A0A077ZFP5_TRITR Loading...

Glyco hydro 19 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	80	Confident	90.8	Very high	172 Å²	172	81.2 Å²	81.2	85%	0.847	44%	0.439	S	S	*	.				0	128.7	0	-176.1	165.9	41.6	0	0	107.4	Q5 A6	M1-Q5 HydrophobicContact CG-CB 3.38Å; M1-Q5 HydrophobicContact CG-CG 4.5Å; M1-Q5 HydrophobicContact SD-CB 4.17Å; M1-A6 HydrophobicContact CE-CB 4.15Å; M1-A6 HydrophobicContact CG-CB 4.33Å; M1-A6 HydrophobicContact SD-CB 4.2Å
2	S	91.9	Very high	90.9	Very high	57 Å²	57	85 Å²	85	40%	0.399	44%	0.443	S	S	.	.			trans	-70.7	162.2	175.1	69.3	0	0	0	0	111	E4 Q5 A6	S2-E4 PolarHBondContact O-N 3.46Å; S2-Q5 PolarHBondContact O-N 2.76Å; S2-Q5 VanDerWaalsContact O-N 3.14Å; S2-Q5 WeakPolarHBondContact OG-CG 3.36Å; S2-Q5 PolarHBondContact OG-N 2.98Å; S2-A6 PolarHBondContact O-N 2.92Å
3	N	88.6	Confident	90.7	Very high	136 Å²	136	81 Å²	81	73%	0.727	44%	0.435	S	S	*	.	H	α-helix	trans	-56.7	-39.6	175.2	-71.2	-3.3	0	0	0	111.5	A6 S7	N3-A6 PolarHBondContact O-N 3.49Å; N3-S7 PolarHBondContact O-N 3.21Å; N3-S7 PolarHBondContact O-OG 3.49Å; N3-S7 VanDerWaalsContact O-OG 3.08Å
4	E	90.3	Very high	90.4	Very high	104 Å²	104	78.5 Å²	78.5	49%	0.486	44%	0.438	S	S	.	.	H	α-helix	trans	-64.2	-42.1	176.8	178.3	163	-134.1	0	0	112.8	S2 A6 S7 N8 K202	S2-E4 PolarHBondContact O-N 3.46Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-A6 PolarHBondContact O-N 3.48Å; E4-S7 PolarHBondContact O-N 2.96Å; E4-N8 VanDerWaalsContact O-CB 3.28Å; E4-N8 WeakPolarHBondContact O-CB 3.41Å; E4-N8 PolarHBondContact O-N 3.39Å; E4-N8 PolarHBondContact O-ND2 3.08Å; E4-K202 IonicContact OE1-NZ 2.76Å; E4-K202 PolarHBondContact OE1-NZ 2.78Å
5	Q	93.2	Very high	90.3	Very high	111 Å²	111	81.4 Å²	81.4	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-40.7	174.7	-73.2	174.7	-39	0	0	111.4	M1 S2 N8 C9	M1-Q5 HydrophobicContact CG-CB 3.38Å; M1-Q5 HydrophobicContact CG-CG 4.5Å; M1-Q5 HydrophobicContact SD-CB 4.17Å; S2-Q5 PolarHBondContact O-N 2.76Å; S2-Q5 VanDerWaalsContact O-N 3.14Å; S2-Q5 WeakPolarHBondContact OG-CG 3.36Å; S2-Q5 PolarHBondContact OG-N 2.98Å; Q5-N8 PolarHBondContact O-N 3.32Å; Q5-C9 WeakPolarHBondContact O-CB 3.41Å; Q5-C9 PolarHBondContact O-N 3.19Å
6	A	92.5	Very high	90	Very high	41 Å²	41	86 Å²	86	34%	0.339	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-46.3	177	0	0	0	0	0	111.6	M1 S2 N3 E4 C9 F10	M1-A6 HydrophobicContact CE-CB 4.15Å; M1-A6 HydrophobicContact CG-CB 4.33Å; M1-A6 HydrophobicContact SD-CB 4.2Å; S2-A6 PolarHBondContact O-N 2.92Å; N3-A6 PolarHBondContact O-N 3.49Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-A6 PolarHBondContact O-N 3.48Å; A6-C9 PolarHBondContact O-N 3.32Å; A6-F10 WeakPolarHBondContact O-CB 3.5Å; A6-F10 PolarHBondContact O-N 3.14Å
7	S	91.9	Very high	90	Very high	32 Å²	32	84.9 Å²	84.9	22%	0.224	45%	0.453	C	S	.	.	H	α-helix	trans	-61.3	-44.7	174.6	-59.6	0	0	0	0	111.8	N3 E4 C9 F10 Y11	N3-S7 PolarHBondContact O-N 3.21Å; N3-S7 PolarHBondContact O-OG 3.49Å; N3-S7 VanDerWaalsContact O-OG 3.08Å; E4-S7 PolarHBondContact O-N 2.96Å; S7-C9 VanDerWaalsContact C-N 3.32Å; S7-C9 PolarHBondContact O-N 2.92Å; S7-F10 PolarHBondContact O-N 3.4Å; S7-Y11 WeakPolarHBondContact O-CD2 3.2Å; S7-Y11 PolarHBondContact O-N 3.49Å
8	N	92.9	Very high	90.1	Very high	45 Å²	45	85.6 Å²	85.6	24%	0.241	45%	0.448	C	S	.	.	H	α-helix	trans	-61.2	-41.5	177.1	-75.1	-19.6	0	0	0	111.7	E4 Q5 R12 W199	E4-N8 VanDerWaalsContact O-CB 3.28Å; E4-N8 WeakPolarHBondContact O-CB 3.41Å; E4-N8 PolarHBondContact O-N 3.39Å; E4-N8 PolarHBondContact O-ND2 3.08Å; Q5-N8 PolarHBondContact O-N 3.32Å; N8-R12 WeakPolarHBondContact O-CB 3.28Å; N8-R12 WeakPolarHBondContact O-CD 3.17Å; N8-R12 WeakPolarHBondContact O-CG 3.48Å; N8-R12 PolarHBondContact O-N 3.04Å; N8-R12 VanDerWaalsContact O-N 3.14Å; N8-W199 PolarHBondContact OD1-NE1 3.12Å
9	C	92.9	Very high	90.4	Very high	87 Å²	87	81.3 Å²	81.3	59%	0.588	43%	0.426	S	S	*	.	H	α-helix	trans	-62.6	-48.1	175.3	-172.5	0	0	0	0	111.2	Q5 A6 S7 G13	Q5-C9 WeakPolarHBondContact O-CB 3.41Å; Q5-C9 PolarHBondContact O-N 3.19Å; A6-C9 PolarHBondContact O-N 3.32Å; S7-C9 VanDerWaalsContact C-N 3.32Å; S7-C9 PolarHBondContact O-N 2.92Å; C9-G13 PolarHBondContact O-N 3.29Å
10	F	92.3	Very high	90.5	Very high	84 Å²	84	80.2 Å²	80.2	37%	0.368	42%	0.418	S	S	.	.	H	α-helix	trans	-65.3	-53.8	-176.7	-174.6	-94.6	0	0	0	112.4	A6 S7 G13 G14 P185	A6-F10 WeakPolarHBondContact O-CB 3.5Å; A6-F10 PolarHBondContact O-N 3.14Å; S7-F10 PolarHBondContact O-N 3.4Å; F10-G13 PolarHBondContact O-N 3.26Å; F10-G14 PolarHBondContact O-N 2.86Å; F10-P185 HydrophobicContact CD1-CB 3.95Å; F10-P185 HydrophobicContact CD2-CB 4.25Å; F10-P185 HydrophobicContact CD2-CG 4.18Å; F10-P185 HydrophobicContact CE1-CB 3.66Å; F10-P185 HydrophobicContact CE1-CG 4.3Å; F10-P185 HydrophobicContact CE2-CB 3.98Å; F10-P185 HydrophobicContact CE2-CG 3.73Å; F10-P185 HydrophobicContact CG-CB 4.23Å; F10-P185 HydrophobicContact CZ-CB 3.68Å; F10-P185 HydrophobicContact CZ-CG 3.8Å
11	Y	92.4	Very high	90.5	Very high	24 Å²	24	79.5 Å²	79.5	9%	0.094	43%	0.431	C	S	.	.	H	α-helix	trans	-73	-33.8	-174.7	-64.7	-60.9	0	0	0	113	S7 G14 K195 A196 W199	S7-Y11 WeakPolarHBondContact O-CD2 3.2Å; S7-Y11 PolarHBondContact O-N 3.49Å; Y11-G14 PolarHBondContact O-N 3.08Å; Y11-K195 HydrophobicContact CE1-CB 4.38Å; Y11-K195 WeakPolarHBondContact OH-CB 3.11Å; Y11-A196 HydrophobicContact CD1-CB 3.85Å; Y11-A196 HydrophobicContact CE1-CB 3.94Å; Y11-W199 HydrophobicContact CD2-CB 3.95Å; Y11-W199 AromaticContact CD2-CD1 3.73Å; Y11-W199 HydrophobicContact CD2-CD2 4.13Å; Y11-W199 AromaticContact CD2-CG 3.65Å; Y11-W199 HydrophobicContact CD2-CG 3.65Å; Y11-W199 HydrophobicContact CE2-CB 4.29Å; Y11-W199 HydrophobicContact CE2-CG 4.38Å; Y11-W199 HydrophobicContact CG-CB 4.43Å; Y11-W199 HydrophobicContact CG-CD2 4.26Å; Y11-W199 HydrophobicContact CG-CG 4.17Å
12	R	91.7	Very high	91	Very high	127 Å²	127	71.7 Å²	71.7	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-70.3	-35	172.1	-66.1	177.6	177.2	-166	-0.9	112	N8 G14 F15 F16 W199	N8-R12 WeakPolarHBondContact O-CB 3.28Å; N8-R12 WeakPolarHBondContact O-CD 3.17Å; N8-R12 WeakPolarHBondContact O-CG 3.48Å; N8-R12 PolarHBondContact O-N 3.04Å; N8-R12 VanDerWaalsContact O-N 3.14Å; R12-G14 PolarHBondContact O-N 2.91Å; R12-F15 HydrophobicContact CB-CD2 4.4Å; R12-F15 HydrophobicContact CG-CE2 4.45Å; R12-F15 WeakPolarHBondContact O-CB 3.12Å; R12-F15 WeakPolarHBondContact O-CD2 3.16Å; R12-F15 PolarHBondContact O-N 2.83Å; R12-F16 VanDerWaalsContact O-CD2 3.31Å; R12-F16 WeakPolarHBondContact O-CD2 3.43Å; R12-F16 WeakPolarHBondContact O-CE2 3.39Å; R12-W199 HydrophobicContact CG-CH2 3.8Å; R12-W199 HydrophobicContact CG-CZ2 4Å
13	G	88.5	Confident	90.8	Very high	33 Å²	33	71 Å²	71	34%	0.34	39%	0.388	S	S	.	.	H	α-helix	trans	-56.8	-31.1	174.6	0	0	0	0	0	112.7	C9 F10 F15 F16 N17	C9-G13 PolarHBondContact O-N 3.29Å; F10-G13 PolarHBondContact O-N 3.26Å; G13-F15 PolarHBondContact O-N 3.26Å; G13-F15 VanDerWaalsContact O-N 3.17Å; G13-F16 PolarHBondContact O-N 2.85Å; G13-F16 VanDerWaalsContact O-N 3.12Å; G13-N17 PolarHBondContact O-ND2 3.42Å
14	G	86.8	Confident	90.9	Very high	46 Å²	46	69.4 Å²	69.4	47%	0.474	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-56	-28.4	174.1	0	0	0	0	0	114.4	F10 Y11 R12 F16	F10-G14 PolarHBondContact O-N 2.86Å; Y11-G14 PolarHBondContact O-N 3.08Å; R12-G14 PolarHBondContact O-N 2.91Å; G14-F16 VanDerWaalsContact C-N 3.26Å; G14-F16 PolarHBondContact O-N 2.89Å
