M169-F221 HydrophobicContact SD-CB 3.59Å; M169-F221 VanDerWaalsContact SD-CB 3.59Å; M169-F221 HydrophobicContact SD-CD2 4.39Å; M169-F221 HydrophobicContact SD-CG 4.18Å; M169-I222 CarbonylContact C-O 3.58Å; M169-I222 WeakPolarHBondContact CA-O 3.1Å; M169-I222 VanDerWaalsContact CB-O 3.32Å; M169-I222 WeakPolarHBondContact CB-O 3.31Å
170	C	98.3	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123	168.6	-52.4	0	0	0	0	109.2	F161 V164 F221 I222 M250	F161-C170 HydrophobicContact CD1-CB 3.87Å; F161-C170 HydrophobicContact CE1-CB 4.11Å; V164-C170 HydrophobicContact CG2-CB 4.26Å; C170-F221 CarbonylContact O-C 3.56Å; C170-F221 WeakPolarHBondContact O-CA 3.46Å; C170-I222 PolarHBondContact N-O 2.95Å; C170-I222 PolarHBondContact O-N 2.93Å; C170-M250 HydrophobicContact CB-CE 3.64Å
171	Q	98.7	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.6	-177.8	-166.6	-167.6	-23.2	0	0	112	W60 F161 H162 R163 M169 A209 F220 F221	W60-Q171 HydrophobicContact CZ2-CG 4.33Å; F161-Q171 CarbonylContact C-O 3.53Å; F161-Q171 WeakPolarHBondContact CA-O 3.27Å; F161-Q171 VanDerWaalsContact CD1-C 3.47Å; H162-Q171 PolarHBondContact N-O 3.49Å; H162-Q171 VanDerWaalsContact N-O 3.13Å; H162-Q171 PolarHBondContact NE2-NE2 3.29Å; R163-Q171 HydrophobicContact CB-CB 4.12Å; R163-Q171 PolarHBondContact N-O 2.9Å; R163-Q171 PolarHBondContact O-N 2.88Å; M169-Q171 HydrophobicContact CE-CB 4.26Å; M169-Q171 HydrophobicContact SD-CB 3.75Å; Q171-A209 HydrophobicContact CG-CB 4.39Å; Q171-F220 WeakPolarHBondContact CA-O 3.46Å; Q171-F220 WeakPolarHBondContact CG-O 3.45Å; Q171-F221 HydrophobicContact CB-CB 4.18Å; Q171-F221 HydrophobicContact CG-CB 4.24Å
172	G	98.6	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	-161.3	177	0	0	0	0	0	112.2	C160 Q219 F220	C160-G172 WeakPolarHBondContact O-CA 3.38Å; G172-Q219 VanDerWaalsContact O-CA 3.27Å; G172-Q219 WeakPolarHBondContact O-CA 3.42Å; G172-F220 PolarHBondContact N-O 2.85Å; G172-F220 PolarHBondContact O-N 3.23Å
173	G	98.4	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.			trans	90.9	4.9	171	0	0	0	0	0	116.2	F175 S218	G173-F175 PolarHBondContact O-N 3.27Å; G173-S218 CarbonylContact O-C 3.38Å; G173-S218 VanDerWaalsContact O-CB 3.27Å; G173-S218 WeakPolarHBondContact O-CB 3.24Å; G173-S218 PolarHBondContact O-OG 3.35Å
174	D	98.4	Very high	96.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.18	C	C	.	.			trans	-85.2	77.5	168.8	-176	3.5	0	0	0	110.9	C159 V176 K177 G178 D179 G180 T181 G182 G183 Q219	C159-D174 VanDerWaalsContact SG-C 3.52Å; D174-V176 PolarHBondContact O-N 2.78Å; D174-V176 PolarHBondContact OD1-N 3Å; D174-K177 PolarHBondContact OD1-N 2.94Å; D174-G178 WeakPolarHBondContact O-CA 3.34Å; D174-G178 PolarHBondContact O-N 3.03Å; D174-G178 PolarHBondContact OD2-N 3.35Å; D174-D179 PolarHBondContact OD2-N 2.94Å; D174-G180 WeakPolarHBondContact OD2-CA 3.27Å; D174-G180 PolarHBondContact OD2-N 2.92Å; D174-T181 PolarHBondContact OD2-N 3.29Å; D174-T181 VanDerWaalsContact OD2-N 3.09Å; D174-G182 WeakPolarHBondContact OD1-CA 3.02Å; D174-G182 PolarHBondContact OD2-N 2.88Å; D174-G183 PolarHBondContact OD1-N 3.22Å; D174-G183 VanDerWaalsContact OD1-N 3.16Å; D174-Q219 HydrophobicContact CB-CG 3.94Å
175	F	97.8	Very high	96.4	Very high	47 Å²	47	32.7 Å²	32.7	21%	0.206	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.7	178.2	59.5	-102.6	0	0	0	113.6	L147 F154 G155 Y156 C159 G173 K184 S218	L147-F175 HydrophobicContact CD1-CE1 4.32Å; L147-F175 HydrophobicContact CD2-CE1 3.64Å; L147-F175 HydrophobicContact CD2-CZ 3.91Å; F154-F175 HydrophobicContact CB-CE2 4.16Å; F154-F175 HydrophobicContact CD2-CE1 4.45Å; F154-F175 AromaticContact CD2-CE2 3.83Å; F154-F175 HydrophobicContact CD2-CE2 3.83Å; F154-F175 AromaticContact CD2-CZ 3.54Å; F154-F175 HydrophobicContact CD2-CZ 3.54Å; F154-F175 HydrophobicContact CE2-CZ 4.16Å; F154-F175 HydrophobicContact CG-CE2 4.35Å; F154-F175 HydrophobicContact CG-CZ 4.47Å; G155-F175 VanDerWaalsContact O-CB 3.3Å; G155-F175 WeakPolarHBondContact O-CB 3.32Å; G155-F175 WeakPolarHBondContact O-CG 3.19Å; Y156-F175 HydrophobicContact CD1-CD1 4.13Å; Y156-F175 HydrophobicContact CE1-CD1 4.26Å; C159-F175 HydrophobicContact CB-CB 4.1Å; G173-F175 PolarHBondContact O-N 3.27Å; F175-K184 HydrophobicContact CE2-CG 3.9Å; F175-K184 HydrophobicContact CZ-CG 3.66Å; F175-K184 WeakPolarHBondContact CZ-O 3.45Å; F175-S218 WeakPolarHBondContact CE1-OG 3.15Å
176	V	95.7	Very high	96.5	Very high	83 Å²	83	33.4 Å²	33.4	50%	0.503	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-41.1	-178	-178.2	0	0	0	0	110.8	D174 K184	D174-V176 PolarHBondContact O-N 2.78Å; D174-V176 PolarHBondContact OD1-N 3Å; V176-K184 HydrophobicContact CG2-CG 4.46Å
177	K	96.1	Very high	96.5	Very high	126 Å²	126	35.6 Å²	35.6	55%	0.548	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-19.3	-177.8	-65.3	-176.4	-180	174.7	0	114.3	D174 D179 T181	D174-K177 PolarHBondContact OD1-N 2.94Å; K177-D179 WeakPolarHBondContact CB-OD1 3.38Å; K177-D179 PolarHBondContact O-N 3.17Å; K177-T181 WeakPolarHBondContact CD-OG1 3.41Å; K177-T181 PolarHBondContact NZ-O 2.86Å; K177-T181 PolarHBondContact NZ-OG1 3.32Å
178	G	94.9	Very high	96.5	Very high	32 Å²	32	31.1 Å²	31.1	33%	0.33	18%	0.177	S	C	.	.	S	Bend	trans	72	6.9	177.6	0	0	0	0	0	115.5	C160 D174	C160-G178 PolarHBondContact SG-O 3.4Å; C160-G178 VanDerWaalsContact SG-O 3.41Å; D174-G178 WeakPolarHBondContact O-CA 3.34Å; D174-G178 PolarHBondContact O-N 3.03Å; D174-G178 PolarHBondContact OD2-N 3.35Å
179	D	94.8	Very high	96.3	Very high	81 Å²	81	41.2 Å²	41.2	43%	0.433	22%	0.215	S	C	.	.	S	Bend	trans	-125.8	3.8	-170.2	72.7	-6.4	0	0	0	114.1	D174 K177 T181	D174-D179 PolarHBondContact OD2-N 2.94Å; K177-D179 WeakPolarHBondContact CB-OD1 3.38Å; K177-D179 PolarHBondContact O-N 3.17Å; D179-T181 VanDerWaalsContact OD1-CB 3.27Å; D179-T181 WeakPolarHBondContact OD1-CB 3.36Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.16Å; D179-T181 PolarHBondContact OD1-N 3.12Å; D179-T181 PolarHBondContact OD1-OG1 2.92Å; D179-T181 PolarHBondContact OD2-OG1 3.22Å
180	G	94.2	Very high	96.1	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	85.9	6.2	-178.4	0	0	0	0	0	113.7	S56 H162 D174 Q219	S56-G180 VanDerWaalsContact O-O 3.14Å; H162-G180 WeakPolarHBondContact NE2-CA 3.19Å; D174-G180 WeakPolarHBondContact OD2-CA 3.27Å; D174-G180 PolarHBondContact OD2-N 2.92Å; G180-Q219 PolarHBondContact O-NE2 2.99Å
181	T	93	Very high	96	Very high	21 Å²	21	45.9 Å²	45.9	13%	0.129	24%	0.236	C	C	.	.	S	Bend	trans	-107.4	3.7	179	76.5	0	0	0	0	113.1	S56 R57 D174 K177 D179	S56-T181 WeakPolarHBondContact CB-O 3.27Å; S56-T181 VanDerWaalsContact OG-C 3.32Å; S56-T181 WeakPolarHBondContact OG-CA 3.45Å; S56-T181 PolarHBondContact OG-O 3.42Å; R57-T181 HydrophobicContact CG-CG2 3.73Å; D174-T181 PolarHBondContact OD2-N 3.29Å; D174-T181 VanDerWaalsContact OD2-N 3.09Å; K177-T181 WeakPolarHBondContact CD-OG1 3.41Å; K177-T181 PolarHBondContact NZ-O 2.86Å; K177-T181 PolarHBondContact NZ-OG1 3.32Å; D179-T181 VanDerWaalsContact OD1-CB 3.27Å; D179-T181 WeakPolarHBondContact OD1-CB 3.36Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.16Å; D179-T181 PolarHBondContact OD1-N 3.12Å; D179-T181 PolarHBondContact OD1-OG1 2.92Å; D179-T181 PolarHBondContact OD2-OG1 3.22Å
182	G	93.5	Very high	95.9	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	25%	0.251	C	S	.	.			trans	-123.5	-157.4	179.4	0	0	0	0	0	113.7	D174 Q219	D174-G182 WeakPolarHBondContact OD1-CA 3.02Å; D174-G182 PolarHBondContact OD2-N 2.88Å; G182-Q219 PolarHBondContact O-NE2 2.96Å
183	G	95.8	Very high	95.9	Very high	18 Å²	18	49.9 Å²	49.9	19%	0.186	26%	0.257	C	S	.	.			trans	106.2	155.8	-176	0	0	0	0	0	113.7	D174 S218	D174-G183 PolarHBondContact OD1-N 3.22Å; D174-G183 VanDerWaalsContact OD1-N 3.16Å; G183-S218 WeakPolarHBondContact CA-OG 3.25Å
184	K	96.2	Very high	95.9	Very high	79 Å²	79	52.4 Å²	52.4	34%	0.343	27%	0.269	S	S	.	.			trans	-153.7	147.8	172.7	64.2	174.6	-176.1	172.5	0	109.8	F154 F175 V176 S218	F154-K184 HydrophobicContact CD2-CD 4.5Å; F154-K184 VanDerWaalsContact CD2-CE 3.48Å; F154-K184 HydrophobicContact CD2-CG 4.35Å; F154-K184 HydrophobicContact CE2-CD 4.26Å; F154-K184 HydrophobicContact CE2-CG 4.08Å; F154-K184 VanDerWaalsContact CG-CE 3.47Å; F154-K184 HydrophobicContact CZ-CD 4.38Å; F175-K184 HydrophobicContact CE2-CG 3.9Å; F175-K184 HydrophobicContact CZ-CG 3.66Å; F175-K184 WeakPolarHBondContact CZ-O 3.45Å; V176-K184 HydrophobicContact CG2-CG 4.46Å; K184-S218 PolarHBondContact N-OG 2.7Å; K184-S218 WeakPolarHBondContact O-CB 3.42Å