15	F	88	Confident	91.1	Very high	122 Å²	122	65.2 Å²	65.2	54%	0.535	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-74.8	-11.7	179.8	-57.3	-44	0	0	0	114.7	R12 G13 W199 F200	R12-F15 HydrophobicContact CB-CD2 4.4Å; R12-F15 HydrophobicContact CG-CE2 4.45Å; R12-F15 WeakPolarHBondContact O-CB 3.12Å; R12-F15 WeakPolarHBondContact O-CD2 3.16Å; R12-F15 PolarHBondContact O-N 2.83Å; G13-F15 PolarHBondContact O-N 3.26Å; G13-F15 VanDerWaalsContact O-N 3.17Å; F15-W199 HydrophobicContact CZ-CZ3 4.49Å; F15-F200 HydrophobicContact CE1-CE1 4.39Å; F15-F200 AromaticContact CE1-CZ 3.81Å; F15-F200 HydrophobicContact CE1-CZ 3.81Å; F15-F200 AromaticContact CZ-CE1 3.72Å; F15-F200 HydrophobicContact CZ-CE1 3.72Å; F15-F200 AromaticContact CZ-CZ 3.52Å; F15-F200 HydrophobicContact CZ-CZ 3.52Å
16	F	86.5	Confident	91.2	Very high	155 Å²	155	66 Å²	66	68%	0.68	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-103.3	18.5	-174.4	-61.8	-84	0	0	0	113	R12 G13 G14	R12-F16 VanDerWaalsContact O-CD2 3.31Å; R12-F16 WeakPolarHBondContact O-CD2 3.43Å; R12-F16 WeakPolarHBondContact O-CE2 3.39Å; G13-F16 PolarHBondContact O-N 2.85Å; G13-F16 VanDerWaalsContact O-N 3.12Å; G14-F16 VanDerWaalsContact C-N 3.26Å; G14-F16 PolarHBondContact O-N 2.89Å
17	N	89.3	Confident	91.4	Very high	68 Å²	68	65.6 Å²	65.6	36%	0.364	36%	0.364	S	S	.	.			trans	-109.9	128.7	176.4	-60.5	-69.6	0	0	0	110.5	G13 P23	G13-N17 PolarHBondContact O-ND2 3.42Å; N17-P23 WeakPolarHBondContact OD1-CD 3.18Å
18	W	92.4	Very high	91.6	Very high	96 Å²	96	64.4 Å²	64.4	36%	0.364	36%	0.355	S	S	.	.			trans	-87.5	-35.8	178.7	-51	117.7	0	0	0	112.5	Y35 P37 G79 M113	W18-Y35 PolarHBondContact NE1-O 3.43Å; W18-Y35 VanDerWaalsContact NE1-O 3.16Å; W18-P37 HydrophobicContact CD2-CG 3.85Å; W18-P37 HydrophobicContact CE3-CG 4.1Å; W18-P37 HydrophobicContact CG-CG 4.29Å; W18-P37 HydrophobicContact CH2-CG 4.27Å; W18-P37 HydrophobicContact CZ2-CG 4.08Å; W18-P37 HydrophobicContact CZ3-CG 4.29Å; W18-G79 PolarHBondContact O-N 2.94Å; W18-M113 HydrophobicContact CB-CE 4.16Å; W18-M113 HydrophobicContact CD2-CE 4.23Å; W18-M113 HydrophobicContact CE3-CE 3.38Å; W18-M113 HydrophobicContact CZ3-CE 4.08Å
19	F	95.1	Very high	91.7	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.018	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-128.9	157	-165.2	-53.9	-52.5	0	0	0	112	G21 G22 L28 D36 P37 D39 G40 F76 G77 R78 M113	F19-G21 PolarHBondContact O-N 3.3Å; F19-G22 WeakPolarHBondContact O-CA 3.42Å; F19-G22 PolarHBondContact O-N 2.97Å; F19-L28 HydrophobicContact CB-CD1 4.33Å; F19-L28 HydrophobicContact CD2-CD1 3.67Å; F19-L28 HydrophobicContact CE2-CD1 4.36Å; F19-L28 HydrophobicContact CG-CD1 4.27Å; F19-D36 WeakPolarHBondContact CE2-O 3.36Å; F19-P37 WeakPolarHBondContact CZ-O 3.42Å; F19-D39 HydrophobicContact CE2-CB 4.12Å; F19-G40 VanDerWaalsContact CZ-N 3.29Å; F19-F76 HydrophobicContact CB-CD2 4.35Å; F19-F76 HydrophobicContact CB-CE2 3.76Å; F19-F76 AromaticContact CD1-CE2 3.45Å; F19-F76 HydrophobicContact CD1-CE2 3.45Å; F19-F76 VanDerWaalsContact CD1-CE2 3.45Å; F19-F76 HydrophobicContact CD1-CZ 4.07Å; F19-F76 HydrophobicContact CE1-CE2 4.19Å; F19-F76 HydrophobicContact CE1-CZ 4.43Å; F19-F76 AromaticContact CG-CE2 3.75Å; F19-F76 HydrophobicContact CG-CE2 3.75Å; F19-F76 HydrophobicContact CG-CZ 4.39Å; F19-G77 WeakPolarHBondContact CA-O 3.49Å; F19-R78 HydrophobicContact CD1-CG 3.83Å; F19-R78 HydrophobicContact CE1-CG 4.04Å; F19-M113 HydrophobicContact CE1-CB 4.47Å; F19-M113 HydrophobicContact CE1-CG 4.02Å
20	E	93.4	Very high	91.7	Very high	59 Å²	59	63.8 Å²	63.8	28%	0.276	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	133.5	179.4	-164.9	-175.9	154.6	0	0	111.5	G22 S25 F27 Y49 G77	E20-G22 PolarHBondContact O-N 2.9Å; E20-S25 WeakPolarHBondContact O-CB 3.48Å; E20-S25 PolarHBondContact O-OG 3.44Å; E20-F27 HydrophobicContact CB-CD2 4.1Å; E20-F27 HydrophobicContact CB-CE2 3.77Å; E20-F27 HydrophobicContact CG-CE2 3.83Å; E20-F27 WeakPolarHBondContact O-CD2 3.43Å; E20-Y49 PolarHBondContact OE1-OH 3.49Å; E20-Y49 WeakPolarHBondContact OE2-CE2 3.31Å; E20-Y49 PolarHBondContact OE2-OH 2.93Å; E20-G77 PolarHBondContact N-O 3.43Å; E20-G77 PolarHBondContact OE2-N 3.23Å
21	G	89.7	Confident	91.8	Very high	67 Å²	67	64 Å²	64	69%	0.691	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-6.2	-171.9	0	0	0	0	0	114	F19	F19-G21 PolarHBondContact O-N 3.3Å
22	G	90	Very high	91.8	Very high	8 Å²	8	64.2 Å²	64.2	8%	0.082	37%	0.372	C	S	.	.			trans	68.4	-162	-179	0	0	0	0	0	113	F19 E20 S25	F19-G22 WeakPolarHBondContact O-CA 3.42Å; F19-G22 PolarHBondContact O-N 2.97Å; E20-G22 PolarHBondContact O-N 2.9Å; G22-S25 VanDerWaalsContact O-CB 3.32Å; G22-S25 WeakPolarHBondContact O-CB 3.45Å; G22-S25 PolarHBondContact O-N 3.14Å
23	P	89.5	Confident	91.8	Very high	41 Å²	41	59.4 Å²	59.4	27%	0.266	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	146.8	178.2	-22.5	32.8	0	0	0	112.5	N17 S25 P33 Y35	N17-P23 WeakPolarHBondContact OD1-CD 3.18Å; P23-S25 PolarHBondContact O-N 3.01Å; P23-P33 CarbonylContact C-O 3.57Å; P23-P33 WeakPolarHBondContact CA-O 3.32Å; P23-Y35 HydrophobicContact CB-CD1 3.73Å; P23-Y35 HydrophobicContact CB-CE1 3.28Å; P23-Y35 HydrophobicContact CG-CD1 3.83Å; P23-Y35 HydrophobicContact CG-CE1 3.69Å
24	T	90	Very high	92.1	Very high	104 Å²	104	58 Å²	58	64%	0.638	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	18	-177.8	69.6	0	0	0	0	114.7	P33	T24-P33 HydrophobicContact CG2-CB 4.14Å; T24-P33 PolarHBondContact N-O 2.87Å
25	S	93.6	Very high	92.3	Very high	15 Å²	15	63.2 Å²	63.2	11%	0.105	35%	0.349	C	S	.	.			trans	-54.3	143.5	171.7	176.6	0	0	0	0	111.7	E20 G22 P23 F27 L28	E20-S25 WeakPolarHBondContact O-CB 3.48Å; E20-S25 PolarHBondContact O-OG 3.44Å; G22-S25 VanDerWaalsContact O-CB 3.32Å; G22-S25 WeakPolarHBondContact O-CB 3.45Å; G22-S25 PolarHBondContact O-N 3.14Å; P23-S25 PolarHBondContact O-N 3.01Å; S25-F27 PolarHBondContact O-N 3.22Å; S25-F27 WeakPolarHBondContact OG-CD2 3.46Å; S25-F27 WeakPolarHBondContact OG-CG 3.33Å; S25-F27 PolarHBondContact OG-N 3.04Å; S25-L28 PolarHBondContact O-N 3.18Å
26	L	95.3	Very high	92.6	Very high	128 Å²	128	60.1 Å²	60.1	67%	0.67	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-12.6	175.4	-65.3	175.6	0	0	0	113	L28 N44	L26-L28 VanDerWaalsContact C-N 3.3Å; L26-N44 WeakPolarHBondContact O-CB 3.31Å; L26-N44 PolarHBondContact O-ND2 2.77Å
27	F	96.5	Very high	93	Very high	33 Å²	33	54 Å²	54	15%	0.145	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-26.7	175.4	-52.3	-26.4	0	0	0	112.2	E20 S25 C43 N44 Q46 Y49 F76	E20-F27 HydrophobicContact CB-CD2 4.1Å; E20-F27 HydrophobicContact CB-CE2 3.77Å; E20-F27 HydrophobicContact CG-CE2 3.83Å; E20-F27 WeakPolarHBondContact O-CD2 3.43Å; S25-F27 PolarHBondContact O-N 3.22Å; S25-F27 WeakPolarHBondContact OG-CD2 3.46Å; S25-F27 WeakPolarHBondContact OG-CG 3.33Å; S25-F27 PolarHBondContact OG-N 3.04Å; F27-C43 CarbonylContact O-C 3.52Å; F27-C43 VanDerWaalsContact O-CA 3.22Å; F27-C43 WeakPolarHBondContact O-CA 3.1Å; F27-C43 WeakPolarHBondContact O-CB 3.43Å; F27-N44 PolarHBondContact O-N 2.84Å; F27-Q46 HydrophobicContact CD1-CB 3.76Å; F27-Q46 HydrophobicContact CE1-CB 4.11Å; F27-Y49 HydrophobicContact CE1-CE1 4.23Å; F27-Y49 HydrophobicContact CZ-CE1 4.21Å; F27-Y49 WeakPolarHBondContact CZ-OH 3.28Å; F27-F76 HydrophobicContact CB-CD1 4.32Å; F27-F76 HydrophobicContact CB-CG 4.34Å; F27-F76 HydrophobicContact CD2-CB 4.05Å; F27-F76 HydrophobicContact CD2-CG 4.39Å; F27-F76 HydrophobicContact CG-CB 4.42Å
28	L	96.5	Very high	93.3	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	32%	0.323	C	S	.	.	S	Bend	trans	-104.7	149	-171.9	-63.1	172.8	0	0	0	111.6	F19 S25 L26 S32 G34 N44 F76	F19-L28 HydrophobicContact CB-CD1 4.33Å; F19-L28 HydrophobicContact CD2-CD1 3.67Å; F19-L28 HydrophobicContact CE2-CD1 4.36Å; F19-L28 HydrophobicContact CG-CD1 4.27Å; S25-L28 PolarHBondContact O-N 3.18Å; L26-L28 VanDerWaalsContact C-N 3.3Å; L28-S32 WeakPolarHBondContact CB-O 3.39Å; L28-G34 VanDerWaalsContact CD1-CA 3.48Å; L28-N44 PolarHBondContact O-ND2 3.32Å; L28-F76 HydrophobicContact CD2-CE1 4.09Å; L28-F76 HydrophobicContact CD2-CE2 4.36Å; L28-F76 HydrophobicContact CD2-CZ 3.65Å
29	P	95.8	Very high	93.5	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	31%	0.31	C	S	.	.			trans	-56.4	146.8	168.6	-21.1	31.4	0	0	0	111.5	S31 S32 V42 Y70	P29-S31 PolarHBondContact O-N 2.88Å; P29-S32 CarbonylContact O-C 3.46Å; P29-S32 PolarHBondContact O-N 3.44Å; P29-V42 HydrophobicContact CG-CG2 3.72Å; P29-Y70 HydrophobicContact CB-CD1 4.26Å; P29-Y70 HydrophobicContact CB-CE1 3.61Å; P29-Y70 HydrophobicContact CB-CE2 4.35Å; P29-Y70 HydrophobicContact CG-CD1 3.75Å; P29-Y70 HydrophobicContact CG-CD2 4.48Å; P29-Y70 HydrophobicContact CG-CE1 3.64Å; P29-Y70 HydrophobicContact CG-CE2 4.36Å; P29-Y70 HydrophobicContact CG-CG 4.18Å
30	S	93.6	Very high	93.6	Very high	117 Å²	117	53 Å²	53	82%	0.818	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.6	173.6	54.8	0	0	0	0	112.9	S32	S30-S32 VanDerWaalsContact C-N 3.29Å
31	S	93.2	Very high	93.7	Very high	88 Å²	88	54.4 Å²	54.4	62%	0.615	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.7	174.3	58.1	0	0	0	0	114.1	P29	P29-S31 PolarHBondContact O-N 2.88Å
32	S	93.5	Very high	94.1	Very high	29 Å²	29	52.3 Å²	52.3	20%	0.203	29%	0.29	C	S	.	.	S	Bend	trans	-133.9	67	-176.7	-62.1	0	0	0	0	108.6	L28 P29 S30 G34	L28-S32 WeakPolarHBondContact CB-O 3.39Å; P29-S32 CarbonylContact O-C 3.46Å; P29-S32 PolarHBondContact O-N 3.44Å; S30-S32 VanDerWaalsContact C-N 3.29Å; S32-G34 PolarHBondContact O-N 3.26Å
33	P	90.9	Very high	94.5	Very high	27 Å²	27	52 Å²	52	18%	0.175	29%	0.286	C	S	.	.			trans	-70.7	-3.9	-163.7	30.2	-39.3	0	0	0	114.5	P23 T24 Y35	P23-P33 CarbonylContact C-O 3.57Å; P23-P33 WeakPolarHBondContact CA-O 3.32Å; T24-P33 HydrophobicContact CG2-CB 4.14Å; T24-P33 PolarHBondContact N-O 2.87Å; P33-Y35 HydrophobicContact CB-CD2 4.07Å; P33-Y35 HydrophobicContact CB-CE2 3.79Å; P33-Y35 HydrophobicContact CG-CD2 3.29Å; P33-Y35 HydrophobicContact CG-CE2 3.37Å; P33-Y35 HydrophobicContact CG-CG 4.35Å
34	G	93.6	Very high	94.8	Very high	2 Å²	2	52 Å²	52	2%	0.021	28%	0.284	C	S	.	.	S	Bend	trans	95	23.2	177.6	0	0	0	0	0	114.3	L28 S32 D36 D39	L28-G34 VanDerWaalsContact CD1-CA 3.48Å; S32-G34 PolarHBondContact O-N 3.26Å; G34-D36 VanDerWaalsContact C-N 3.34Å; G34-D39 WeakPolarHBondContact CA-OD2 3.48Å; G34-D39 PolarHBondContact N-OD2 3.42Å
35	Y	92.6	Very high	95.2	Very high	156 Å²	156	49.7 Å²	49.7	61%	0.612	28%	0.275	S	S	*	.	S	Bend	trans	-81.8	-19.9	172.5	-63.5	-59.5	0	0	0	111.9	W18 P23 P33 D39	W18-Y35 PolarHBondContact NE1-O 3.43Å; W18-Y35 VanDerWaalsContact NE1-O 3.16Å; P23-Y35 HydrophobicContact CB-CD1 3.73Å; P23-Y35 HydrophobicContact CB-CE1 3.28Å; P23-Y35 HydrophobicContact CG-CD1 3.83Å; P23-Y35 HydrophobicContact CG-CE1 3.69Å; P33-Y35 HydrophobicContact CB-CD2 4.07Å; P33-Y35 HydrophobicContact CB-CE2 3.79Å; P33-Y35 HydrophobicContact CG-CD2 3.29Å; P33-Y35 HydrophobicContact CG-CE2 3.37Å; P33-Y35 HydrophobicContact CG-CG 4.35Å; Y35-D39 PolarHBondContact N-OD2 2.88Å
36	D	94.1	Very high	95.3	Very high	57 Å²	57	54.1 Å²	54.1	31%	0.305	29%	0.294	S	S	.	.	S	Bend	trans	-125.3	138.9	-178.7	-173	-48.2	0	0	0	110	F19 G34 K38 D39	F19-D36 WeakPolarHBondContact CE2-O 3.36Å; G34-D36 VanDerWaalsContact C-N 3.34Å; D36-K38 HydrophobicContact CB-CD 4.46Å; D36-K38 HydrophobicContact CB-CG 4.13Å; D36-K38 PolarHBondContact O-N 3.34Å; D36-K38 VanDerWaalsContact OD1-CG 3.29Å; D36-K38 WeakPolarHBondContact OD1-CG 3.5Å; D36-K38 PolarHBondContact OD1-N 3.31Å; D36-K38 WeakPolarHBondContact OD2-CE 3.37Å; D36-K38 IonicContact OD2-NZ 3.93Å; D36-K38 PolarHBondContact OD2-NZ 3.21Å; D36-D39 PolarHBondContact N-OD2 3.36Å; D36-D39 VanDerWaalsContact O-CB 3.24Å; D36-D39 WeakPolarHBondContact O-CB 3.32Å; D36-D39 PolarHBondContact O-N 3.17Å
37	P	95	Very high	95.3	Very high	28 Å²	28	48 Å²	48	18%	0.182	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-49.7	-25.4	173.1	-30.7	37.6	0	0	0	115.4	W18 F19 D39 N110 M113 T114	W18-P37 HydrophobicContact CD2-CG 3.85Å; W18-P37 HydrophobicContact CE3-CG 4.1Å; W18-P37 HydrophobicContact CG-CG 4.29Å; W18-P37 HydrophobicContact CH2-CG 4.27Å; W18-P37 HydrophobicContact CZ2-CG 4.08Å; W18-P37 HydrophobicContact CZ3-CG 4.29Å; F19-P37 WeakPolarHBondContact CZ-O 3.42Å; P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 PolarHBondContact O-N 2.73Å; P37-N110 PolarHBondContact O-ND2 2.89Å; P37-N110 PolarHBondContact O-OD1 3.37Å; P37-M113 HydrophobicContact CB-CB 4.21Å; P37-T114 HydrophobicContact CB-CG2 4.15Å; P37-T114 WeakPolarHBondContact O-CG2 3.34Å
38	K	95.8	Very high	95.4	Very high	128 Å²	128	48.4 Å²	48.4	56%	0.557	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-71.7	-20.5	175.7	79.1	-163.1	177.5	-138.4	0	113.8	D36 G40 E41	D36-K38 HydrophobicContact CB-CD 4.46Å; D36-K38 HydrophobicContact CB-CG 4.13Å; D36-K38 PolarHBondContact O-N 3.34Å; D36-K38 VanDerWaalsContact OD1-CG 3.29Å; D36-K38 WeakPolarHBondContact OD1-CG 3.5Å; D36-K38 PolarHBondContact OD1-N 3.31Å; D36-K38 WeakPolarHBondContact OD2-CE 3.37Å; D36-K38 IonicContact OD2-NZ 3.93Å; D36-K38 PolarHBondContact OD2-NZ 3.21Å; K38-G40 PolarHBondContact O-N 3.3Å; K38-E41 WeakPolarHBondContact O-CB 3.47Å; K38-E41 PolarHBondContact O-N 3.12Å
39	D	96.1	Very high	95.4	Very high	18 Å²	18	50.6 Å²	50.6	10%	0.096	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.9	-21.4	-175.2	-70.7	-13.8	0	0	0	112.3	F19 G34 Y35 D36 P37 E41	F19-D39 HydrophobicContact CE2-CB 4.12Å; G34-D39 WeakPolarHBondContact CA-OD2 3.48Å; G34-D39 PolarHBondContact N-OD2 3.42Å; Y35-D39 PolarHBondContact N-OD2 2.88Å; D36-D39 PolarHBondContact N-OD2 3.36Å; D36-D39 VanDerWaalsContact O-CB 3.24Å; D36-D39 WeakPolarHBondContact O-CB 3.32Å; D36-D39 PolarHBondContact O-N 3.17Å; P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 PolarHBondContact O-N 2.73Å; D39-E41 VanDerWaalsContact C-N 3.26Å; D39-E41 PolarHBondContact O-N 3.16Å
40	G	96.3	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-82.8	11.2	177.9	0	0	0	0	0	115.4	F19 K38 V42 R78	F19-G40 VanDerWaalsContact CZ-N 3.29Å; K38-G40 PolarHBondContact O-N 3.3Å; G40-V42 VanDerWaalsContact C-N 3.3Å; G40-R78 PolarHBondContact O-NH2 3.24Å
41	E	97.3	Very high	95.7	Very high	88 Å²	88	49.4 Å²	49.4	41%	0.411	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.9	-34.1	179.1	-172.7	60	-157.7	0	0	112.2	K38 D39 N110	K38-E41 WeakPolarHBondContact O-CB 3.47Å; K38-E41 PolarHBondContact O-N 3.12Å; D39-E41 VanDerWaalsContact C-N 3.26Å; D39-E41 PolarHBondContact O-N 3.16Å; E41-N110 PolarHBondContact N-ND2 3.41Å; E41-N110 WeakPolarHBondContact OE2-CB 3.35Å