185	S	98.3	Very high	95.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-86.6	172.4	173.7	73.7	0	0	0	0	111	N143 Y187 G188 F191	N143-S185 WeakPolarHBondContact OD1-CA 3.3Å; N143-S185 WeakPolarHBondContact OD1-CB 3.33Å; S185-Y187 PolarHBondContact O-N 3.12Å; S185-Y187 PolarHBondContact OG-N 3.18Å; S185-Y187 VanDerWaalsContact OG-N 3.08Å; S185-G188 PolarHBondContact N-O 3.28Å; S185-G188 PolarHBondContact O-N 3.29Å; S185-G188 VanDerWaalsContact O-O 3.11Å; S185-G188 PolarHBondContact OG-N 2.83Å; S185-G188 PolarHBondContact OG-O 2.87Å; S185-G188 VanDerWaalsContact OG-O 3.06Å; S185-F191 VanDerWaalsContact CB-CD1 3.49Å
186	I	98.1	Very high	95.9	Very high	23 Å²	23	55.5 Å²	55.5	12%	0.118	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.2	168.2	67.5	170.9	0	0	0	113.1	E142 N143 A146 L147 R152 F154	E142-I186 HydrophobicContact CG-CD1 3.94Å; N143-I186 HydrophobicContact CB-CD1 4.43Å; N143-I186 HydrophobicContact CB-CG1 4.15Å; N143-I186 PolarHBondContact OD1-N 3.31Å; A146-I186 HydrophobicContact CB-CD1 4.15Å; A146-I186 HydrophobicContact CB-CG2 3.82Å; L147-I186 HydrophobicContact CD2-CG2 4.42Å; L147-I186 HydrophobicContact CG-CG2 4.34Å; R152-I186 HydrophobicContact CG-CB 4.35Å; R152-I186 HydrophobicContact CG-CG2 3.85Å; F154-I186 HydrophobicContact CE2-CG2 4.49Å
187	Y	97.3	Very high	96	Very high	81 Å²	81	58 Å²	58	32%	0.318	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-2.2	-179.8	-48.3	-59.6	0	0	0	113.1	R139 N143 S185 F191	R139-Y187 VanDerWaalsContact CA-OH 3.3Å; R139-Y187 WeakPolarHBondContact CA-OH 3.46Å; R139-Y187 HydrophobicContact CB-CE2 4.14Å; R139-Y187 WeakPolarHBondContact O-CE2 3.43Å; R139-Y187 PolarHBondContact O-OH 3.06Å; N143-Y187 HydrophobicContact CB-CD2 4.49Å; N143-Y187 HydrophobicContact CB-CE2 3.8Å; S185-Y187 PolarHBondContact O-N 3.12Å; S185-Y187 PolarHBondContact OG-N 3.18Å; S185-Y187 VanDerWaalsContact OG-N 3.08Å; Y187-F191 HydrophobicContact CD2-CB 4.1Å; Y187-F191 HydrophobicContact CD2-CD1 4.21Å; Y187-F191 HydrophobicContact CD2-CD2 4.31Å; Y187-F191 AromaticContact CD2-CG 3.96Å; Y187-F191 HydrophobicContact CD2-CG 3.96Å
188	G	94.5	Very high	96.1	Very high	36 Å²	36	53.4 Å²	53.4	37%	0.371	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	133.1	-160.4	-176.1	0	0	0	0	0	112.5	S185	S185-G188 PolarHBondContact N-O 3.28Å; S185-G188 PolarHBondContact O-N 3.29Å; S185-G188 VanDerWaalsContact O-O 3.11Å; S185-G188 PolarHBondContact OG-N 2.83Å; S185-G188 PolarHBondContact OG-O 2.87Å; S185-G188 VanDerWaalsContact OG-O 3.06Å
189	R	93	Very high	96.3	Very high	215 Å²	215	58.5 Å²	58.5	81%	0.811	28%	0.281	S	S	*	.	S	Bend	trans	-67.5	-39	179.1	-75.7	-177.6	179.3	-107.8	3.7	112.6
190	K	92.1	Very high	96.4	Very high	89 Å²	89	54.7 Å²	54.7	39%	0.387	26%	0.26	S	S	.	.			trans	-139.7	153.3	-178.5	-64.8	-176.9	174.2	-165.4	0	109.9	W55 S211 T215 N216	W55-K190 PolarHBondContact O-NZ 3.37Å; W55-K190 VanDerWaalsContact O-NZ 3.11Å; K190-S211 PolarHBondContact NZ-OG 3.14Å; K190-T215 HydrophobicContact CD-CG2 3.9Å; K190-N216 CarbonylContact C-O 3.5Å; K190-N216 WeakPolarHBondContact CA-O 3.16Å
191	F	97.1	Very high	96.6	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.044	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-139.4	160.4	168.9	72.1	-81.3	0	0	0	111.3	T140 S185 Y187 M208 N214 N216	T140-F191 HydrophobicContact CG2-CE2 4.48Å; T140-F191 HydrophobicContact CG2-CZ 4.25Å; S185-F191 VanDerWaalsContact CB-CD1 3.49Å; Y187-F191 HydrophobicContact CD2-CB 4.1Å; Y187-F191 HydrophobicContact CD2-CD1 4.21Å; Y187-F191 HydrophobicContact CD2-CD2 4.31Å; Y187-F191 AromaticContact CD2-CG 3.96Å; Y187-F191 HydrophobicContact CD2-CG 3.96Å; F191-M208 HydrophobicContact CE1-CE 4.1Å; F191-M208 HydrophobicContact CZ-CE 4.13Å; F191-N214 CarbonylContact O-C 3.46Å; F191-N216 HydrophobicContact CD1-CB 3.66Å; F191-N216 WeakPolarHBondContact CD1-O 3.4Å; F191-N216 HydrophobicContact CD2-CB 4.13Å; F191-N216 HydrophobicContact CE1-CB 3.33Å; F191-N216 HydrophobicContact CE2-CB 3.83Å; F191-N216 HydrophobicContact CG-CB 4.07Å; F191-N216 HydrophobicContact CZ-CB 3.42Å; F191-N216 VanDerWaalsContact CZ-CB 3.42Å; F191-N216 PolarHBondContact N-O 2.71Å; F191-N216 WeakPolarHBondContact O-CB 3.12Å; F191-N216 PolarHBondContact O-N 2.7Å; F191-N216 VanDerWaalsContact O-N 3.15Å; F191-N216 PolarHBondContact O-ND2 3.02Å
192	D	96.7	Very high	96.8	Very high	60 Å²	60	59.7 Å²	59.7	32%	0.321	28%	0.284	S	S	.	.			trans	-66.2	158.1	-174.1	-65	-9	0	0	0	112.9	E194 N214 N216	D192-E194 PolarHBondContact O-N 2.9Å; D192-N214 WeakPolarHBondContact CA-OD1 3.3Å; D192-N214 HydrophobicContact CB-CB 4.38Å; D192-N214 WeakPolarHBondContact CB-OD1 3.22Å; D192-N216 PolarHBondContact O-ND2 2.82Å; D192-N216 VanDerWaalsContact O-ND2 3.16Å
193	D	98	Very high	97	Very high	24 Å²	24	61.2 Å²	61.2	13%	0.128	29%	0.286	C	S	.	.			trans	-69.1	109.5	169.1	-64	-48.5	0	0	0	108.7	F196 P213 N214 N216 V235	D193-F196 HydrophobicContact CB-CE1 4.27Å; D193-F196 HydrophobicContact CB-CE2 3.92Å; D193-F196 HydrophobicContact CB-CZ 3.51Å; D193-P213 WeakPolarHBondContact OD2-CA 3.45Å; D193-N214 PolarHBondContact N-OD1 3.06Å; D193-N214 PolarHBondContact OD2-N 2.79Å; D193-N216 WeakPolarHBondContact CA-ND2 3.16Å; D193-N216 PolarHBondContact N-ND2 3.16Å; D193-N216 PolarHBondContact OD1-ND2 3.19Å; D193-V235 HydrophobicContact CB-CG2 3.82Å
194	E	98	Very high	97.2	Very high	52 Å²	52	60.4 Å²	60.4	24%	0.243	28%	0.277	C	S	.	.			trans	-64.1	-47.5	-171.3	-176.4	168.9	-161.4	0	0	112.7	V137 P138 R139 T140 D192	V137-E194 VanDerWaalsContact C-CD 3.47Å; V137-E194 VanDerWaalsContact CA-CD 3.46Å; V137-E194 VanDerWaalsContact CA-OE2 3.27Å; V137-E194 WeakPolarHBondContact CA-OE2 3.35Å; V137-E194 HydrophobicContact CB-CG 4.44Å; V137-E194 VanDerWaalsContact CB-OE2 3.29Å; V137-E194 WeakPolarHBondContact CB-OE2 3.18Å; V137-E194 HydrophobicContact CG1-CB 4.35Å; V137-E194 HydrophobicContact CG1-CG 4.29Å; P138-E194 WeakPolarHBondContact CD-OE1 3.34Å; P138-E194 WeakPolarHBondContact CG-OE1 3.3Å; P138-E194 VanDerWaalsContact N-OE1 3.16Å; R139-E194 WeakPolarHBondContact CB-OE1 3.09Å; R139-E194 PolarHBondContact N-OE1 3.48Å; R139-E194 PolarHBondContact N-OE2 2.81Å; T140-E194 WeakPolarHBondContact CB-OE2 3.16Å; T140-E194 PolarHBondContact N-OE2 3.11Å; T140-E194 PolarHBondContact OG1-OE2 2.78Å; D192-E194 PolarHBondContact O-N 2.9Å
195	N	97.9	Very high	97.3	Very high	33 Å²	33	56.9 Å²	56.9	18%	0.176	26%	0.262	C	S	.	.			trans	-170.2	175.4	164.1	60.8	77.1	0	0	0	109.9	I136 V137 Q197	I136-N195 PolarHBondContact O-ND2 2.88Å; V137-N195 WeakPolarHBondContact CG1-ND2 3.45Å; N195-Q197 HydrophobicContact CB-CG 4.36Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.33Å; N195-Q197 WeakPolarHBondContact OD1-CG 3.29Å; N195-Q197 PolarHBondContact OD1-N 2.91Å; N195-Q197 VanDerWaalsContact OD1-N 3.14Å
196	F	98	Very high	97.3	Very high	81 Å²	81	56.8 Å²	56.8	36%	0.355	26%	0.261	S	S	.	.			trans	-121.9	35	177	-58.7	-73.8	0	0	0	112.4	D193 V235	D193-F196 HydrophobicContact CB-CE1 4.27Å; D193-F196 HydrophobicContact CB-CE2 3.92Å; D193-F196 HydrophobicContact CB-CZ 3.51Å; F196-V235 HydrophobicContact CD1-CG2 4.42Å; F196-V235 HydrophobicContact CE1-CG2 3.97Å
197	Q	98.2	Very high	97.3	Very high	135 Å²	135	55.7 Å²	55.7	63%	0.631	26%	0.256	S	S	*	.			trans	-68.8	-35.3	-179.8	-67.1	-179.9	53.7	0	0	112.2	I136 N195	I136-Q197 HydrophobicContact CG2-CB 3.88Å; I136-Q197 HydrophobicContact CG2-CG 4.44Å; N195-Q197 HydrophobicContact CB-CG 4.36Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.33Å; N195-Q197 WeakPolarHBondContact OD1-CG 3.29Å; N195-Q197 PolarHBondContact OD1-N 2.91Å; N195-Q197 VanDerWaalsContact OD1-N 3.14Å
198	L	98.3	Very high	97.4	Very high	30 Å²	30	51.8 Å²	51.8	16%	0.157	24%	0.241	C	C	.	.	S	Bend	trans	-88.1	149.2	178.8	-64	173	0	0	0	111.3	R133 I136 V236	R133-L198 HydrophobicContact CB-CD1 3.6Å; R133-L198 HydrophobicContact CG-CD1 3.73Å; I136-L198 HydrophobicContact CB-CD1 4.16Å; I136-L198 HydrophobicContact CB-CG 4.41Å; I136-L198 HydrophobicContact CG1-CD1 4.44Å; I136-L198 HydrophobicContact CG1-CD2 4.4Å; I136-L198 HydrophobicContact CG2-CD1 4.24Å; I136-L198 HydrophobicContact CG2-CG 4.05Å; L198-V236 HydrophobicContact CB-CB 3.64Å; L198-V236 HydrophobicContact CB-CG1 3.64Å; L198-V236 HydrophobicContact CD1-CG1 4.33Å; L198-V236 WeakPolarHBondContact CD1-O 3.44Å
199	R	98.6	Very high	97.6	Very high	138 Å²	138	50.3 Å²	50.3	52%	0.521	23%	0.225	S	C	.	.			trans	-120.5	160.3	-173.3	-57.1	-173.3	69.7	114.4	3.5	112.6	E201 D231	R199-E201 HydrophobicContact CB-CG 3.81Å; R199-E201 PolarHBondContact O-N 2.83Å; R199-D231 IonicContact CZ-OD2 3.92Å; R199-D231 IonicContact NE-OD2 3.48Å; R199-D231 PolarHBondContact NE-OD2 3.33Å; R199-D231 IonicContact NH2-OD2 2.7Å; R199-D231 PolarHBondContact NH2-OD2 2.92Å