42	V	97.5	Very high	95.9	Very high	24 Å²	24	48.8 Å²	48.8	15%	0.145	26%	0.258	C	S	.	.	S	Bend	trans	-130.6	161	175.2	-59.5	0	0	0	0	110.8	P29 G40 A67 Y70 Y71 K72	P29-V42 HydrophobicContact CG-CG2 3.72Å; G40-V42 VanDerWaalsContact C-N 3.3Å; V42-A67 HydrophobicContact CG1-CB 4.27Å; V42-Y70 HydrophobicContact CG2-CD2 4.3Å; V42-Y70 HydrophobicContact CG2-CG 4.16Å; V42-Y71 WeakPolarHBondContact CA-O 3.2Å; V42-Y71 WeakPolarHBondContact CB-O 3.42Å; V42-K72 HydrophobicContact CG1-CG 4.34Å
43	C	97.6	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-143.6	160.6	-179.2	59.5	0	0	0	0	112.6	F27 Y71 C74 F76	F27-C43 CarbonylContact O-C 3.52Å; F27-C43 VanDerWaalsContact O-CA 3.22Å; F27-C43 WeakPolarHBondContact O-CA 3.1Å; F27-C43 WeakPolarHBondContact O-CB 3.43Å; C43-Y71 PolarHBondContact N-O 2.72Å; C43-Y71 VanDerWaalsContact N-O 3.07Å; C43-Y71 WeakPolarHBondContact O-CD2 3.31Å; C43-Y71 PolarHBondContact O-N 2.89Å; C43-C74 VanDerWaalsContact CA-SG 3.6Å; C43-C74 HydrophobicContact CB-CB 3.72Å; C43-C74 WeakPolarHBondContact CB-SG 3.37Å; C43-C74 PolarHBondContact N-SG 3.41Å; C43-C74 VanDerWaalsContact SG-CA 3.51Å; C43-C74 WeakPolarHBondContact SG-CB 3.44Å; C43-C74 CovalentContact SG-SG 2.03Å; C43-C74 PolarHBondContact SG-SG 3.16Å; C43-F76 HydrophobicContact CB-CD1 4.11Å; C43-F76 HydrophobicContact CB-CE1 3.87Å
44	N	97.4	Very high	96.2	Very high	42 Å²	42	51.3 Å²	51.3	23%	0.225	28%	0.28	C	S	.	.			trans	-71.4	169.4	163.2	-58.2	-40	0	0	0	110.3	L26 F27 L28 Q46 G47 Y70	L26-N44 WeakPolarHBondContact O-CB 3.31Å; L26-N44 PolarHBondContact O-ND2 2.77Å; F27-N44 PolarHBondContact O-N 2.84Å; L28-N44 PolarHBondContact O-ND2 3.32Å; N44-Q46 PolarHBondContact O-N 3.43Å; N44-Q46 VanDerWaalsContact O-N 3.12Å; N44-G47 PolarHBondContact O-N 2.79Å; N44-Y70 WeakPolarHBondContact OD1-CE1 3.18Å
45	A	96.7	Very high	96.4	Very high	55 Å²	55	53.1 Å²	53.1	46%	0.455	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-53.1	-36.5	179.2	0	0	0	0	0	113.1	G47 R48 Y71	A45-G47 VanDerWaalsContact C-N 3.25Å; A45-G47 PolarHBondContact O-N 2.89Å; A45-R48 VanDerWaalsContact O-CB 3.31Å; A45-R48 WeakPolarHBondContact O-CB 3.27Å; A45-R48 WeakPolarHBondContact O-CG 3.3Å; A45-R48 PolarHBondContact O-N 3.34Å; A45-Y71 HydrophobicContact CB-CE2 3.87Å
46	Q	95.8	Very high	96.6	Very high	108 Å²	108	46.4 Å²	46.4	51%	0.505	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.3	-26.1	178.8	-63.2	89.7	-36.9	0	0	112.9	F27 N44 R48 Y49	F27-Q46 HydrophobicContact CD1-CB 3.76Å; F27-Q46 HydrophobicContact CE1-CB 4.11Å; N44-Q46 PolarHBondContact O-N 3.43Å; N44-Q46 VanDerWaalsContact O-N 3.12Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-Y49 WeakPolarHBondContact O-CD1 3.09Å; Q46-Y49 WeakPolarHBondContact O-CE1 3.43Å
47	G	96.9	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-86.4	1.5	177.7	0	0	0	0	0	114.3	N44 A45 Y75 F76	N44-G47 PolarHBondContact O-N 2.79Å; A45-G47 VanDerWaalsContact C-N 3.25Å; A45-G47 PolarHBondContact O-N 2.89Å; G47-Y75 PolarHBondContact O-N 3.48Å; G47-F76 VanDerWaalsContact O-CD1 3.3Å; G47-F76 WeakPolarHBondContact O-CD1 3.45Å; G47-F76 PolarHBondContact O-N 2.78Å
48	R	97.4	Very high	96.8	Very high	42 Å²	42	49.1 Å²	49.1	16%	0.158	27%	0.27	C	S	.	.			trans	-61.1	-52	-175.6	-76.1	-74.3	-65.2	178.3	-3.9	112.3	A45 Q46 C50 H63 Y71 G73 Y75	A45-R48 VanDerWaalsContact O-CB 3.31Å; A45-R48 WeakPolarHBondContact O-CB 3.27Å; A45-R48 WeakPolarHBondContact O-CG 3.3Å; A45-R48 PolarHBondContact O-N 3.34Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; R48-C50 HydrophobicContact CB-CB 4.45Å; R48-C50 PolarHBondContact O-N 2.7Å; R48-C50 VanDerWaalsContact O-N 3.08Å; R48-H63 PolarHBondContact NH1-O 3.35Å; R48-H63 PolarHBondContact NH2-O 3.21Å; R48-Y71 VanDerWaalsContact CD-CG 3.4Å; R48-Y71 HydrophobicContact CG-CD2 4.14Å; R48-Y71 HydrophobicContact CG-CE2 4.46Å; R48-Y71 HydrophobicContact CG-CG 4.2Å; R48-G73 WeakPolarHBondContact CD-O 3.27Å; R48-G73 PolarHBondContact NH1-O 2.92Å; R48-Y75 WeakPolarHBondContact O-CB 3.33Å; R48-Y75 WeakPolarHBondContact O-CD2 3.43Å; R48-Y75 PolarHBondContact O-N 3.42Å
49	Y	97.7	Very high	96.9	Very high	53 Å²	53	44 Å²	44	21%	0.208	25%	0.248	C	C	.	.			trans	47.4	40.3	-176.7	-75.5	33.5	0	0	0	111.1	E20 F27 Q46 Y75 F76 Y85	E20-Y49 PolarHBondContact OE1-OH 3.49Å; E20-Y49 WeakPolarHBondContact OE2-CE2 3.31Å; E20-Y49 PolarHBondContact OE2-OH 2.93Å; F27-Y49 HydrophobicContact CE1-CE1 4.23Å; F27-Y49 HydrophobicContact CZ-CE1 4.21Å; F27-Y49 WeakPolarHBondContact CZ-OH 3.28Å; Q46-Y49 WeakPolarHBondContact O-CD1 3.09Å; Q46-Y49 WeakPolarHBondContact O-CE1 3.43Å; Y49-Y75 WeakPolarHBondContact CB-O 3.3Å; Y49-F76 HydrophobicContact CD1-CB 4.44Å; Y49-F76 HydrophobicContact CD2-CB 4.41Å; Y49-F76 HydrophobicContact CG-CB 4.37Å; Y49-Y85 HydrophobicContact CD2-CE2 4.35Å; Y49-Y85 VanDerWaalsContact O-CA 3.28Å; Y49-Y85 WeakPolarHBondContact O-CA 3.34Å; Y49-Y85 VanDerWaalsContact O-CD1 3.25Å; Y49-Y85 WeakPolarHBondContact O-CD1 3.43Å
50	C	97.5	Very high	97	Very high	46 Å²	46	43.5 Å²	43.5	31%	0.311	25%	0.245	S	C	.	.			trans	-97.3	117.8	179.9	158.8	0	0	0	0	108	R48 C62 Y75	R48-C50 HydrophobicContact CB-CB 4.45Å; R48-C50 PolarHBondContact O-N 2.7Å; R48-C50 VanDerWaalsContact O-N 3.08Å; C50-C62 VanDerWaalsContact CA-SG 3.56Å; C50-C62 HydrophobicContact CB-CB 3.83Å; C50-C62 WeakPolarHBondContact CB-SG 3.19Å; C50-C62 WeakPolarHBondContact SG-CB 3.4Å; C50-C62 CovalentContact SG-SG 2Å; C50-C62 PolarHBondContact SG-SG 2.87Å; C50-Y75 HydrophobicContact CB-CD2 4.28Å; C50-Y75 HydrophobicContact CB-CE2 4.43Å
51	S	97.2	Very high	97.1	Very high	47 Å²	47	46.4 Å²	46.4	33%	0.329	26%	0.264	S	S	.	.			trans	-102.9	137.5	168.5	-166.1	0	0	0	0	109.5	L56 N86	S51-L56 WeakPolarHBondContact OG-CD1 3.34Å; S51-N86 PolarHBondContact N-OD1 2.63Å; S51-N86 PolarHBondContact O-ND2 3.01Å; S51-N86 PolarHBondContact O-OD1 2.93Å
52	S	96.7	Very high	97.1	Very high	75 Å²	75	42.8 Å²	42.8	52%	0.524	25%	0.248	S	C	.	.			trans	-135.2	136.1	-173.7	175.3	0	0	0	0	109.9	D57	S52-D57 WeakPolarHBondContact CB-OD1 3.49Å; S52-D57 VanDerWaalsContact OG-CG 3.24Å; S52-D57 PolarHBondContact OG-OD1 3.38Å; S52-D57 PolarHBondContact OG-OD2 3.21Å
53	S	96.1	Very high	97.1	Very high	51 Å²	51	43.5 Å²	43.5	36%	0.357	25%	0.25	S	C	.	.			trans	-160.3	167.1	174.6	70.6	0	0	0	0	106.7	E55 L56 D57	S53-E55 PolarHBondContact O-N 3.18Å; S53-E55 PolarHBondContact OG-N 2.82Å; S53-L56 PolarHBondContact O-N 3.12Å; S53-L56 WeakPolarHBondContact OG-CB 3.46Å; S53-L56 WeakPolarHBondContact OG-CG 3.32Å; S53-L56 PolarHBondContact OG-N 3.28Å; S53-D57 VanDerWaalsContact O-CB 3.26Å; S53-D57 WeakPolarHBondContact O-CB 3.01Å; S53-D57 PolarHBondContact O-N 3.16Å
54	A	96.1	Very high	97.1	Very high	57 Å²	57	51.8 Å²	51.8	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-55.5	-36.8	176.9	0	0	0	0	0	112.3	Y58	A54-Y58 PolarHBondContact O-N 3.5Å
55	E	96.2	Very high	97.1	Very high	41 Å²	41	53.7 Å²	53.7	19%	0.192	29%	0.293	C	S	.	.	H	α-helix	trans	-71.3	-50.1	175.9	-167.8	-176.8	-161.5	0	0	112	S53 D57 Y58 F59 G254 M255 M289	S53-E55 PolarHBondContact O-N 3.18Å; S53-E55 PolarHBondContact OG-N 2.82Å; E55-D57 VanDerWaalsContact C-N 3.3Å; E55-D57 PolarHBondContact O-N 2.93Å; E55-Y58 WeakPolarHBondContact O-CB 3.07Å; E55-Y58 PolarHBondContact O-N 3.11Å; E55-F59 HydrophobicContact CG-CD2 3.95Å; E55-F59 HydrophobicContact CG-CE2 3.94Å; E55-F59 VanDerWaalsContact O-CD2 3.3Å; E55-F59 WeakPolarHBondContact O-CD2 3.31Å; E55-F59 PolarHBondContact O-N 3.47Å; E55-F59 VanDerWaalsContact O-N 3.12Å; E55-G254 WeakPolarHBondContact OE1-CA 3.1Å; E55-M255 HydrophobicContact CG-CB 4.32Å; E55-M255 HydrophobicContact CG-CG 3.81Å; E55-M255 PolarHBondContact OE1-N 2Å; E55-M289 HydrophobicContact CB-CG 4.1Å; E55-M289 HydrophobicContact CB-SD 4.23Å; E55-M289 HydrophobicContact CG-CG 4.44Å; E55-M289 HydrophobicContact CG-SD 4.08Å