200	H	98.6	Very high	97.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.188	C	C	.	.			trans	-82	62.6	176	-57.2	83.5	0	0	0	110.9	G202 S207 F221 K226 C227 L230 D231 H234 V236	H200-G202 VanDerWaalsContact C-N 3.27Å; H200-G202 PolarHBondContact O-N 3.16Å; H200-S207 VanDerWaalsContact NE2-CB 3.34Å; H200-S207 WeakPolarHBondContact NE2-CB 3.34Å; H200-S207 PolarHBondContact NE2-OG 2.69Å; H200-F221 AromaticContact CD2-CE2 3.88Å; H200-F221 AromaticContact CD2-CZ 3.97Å; H200-F221 AromaticContact NE2-CE2 3.92Å; H200-F221 AromaticContact NE2-CZ 3.5Å; H200-F221 WeakPolarHBondContact NE2-CZ 3.49Å; H200-K226 WeakPolarHBondContact O-CG 3.42Å; H200-C227 HydrophobicContact CB-CB 4.05Å; H200-C227 WeakPolarHBondContact CB-O 3.4Å; H200-C227 PolarHBondContact O-N 3.11Å; H200-L230 PolarHBondContact CE1-O 3.21Å; H200-D231 IonicContact CE1-OD1 2.87Å; H200-D231 IonicContact CG-OD1 2.87Å; H200-D231 PolarHBondContact N-OD1 3.35Å; H200-D231 IonicContact ND1-OD1 3.11Å; H200-D231 PolarHBondContact ND1-OD1 3.43Å; H200-H234 PolarHBondContact CE1-O 2.82Å; H200-V236 WeakPolarHBondContact CE1-CG2 3.31Å; H200-V236 WeakPolarHBondContact NE2-CG2 3.15Å
201	E	97.5	Very high	97.7	Very high	120 Å²	120	37 Å²	37	56%	0.561	18%	0.176	S	C	*	.			trans	-69.3	-15.1	-167	-63.4	179.7	169	0	0	115.1	R199	R199-E201 HydrophobicContact CB-CG 3.81Å; R199-E201 PolarHBondContact O-N 2.83Å
202	G	97.5	Very high	97.6	Very high	9 Å²	9	37.3 Å²	37.3	9%	0.093	18%	0.181	C	C	.	.	S	Bend	trans	164.9	-161.4	-179.9	0	0	0	0	0	114.5	H200 G204 V205 T225	H200-G202 VanDerWaalsContact C-N 3.27Å; H200-G202 PolarHBondContact O-N 3.16Å; G202-G204 PolarHBondContact O-N 2.75Å; G202-V205 WeakPolarHBondContact O-CG2 3.31Å; G202-V205 PolarHBondContact O-N 3.15Å; G202-T225 CarbonylContact C-O 3.55Å
203	F	98.3	Very high	97.5	Very high	50 Å²	50	39.6 Å²	39.6	22%	0.219	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	136.8	178.9	-171.4	-78.1	0	0	0	111.6	V205 T224 R239 Q244 V247 K248	F203-V205 VanDerWaalsContact C-N 3.34Å; F203-T224 WeakPolarHBondContact CD2-O 3.35Å; F203-T224 HydrophobicContact CE2-CG2 4.13Å; F203-R239 PolarHBondContact O-NE 3.43Å; F203-R239 PolarHBondContact O-NH2 3.33Å; F203-R239 VanDerWaalsContact O-NH2 3.13Å; F203-Q244 HydrophobicContact CD1-CB 4.35Å; F203-Q244 HydrophobicContact CD1-CG 4.08Å; F203-Q244 HydrophobicContact CE1-CB 3.57Å; F203-Q244 HydrophobicContact CE1-CG 3.67Å; F203-Q244 HydrophobicContact CZ-CB 4.23Å; F203-V247 HydrophobicContact CE1-CB 4.45Å; F203-V247 HydrophobicContact CE1-CG1 4.49Å; F203-V247 HydrophobicContact CE2-CG1 4.49Å; F203-V247 HydrophobicContact CZ-CB 3.93Å; F203-V247 HydrophobicContact CZ-CG1 3.83Å; F203-K248 HydrophobicContact CE2-CG 3.99Å; F203-K248 HydrophobicContact CZ-CG 3.95Å
204	G	98.3	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-3.3	173.4	0	0	0	0	0	114.5	G202 L206 C223 R239 V240	G202-G204 PolarHBondContact O-N 2.75Å; G204-L206 PolarHBondContact O-N 2.95Å; G204-C223 PolarHBondContact N-O 3.11Å; G204-R239 CarbonylContact O-C 3.52Å; G204-R239 VanDerWaalsContact O-CA 3.3Å; G204-R239 WeakPolarHBondContact O-CA 3.26Å; G204-R239 WeakPolarHBondContact O-CG 3.22Å; G204-V240 PolarHBondContact O-N 3.45Å
205	V	98.8	Very high	97.3	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	132	175.8	173.2	0	0	0	0	110	G202 F203 I222 C223 V236	G202-V205 WeakPolarHBondContact O-CG2 3.31Å; G202-V205 PolarHBondContact O-N 3.15Å; F203-V205 VanDerWaalsContact C-N 3.34Å; V205-I222 WeakPolarHBondContact O-CA 3.46Å; V205-C223 HydrophobicContact CB-CB 4.21Å; V205-C223 PolarHBondContact O-N 2.87Å; V205-V236 HydrophobicContact CG1-CB 4.37Å; V205-V236 HydrophobicContact CG1-CG1 3.5Å; V205-V236 HydrophobicContact CG1-CG2 3.98Å
206	L	98.8	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.8	-180	-176.8	69	0	0	0	109.5	M130 L132 F144 G204 F220 I222 F237 G238	M130-L206 HydrophobicContact CB-CD2 4.22Å; M130-L206 HydrophobicContact CG-CD2 4.24Å; M130-L206 HydrophobicContact SD-CD1 4.19Å; M130-L206 HydrophobicContact SD-CD2 3.83Å; L132-L206 HydrophobicContact CD2-CD2 3.9Å; F144-L206 HydrophobicContact CD1-CD2 4.27Å; F144-L206 HydrophobicContact CE1-CD2 3.79Å; F144-L206 HydrophobicContact CE2-CD1 4.39Å; F144-L206 HydrophobicContact CE2-CD2 4.28Å; F144-L206 HydrophobicContact CZ-CD1 4.18Å; F144-L206 HydrophobicContact CZ-CD2 3.79Å; G204-L206 PolarHBondContact O-N 2.95Å; L206-F220 HydrophobicContact CD1-CB 4.47Å; L206-F220 HydrophobicContact CD1-CD2 3.54Å; L206-F220 HydrophobicContact CD1-CE2 4.15Å; L206-F220 HydrophobicContact CD1-CG 4.32Å; L206-I222 HydrophobicContact CD1-CG1 3.76Å; L206-F237 HydrophobicContact CD1-CZ 4.11Å; L206-F237 HydrophobicContact CD2-CD2 4.02Å; L206-F237 HydrophobicContact CD2-CE2 3.24Å; L206-F237 HydrophobicContact CD2-CZ 3.61Å; L206-F237 HydrophobicContact CG-CD2 4.33Å; L206-F237 HydrophobicContact CG-CE1 4.05Å; L206-F237 HydrophobicContact CG-CE2 3.57Å; L206-F237 HydrophobicContact CG-CZ 3.42Å; L206-F237 VanDerWaalsContact CG-CZ 3.42Å; L206-F237 PolarHBondContact O-N 3.49Å; L206-G238 PolarHBondContact N-O 3.1Å; L206-G238 PolarHBondContact O-N 3.2Å
207	S	98.8	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.8	-169.9	-174.8	0	0	0	0	112.9	H200 F220 F221 H234 V235 F237	H200-S207 VanDerWaalsContact NE2-CB 3.34Å; H200-S207 WeakPolarHBondContact NE2-CB 3.34Å; H200-S207 PolarHBondContact NE2-OG 2.69Å; S207-F220 CarbonylContact O-C 3.38Å; S207-F220 VanDerWaalsContact O-CA 3.3Å; S207-F220 WeakPolarHBondContact O-CA 3.35Å; S207-F221 PolarHBondContact N-O 2.92Å; S207-F221 VanDerWaalsContact O-CD1 3.31Å; S207-F221 WeakPolarHBondContact O-CD1 3.5Å; S207-F221 PolarHBondContact O-N 3.04Å; S207-F221 WeakPolarHBondContact OG-CZ 3.41Å; S207-H234 WeakPolarHBondContact OG-CB 3.48Å; S207-V235 WeakPolarHBondContact CA-O 3.43Å; S207-V235 PolarHBondContact OG-O 3.28Å; S207-F237 VanDerWaalsContact C-CE1 3.4Å
208	M	98.7	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.9	-175.9	-70.7	-56.5	-62.9	0	0	111.5	T140 F191 N216 G217 Q219 F221 H234 V235 F237	T140-M208 HydrophobicContact CG2-CG 3.59Å; T140-M208 HydrophobicContact CG2-SD 4Å; F191-M208 HydrophobicContact CE1-CE 4.1Å; F191-M208 HydrophobicContact CZ-CE 4.13Å; M208-N216 WeakPolarHBondContact CB-OD1 3.18Å; M208-N216 HydrophobicContact CE-CB 4.1Å; M208-G217 WeakPolarHBondContact CE-O 3.12Å; M208-Q219 WeakPolarHBondContact CE-O 3.36Å; M208-F221 WeakPolarHBondContact O-CE1 3.38Å; M208-H234 WeakPolarHBondContact O-CB 3.41Å; M208-H234 PolarHBondContact O-ND1 3.19Å; M208-V235 HydrophobicContact CB-CB 4.45Å; M208-V235 HydrophobicContact CG-CB 4.4Å; M208-V235 PolarHBondContact N-O 3.05Å; M208-F237 HydrophobicContact CB-CE1 4.48Å; M208-F237 HydrophobicContact CG-CD1 3.73Å; M208-F237 HydrophobicContact CG-CE1 3.69Å; M208-F237 HydrophobicContact SD-CD1 3.96Å; M208-F237 HydrophobicContact SD-CE1 3.4Å; M208-F237 WeakPolarHBondContact SD-CE1 3.49Å; M208-F237 HydrophobicContact SD-CZ 3.98Å
209	A	98.1	Very high	97.4	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.033	15%	0.149	C	C	.	.			trans	-79.2	137.2	167.1	0	0	0	0	0	109.9	P58 W60 Q171 Q219 F221	P58-A209 HydrophobicContact CB-CB 4.25Å; W60-A209 HydrophobicContact CH2-CB 3.68Å; W60-A209 HydrophobicContact CZ2-CB 3.6Å; Q171-A209 HydrophobicContact CG-CB 4.39Å; A209-Q219 HydrophobicContact CB-CB 3.73Å; A209-Q219 PolarHBondContact N-O 3.24Å; A209-F221 HydrophobicContact CB-CD1 4.3Å
210	N	95.9	Very high	97.4	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	12%	0.124	C	C	.	.			trans	-147.5	162.5	-179.3	72.1	44.7	0	0	0	111.3	P58 V59 G212 K233 H234	P58-N210 CarbonylContact C-O 3.56Å; P58-N210 WeakPolarHBondContact CA-O 3.45Å; V59-N210 PolarHBondContact N-O 3.44Å; N210-G212 PolarHBondContact OD1-N 3.44Å; N210-G212 VanDerWaalsContact OD1-N 3.15Å; N210-G212 PolarHBondContact OD1-O 2.77Å; N210-K233 PolarHBondContact ND2-O 3.28Å; N210-H234 VanDerWaalsContact CG-CE1 3.49Å; N210-H234 PolarHBondContact ND2-ND1 2.73Å; N210-H234 PolarHBondContact OD1-CE1 3.06Å
211	S	92.8	Very high	97.4	Very high	19 Å²	19	21.3 Å²	21.3	13%	0.133	12%	0.124	C	C	.	.	S	Bend	trans	-103.1	28.6	-179.3	62.2	0	0	0	0	112.3	W55 R57 K190 T215	W55-S211 VanDerWaalsContact O-CB 3.22Å; W55-S211 WeakPolarHBondContact O-CB 3.48Å; W55-S211 PolarHBondContact O-OG 2.92Å; R57-S211 WeakPolarHBondContact O-CB 3.1Å; K190-S211 PolarHBondContact NZ-OG 3.14Å; S211-T215 WeakPolarHBondContact CA-OG1 3.35Å; S211-T215 PolarHBondContact N-OG1 3.18Å; S211-T215 VanDerWaalsContact OG-CB 3.25Å; S211-T215 WeakPolarHBondContact OG-CB 3.04Å; S211-T215 PolarHBondContact OG-OG1 3.08Å