56	L	97	Very high	97.1	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-34.6	-178.9	-72.5	176.6	0	0	0	112.8	S51 S53 Y58 Y60 F87 M255	S51-L56 WeakPolarHBondContact OG-CD1 3.34Å; S53-L56 PolarHBondContact O-N 3.12Å; S53-L56 WeakPolarHBondContact OG-CB 3.46Å; S53-L56 WeakPolarHBondContact OG-CG 3.32Å; S53-L56 PolarHBondContact OG-N 3.28Å; L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.16Å; L56-Y60 CarbonylContact O-C 3.53Å; L56-Y60 WeakPolarHBondContact O-CA 3.32Å; L56-Y60 PolarHBondContact O-N 2.69Å; L56-F87 HydrophobicContact CD1-CD1 4.46Å; L56-F87 HydrophobicContact CD2-CB 3.77Å; L56-F87 HydrophobicContact CD2-CD1 4.15Å; L56-F87 HydrophobicContact CD2-CG 4.3Å; L56-M255 HydrophobicContact CD2-CE 3.95Å; L56-M255 HydrophobicContact CD2-CG 4.31Å; L56-M255 HydrophobicContact CD2-SD 3.59Å; L56-M255 VanDerWaalsContact CD2-SD 3.59Å
57	D	96.9	Very high	97.1	Very high	71 Å²	71	51 Å²	51	38%	0.38	28%	0.282	S	S	.	.	H	α-helix	trans	-71.4	-27.1	178.5	-70.2	-6	0	0	0	111.9	S52 S53 E55 P61	S52-D57 WeakPolarHBondContact CB-OD1 3.49Å; S52-D57 VanDerWaalsContact OG-CG 3.24Å; S52-D57 PolarHBondContact OG-OD1 3.38Å; S52-D57 PolarHBondContact OG-OD2 3.21Å; S53-D57 VanDerWaalsContact O-CB 3.26Å; S53-D57 WeakPolarHBondContact O-CB 3.01Å; S53-D57 PolarHBondContact O-N 3.16Å; E55-D57 VanDerWaalsContact C-N 3.3Å; E55-D57 PolarHBondContact O-N 2.93Å; D57-P61 WeakPolarHBondContact O-CB 3.39Å; D57-P61 WeakPolarHBondContact O-CD 3.45Å
58	Y	97.1	Very high	97	Very high	71 Å²	71	58 Å²	58	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-72.6	-50.6	172.6	178.1	-93.8	0	0	0	111.5	A54 E55 L56 T282 D285 N286 M289	A54-Y58 PolarHBondContact O-N 3.5Å; E55-Y58 WeakPolarHBondContact O-CB 3.07Å; E55-Y58 PolarHBondContact O-N 3.11Å; L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.16Å; Y58-T282 HydrophobicContact CD1-CG2 4.36Å; Y58-T282 HydrophobicContact CE1-CG2 3.41Å; Y58-T282 VanDerWaalsContact CE1-CG2 3.41Å; Y58-D285 WeakPolarHBondContact CE2-OD2 3.39Å; Y58-D285 VanDerWaalsContact CZ-OD2 3.28Å; Y58-D285 PolarHBondContact OH-OD2 2.92Å; Y58-N286 HydrophobicContact CD2-CB 3.71Å; Y58-N286 HydrophobicContact CE2-CB 3.75Å; Y58-M289 WeakPolarHBondContact CB-SD 3.49Å; Y58-M289 HydrophobicContact CD1-CE 4.19Å; Y58-M289 HydrophobicContact CD1-SD 3.76Å; Y58-M289 HydrophobicContact CD2-SD 4.47Å; Y58-M289 HydrophobicContact CG-CE 4.45Å; Y58-M289 HydrophobicContact CG-SD 3.64Å
59	F	97.3	Very high	96.9	Very high	20 Å²	20	62.5 Å²	62.5	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-80.5	-49	-175.4	-73.3	-80.9	0	0	0	113.1	E55 M255 I256 T282 M289	E55-F59 HydrophobicContact CG-CD2 3.95Å; E55-F59 HydrophobicContact CG-CE2 3.94Å; E55-F59 VanDerWaalsContact O-CD2 3.3Å; E55-F59 WeakPolarHBondContact O-CD2 3.31Å; E55-F59 PolarHBondContact O-N 3.47Å; E55-F59 VanDerWaalsContact O-N 3.12Å; F59-M255 HydrophobicContact CB-CB 4.37Å; F59-M255 HydrophobicContact CB-CG 4.21Å; F59-M255 HydrophobicContact CD1-CB 4.21Å; F59-M255 HydrophobicContact CD2-CB 3.37Å; F59-M255 HydrophobicContact CD2-CG 3.57Å; F59-M255 HydrophobicContact CE1-CB 4.38Å; F59-M255 HydrophobicContact CE2-CB 3.6Å; F59-M255 HydrophobicContact CE2-CG 4.19Å; F59-M255 HydrophobicContact CG-CB 3.73Å; F59-M255 HydrophobicContact CG-CG 4.01Å; F59-M255 HydrophobicContact CZ-CB 4.1Å; F59-I256 HydrophobicContact CE1-CD1 4.25Å; F59-I256 HydrophobicContact CE1-CG1 3.96Å; F59-I256 HydrophobicContact CZ-CD1 3.78Å; F59-I256 HydrophobicContact CZ-CG1 3.64Å; F59-T282 HydrophobicContact CE1-CG2 4.15Å; F59-T282 HydrophobicContact CZ-CG2 3.76Å; F59-M289 HydrophobicContact CD2-SD 4.41Å; F59-M289 HydrophobicContact CE2-CE 4.02Å; F59-M289 HydrophobicContact CE2-SD 4Å
60	Y	98.2	Very high	96.9	Very high	8 Å²	8	61.9 Å²	61.9	3%	0.031	34%	0.34	C	S	.	.	S	Bend	trans	-139.1	57.9	-165	-54.2	-52.2	0	0	0	111.9	L56 N86 F87 Q91 D94 L106 M255	L56-Y60 CarbonylContact O-C 3.53Å; L56-Y60 WeakPolarHBondContact O-CA 3.32Å; L56-Y60 PolarHBondContact O-N 2.69Å; Y60-N86 PolarHBondContact O-ND2 3.18Å; Y60-F87 HydrophobicContact CD2-CB 3.89Å; Y60-Q91 HydrophobicContact CD2-CG 4.49Å; Y60-Q91 HydrophobicContact CE1-CG 4.5Å; Y60-Q91 HydrophobicContact CE2-CG 3.53Å; Y60-Q91 WeakPolarHBondContact OH-CG 3.26Å; Y60-D94 WeakPolarHBondContact CE1-OD2 3.39Å; Y60-D94 PolarHBondContact OH-OD2 3.2Å; Y60-L106 HydrophobicContact CD1-CD1 4.28Å; Y60-M255 HydrophobicContact CD2-SD 3.92Å; Y60-M255 HydrophobicContact CE2-SD 3.89Å
61	P	97.9	Very high	97	Very high	60 Å²	60	63.4 Å²	63.4	39%	0.39	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.8	143.4	-176	24.9	-34	0	0	0	111.6	D57	D57-P61 WeakPolarHBondContact O-CB 3.39Å; D57-P61 WeakPolarHBondContact O-CD 3.45Å
62	C	98.1	Very high	97	Very high	12 Å²	12	64 Å²	64	8%	0.081	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-70.8	136.1	174.6	-56.9	0	0	0	0	111.6	C50 K64 Y75	C50-C62 VanDerWaalsContact CA-SG 3.56Å; C50-C62 HydrophobicContact CB-CB 3.83Å; C50-C62 WeakPolarHBondContact CB-SG 3.19Å; C50-C62 WeakPolarHBondContact SG-CB 3.4Å; C50-C62 CovalentContact SG-SG 2Å; C50-C62 PolarHBondContact SG-SG 2.87Å; C62-K64 WeakPolarHBondContact O-CG 3.32Å; C62-K64 PolarHBondContact O-N 2.85Å; C62-Y75 HydrophobicContact CB-CE2 4.16Å
63	H	98	Very high	97	Very high	39 Å²	39	60.5 Å²	60.5	18%	0.181	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-67.9	128.4	171.1	-170	41.3	0	0	0	110.4	R48 E65 Y75 L106 K107	R48-H63 PolarHBondContact NH1-O 3.35Å; R48-H63 PolarHBondContact NH2-O 3.21Å; H63-E65 VanDerWaalsContact CE1-CB 3.47Å; H63-E65 WeakPolarHBondContact CE1-CB 3.43Å; H63-E65 IonicContact CE1-OE2 2.7Å; H63-E65 PolarHBondContact CE1-OE2 3.08Å; H63-E65 WeakPolarHBondContact NE2-CB 3.37Å; H63-E65 IonicContact NE2-OE2 3.51Å; H63-E65 PolarHBondContact NE2-OE2 3.46Å; H63-Y75 WeakPolarHBondContact CB-OH 3.2Å; H63-Y75 PolarHBondContact N-OH 3.23Å; H63-L106 WeakPolarHBondContact CB-O 3.3Å; H63-K107 PolarHBondContact CD2-O 2.66Å
64	K	96.8	Very high	97.1	Very high	174 Å²	174	58 Å²	58	76%	0.757	29%	0.294	S	S	*	.			trans	-101.8	-8.2	-170.2	-62.9	-177.3	-178.3	175.8	0	113.8	C62	C62-K64 WeakPolarHBondContact O-CG 3.32Å; C62-K64 PolarHBondContact O-N 2.85Å
65	E	97.8	Very high	97.2	Very high	82 Å²	82	55.3 Å²	55.3	38%	0.383	27%	0.272	S	S	.	.			trans	-65	143.1	-178.3	-164.8	-177.3	154.8	0	0	111.8	H63 K72	H63-E65 VanDerWaalsContact CE1-CB 3.47Å; H63-E65 WeakPolarHBondContact CE1-CB 3.43Å; H63-E65 IonicContact CE1-OE2 2.7Å; H63-E65 PolarHBondContact CE1-OE2 3.08Å; H63-E65 WeakPolarHBondContact NE2-CB 3.37Å; H63-E65 IonicContact NE2-OE2 3.51Å; H63-E65 PolarHBondContact NE2-OE2 3.46Å; E65-K72 HydrophobicContact CB-CB 4.42Å; E65-K72 HydrophobicContact CB-CD 4.32Å; E65-K72 HydrophobicContact CG-CD 3.98Å; E65-K72 PolarHBondContact O-N 3.18Å; E65-K72 WeakPolarHBondContact OE1-CD 3.48Å; E65-K72 WeakPolarHBondContact OE1-CE 3.49Å; E65-K72 IonicContact OE1-NZ 3.43Å; E65-K72 PolarHBondContact OE1-NZ 3.32Å
66	T	97.5	Very high	97.3	Very high	77 Å²	77	53.4 Å²	53.4	47%	0.472	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	161.2	176.1	57.3	0	0	0	0	110.8	Y70 Y71	T66-Y70 CarbonylContact C-O 3.56Å; T66-Y70 WeakPolarHBondContact CA-O 3.49Å; T66-Y70 WeakPolarHBondContact CB-O 3.46Å; T66-Y71 HydrophobicContact CG2-CD1 3.88Å; T66-Y71 HydrophobicContact CG2-CE1 4.2Å
67	A	95.7	Very high	97.3	Very high	31 Å²	31	52.7 Å²	52.7	26%	0.256	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	108.3	167.9	0	0	0	0	0	107	V42 Q69 Y70	V42-A67 HydrophobicContact CG1-CB 4.27Å; A67-Q69 PolarHBondContact O-N 2.92Å; A67-Y70 PolarHBondContact N-O 3.23Å; A67-Y70 WeakPolarHBondContact O-CB 3.48Å; A67-Y70 PolarHBondContact O-N 2.87Å
68	D	94.2	Very high	97.3	Very high	147 Å²	147	49.4 Å²	49.4	79%	0.786	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	-126.3	-167.1	-53.8	-46	0	0	0	111.3	Y70	D68-Y70 VanDerWaalsContact C-N 3.28Å; D68-Y70 PolarHBondContact O-N 2.95Å
69	Q	95.7	Very high	97	Very high	136 Å²	136	46.5 Å²	46.5	64%	0.636	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.8	174.6	66.6	-97.5	-7.2	0	0	114.7	A67	A67-Q69 PolarHBondContact O-N 2.92Å
70	Y	97.5	Very high	96.8	Very high	40 Å²	40	49.8 Å²	49.8	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	162.9	-175.2	-50.4	-67.2	0	0	0	112.2	P29 V42 N44 T66 A67 D68	P29-Y70 HydrophobicContact CB-CD1 4.26Å; P29-Y70 HydrophobicContact CB-CE1 3.61Å; P29-Y70 HydrophobicContact CB-CE2 4.35Å; P29-Y70 HydrophobicContact CG-CD1 3.75Å; P29-Y70 HydrophobicContact CG-CD2 4.48Å; P29-Y70 HydrophobicContact CG-CE1 3.64Å; P29-Y70 HydrophobicContact CG-CE2 4.36Å; P29-Y70 HydrophobicContact CG-CG 4.18Å; V42-Y70 HydrophobicContact CG2-CD2 4.3Å; V42-Y70 HydrophobicContact CG2-CG 4.16Å; N44-Y70 WeakPolarHBondContact OD1-CE1 3.18Å; T66-Y70 CarbonylContact C-O 3.56Å; T66-Y70 WeakPolarHBondContact CA-O 3.49Å; T66-Y70 WeakPolarHBondContact CB-O 3.46Å; A67-Y70 PolarHBondContact N-O 3.23Å; A67-Y70 WeakPolarHBondContact O-CB 3.48Å; A67-Y70 PolarHBondContact O-N 2.87Å; D68-Y70 VanDerWaalsContact C-N 3.28Å; D68-Y70 PolarHBondContact O-N 2.95Å
71	Y	98	Very high	96.6	Very high	77 Å²	77	51.1 Å²	51.1	30%	0.302	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	151.1	178.3	-58.3	-90.1	0	0	0	111.1	V42 C43 A45 R48 T66 C74	V42-Y71 WeakPolarHBondContact CA-O 3.2Å; V42-Y71 WeakPolarHBondContact CB-O 3.42Å; C43-Y71 PolarHBondContact N-O 2.72Å; C43-Y71 VanDerWaalsContact N-O 3.07Å; C43-Y71 WeakPolarHBondContact O-CD2 3.31Å; C43-Y71 PolarHBondContact O-N 2.89Å; A45-Y71 HydrophobicContact CB-CE2 3.87Å; R48-Y71 VanDerWaalsContact CD-CG 3.4Å; R48-Y71 HydrophobicContact CG-CD2 4.14Å; R48-Y71 HydrophobicContact CG-CE2 4.46Å; R48-Y71 HydrophobicContact CG-CG 4.2Å; T66-Y71 HydrophobicContact CG2-CD1 3.88Å; T66-Y71 HydrophobicContact CG2-CE1 4.2Å; Y71-C74 PolarHBondContact O-SG 2.8Å
72	K	97.9	Very high	96.5	Very high	61 Å²	61	50.8 Å²	50.8	27%	0.265	26%	0.264	S	S	.	.	S	Bend	trans	-97.3	-28.1	170.7	-62.9	-166.6	-178.9	179.1	0	113.4	V42 E65 C74	V42-K72 HydrophobicContact CG1-CG 4.34Å; E65-K72 HydrophobicContact CB-CB 4.42Å; E65-K72 HydrophobicContact CB-CD 4.32Å; E65-K72 HydrophobicContact CG-CD 3.98Å; E65-K72 PolarHBondContact O-N 3.18Å; E65-K72 WeakPolarHBondContact OE1-CD 3.48Å; E65-K72 WeakPolarHBondContact OE1-CE 3.49Å; E65-K72 IonicContact OE1-NZ 3.43Å; E65-K72 PolarHBondContact OE1-NZ 3.32Å; K72-C74 VanDerWaalsContact C-N 3.31Å; K72-C74 PolarHBondContact O-N 3.44Å
73	G	97.7	Very high	96.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.			trans	-77.1	79.4	171.4	0	0	0	0	0	111.4	R48	R48-G73 WeakPolarHBondContact CD-O 3.27Å; R48-G73 PolarHBondContact NH1-O 2.92Å
74	C	97.9	Very high	96.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.			trans	-113.5	101.4	-174.1	-63.3	0	0	0	0	110.7	C43 Y71 K72 F76 R78 P109	C43-C74 VanDerWaalsContact CA-SG 3.6Å; C43-C74 HydrophobicContact CB-CB 3.72Å; C43-C74 WeakPolarHBondContact CB-SG 3.37Å; C43-C74 PolarHBondContact N-SG 3.41Å; C43-C74 VanDerWaalsContact SG-CA 3.51Å; C43-C74 WeakPolarHBondContact SG-CB 3.44Å; C43-C74 CovalentContact SG-SG 2.03Å; C43-C74 PolarHBondContact SG-SG 3.16Å; Y71-C74 PolarHBondContact O-SG 2.8Å; K72-C74 VanDerWaalsContact C-N 3.31Å; K72-C74 PolarHBondContact O-N 3.44Å; C74-F76 HydrophobicContact CB-CD1 3.94Å; C74-F76 HydrophobicContact CB-CE1 3.72Å; C74-R78 VanDerWaalsContact O-CZ 3.28Å; C74-R78 PolarHBondContact O-NH1 3.35Å; C74-R78 PolarHBondContact O-NH2 3.11Å; C74-P109 HydrophobicContact CB-CG 4.5Å; C74-P109 VanDerWaalsContact O-CB 3.32Å; C74-P109 WeakPolarHBondContact O-CB 3.44Å; C74-P109 VanDerWaalsContact O-CG 3.24Å; C74-P109 WeakPolarHBondContact O-CG 3.21Å
75	Y	98.5	Very high	96.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.			trans	-106.7	24.3	-174.3	-49	-68.2	0	0	0	113.5	G47 R48 Y49 C50 C62 H63 S84 Y85 N86 Y89 L106 P109	G47-Y75 PolarHBondContact O-N 3.48Å; R48-Y75 WeakPolarHBondContact O-CB 3.33Å; R48-Y75 WeakPolarHBondContact O-CD2 3.43Å; R48-Y75 PolarHBondContact O-N 3.42Å; Y49-Y75 WeakPolarHBondContact CB-O 3.3Å; C50-Y75 HydrophobicContact CB-CD2 4.28Å; C50-Y75 HydrophobicContact CB-CE2 4.43Å; C62-Y75 HydrophobicContact CB-CE2 4.16Å; H63-Y75 WeakPolarHBondContact CB-OH 3.2Å; H63-Y75 PolarHBondContact N-OH 3.23Å; Y75-S84 CarbonylContact O-C 3.05Å; Y75-S84 VanDerWaalsContact O-CA 3.25Å; Y75-S84 WeakPolarHBondContact O-CA 3.47Å; Y75-Y85 PolarHBondContact O-N 3.3Å; Y75-N86 HydrophobicContact CD1-CB 4.4Å; Y75-N86 HydrophobicContact CD2-CB 3.78Å; Y75-N86 HydrophobicContact CE1-CB 4.38Å; Y75-N86 HydrophobicContact CE2-CB 3.75Å; Y75-N86 HydrophobicContact CG-CB 4.12Å; Y75-Y89 HydrophobicContact CD1-CD1 4.4Å; Y75-Y89 HydrophobicContact CD1-CD2 4.01Å; Y75-Y89 HydrophobicContact CD1-CE2 4.48Å; Y75-Y89 AromaticContact CD1-CG 3.97Å; Y75-Y89 HydrophobicContact CD1-CG 3.97Å; Y75-L106 HydrophobicContact CE1-CD2 4.29Å; Y75-L106 WeakPolarHBondContact CE1-O 3.34Å; Y75-L106 PolarHBondContact OH-O 3.42Å; Y75-P109 HydrophobicContact CD1-CB 4Å; Y75-P109 HydrophobicContact CD1-CG 4.38Å; Y75-P109 HydrophobicContact CE1-CB 4.12Å; Y75-P109 HydrophobicContact CE1-CG 4.23Å
76	F	97.7	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-64.3	165.9	171	64.7	-100.1	0	0	0	111.7	F19 F27 L28 C43 G47 Y49 C74 R78 Y89	F19-F76 HydrophobicContact CB-CD2 4.35Å; F19-F76 HydrophobicContact CB-CE2 3.76Å; F19-F76 AromaticContact CD1-CE2 3.45Å; F19-F76 HydrophobicContact CD1-CE2 3.45Å; F19-F76 VanDerWaalsContact CD1-CE2 3.45Å; F19-F76 HydrophobicContact CD1-CZ 4.07Å; F19-F76 HydrophobicContact CE1-CE2 4.19Å; F19-F76 HydrophobicContact CE1-CZ 4.43Å; F19-F76 AromaticContact CG-CE2 3.75Å; F19-F76 HydrophobicContact CG-CE2 3.75Å; F19-F76 HydrophobicContact CG-CZ 4.39Å; F27-F76 HydrophobicContact CB-CD1 4.32Å; F27-F76 HydrophobicContact CB-CG 4.34Å; F27-F76 HydrophobicContact CD2-CB 4.05Å; F27-F76 HydrophobicContact CD2-CG 4.39Å; F27-F76 HydrophobicContact CG-CB 4.42Å; L28-F76 HydrophobicContact CD2-CE1 4.09Å; L28-F76 HydrophobicContact CD2-CE2 4.36Å; L28-F76 HydrophobicContact CD2-CZ 3.65Å; C43-F76 HydrophobicContact CB-CD1 4.11Å; C43-F76 HydrophobicContact CB-CE1 3.87Å; G47-F76 VanDerWaalsContact O-CD1 3.3Å; G47-F76 WeakPolarHBondContact O-CD1 3.45Å; G47-F76 PolarHBondContact O-N 2.78Å; Y49-F76 HydrophobicContact CD1-CB 4.44Å; Y49-F76 HydrophobicContact CD2-CB 4.41Å; Y49-F76 HydrophobicContact CG-CB 4.37Å; C74-F76 HydrophobicContact CB-CD1 3.94Å; C74-F76 HydrophobicContact CB-CE1 3.72Å; F76-R78 HydrophobicContact CE2-CG 4.26Å; F76-R78 PolarHBondContact O-N 3.4Å; F76-R78 PolarHBondContact O-NH1 3.31Å; F76-Y89 PolarHBondContact O-OH 3.21Å