212	G	93.5	Very high	97.5	Very high	16 Å²	16	15.6 Å²	15.6	17%	0.165	10%	0.098	C	C	.	.	S	Bend	trans	115.3	178	-169.4	0	0	0	0	0	112.8	N210 T215	N210-G212 PolarHBondContact OD1-N 3.44Å; N210-G212 VanDerWaalsContact OD1-N 3.15Å; N210-G212 PolarHBondContact OD1-O 2.77Å; G212-T215 PolarHBondContact N-OG1 2.87Å; G212-T215 PolarHBondContact O-N 3.17Å; G212-T215 PolarHBondContact O-OG1 2.7Å
213	P	96	Very high	97.5	Very high	107 Å²	107	15.2 Å²	15.2	70%	0.695	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	138.6	-173.7	-26.6	34.8	0	0	0	113.1	D193 T215	D193-P213 WeakPolarHBondContact OD2-CA 3.45Å; P213-T215 VanDerWaalsContact C-N 3.31Å; P213-T215 WeakPolarHBondContact O-CG2 3.06Å; P213-T215 PolarHBondContact O-N 2.97Å
214	N	95.8	Very high	97.5	Very high	74 Å²	74	13.4 Å²	13.4	40%	0.396	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	38.6	176.1	-54.9	-51.1	0	0	0	114	F191 D192 D193	F191-N214 CarbonylContact O-C 3.46Å; D192-N214 WeakPolarHBondContact CA-OD1 3.3Å; D192-N214 HydrophobicContact CB-CB 4.38Å; D192-N214 WeakPolarHBondContact CB-OD1 3.22Å; D193-N214 PolarHBondContact N-OD1 3.06Å; D193-N214 PolarHBondContact OD2-N 2.79Å
215	T	96	Very high	97.4	Very high	15 Å²	15	14.6 Å²	14.6	9%	0.092	9%	0.094	C	C	.	.			trans	-122.6	28.2	178.9	67.1	0	0	0	0	114.1	K190 S211 G212 P213	K190-T215 HydrophobicContact CD-CG2 3.9Å; S211-T215 WeakPolarHBondContact CA-OG1 3.35Å; S211-T215 PolarHBondContact N-OG1 3.18Å; S211-T215 VanDerWaalsContact OG-CB 3.25Å; S211-T215 WeakPolarHBondContact OG-CB 3.04Å; S211-T215 PolarHBondContact OG-OG1 3.08Å; G212-T215 PolarHBondContact N-OG1 2.87Å; G212-T215 PolarHBondContact O-N 3.17Å; G212-T215 PolarHBondContact O-OG1 2.7Å; P213-T215 VanDerWaalsContact C-N 3.31Å; P213-T215 WeakPolarHBondContact O-CG2 3.06Å; P213-T215 PolarHBondContact O-N 2.97Å
216	N	97.9	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-66.6	136	178.1	-57.4	-61.5	0	0	0	110.4	K190 F191 D192 D193 M208	K190-N216 CarbonylContact C-O 3.5Å; K190-N216 WeakPolarHBondContact CA-O 3.16Å; F191-N216 HydrophobicContact CD1-CB 3.66Å; F191-N216 WeakPolarHBondContact CD1-O 3.4Å; F191-N216 HydrophobicContact CD2-CB 4.13Å; F191-N216 HydrophobicContact CE1-CB 3.33Å; F191-N216 HydrophobicContact CE2-CB 3.83Å; F191-N216 HydrophobicContact CG-CB 4.07Å; F191-N216 HydrophobicContact CZ-CB 3.42Å; F191-N216 VanDerWaalsContact CZ-CB 3.42Å; F191-N216 PolarHBondContact N-O 2.71Å; F191-N216 WeakPolarHBondContact O-CB 3.12Å; F191-N216 PolarHBondContact O-N 2.7Å; F191-N216 VanDerWaalsContact O-N 3.15Å; F191-N216 PolarHBondContact O-ND2 3.02Å; D192-N216 PolarHBondContact O-ND2 2.82Å; D192-N216 VanDerWaalsContact O-ND2 3.16Å; D193-N216 WeakPolarHBondContact CA-ND2 3.16Å; D193-N216 PolarHBondContact N-ND2 3.16Å; D193-N216 PolarHBondContact OD1-ND2 3.19Å; M208-N216 WeakPolarHBondContact CB-OD1 3.18Å; M208-N216 HydrophobicContact CE-CB 4.1Å
217	G	97.9	Very high	97.1	Very high	9 Å²	9	19.4 Å²	19.4	9%	0.093	11%	0.114	C	C	.	.			trans	-129.3	-110.6	178.3	0	0	0	0	0	110.8	N143 M208	N143-G217 PolarHBondContact ND2-O 3.33Å; N143-G217 VanDerWaalsContact ND2-O 3.09Å; M208-G217 WeakPolarHBondContact CE-O 3.12Å
218	S	98.5	Very high	97	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	12%	0.124	C	C	.	.	S	Bend	trans	-117.7	-12.8	172.4	56.9	0	0	0	0	113.9	Y156 G173 F175 G183 K184	Y156-S218 VanDerWaalsContact CE1-O 3.3Å; Y156-S218 WeakPolarHBondContact CE1-O 3.34Å; Y156-S218 PolarHBondContact OH-O 3.09Å; G173-S218 CarbonylContact O-C 3.38Å; G173-S218 VanDerWaalsContact O-CB 3.27Å; G173-S218 WeakPolarHBondContact O-CB 3.24Å; G173-S218 PolarHBondContact O-OG 3.35Å; F175-S218 WeakPolarHBondContact CE1-OG 3.15Å; G183-S218 WeakPolarHBondContact CA-OG 3.25Å; K184-S218 PolarHBondContact N-OG 2.7Å; K184-S218 WeakPolarHBondContact O-CB 3.42Å
219	Q	98.7	Very high	96.8	Very high	11 Å²	11	24 Å²	24	5%	0.051	14%	0.135	C	C	.	.			trans	-71.6	139.3	-179.6	-66.1	-173.9	47.6	0	0	110.2	H162 G172 D174 G180 G182 M208 A209	H162-Q219 PolarHBondContact CE1-OE1 3.2Å; G172-Q219 VanDerWaalsContact O-CA 3.27Å; G172-Q219 WeakPolarHBondContact O-CA 3.42Å; D174-Q219 HydrophobicContact CB-CG 3.94Å; G180-Q219 PolarHBondContact O-NE2 2.99Å; G182-Q219 PolarHBondContact O-NE2 2.96Å; M208-Q219 WeakPolarHBondContact CE-O 3.36Å; A209-Q219 HydrophobicContact CB-CB 3.73Å; A209-Q219 PolarHBondContact N-O 3.24Å
220	F	98.9	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	165.6	-178.5	67.9	-89.9	0	0	0	109.6	F116 F144 Y156 F161 Q171 G172 L206 S207 I222 F237 I266	F116-F220 HydrophobicContact CD2-CZ 4.38Å; F116-F220 HydrophobicContact CE2-CE1 4.19Å; F116-F220 AromaticContact CE2-CE2 3.83Å; F116-F220 HydrophobicContact CE2-CE2 3.83Å; F116-F220 AromaticContact CE2-CZ 3.37Å; F116-F220 HydrophobicContact CE2-CZ 3.37Å; F116-F220 HydrophobicContact CZ-CE1 4.19Å; F116-F220 AromaticContact CZ-CZ 3.81Å; F116-F220 HydrophobicContact CZ-CZ 3.81Å; F144-F220 HydrophobicContact CD2-CD1 4.44Å; F144-F220 HydrophobicContact CE2-CB 3.96Å; F144-F220 AromaticContact CE2-CD1 3.52Å; F144-F220 HydrophobicContact CE2-CD1 3.52Å; F144-F220 HydrophobicContact CE2-CD2 4.02Å; F144-F220 AromaticContact CE2-CE1 3.93Å; F144-F220 HydrophobicContact CE2-CE1 3.93Å; F144-F220 HydrophobicContact CE2-CE2 4.4Å; F144-F220 AromaticContact CE2-CG 3.56Å; F144-F220 HydrophobicContact CE2-CG 3.56Å; F144-F220 HydrophobicContact CE2-CZ 4.36Å; F144-F220 HydrophobicContact CZ-CD1 4.29Å; F144-F220 HydrophobicContact CZ-CD2 4.32Å; F144-F220 HydrophobicContact CZ-CE1 4.31Å; F144-F220 HydrophobicContact CZ-CE2 4.36Å; F144-F220 HydrophobicContact CZ-CG 4.3Å; F144-F220 HydrophobicContact CZ-CZ 4.36Å; Y156-F220 HydrophobicContact CD1-CE1 4.18Å; Y156-F220 HydrophobicContact CE1-CD1 4.04Å; Y156-F220 AromaticContact CE1-CE1 3.92Å; Y156-F220 HydrophobicContact CE1-CE1 3.92Å; Y156-F220 HydrophobicContact CE2-CE1 4.35Å; Y156-F220 AromaticContact CZ-CD1 3.91Å; Y156-F220 AromaticContact CZ-CE1 4Å; F161-F220 AromaticContact CE1-CE2 3.75Å; F161-F220 HydrophobicContact CE1-CE2 3.75Å; F161-F220 HydrophobicContact CE1-CZ 4.09Å; F161-F220 HydrophobicContact CE2-CZ 4.5Å; F161-F220 AromaticContact CZ-CE2 3.71Å; F161-F220 HydrophobicContact CZ-CE2 3.71Å; F161-F220 AromaticContact CZ-CZ 3.78Å; F161-F220 HydrophobicContact CZ-CZ 3.78Å; Q171-F220 WeakPolarHBondContact CA-O 3.46Å; Q171-F220 WeakPolarHBondContact CG-O 3.45Å; G172-F220 PolarHBondContact N-O 2.85Å; G172-F220 PolarHBondContact O-N 3.23Å; L206-F220 HydrophobicContact CD1-CB 4.47Å; L206-F220 HydrophobicContact CD1-CD2 3.54Å; L206-F220 HydrophobicContact CD1-CE2 4.15Å; L206-F220 HydrophobicContact CD1-CG 4.32Å; S207-F220 CarbonylContact O-C 3.38Å; S207-F220 VanDerWaalsContact O-CA 3.3Å; S207-F220 WeakPolarHBondContact O-CA 3.35Å; F220-I222 HydrophobicContact CE2-CD1 4.48Å; F220-I222 HydrophobicContact CE2-CG1 4.38Å; F220-F237 HydrophobicContact CB-CE1 4.5Å; F220-F237 HydrophobicContact CB-CZ 4.26Å; F220-I266 HydrophobicContact CZ-CD1 4.29Å
221	F	98.8	Very high	96.8	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.2	170.5	62.8	-81	0	0	0	112.1	W60 M169 C170 Q171 H200 S207 M208 A209 C223 L230 H234	W60-F221 AromaticContact CH2-CD1 3.38Å; W60-F221 HydrophobicContact CH2-CD1 3.38Å; W60-F221 AromaticContact CH2-CE1 3.38Å; W60-F221 HydrophobicContact CH2-CE1 3.38Å; W60-F221 HydrophobicContact CH2-CG 4.23Å; W60-F221 HydrophobicContact CH2-CZ 4.2Å; W60-F221 AromaticContact CZ2-CD1 3.88Å; W60-F221 HydrophobicContact CZ2-CD1 3.88Å; W60-F221 HydrophobicContact CZ2-CE1 4.31Å; W60-F221 HydrophobicContact CZ2-CG 4.44Å; W60-F221 HydrophobicContact CZ3-CD1 4.31Å; W60-F221 AromaticContact CZ3-CE1 3.92Å; W60-F221 HydrophobicContact CZ3-CE1 3.92Å; W60-F221 HydrophobicContact CZ3-CZ 4.38Å; M169-F221 HydrophobicContact CB-CB 4.33Å; M169-F221 HydrophobicContact CB-CD2 3.99Å; M169-F221 HydrophobicContact CG-CB 4.42Å; M169-F221 HydrophobicContact CG-CD2 4.25Å; M169-F221 HydrophobicContact SD-CB 3.59Å; M169-F221 VanDerWaalsContact SD-CB 3.59Å; M169-F221 HydrophobicContact SD-CD2 4.39Å; M169-F221 HydrophobicContact SD-CG 4.18Å; C170-F221 CarbonylContact O-C 3.56Å; C170-F221 WeakPolarHBondContact O-CA 3.46Å; Q171-F221 HydrophobicContact CB-CB 4.18Å; Q171-F221 HydrophobicContact CG-CB 4.24Å; H200-F221 AromaticContact CD2-CE2 3.88Å; H200-F221 AromaticContact CD2-CZ 3.97Å; H200-F221 AromaticContact NE2-CE2 3.92Å; H200-F221 AromaticContact NE2-CZ 3.5Å; H200-F221 WeakPolarHBondContact NE2-CZ 3.49Å; S207-F221 PolarHBondContact N-O 2.92Å; S207-F221 VanDerWaalsContact O-CD1 3.31Å; S207-F221 WeakPolarHBondContact O-CD1 3.5Å; S207-F221 PolarHBondContact O-N 3.04Å; S207-F221 WeakPolarHBondContact OG-CZ 3.41Å; M208-F221 WeakPolarHBondContact O-CE1 3.38Å; A209-F221 HydrophobicContact CB-CD1 4.3Å; F221-C223 VanDerWaalsContact CE2-SG 3.59Å; F221-L230 HydrophobicContact CE2-CD1 3.55Å; F221-L230 HydrophobicContact CZ-CD1 3.6Å; F221-H234 HydrophobicContact CE1-CB 4.03Å; F221-H234 HydrophobicContact CZ-CB 3.98Å
222	I	98.8	Very high	96.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.7	171.7	-58.5	169.8	0	0	0	107.3	F161 M169 C170 V205 L206 F220 V240 V247	F161-I222 HydrophobicContact CE1-CD1 4.28Å; F161-I222 HydrophobicContact CZ-CD1 4.19Å; M169-I222 CarbonylContact C-O 3.58Å; M169-I222 WeakPolarHBondContact CA-O 3.1Å; M169-I222 VanDerWaalsContact CB-O 3.32Å; M169-I222 WeakPolarHBondContact CB-O 3.31Å; C170-I222 PolarHBondContact N-O 2.95Å; C170-I222 PolarHBondContact O-N 2.93Å; V205-I222 WeakPolarHBondContact O-CA 3.46Å; L206-I222 HydrophobicContact CD1-CG1 3.76Å; F220-I222 HydrophobicContact CE2-CD1 4.48Å; F220-I222 HydrophobicContact CE2-CG1 4.38Å; I222-V240 HydrophobicContact CD1-CG2 4.28Å; I222-V240 HydrophobicContact CG2-CG2 3.82Å; I222-V247 HydrophobicContact CD1-CG2 4.43Å; I222-V247 HydrophobicContact CG2-CG1 4.01Å; I222-V247 HydrophobicContact CG2-CG2 4.34Å
223	C	98.3	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.3	173.9	-72.2	0	0	0	0	111.1	G204 V205 F221 T225	G204-C223 PolarHBondContact N-O 3.11Å; V205-C223 HydrophobicContact CB-CB 4.21Å; V205-C223 PolarHBondContact O-N 2.87Å; F221-C223 VanDerWaalsContact CE2-SG 3.59Å; C223-T225 WeakPolarHBondContact CB-O 3.48Å
224	T	97.6	Very high	97.2	Very high	13 Å²	13	25 Å²	25	8%	0.08	13%	0.134	C	C	.	.	S	Bend	trans	-109.7	4.5	172.5	64.4	0	0	0	0	112.9	Q167 F168 F203 V247 E251	Q167-T224 PolarHBondContact N-OG1 2.9Å; F168-T224 PolarHBondContact N-OG1 3.04Å; F168-T224 VanDerWaalsContact N-OG1 3.12Å; F168-T224 PolarHBondContact O-N 3.42Å; F168-T224 PolarHBondContact O-OG1 2.97Å; F203-T224 WeakPolarHBondContact CD2-O 3.35Å; F203-T224 HydrophobicContact CE2-CG2 4.13Å; T224-V247 HydrophobicContact CG2-CG1 3.75Å; T224-E251 WeakPolarHBondContact CB-OE1 3.43Å; T224-E251 HydrophobicContact CG2-CG 3.98Å; T224-E251 WeakPolarHBondContact CG2-OE1 3.34Å; T224-E251 PolarHBondContact OG1-OE1 2.81Å
225	T	96.5	Very high	97.3	Very high	25 Å²	25	21.4 Å²	21.4	15%	0.153	12%	0.115	C	C	.	.	S	Bend	trans	-146.8	-179.2	169.5	-169	0	0	0	0	109.3	Q167 G202 C223 C227 W229	Q167-T225 WeakPolarHBondContact O-CG2 3.16Å; G202-T225 CarbonylContact C-O 3.55Å; C223-T225 WeakPolarHBondContact CB-O 3.48Å; T225-C227 PolarHBondContact O-N 2.83Å; T225-C227 PolarHBondContact O-SG 2.65Å; T225-C227 VanDerWaalsContact O-SG 3.42Å; T225-W229 HydrophobicContact CG2-CH2 4.11Å
226	K	97.5	Very high	97.4	Very high	105 Å²	105	21.1 Å²	21.1	46%	0.457	11%	0.113	S	C	.	.			trans	-73.4	110.4	168	-177.9	170.7	-176.6	-98.7	0	109.2	H200 D228 W229	H200-K226 WeakPolarHBondContact O-CG 3.42Å; K226-D228 HydrophobicContact CG-CB 4.34Å; K226-D228 IonicContact NZ-OD2 2.7Å; K226-D228 PolarHBondContact NZ-OD2 3.39Å; K226-W229 WeakPolarHBondContact O-CZ3 3.09Å
227	C	94.4	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.			trans	-105.5	46.6	-175.4	-54.2	0	0	0	0	112	F168 H200 T225 W229 L230	F168-C227 HydrophobicContact CE2-CB 4.38Å; F168-C227 PolarHBondContact O-SG 2.67Å; F168-C227 VanDerWaalsContact O-SG 3.4Å; H200-C227 HydrophobicContact CB-CB 4.05Å; H200-C227 WeakPolarHBondContact CB-O 3.4Å; H200-C227 PolarHBondContact O-N 3.11Å; T225-C227 PolarHBondContact O-N 2.83Å; T225-C227 PolarHBondContact O-SG 2.65Å; T225-C227 VanDerWaalsContact O-SG 3.42Å; C227-W229 HydrophobicContact CB-CH2 4.18Å; C227-W229 HydrophobicContact CB-CZ2 4.02Å; C227-W229 PolarHBondContact O-N 2.85Å; C227-W229 VanDerWaalsContact O-N 3.08Å; C227-L230 HydrophobicContact CB-CD1 3.88Å; C227-L230 HydrophobicContact CB-CG 4.25Å; C227-L230 VanDerWaalsContact O-CB 3.31Å; C227-L230 WeakPolarHBondContact O-CB 3.27Å; C227-L230 PolarHBondContact O-N 3.46Å
228	D	96.3	Very high	97.5	Very high	40 Å²	40	20.9 Å²	20.9	21%	0.214	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18.9	-170.6	61.1	4.5	0	0	0	114.7	R77 K226 L230 D231	R77-D228 IonicContact NH1-OD2 3.99Å; K226-D228 HydrophobicContact CG-CB 4.34Å; K226-D228 IonicContact NZ-OD2 2.7Å; K226-D228 PolarHBondContact NZ-OD2 3.39Å; D228-L230 PolarHBondContact O-N 3.43Å; D228-D231 VanDerWaalsContact O-CB 3.26Å; D228-D231 WeakPolarHBondContact O-CB 3.16Å; D228-D231 VanDerWaalsContact O-CG 3.26Å; D228-D231 PolarHBondContact O-N 3.47Å
229	W	95.1	Very high	97.5	Very high	57 Å²	57	26.2 Å²	26.2	22%	0.216	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-65.8	-12.2	171.5	61.8	89.5	0	0	0	114.3	W65 Y69 F168 T225 K226 C227 K233	W65-W229 AromaticContact CH2-CD1 3.88Å; W65-W229 AromaticContact CH2-NE1 3.83Å; Y69-W229 HydrophobicContact CD1-CB 4.43Å; F168-W229 HydrophobicContact CD2-CH2 4.37Å; F168-W229 AromaticContact CD2-CZ2 3.55Å; F168-W229 HydrophobicContact CD2-CZ2 3.55Å; F168-W229 AromaticContact CE2-CE2 3.91Å; F168-W229 AromaticContact CE2-CZ2 3.48Å; F168-W229 HydrophobicContact CE2-CZ2 3.48Å; F168-W229 VanDerWaalsContact CE2-CZ2 3.48Å; F168-W229 AromaticContact CE2-NE1 3.77Å; F168-W229 HydrophobicContact CZ-CZ2 4.43Å; T225-W229 HydrophobicContact CG2-CH2 4.11Å; K226-W229 WeakPolarHBondContact O-CZ3 3.09Å; C227-W229 HydrophobicContact CB-CH2 4.18Å; C227-W229 HydrophobicContact CB-CZ2 4.02Å; C227-W229 PolarHBondContact O-N 2.85Å; C227-W229 VanDerWaalsContact O-N 3.08Å; W229-K233 PolarHBondContact O-NZ 3.44Å
230	L	96.3	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-91.3	-8.9	173.5	-59.9	-178	0	0	0	113.2	W60 W65 F168 H200 F221 C227 D228 K233 H234	W60-L230 HydrophobicContact CE3-CD2 4.49Å; W65-L230 HydrophobicContact CH2-CD2 3.55Å; W65-L230 HydrophobicContact CZ2-CD2 3.79Å; F168-L230 HydrophobicContact CE2-CD1 4.05Å; F168-L230 HydrophobicContact CZ-CD1 4.38Å; H200-L230 PolarHBondContact CE1-O 3.21Å; F221-L230 HydrophobicContact CE2-CD1 3.55Å; F221-L230 HydrophobicContact CZ-CD1 3.6Å; C227-L230 HydrophobicContact CB-CD1 3.88Å; C227-L230 HydrophobicContact CB-CG 4.25Å; C227-L230 VanDerWaalsContact O-CB 3.31Å; C227-L230 WeakPolarHBondContact O-CB 3.27Å; C227-L230 PolarHBondContact O-N 3.46Å; D228-L230 PolarHBondContact O-N 3.43Å; L230-K233 PolarHBondContact O-N 3.08Å; L230-K233 VanDerWaalsContact O-N 3.17Å; L230-H234 PolarHBondContact O-N 3.15Å
231	D	96.8	Very high	97.5	Very high	29 Å²	29	28.8 Å²	28.8	16%	0.155	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.2	178.4	-66.8	-15.8	0	0	0	110.9	R199 H200 D228 K233	R199-D231 IonicContact CZ-OD2 3.92Å; R199-D231 IonicContact NE-OD2 3.48Å; R199-D231 PolarHBondContact NE-OD2 3.33Å; R199-D231 IonicContact NH2-OD2 2.7Å; R199-D231 PolarHBondContact NH2-OD2 2.92Å; H200-D231 IonicContact CE1-OD1 2.87Å; H200-D231 IonicContact CG-OD1 2.87Å; H200-D231 PolarHBondContact N-OD1 3.35Å; H200-D231 IonicContact ND1-OD1 3.11Å; H200-D231 PolarHBondContact ND1-OD1 3.43Å; D228-D231 VanDerWaalsContact O-CB 3.26Å; D228-D231 WeakPolarHBondContact O-CB 3.16Å; D228-D231 VanDerWaalsContact O-CG 3.26Å; D228-D231 PolarHBondContact O-N 3.47Å; D231-K233 PolarHBondContact O-N 2.81Å
232	G	95.6	Very high	97.5	Very high	46 Å²	46	33.2 Å²	33.2	47%	0.474	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	2.9	-176.8	0	0	0	0	0	115.4
233	K	96.6	Very high	97.5	Very high	93 Å²	93	33.3 Å²	33.3	40%	0.404	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-31.1	179.7	-63.3	171.9	-173.8	160.5	0	113.5	N210 W229 L230 D231	N210-K233 PolarHBondContact ND2-O 3.28Å; W229-K233 PolarHBondContact O-NZ 3.44Å; L230-K233 PolarHBondContact O-N 3.08Å; L230-K233 VanDerWaalsContact O-N 3.17Å; D231-K233 PolarHBondContact O-N 2.81Å
234	H	98.3	Very high	97.5	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.023	19%	0.187	C	C	.	.	S	Bend	trans	-124.8	127.5	-179.7	-65.1	-79.2	0	0	0	109.3	W60 H200 S207 M208 N210 F221 L230 V236	W60-H234 AromaticContact CE3-CE1 3.9Å; W60-H234 AromaticContact CE3-NE2 3.83Å; W60-H234 AromaticContact CH2-CE1 3.8Å; W60-H234 AromaticContact CH2-ND1 3.84Å; W60-H234 AromaticContact CZ3-CD2 3.83Å; W60-H234 AromaticContact CZ3-CE1 3.1Å; W60-H234 WeakPolarHBondContact CZ3-CE1 3.42Å; W60-H234 AromaticContact CZ3-CG 3.93Å; W60-H234 AromaticContact CZ3-ND1 3.48Å; W60-H234 WeakPolarHBondContact CZ3-ND1 3.43Å; W60-H234 AromaticContact CZ3-NE2 3.31Å; W60-H234 VanDerWaalsContact CZ3-NE2 3.31Å; W60-H234 WeakPolarHBondContact CZ3-NE2 3.13Å; H200-H234 PolarHBondContact CE1-O 2.82Å; S207-H234 WeakPolarHBondContact OG-CB 3.48Å; M208-H234 WeakPolarHBondContact O-CB 3.41Å; M208-H234 PolarHBondContact O-ND1 3.19Å; N210-H234 VanDerWaalsContact CG-CE1 3.49Å; N210-H234 PolarHBondContact ND2-ND1 2.73Å; N210-H234 PolarHBondContact OD1-CE1 3.06Å; F221-H234 HydrophobicContact CE1-CB 4.03Å; F221-H234 HydrophobicContact CZ-CB 3.98Å; L230-H234 PolarHBondContact O-N 3.15Å; H234-V236 PolarHBondContact O-N 3.28Å