77	G	97.1	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.			trans	-59.4	129.9	-173	0	0	0	0	0	114.3	F19 E20 Q82 L83 S84	F19-G77 WeakPolarHBondContact CA-O 3.49Å; E20-G77 PolarHBondContact N-O 3.43Å; E20-G77 PolarHBondContact OE2-N 3.23Å; G77-Q82 VanDerWaalsContact C-OE1 3.27Å; G77-Q82 PolarHBondContact O-OE1 3.01Å; G77-Q82 VanDerWaalsContact O-OE1 3.12Å; G77-L83 WeakPolarHBondContact CA-O 3.31Å; G77-S84 WeakPolarHBondContact CA-OG 3.43Å; G77-S84 PolarHBondContact N-OG 2.88Å
78	R	96.3	Very high	96.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-133.3	144.3	175.8	-78.5	-179.8	-170.6	87.1	-8.4	111.5	F19 G40 C74 F76 Q82 L83 Y89 N110 L112 M113	F19-R78 HydrophobicContact CD1-CG 3.83Å; F19-R78 HydrophobicContact CE1-CG 4.04Å; G40-R78 PolarHBondContact O-NH2 3.24Å; C74-R78 VanDerWaalsContact O-CZ 3.28Å; C74-R78 PolarHBondContact O-NH1 3.35Å; C74-R78 PolarHBondContact O-NH2 3.11Å; F76-R78 HydrophobicContact CE2-CG 4.26Å; F76-R78 PolarHBondContact O-N 3.4Å; F76-R78 PolarHBondContact O-NH1 3.31Å; R78-Q82 CarbonylContact O-C 3.51Å; R78-Q82 VanDerWaalsContact O-CA 3.3Å; R78-Q82 WeakPolarHBondContact O-CA 3.28Å; R78-Q82 PolarHBondContact O-N 2.99Å; R78-L83 PolarHBondContact N-O 2.8Å; R78-L83 PolarHBondContact O-N 3.15Å; R78-Y89 WeakPolarHBondContact CB-OH 3.29Å; R78-Y89 WeakPolarHBondContact CD-OH 3.24Å; R78-Y89 PolarHBondContact NH1-OH 3.39Å; R78-N110 PolarHBondContact NE-OD1 3.17Å; R78-L112 HydrophobicContact CB-CD2 3.64Å; R78-L112 HydrophobicContact CB-CG 4.23Å; R78-M113 HydrophobicContact CB-CG 3.69Å; R78-M113 HydrophobicContact CB-SD 3.97Å; R78-M113 HydrophobicContact CG-CG 3.67Å
79	G	91.3	Very high	96.9	Very high	10 Å²	10	32.7 Å²	32.7	10%	0.103	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-170.9	175.7	0	0	0	0	0	113.5	W18 I81 Q82 M113	W18-G79 PolarHBondContact O-N 2.94Å; G79-I81 PolarHBondContact O-N 2.94Å; G79-Q82 PolarHBondContact O-N 3.04Å; G79-Q82 PolarHBondContact O-NE2 3.01Å; G79-M113 VanDerWaalsContact CA-SD 3.56Å; G79-M113 PolarHBondContact N-SD 3.27Å
80	A	92.8	Very high	97	Very high	89 Å²	89	26.4 Å²	26.4	74%	0.736	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-37.9	-169.7	0	0	0	0	0	113.5	Q82 S125	A80-Q82 VanDerWaalsContact C-N 3.28Å; A80-S125 WeakPolarHBondContact CB-OG 3.44Å; A80-S125 PolarHBondContact N-OG 3.33Å
81	I	94.5	Very high	97.1	Very high	36 Å²	36	26.7 Å²	26.7	19%	0.185	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.2	174.9	-157.2	54.1	0	0	0	113.4	G79 L83 S125 F128 I173	G79-I81 PolarHBondContact O-N 2.94Å; I81-L83 HydrophobicContact CG2-CB 4.18Å; I81-L83 HydrophobicContact CG2-CD1 4.46Å; I81-S125 PolarHBondContact N-OG 3.2Å; I81-S125 VanDerWaalsContact N-OG 3.16Å; I81-F128 HydrophobicContact CD1-CD1 3.88Å; I81-F128 HydrophobicContact CD1-CE1 4.17Å; I81-F128 HydrophobicContact CG1-CB 4.05Å; I81-F128 HydrophobicContact CG1-CD1 3.46Å; I81-F128 VanDerWaalsContact CG1-CD1 3.46Å; I81-F128 HydrophobicContact CG1-CE1 4.01Å; I81-F128 HydrophobicContact CG1-CG 3.76Å; I81-F128 HydrophobicContact CG2-CB 4.19Å; I81-I173 HydrophobicContact CD1-CD1 4.48Å; I81-I173 HydrophobicContact CD1-CG1 4.32Å
82	Q	95.3	Very high	97.1	Very high	53 Å²	53	23 Å²	23	25%	0.248	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	59.2	-172.2	-68.3	-71.3	-70.6	0	0	111.2	G77 R78 G79 A80 S84	G77-Q82 VanDerWaalsContact C-OE1 3.27Å; G77-Q82 PolarHBondContact O-OE1 3.01Å; G77-Q82 VanDerWaalsContact O-OE1 3.12Å; R78-Q82 CarbonylContact O-C 3.51Å; R78-Q82 VanDerWaalsContact O-CA 3.3Å; R78-Q82 WeakPolarHBondContact O-CA 3.28Å; R78-Q82 PolarHBondContact O-N 2.99Å; G79-Q82 PolarHBondContact O-N 3.04Å; G79-Q82 PolarHBondContact O-NE2 3.01Å; A80-Q82 VanDerWaalsContact C-N 3.28Å; Q82-S84 PolarHBondContact O-N 2.87Å; Q82-S84 PolarHBondContact O-OG 3.19Å
83	L	97.8	Very high	97.1	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-58.1	124.4	-178.3	-167.9	73.5	0	0	0	109.6	G77 R78 I81 N88 Y89 F92 L112 W127 F128	G77-L83 WeakPolarHBondContact CA-O 3.31Å; R78-L83 PolarHBondContact N-O 2.8Å; R78-L83 PolarHBondContact O-N 3.15Å; I81-L83 HydrophobicContact CG2-CB 4.18Å; I81-L83 HydrophobicContact CG2-CD1 4.46Å; L83-N88 HydrophobicContact CD1-CB 3.88Å; L83-N88 HydrophobicContact CG-CB 4.22Å; L83-Y89 HydrophobicContact CD2-CD2 4.39Å; L83-Y89 HydrophobicContact CD2-CG 4.48Å; L83-Y89 HydrophobicContact CG-CD2 4.43Å; L83-Y89 HydrophobicContact CG-CE2 4.35Å; L83-Y89 WeakPolarHBondContact O-CE2 3.1Å; L83-Y89 PolarHBondContact O-OH 3.02Å; L83-F92 HydrophobicContact CD2-CB 4.2Å; L83-F92 HydrophobicContact CD2-CD1 4.06Å; L83-F92 HydrophobicContact CD2-CG 4.41Å; L83-L112 HydrophobicContact CB-CD2 3.79Å; L83-L112 HydrophobicContact CD2-CD2 3.82Å; L83-L112 HydrophobicContact CG-CD2 4.39Å; L83-W127 HydrophobicContact CD1-CE3 4.27Å; L83-W127 HydrophobicContact CD1-CZ3 3.77Å; L83-F128 HydrophobicContact CD1-CD2 4.41Å
84	S	97.9	Very high	97.1	Very high	18 Å²	18	21.7 Å²	21.7	13%	0.126	12%	0.122	C	C	.	.			trans	-135.7	152.5	-168.8	-79.2	0	0	0	0	111.8	Y75 G77 Q82 N88	Y75-S84 CarbonylContact O-C 3.05Å; Y75-S84 VanDerWaalsContact O-CA 3.25Å; Y75-S84 WeakPolarHBondContact O-CA 3.47Å; G77-S84 WeakPolarHBondContact CA-OG 3.43Å; G77-S84 PolarHBondContact N-OG 2.88Å; Q82-S84 PolarHBondContact O-N 2.87Å; Q82-S84 PolarHBondContact O-OG 3.19Å; S84-N88 VanDerWaalsContact O-CB 3.26Å; S84-N88 WeakPolarHBondContact O-CB 3.3Å; S84-N88 PolarHBondContact O-ND2 3.02Å
85	Y	98.3	Very high	97.1	Very high	101 Å²	101	26.1 Å²	26.1	40%	0.396	14%	0.139	S	C	.	.	S	Bend	trans	73.4	140.1	-178	-59.7	-88.1	0	0	0	116.9	Y49 Y75 F87 N88 Y89	Y49-Y85 HydrophobicContact CD2-CE2 4.35Å; Y49-Y85 VanDerWaalsContact O-CA 3.28Å; Y49-Y85 WeakPolarHBondContact O-CA 3.34Å; Y49-Y85 VanDerWaalsContact O-CD1 3.25Å; Y49-Y85 WeakPolarHBondContact O-CD1 3.43Å; Y75-Y85 PolarHBondContact O-N 3.3Å; Y85-F87 VanDerWaalsContact C-N 3.26Å; Y85-F87 VanDerWaalsContact CB-CZ 3.44Å; Y85-F87 AromaticContact CD1-CE1 3.97Å; Y85-F87 HydrophobicContact CD1-CE1 3.97Å; Y85-F87 HydrophobicContact CD1-CZ 4.35Å; Y85-F87 HydrophobicContact CD2-CE1 4.43Å; Y85-F87 HydrophobicContact CD2-CZ 4Å; Y85-F87 AromaticContact CG-CE1 3.68Å; Y85-F87 HydrophobicContact CG-CE1 3.68Å; Y85-F87 AromaticContact CG-CZ 3.7Å; Y85-F87 HydrophobicContact CG-CZ 3.7Å; Y85-F87 PolarHBondContact O-N 3.46Å; Y85-F87 VanDerWaalsContact O-N 3.16Å; Y85-N88 PolarHBondContact O-N 2.89Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.43Å; Y85-Y89 PolarHBondContact O-N 3.14Å; Y85-Y89 VanDerWaalsContact O-N 3.15Å
86	N	98.5	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-48.7	-43.4	179.8	54	-56.4	0	0	0	113.2	S51 Y60 Y75 N88 Y89 G90 L106	S51-N86 PolarHBondContact N-OD1 2.63Å; S51-N86 PolarHBondContact O-ND2 3.01Å; S51-N86 PolarHBondContact O-OD1 2.93Å; Y60-N86 PolarHBondContact O-ND2 3.18Å; Y75-N86 HydrophobicContact CD1-CB 4.4Å; Y75-N86 HydrophobicContact CD2-CB 3.78Å; Y75-N86 HydrophobicContact CE1-CB 4.38Å; Y75-N86 HydrophobicContact CE2-CB 3.75Å; Y75-N86 HydrophobicContact CG-CB 4.12Å; N86-N88 VanDerWaalsContact C-N 3.31Å; N86-N88 PolarHBondContact O-N 3.04Å; N86-Y89 PolarHBondContact O-N 2.79Å; N86-G90 PolarHBondContact O-N 3.16Å; N86-L106 HydrophobicContact CB-CD2 4.11Å; N86-L106 VanDerWaalsContact O-CD2 3.28Å; N86-L106 WeakPolarHBondContact O-CD2 3.38Å