235	V	98.6	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.			trans	-70.5	111.8	-179.4	179.6	0	0	0	0	108.9	V137 T140 D193 F196 S207 M208	V137-V235 HydrophobicContact CG1-CG1 4Å; T140-V235 HydrophobicContact CG2-CG1 4.13Å; D193-V235 HydrophobicContact CB-CG2 3.82Å; F196-V235 HydrophobicContact CD1-CG2 4.42Å; F196-V235 HydrophobicContact CE1-CG2 3.97Å; S207-V235 WeakPolarHBondContact CA-O 3.43Å; S207-V235 PolarHBondContact OG-O 3.28Å; M208-V235 HydrophobicContact CB-CB 4.45Å; M208-V235 HydrophobicContact CG-CB 4.4Å; M208-V235 PolarHBondContact N-O 3.05Å
236	V	98.8	Very high	97.6	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.1	169.9	174.3	0	0	0	0	108.7	L198 H200 V205 H234	L198-V236 HydrophobicContact CB-CB 3.64Å; L198-V236 HydrophobicContact CB-CG1 3.64Å; L198-V236 HydrophobicContact CD1-CG1 4.33Å; L198-V236 WeakPolarHBondContact CD1-O 3.44Å; H200-V236 WeakPolarHBondContact CE1-CG2 3.31Å; H200-V236 WeakPolarHBondContact NE2-CG2 3.15Å; V205-V236 HydrophobicContact CG1-CB 4.37Å; V205-V236 HydrophobicContact CG1-CG1 3.5Å; V205-V236 HydrophobicContact CG1-CG2 3.98Å; H234-V236 PolarHBondContact O-N 3.28Å
237	F	98.8	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	2.8	-173.9	67.9	-92.5	0	0	0	115.4	L132 R133 V137 T140 F144 L206 S207 M208 F220	L132-F237 HydrophobicContact CD2-CD2 4.18Å; L132-F237 HydrophobicContact CD2-CE2 4.17Å; R133-F237 PolarHBondContact N-O 3.07Å; V137-F237 HydrophobicContact CG2-CB 3.51Å; T140-F237 HydrophobicContact CG2-CB 3.62Å; T140-F237 HydrophobicContact CG2-CD1 3.74Å; T140-F237 HydrophobicContact CG2-CD2 4.44Å; T140-F237 HydrophobicContact CG2-CG 3.69Å; F144-F237 HydrophobicContact CB-CD2 4.21Å; F144-F237 HydrophobicContact CB-CE2 3.56Å; F144-F237 HydrophobicContact CB-CZ 4.19Å; F144-F237 AromaticContact CD1-CE2 3.85Å; F144-F237 HydrophobicContact CD1-CE2 3.85Å; F144-F237 AromaticContact CD2-CE2 3.42Å; F144-F237 HydrophobicContact CD2-CE2 3.42Å; F144-F237 VanDerWaalsContact CD2-CE2 3.42Å; F144-F237 AromaticContact CD2-CZ 3.31Å; F144-F237 HydrophobicContact CD2-CZ 3.31Å; F144-F237 HydrophobicContact CE1-CE2 4.37Å; F144-F237 AromaticContact CE2-CE2 3.99Å; F144-F237 HydrophobicContact CE2-CE2 3.99Å; F144-F237 AromaticContact CE2-CZ 3.7Å; F144-F237 HydrophobicContact CE2-CZ 3.7Å; F144-F237 HydrophobicContact CG-CD2 4.37Å; F144-F237 AromaticContact CG-CE2 3.32Å; F144-F237 HydrophobicContact CG-CE2 3.32Å; F144-F237 AromaticContact CG-CZ 3.78Å; F144-F237 HydrophobicContact CG-CZ 3.78Å; F144-F237 HydrophobicContact CZ-CE2 4.43Å; F144-F237 HydrophobicContact CZ-CZ 4.44Å; L206-F237 HydrophobicContact CD1-CZ 4.11Å; L206-F237 HydrophobicContact CD2-CD2 4.02Å; L206-F237 HydrophobicContact CD2-CE2 3.24Å; L206-F237 HydrophobicContact CD2-CZ 3.61Å; L206-F237 HydrophobicContact CG-CD2 4.33Å; L206-F237 HydrophobicContact CG-CE1 4.05Å; L206-F237 HydrophobicContact CG-CE2 3.57Å; L206-F237 HydrophobicContact CG-CZ 3.42Å; L206-F237 VanDerWaalsContact CG-CZ 3.42Å; L206-F237 PolarHBondContact O-N 3.49Å; S207-F237 VanDerWaalsContact C-CE1 3.4Å; M208-F237 HydrophobicContact CB-CE1 4.48Å; M208-F237 HydrophobicContact CG-CD1 3.73Å; M208-F237 HydrophobicContact CG-CE1 3.69Å; M208-F237 HydrophobicContact SD-CD1 3.96Å; M208-F237 HydrophobicContact SD-CE1 3.4Å; M208-F237 WeakPolarHBondContact SD-CE1 3.49Å; M208-F237 HydrophobicContact SD-CZ 3.98Å; F220-F237 HydrophobicContact CB-CE1 4.5Å; F220-F237 HydrophobicContact CB-CZ 4.26Å
238	G	98.7	Very high	97.8	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	-172.2	176.9	0	0	0	0	0	113.4	E131 L206	E131-G238 CarbonylContact O-C 3.5Å; E131-G238 WeakPolarHBondContact O-CA 3.12Å; L206-G238 PolarHBondContact N-O 3.1Å; L206-G238 PolarHBondContact O-N 3.2Å
239	R	98.7	Very high	97.9	Very high	113 Å²	113	43.2 Å²	43.2	43%	0.426	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	146.1	176.2	-161.7	174.8	-171.4	163.6	2.4	111.5	M130 E131 F203 G204 V241	M130-R239 CarbonylContact C-O 3.57Å; M130-R239 VanDerWaalsContact CA-O 3.28Å; M130-R239 WeakPolarHBondContact CA-O 3.43Å; E131-R239 PolarHBondContact N-O 2.94Å; E131-R239 PolarHBondContact O-N 3.49Å; F203-R239 PolarHBondContact O-NE 3.43Å; F203-R239 PolarHBondContact O-NH2 3.33Å; F203-R239 VanDerWaalsContact O-NH2 3.13Å; G204-R239 CarbonylContact O-C 3.52Å; G204-R239 VanDerWaalsContact O-CA 3.3Å; G204-R239 WeakPolarHBondContact O-CA 3.26Å; G204-R239 WeakPolarHBondContact O-CG 3.22Å; R239-V241 PolarHBondContact O-N 3.3Å
240	V	98.7	Very high	98.1	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	118.6	165.6	177.9	0	0	0	0	109.2	I128 V129 M130 G204 I222 D242 Q244 V247	I128-V240 HydrophobicContact CG2-CG1 3.92Å; I128-V240 HydrophobicContact CG2-CG2 3.86Å; V129-V240 CarbonylContact O-C 3.54Å; V129-V240 WeakPolarHBondContact O-CA 3.05Å; M130-V240 HydrophobicContact CG-CG2 4.01Å; G204-V240 PolarHBondContact O-N 3.45Å; I222-V240 HydrophobicContact CD1-CG2 4.28Å; I222-V240 HydrophobicContact CG2-CG2 3.82Å; V240-D242 VanDerWaalsContact CG1-O 3.25Å; V240-D242 WeakPolarHBondContact CG1-O 3.38Å; V240-Q244 HydrophobicContact CG1-CG 4.07Å; V240-V247 HydrophobicContact CG2-CG2 4.3Å
241	V	98.4	Very high	98	Very high	59 Å²	59	41.4 Å²	41.4	36%	0.358	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-24.5	178.9	-66.5	0	0	0	0	112.6	V129 E131 R239 Q244	V129-V241 HydrophobicContact CB-CG2 4.09Å; V129-V241 HydrophobicContact CG1-CG2 3.76Å; V129-V241 WeakPolarHBondContact O-CG2 3.41Å; V129-V241 PolarHBondContact O-N 3.44Å; E131-V241 HydrophobicContact CB-CG1 3.59Å; E131-V241 HydrophobicContact CB-CG2 4.3Å; R239-V241 PolarHBondContact O-N 3.3Å; V241-Q244 PolarHBondContact O-NE2 2.89Å
242	D	98.7	Very high	97.9	Very high	95 Å²	95	44.2 Å²	44.2	51%	0.508	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.7	172.4	-174.5	28.3	0	0	0	110.3	V129 V240	V129-D242 HydrophobicContact CB-CB 3.94Å; V129-D242 HydrophobicContact CG2-CB 4.04Å; V129-D242 PolarHBondContact N-O 2.95Å; V129-D242 PolarHBondContact O-N 3.26Å; V240-D242 VanDerWaalsContact CG1-O 3.25Å; V240-D242 WeakPolarHBondContact CG1-O 3.38Å
243	G	98.5	Very high	98	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	21%	0.212	C	C	.	.			trans	83.1	24.6	-178.9	0	0	0	0	0	114.9	R127 N245 V246 V247	R127-G243 VanDerWaalsContact O-CA 3.24Å; R127-G243 WeakPolarHBondContact O-CA 3.44Å; G243-N245 WeakPolarHBondContact CA-OD1 3.19Å; G243-N245 PolarHBondContact O-N 3.41Å; G243-V246 WeakPolarHBondContact O-CB 3.46Å; G243-V246 PolarHBondContact O-N 3.2Å; G243-V247 PolarHBondContact O-N 3.44Å
244	Q	98.5	Very high	98	Very high	67 Å²	67	38.2 Å²	38.2	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-58.5	-31.5	176	-63.5	84.2	-2.8	0	0	112.1	F203 V240 V241 V246 V247 K248	F203-Q244 HydrophobicContact CD1-CB 4.35Å; F203-Q244 HydrophobicContact CD1-CG 4.08Å; F203-Q244 HydrophobicContact CE1-CB 3.57Å; F203-Q244 HydrophobicContact CE1-CG 3.67Å; F203-Q244 HydrophobicContact CZ-CB 4.23Å; V240-Q244 HydrophobicContact CG1-CG 4.07Å; V241-Q244 PolarHBondContact O-NE2 2.89Å; Q244-V246 VanDerWaalsContact C-N 3.31Å; Q244-V246 PolarHBondContact O-N 3.31Å; Q244-V247 PolarHBondContact O-N 2.83Å; Q244-K248 WeakPolarHBondContact O-CG 3.45Å; Q244-K248 PolarHBondContact O-N 3.27Å
245	N	98.4	Very high	98	Very high	96 Å²	96	39.3 Å²	39.3	51%	0.513	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-34.7	172.2	62.4	-41.9	0	0	0	112.6	G243 K248 K249	G243-N245 WeakPolarHBondContact CA-OD1 3.19Å; G243-N245 PolarHBondContact O-N 3.41Å; N245-K248 PolarHBondContact O-N 3.39Å; N245-K249 WeakPolarHBondContact O-CG 3.25Å; N245-K249 PolarHBondContact O-N 2.77Å
246	V	98.7	Very high	97.8	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-70	-41.7	177.3	-174.8	0	0	0	0	110.5	I118 A125 R127 I128 G243 Q244 K248 K249 M250	I118-V246 HydrophobicContact CB-CG1 3.83Å; I118-V246 HydrophobicContact CG1-CG1 3.97Å; I118-V246 HydrophobicContact CG2-CG1 4.36Å; A125-V246 HydrophobicContact CB-CG1 4.07Å; R127-V246 WeakPolarHBondContact O-CG2 3.34Å; I128-V246 HydrophobicContact CD1-CB 4.44Å; I128-V246 HydrophobicContact CD1-CG1 4.16Å; I128-V246 HydrophobicContact CG1-CB 3.83Å; I128-V246 HydrophobicContact CG1-CG1 3.86Å; G243-V246 WeakPolarHBondContact O-CB 3.46Å; G243-V246 PolarHBondContact O-N 3.2Å; Q244-V246 VanDerWaalsContact C-N 3.31Å; Q244-V246 PolarHBondContact O-N 3.31Å; V246-K248 VanDerWaalsContact C-N 3.32Å; V246-K248 PolarHBondContact O-N 2.82Å; V246-K249 WeakPolarHBondContact O-CB 3.46Å; V246-K249 PolarHBondContact O-N 3.3Å; V246-K249 VanDerWaalsContact O-N 3.14Å; V246-M250 WeakPolarHBondContact O-CG 3.41Å; V246-M250 PolarHBondContact O-N 2.8Å
247	V	98.4	Very high	97.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-44.6	172.7	-179.5	0	0	0	0	110.8	I128 F203 I222 T224 V240 G243 Q244 K249 M250 E251	I128-V247 HydrophobicContact CD1-CG2 3.72Å; I128-V247 HydrophobicContact CG1-CG2 4.07Å; I128-V247 HydrophobicContact CG2-CG2 4.34Å; F203-V247 HydrophobicContact CE1-CB 4.45Å; F203-V247 HydrophobicContact CE1-CG1 4.49Å; F203-V247 HydrophobicContact CE2-CG1 4.49Å; F203-V247 HydrophobicContact CZ-CB 3.93Å; F203-V247 HydrophobicContact CZ-CG1 3.83Å; I222-V247 HydrophobicContact CD1-CG2 4.43Å; I222-V247 HydrophobicContact CG2-CG1 4.01Å; I222-V247 HydrophobicContact CG2-CG2 4.34Å; T224-V247 HydrophobicContact CG2-CG1 3.75Å; V240-V247 HydrophobicContact CG2-CG2 4.3Å; G243-V247 PolarHBondContact O-N 3.44Å; Q244-V247 PolarHBondContact O-N 2.83Å; V247-K249 VanDerWaalsContact C-N 3.34Å; V247-K249 PolarHBondContact O-N 3.16Å; V247-M250 WeakPolarHBondContact O-CB 3.38Å; V247-M250 PolarHBondContact O-N 3.48Å; V247-M250 VanDerWaalsContact O-N 3.09Å; V247-E251 PolarHBondContact O-N 3.17Å
248	K	97.9	Very high	97.4	Very high	127 Å²	127	52 Å²	52	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-63.2	-35.8	175.5	-70.9	175.6	-179.6	180	0	113.1	F203 Q244 N245 V246 M250 E251 S252	F203-K248 HydrophobicContact CE2-CG 3.99Å; F203-K248 HydrophobicContact CZ-CG 3.95Å; Q244-K248 WeakPolarHBondContact O-CG 3.45Å; Q244-K248 PolarHBondContact O-N 3.27Å; N245-K248 PolarHBondContact O-N 3.39Å; V246-K248 VanDerWaalsContact C-N 3.32Å; V246-K248 PolarHBondContact O-N 2.82Å; K248-M250 VanDerWaalsContact C-N 3.29Å; K248-M250 PolarHBondContact O-N 3.35Å; K248-E251 WeakPolarHBondContact O-CB 3.47Å; K248-E251 PolarHBondContact O-N 3.24Å; K248-S252 PolarHBondContact O-N 2.84Å
249	K	98.1	Very high	97.2	Very high	99 Å²	99	59.3 Å²	59.3	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-34.2	172.6	-73.7	177.6	-176.8	-179.8	0	111.9	I120 A125 N245 V246 V247 E251 S252	I120-K249 HydrophobicContact CD1-CB 3.94Å; A125-K249 HydrophobicContact CB-CD 4.35Å; A125-K249 PolarHBondContact O-NZ 3.31Å; N245-K249 WeakPolarHBondContact O-CG 3.25Å; N245-K249 PolarHBondContact O-N 2.77Å; V246-K249 WeakPolarHBondContact O-CB 3.46Å; V246-K249 PolarHBondContact O-N 3.3Å; V246-K249 VanDerWaalsContact O-N 3.14Å; V247-K249 VanDerWaalsContact C-N 3.34Å; V247-K249 PolarHBondContact O-N 3.16Å; K249-E251 VanDerWaalsContact C-N 3.29Å; K249-E251 PolarHBondContact O-N 2.88Å; K249-S252 PolarHBondContact O-N 3.02Å; K249-S252 PolarHBondContact O-OG 3.47Å
250	M	98	Very high	97.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-38	174.7	-62.7	162	49	0	0	111	I118 I120 I128 F161 V164 C170 V246 V247 K248 S252 V253 G254 V264	I118-M250 HydrophobicContact CG1-SD 4.33Å; I118-M250 HydrophobicContact CG2-CG 4.22Å; I118-M250 HydrophobicContact CG2-SD 4.26Å; I120-M250 HydrophobicContact CD1-CG 4.19Å; I128-M250 HydrophobicContact CD1-SD 3.84Å; F161-M250 HydrophobicContact CB-CE 4.18Å; F161-M250 HydrophobicContact CD1-CE 3.41Å; F161-M250 VanDerWaalsContact CD1-CE 3.41Å; F161-M250 HydrophobicContact CD2-CE 3.57Å; F161-M250 HydrophobicContact CE1-CE 3.53Å; F161-M250 HydrophobicContact CE2-CE 3.68Å; F161-M250 HydrophobicContact CE2-SD 4.49Å; F161-M250 HydrophobicContact CG-CE 3.44Å; F161-M250 VanDerWaalsContact CG-CE 3.44Å; F161-M250 HydrophobicContact CZ-CE 3.66Å; V164-M250 WeakPolarHBondContact CG1-O 3.44Å; C170-M250 HydrophobicContact CB-CE 3.64Å; V246-M250 WeakPolarHBondContact O-CG 3.41Å; V246-M250 PolarHBondContact O-N 2.8Å; V247-M250 WeakPolarHBondContact O-CB 3.38Å; V247-M250 PolarHBondContact O-N 3.48Å; V247-M250 VanDerWaalsContact O-N 3.09Å; K248-M250 VanDerWaalsContact C-N 3.29Å; K248-M250 PolarHBondContact O-N 3.35Å; M250-S252 VanDerWaalsContact C-N 3.25Å; M250-S252 PolarHBondContact O-N 3.22Å; M250-V253 WeakPolarHBondContact O-CG2 3.4Å; M250-V253 PolarHBondContact O-N 3.11Å; M250-G254 PolarHBondContact O-N 3.49Å; M250-V264 HydrophobicContact CB-CG1 4.45Å; M250-V264 HydrophobicContact CE-CG1 3.99Å; M250-V264 HydrophobicContact CG-CG1 3.77Å; M250-V264 HydrophobicContact SD-CG1 4.25Å
251	E	95.5	Very high	97.2	Very high	18 Å²	18	62 Å²	62	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-33.3	176.1	-66.9	-174.5	-121.2	0	0	113.2	P166 Q167 T224 V247 K248 K249 V253 G254	P166-E251 WeakPolarHBondContact CA-OE2 3.41Å; P166-E251 HydrophobicContact CB-CB 4.4Å; P166-E251 WeakPolarHBondContact CG-O 3.25Å; Q167-E251 PolarHBondContact N-OE2 2.95Å; Q167-E251 PolarHBondContact NE2-OE2 2.96Å; T224-E251 WeakPolarHBondContact CB-OE1 3.43Å; T224-E251 HydrophobicContact CG2-CG 3.98Å; T224-E251 WeakPolarHBondContact CG2-OE1 3.34Å; T224-E251 PolarHBondContact OG1-OE1 2.81Å; V247-E251 PolarHBondContact O-N 3.17Å; K248-E251 WeakPolarHBondContact O-CB 3.47Å; K248-E251 PolarHBondContact O-N 3.24Å; K249-E251 VanDerWaalsContact C-N 3.29Å; K249-E251 PolarHBondContact O-N 2.88Å; E251-V253 PolarHBondContact O-N 3.18Å; E251-G254 PolarHBondContact O-N 3.39Å
252	S	95.1	Very high	97.1	Very high	88 Å²	88	63.8 Å²	63.8	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-65.5	-25.7	-178.8	65.9	0	0	0	0	113.4	K248 K249 M250	K248-S252 PolarHBondContact O-N 2.84Å; K249-S252 PolarHBondContact O-N 3.02Å; K249-S252 PolarHBondContact O-OG 3.47Å; M250-S252 VanDerWaalsContact C-N 3.25Å; M250-S252 PolarHBondContact O-N 3.22Å
253	V	97.4	Very high	97.1	Very high	10 Å²	10	63.2 Å²	63.2	6%	0.061	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.3	173.3	-60.9	0	0	0	0	113.2	I120 M250 E251 V260 K261 E262 V264	I120-V253 HydrophobicContact CG2-CB 4.39Å; I120-V253 HydrophobicContact CG2-CG1 3.65Å; I120-V253 HydrophobicContact CG2-CG2 3.94Å; M250-V253 WeakPolarHBondContact O-CG2 3.4Å; M250-V253 PolarHBondContact O-N 3.11Å; E251-V253 PolarHBondContact O-N 3.18Å; V253-V260 HydrophobicContact CG2-CG1 4.11Å; V253-K261 HydrophobicContact CB-CB 4.48Å; V253-K261 WeakPolarHBondContact O-CB 3.42Å; V253-K261 WeakPolarHBondContact O-CG 3.38Å; V253-K261 PolarHBondContact O-N 3.43Å; V253-E262 HydrophobicContact CG1-CB 4.31Å; V253-V264 HydrophobicContact CG2-CG2 3.48Å; V253-V264 VanDerWaalsContact CG2-CG2 3.48Å
254	G	96.9	Very high	97.1	Very high	3 Å²	3	63.2 Å²	63.2	3%	0.031	32%	0.32	C	S	.	.			trans	-82.7	-178.8	173.6	0	0	0	0	0	114.6	V164 M250 E251 K261	V164-G254 VanDerWaalsContact O-CA 3.28Å; V164-G254 WeakPolarHBondContact O-CA 3.46Å; M250-G254 PolarHBondContact O-N 3.49Å; E251-G254 PolarHBondContact O-N 3.39Å; G254-K261 VanDerWaalsContact O-CE 3.22Å; G254-K261 WeakPolarHBondContact O-CE 3.49Å; G254-K261 PolarHBondContact O-NZ 3.13Å
255	S	96.7	Very high	97.1	Very high	28 Å²	28	62.1 Å²	62.1	20%	0.196	32%	0.316	C	S	.	.			trans	-151	165.2	174.9	66.5	0	0	0	0	111.6	V164 P166 S257 G258 K259	V164-S255 PolarHBondContact O-N 3.49Å; P166-S255 WeakPolarHBondContact CD-O 3.44Å; S255-S257 PolarHBondContact O-N 3.26Å; S255-S257 PolarHBondContact OG-OG 2.87Å; S255-G258 WeakPolarHBondContact O-CA 3.42Å; S255-G258 PolarHBondContact O-N 3.46Å; S255-G258 PolarHBondContact OG-N 2.94Å; S255-K259 WeakPolarHBondContact CB-O 3.4Å; S255-K259 PolarHBondContact OG-N 2.96Å; S255-K259 PolarHBondContact OG-O 3.45Å
256	K	94.8	Very high	97.1	Very high	194 Å²	194	57.5 Å²	57.5	84%	0.843	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.4	177.6	-66.5	-172.9	178.8	-176.8	0	113.2	G258	K256-G258 PolarHBondContact O-N 2.82Å
257	S	93.9	Very high	97.1	Very high	79 Å²	79	59.2 Å²	59.2	55%	0.552	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.8	174.4	61.3	0	0	0	0	112.7	S255 K259	S255-S257 PolarHBondContact O-N 3.26Å; S255-S257 PolarHBondContact OG-OG 2.87Å; S257-K259 PolarHBondContact OG-N 3.37Å
258	G	95.3	Very high	97.1	Very high	2 Å²	2	65.7 Å²	65.7	2%	0.021	33%	0.328	C	S	.	.			trans	92.2	-7.8	-174.4	0	0	0	0	0	114.1	R163 V164 S255 K256 V260	R163-G258 CarbonylContact C-O 3.55Å; R163-G258 VanDerWaalsContact CA-O 3.25Å; R163-G258 WeakPolarHBondContact CA-O 3.3Å; R163-G258 WeakPolarHBondContact CG-O 3.41Å; V164-G258 PolarHBondContact N-O 3.38Å; V164-G258 WeakPolarHBondContact O-CA 3.32Å; S255-G258 WeakPolarHBondContact O-CA 3.42Å; S255-G258 PolarHBondContact O-N 3.46Å; S255-G258 PolarHBondContact OG-N 2.94Å; K256-G258 PolarHBondContact O-N 2.82Å; G258-V260 PolarHBondContact O-N 3Å
259	K	95.9	Very high	97.2	Very high	159 Å²	159	60.6 Å²	60.6	69%	0.691	31%	0.308	S	S	*	.			trans	-60.6	132.4	175	-176.4	179	177.7	-178.5	0	109.8	S255 S257	S255-K259 WeakPolarHBondContact CB-O 3.4Å; S255-K259 PolarHBondContact OG-N 2.96Å; S255-K259 PolarHBondContact OG-O 3.45Å; S257-K259 PolarHBondContact OG-N 3.37Å
260	V	98	Very high	97.2	Very high	29 Å²	29	56.2 Å²	56.2	18%	0.176	29%	0.291	C	S	.	.			trans	-91.3	132.5	179.6	-163.1	0	0	0	0	109.5	V164 V253 G258 E262 V264	V164-V260 HydrophobicContact CB-CG2 4.19Å; V164-V260 HydrophobicContact CG2-CG1 4.43Å; V164-V260 HydrophobicContact CG2-CG2 3.89Å; V253-V260 HydrophobicContact CG2-CG1 4.11Å; G258-V260 PolarHBondContact O-N 3Å; V260-E262 WeakPolarHBondContact CG1-O 3.27Å; V260-V264 HydrophobicContact CG1-CG2 3.74Å
261	K	97.5	Very high	97.2	Very high	146 Å²	146	60.2 Å²	60.2	64%	0.635	31%	0.31	S	S	*	.	S	Bend	trans	-79.3	-33	-174.6	-63.1	172.9	-171.8	162.7	0	112.8	V253 G254	V253-K261 HydrophobicContact CB-CB 4.48Å; V253-K261 WeakPolarHBondContact O-CB 3.42Å; V253-K261 WeakPolarHBondContact O-CG 3.38Å; V253-K261 PolarHBondContact O-N 3.43Å; G254-K261 VanDerWaalsContact O-CE 3.22Å; G254-K261 WeakPolarHBondContact O-CE 3.49Å; G254-K261 PolarHBondContact O-NZ 3.13Å
262	E	97.4	Very high	97.3	Very high	96 Å²	96	62.1 Å²	62.1	45%	0.449	32%	0.32	S	S	.	.	S	Bend	trans	-133.3	151.1	178.7	-68.6	-178.5	-132.4	0	0	109.7	I120 V253 V260 V264	I120-E262 HydrophobicContact CG2-CB 4.4Å; V253-E262 HydrophobicContact CG1-CB 4.31Å; V260-E262 WeakPolarHBondContact CG1-O 3.27Å; E262-V264 PolarHBondContact O-N 3.22Å
263	P	98.2	Very high	96.9	Very high	83 Å²	83	68.6 Å²	68.6	54%	0.539	35%	0.346	S	S	.	.			trans	-56.4	124.9	176.4	-24.2	33.8	0	0	0	111.5	I120 G121 I265	I120-P263 CarbonylContact C-O 3.54Å; I120-P263 WeakPolarHBondContact CA-O 3.49Å; G121-P263 PolarHBondContact N-O 3.3Å; P263-I265 HydrophobicContact CB-CD1 4.14Å; P263-I265 HydrophobicContact CB-CG1 4.02Å
264	V	98.7	Very high	96.9	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	104.9	172.3	180	0	0	0	0	107.4	I118 R119 I120 C160 F161 M250 V253 V260 E262	I118-V264 HydrophobicContact CG2-CG1 3.93Å; R119-V264 WeakPolarHBondContact O-CA 3.45Å; I120-V264 HydrophobicContact CG1-CG1 4.45Å; I120-V264 HydrophobicContact CG1-CG2 4.29Å; I120-V264 HydrophobicContact CG2-CG2 4.47Å; C160-V264 CarbonylContact C-O 3.5Å; C160-V264 WeakPolarHBondContact CA-O 3.09Å; C160-V264 WeakPolarHBondContact CB-O 3.43Å; F161-V264 HydrophobicContact CB-CB 4.07Å; F161-V264 HydrophobicContact CB-CG1 3.95Å; F161-V264 HydrophobicContact CD2-CG1 3.89Å; F161-V264 HydrophobicContact CG-CG1 4.21Å; F161-V264 PolarHBondContact N-O 2.83Å; M250-V264 HydrophobicContact CB-CG1 4.45Å; M250-V264 HydrophobicContact CE-CG1 3.99Å; M250-V264 HydrophobicContact CG-CG1 3.77Å; M250-V264 HydrophobicContact SD-CG1 4.25Å; V253-V264 HydrophobicContact CG2-CG2 3.48Å; V253-V264 VanDerWaalsContact CG2-CG2 3.48Å; V260-V264 HydrophobicContact CG1-CG2 3.74Å; E262-V264 PolarHBondContact O-N 3.22Å
265	I	98.8	Very high	96.9	Very high	43 Å²	43	75.2 Å²	75.2	22%	0.221	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.6	-166.8	-52.5	-64.8	0	0	0	110.2	I118 R119 C160 P263 S267	I118-I265 WeakPolarHBondContact CA-O 3.42Å; R119-I265 PolarHBondContact N-O 3.13Å; R119-I265 PolarHBondContact O-N 3.05Å; C160-I265 HydrophobicContact CB-CD1 3.67Å; P263-I265 HydrophobicContact CB-CD1 4.14Å; P263-I265 HydrophobicContact CB-CG1 4.02Å; I265-S267 PolarHBondContact O-N 2.86Å; I265-S267 VanDerWaalsContact O-N 3.14Å
266	I	98.9	Very high	96.9	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	87.3	167.6	-58.3	169.8	0	0	0	106.9	F116 D117 I118 N158 C159 F161 F220 R268 C269	F116-I266 HydrophobicContact CB-CG2 4.1Å; F116-I266 HydrophobicContact CD1-CD1 4.26Å; F116-I266 HydrophobicContact CD1-CG1 4.49Å; F116-I266 HydrophobicContact CD1-CG2 3.58Å; F116-I266 HydrophobicContact CD2-CD1 4.17Å; F116-I266 HydrophobicContact CD2-CG1 4.43Å; F116-I266 HydrophobicContact CE1-CD1 4.17Å; F116-I266 HydrophobicContact CE1-CG2 4.19Å; F116-I266 HydrophobicContact CE2-CD1 4.09Å; F116-I266 HydrophobicContact CG-CD1 4.27Å; F116-I266 HydrophobicContact CG-CG1 4.27Å; F116-I266 HydrophobicContact CG-CG2 3.95Å; F116-I266 HydrophobicContact CZ-CD1 4.08Å; D117-I266 CarbonylContact O-C 3.41Å; I118-I266 HydrophobicContact CD1-CG1 4.01Å; N158-I266 WeakPolarHBondContact CA-O 3.24Å; N158-I266 PolarHBondContact N-O 3.37Å; C159-I266 HydrophobicContact CB-CD1 4.42Å; C159-I266 PolarHBondContact O-N 3.05Å; F161-I266 HydrophobicContact CD2-CG1 4.36Å; F161-I266 HydrophobicContact CE2-CD1 4.06Å; F161-I266 HydrophobicContact CE2-CG1 3.88Å; F220-I266 HydrophobicContact CZ-CD1 4.29Å; I266-R268 VanDerWaalsContact C-N 3.26Å; I266-R268 PolarHBondContact O-N 2.92Å; I266-C269 HydrophobicContact CG2-CB 3.73Å
267	S	98.6	Very high	97	Very high	39 Å²	39	70.9 Å²	70.9	27%	0.273	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-30.6	-176.2	60.5	0	0	0	0	111.7	D117 H157 I265	D117-S267 PolarHBondContact O-N 2.95Å; D117-S267 PolarHBondContact O-OG 2.65Å; D117-S267 VanDerWaalsContact O-OG 3.05Å; H157-S267 PolarHBondContact CE1-O 3.11Å; H157-S267 PolarHBondContact ND1-O 3.41Å; I265-S267 PolarHBondContact O-N 2.86Å; I265-S267 VanDerWaalsContact O-N 3.14Å
268	R	98.7	Very high	97.2	Very high	135 Å²	135	70.4 Å²	70.4	51%	0.509	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.7	172.3	-160.1	169.9	70.9	160.3	16.8	110.5	F115 F116 D117 I266	F115-R268 HydrophobicContact CE2-CB 4.39Å; F115-R268 HydrophobicContact CE2-CG 4.22Å; F115-R268 HydrophobicContact CZ-CG 4.41Å; F116-R268 CarbonylContact C-O 3.32Å; F116-R268 WeakPolarHBondContact CA-O 3.11Å; D117-R268 HydrophobicContact CB-CB 3.93Å; D117-R268 PolarHBondContact N-O 2.96Å; D117-R268 PolarHBondContact O-N 3.37Å; D117-R268 IonicContact OD2-CZ 3.52Å; D117-R268 IonicContact OD2-NE 2.9Å; D117-R268 PolarHBondContact OD2-NE 2.92Å; D117-R268 IonicContact OD2-NH2 3.48Å; D117-R268 PolarHBondContact OD2-NH2 3.43Å; I266-R268 VanDerWaalsContact C-N 3.26Å; I266-R268 PolarHBondContact O-N 2.92Å
269	C	98.8	Very high	97.3	Very high	20 Å²	20	75 Å²	75	14%	0.135	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.9	176.2	56.2	0	0	0	0	110.8	F115 F116 C148 H157 I266	F115-C269 WeakPolarHBondContact O-CA 3.08Å; F115-C269 WeakPolarHBondContact O-CB 3.44Å; F116-C269 HydrophobicContact CD1-CB 3.5Å; F116-C269 VanDerWaalsContact CD1-CB 3.5Å; F116-C269 HydrophobicContact CE1-CB 3.78Å; C148-C269 CarbonylContact O-C 3.46Å; C148-C269 VanDerWaalsContact O-C 3.32Å; C148-C269 PolarHBondContact O-SG 2.93Å; H157-C269 PolarHBondContact N-SG 2.93Å; I266-C269 HydrophobicContact CG2-CB 3.73Å
270	G	98.5	Very high	97.4	Very high	7 Å²	7	69 Å²	69	7%	0.072	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-166.9	178.3	0	0	0	0	0	112.4	V114 F115 C148	V114-G270 CarbonylContact C-O 3.58Å; V114-G270 WeakPolarHBondContact CA-O 3.29Å; V114-G270 WeakPolarHBondContact CB-O 3.4Å; F115-G270 WeakPolarHBondContact CD1-O 3.42Å; F115-G270 PolarHBondContact N-O 2.9Å; F115-G270 PolarHBondContact O-N 3.26Å; C148-G270 PolarHBondContact O-N 3.07Å
271	E	98.4	Very high	97.4	Very high	85 Å²	85	72.1 Å²	72.1	40%	0.397	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	146.1	176.4	-176.5	166.8	-160.7	0	0	110	R113 R145 T149	R113-E271 CarbonylContact O-C 3.55Å; R113-E271 WeakPolarHBondContact O-CA 3.4Å; R145-E271 WeakPolarHBondContact CD-OE1 3.35Å; R145-E271 WeakPolarHBondContact CD-OE2 3.37Å; R145-E271 IonicContact CZ-OE2 3.05Å; R145-E271 IonicContact NE-OE2 3.74Å; R145-E271 IonicContact NH1-OE2 3.71Å; R145-E271 PolarHBondContact NH1-OE2 3.37Å; T149-E271 HydrophobicContact CG2-CB 3.83Å
272	L	96	Very high	97.4	Very high	57 Å²	57	65.9 Å²	65.9	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	151	175.2	-63.7	175.8	0	0	0	109.7	R113 F115 V129	R113-L272 HydrophobicContact CB-CB 4.24Å; R113-L272 PolarHBondContact O-N 3.22Å; F115-L272 HydrophobicContact CB-CD1 4.2Å; F115-L272 HydrophobicContact CB-CG 4.37Å; F115-L272 HydrophobicContact CD1-CD2 3.71Å; F115-L272 HydrophobicContact CD1-CG 3.83Å; F115-L272 HydrophobicContact CE1-CD2 4.16Å; F115-L272 HydrophobicContact CG-CD2 4.43Å; F115-L272 HydrophobicContact CG-CG 4.47Å; V129-L272 HydrophobicContact CG1-CD1 3.86Å; V129-L272 HydrophobicContact CG2-CD1 4.03Å
273	I	87.8	Confident	97.4	Very high	225 Å²	225	63.2 Å²	63.2	100%	1.154	33%	0.328	S	S	*	.			trans	-71.2	0	173	-55.2	175.1	0	0	0	110.2

Retrieved 273 of 273 residues in 118.3 ms (Link to these results)

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