87	F	98	Very high	97.1	Very high	45 Å²	45	32.8 Å²	32.8	20%	0.197	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-29.5	-179.9	54.6	-99	0	0	0	113.9	L56 Y60 Y85 Q91 M255	L56-F87 HydrophobicContact CD1-CD1 4.46Å; L56-F87 HydrophobicContact CD2-CB 3.77Å; L56-F87 HydrophobicContact CD2-CD1 4.15Å; L56-F87 HydrophobicContact CD2-CG 4.3Å; Y60-F87 HydrophobicContact CD2-CB 3.89Å; Y85-F87 VanDerWaalsContact C-N 3.26Å; Y85-F87 VanDerWaalsContact CB-CZ 3.44Å; Y85-F87 AromaticContact CD1-CE1 3.97Å; Y85-F87 HydrophobicContact CD1-CE1 3.97Å; Y85-F87 HydrophobicContact CD1-CZ 4.35Å; Y85-F87 HydrophobicContact CD2-CE1 4.43Å; Y85-F87 HydrophobicContact CD2-CZ 4Å; Y85-F87 AromaticContact CG-CE1 3.68Å; Y85-F87 HydrophobicContact CG-CE1 3.68Å; Y85-F87 AromaticContact CG-CZ 3.7Å; Y85-F87 HydrophobicContact CG-CZ 3.7Å; Y85-F87 PolarHBondContact O-N 3.46Å; Y85-F87 VanDerWaalsContact O-N 3.16Å; F87-Q91 WeakPolarHBondContact O-CB 3.32Å; F87-Q91 WeakPolarHBondContact O-CG 3.48Å; F87-Q91 PolarHBondContact O-N 3.26Å; F87-Q91 PolarHBondContact O-NE2 3.05Å; F87-M255 HydrophobicContact CB-SD 4.34Å
88	N	98.2	Very high	97	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.08	20%	0.197	C	C	.	.	H	α-helix	trans	-79.4	-39.8	175	-74.1	-39.4	0	0	0	111.4	L83 S84 Y85 N86 G90 F92 Q133	L83-N88 HydrophobicContact CD1-CB 3.88Å; L83-N88 HydrophobicContact CG-CB 4.22Å; S84-N88 VanDerWaalsContact O-CB 3.26Å; S84-N88 WeakPolarHBondContact O-CB 3.3Å; S84-N88 PolarHBondContact O-ND2 3.02Å; Y85-N88 PolarHBondContact O-N 2.89Å; N86-N88 VanDerWaalsContact C-N 3.31Å; N86-N88 PolarHBondContact O-N 3.04Å; N88-G90 VanDerWaalsContact C-N 3.28Å; N88-G90 PolarHBondContact O-N 2.77Å; N88-F92 VanDerWaalsContact O-CB 3.3Å; N88-F92 WeakPolarHBondContact O-CB 3.43Å; N88-F92 PolarHBondContact O-N 2.83Å; N88-Q133 PolarHBondContact OD1-NE2 3.29Å
89	Y	98.7	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-41.5	172.9	-81.6	-104.5	0	0	0	111.1	Y75 F76 R78 L83 Y85 N86 G93 L105 P109 L112	Y75-Y89 HydrophobicContact CD1-CD1 4.4Å; Y75-Y89 HydrophobicContact CD1-CD2 4.01Å; Y75-Y89 HydrophobicContact CD1-CE2 4.48Å; Y75-Y89 AromaticContact CD1-CG 3.97Å; Y75-Y89 HydrophobicContact CD1-CG 3.97Å; F76-Y89 PolarHBondContact O-OH 3.21Å; R78-Y89 WeakPolarHBondContact CB-OH 3.29Å; R78-Y89 WeakPolarHBondContact CD-OH 3.24Å; R78-Y89 PolarHBondContact NH1-OH 3.39Å; L83-Y89 HydrophobicContact CD2-CD2 4.39Å; L83-Y89 HydrophobicContact CD2-CG 4.48Å; L83-Y89 HydrophobicContact CG-CD2 4.43Å; L83-Y89 HydrophobicContact CG-CE2 4.35Å; L83-Y89 WeakPolarHBondContact O-CE2 3.1Å; L83-Y89 PolarHBondContact O-OH 3.02Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.43Å; Y85-Y89 PolarHBondContact O-N 3.14Å; Y85-Y89 VanDerWaalsContact O-N 3.15Å; N86-Y89 PolarHBondContact O-N 2.79Å; Y89-G93 PolarHBondContact O-N 3.32Å; Y89-L105 HydrophobicContact CD1-CB 4.16Å; Y89-P109 HydrophobicContact CD1-CB 3.81Å; Y89-P109 HydrophobicContact CE1-CB 3.66Å; Y89-P109 WeakPolarHBondContact CE1-O 3.39Å; Y89-L112 HydrophobicContact CD1-CD2 4.47Å; Y89-L112 HydrophobicContact CE1-CB 4.14Å; Y89-L112 HydrophobicContact CE1-CD2 3.63Å
90	G	98.3	Very high	97.3	Very high	4 Å²	4	48 Å²	48	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-51.2	176.8	0	0	0	0	0	113	N86 N88 F92 G93 D94	N86-G90 PolarHBondContact O-N 3.16Å; N88-G90 VanDerWaalsContact C-N 3.28Å; N88-G90 PolarHBondContact O-N 2.77Å; G90-F92 VanDerWaalsContact C-N 3.33Å; G90-F92 PolarHBondContact O-N 2.9Å; G90-G93 CarbonylContact O-C 3.47Å; G90-G93 WeakPolarHBondContact O-CA 3.45Å; G90-G93 PolarHBondContact O-N 3.49Å; G90-G93 VanDerWaalsContact O-N 3.1Å; G90-D94 PolarHBondContact O-N 3.04Å
91	Q	98	Very high	97.5	Very high	46 Å²	46	44.8 Å²	44.8	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-40.2	177.1	-75.1	174.2	88.4	0	0	112.6	Y60 F87 D94 W95 W127	Y60-Q91 HydrophobicContact CD2-CG 4.49Å; Y60-Q91 HydrophobicContact CE1-CG 4.5Å; Y60-Q91 HydrophobicContact CE2-CG 3.53Å; Y60-Q91 WeakPolarHBondContact OH-CG 3.26Å; F87-Q91 WeakPolarHBondContact O-CB 3.32Å; F87-Q91 WeakPolarHBondContact O-CG 3.48Å; F87-Q91 PolarHBondContact O-N 3.26Å; F87-Q91 PolarHBondContact O-NE2 3.05Å; Q91-D94 PolarHBondContact O-N 3.35Å; Q91-W95 PolarHBondContact O-N 3.19Å; Q91-W127 HydrophobicContact CB-CH2 3.98Å; Q91-W127 HydrophobicContact CB-CZ2 3.76Å
92	F	98.5	Very high	97.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-38.8	173.8	179.7	-128.2	0	0	0	111.6	L83 N88 G90 D94 W95 L96 L105 L112 M123 W127	L83-F92 HydrophobicContact CD2-CB 4.2Å; L83-F92 HydrophobicContact CD2-CD1 4.06Å; L83-F92 HydrophobicContact CD2-CG 4.41Å; N88-F92 VanDerWaalsContact O-CB 3.3Å; N88-F92 WeakPolarHBondContact O-CB 3.43Å; N88-F92 PolarHBondContact O-N 2.83Å; G90-F92 VanDerWaalsContact C-N 3.33Å; G90-F92 PolarHBondContact O-N 2.9Å; F92-D94 PolarHBondContact O-N 2.66Å; F92-W95 HydrophobicContact CD2-CE3 4.02Å; F92-W95 AromaticContact CE2-CE3 3.62Å; F92-W95 HydrophobicContact CE2-CE3 3.62Å; F92-W95 AromaticContact CE2-CZ3 3.89Å; F92-W95 HydrophobicContact CE2-CZ3 3.89Å; F92-W95 PolarHBondContact O-N 2.77Å; F92-L96 HydrophobicContact CD1-CD1 3.89Å; F92-L96 HydrophobicContact CD1-CG 4.5Å; F92-L96 HydrophobicContact CD2-CG 4.26Å; F92-L96 HydrophobicContact CE1-CD1 3.51Å; F92-L96 HydrophobicContact CE1-CD2 4.47Å; F92-L96 HydrophobicContact CE1-CG 4.11Å; F92-L96 HydrophobicContact CE2-CD1 4.19Å; F92-L96 HydrophobicContact CE2-CD2 4.03Å; F92-L96 HydrophobicContact CE2-CG 3.84Å; F92-L96 HydrophobicContact CG-CD1 4.37Å; F92-L96 HydrophobicContact CZ-CD1 3.66Å; F92-L96 HydrophobicContact CZ-CD2 3.77Å; F92-L96 HydrophobicContact CZ-CG 3.74Å; F92-L96 WeakPolarHBondContact O-CB 3.19Å; F92-L96 WeakPolarHBondContact O-CG 3.44Å; F92-L96 PolarHBondContact O-N 2.72Å; F92-L105 HydrophobicContact CD1-CD1 3.51Å; F92-L105 HydrophobicContact CE1-CD1 3.97Å; F92-L105 HydrophobicContact CG-CD1 4.48Å; F92-L112 HydrophobicContact CD1-CD1 4.16Å; F92-L112 HydrophobicContact CE1-CD1 3.71Å; F92-M123 HydrophobicContact CE2-CB 4.36Å; F92-M123 HydrophobicContact CZ-CB 3.88Å; F92-W127 HydrophobicContact CB-CD2 4.04Å; F92-W127 HydrophobicContact CB-CE3 3.9Å; F92-W127 HydrophobicContact CB-CH2 4.25Å; F92-W127 HydrophobicContact CB-CZ2 4.36Å; F92-W127 HydrophobicContact CB-CZ3 4.03Å; F92-W127 HydrophobicContact CD2-CB 3.72Å; F92-W127 AromaticContact CD2-CD2 3.69Å; F92-W127 HydrophobicContact CD2-CD2 3.69Å; F92-W127 HydrophobicContact CD2-CE3 4.04Å; F92-W127 AromaticContact CD2-CG 3.53Å; F92-W127 HydrophobicContact CD2-CG 3.53Å; F92-W127 HydrophobicContact CE2-CB 3.79Å; F92-W127 HydrophobicContact CE2-CG 4.11Å; F92-W127 HydrophobicContact CG-CD2 4.22Å; F92-W127 HydrophobicContact CG-CE3 4.19Å; F92-W127 HydrophobicContact CG-CG 4.5Å
93	G	98.4	Very high	97.7	Very high	6 Å²	6	47.9 Å²	47.9	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-41.3	172.7	0	0	0	0	0	113.3	Y89 G90 L96 R97	Y89-G93 PolarHBondContact O-N 3.32Å; G90-G93 CarbonylContact O-C 3.47Å; G90-G93 WeakPolarHBondContact O-CA 3.45Å; G90-G93 PolarHBondContact O-N 3.49Å; G90-G93 VanDerWaalsContact O-N 3.1Å; G93-L96 PolarHBondContact O-N 2.72Å; G93-R97 PolarHBondContact O-N 3.01Å
94	D	97.2	Very high	97.7	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.144	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-44.6	173.4	-76.2	-17.5	0	0	0	111.1	Y60 G90 Q91 F92 L96 R97 N98 R278	Y60-D94 WeakPolarHBondContact CE1-OD2 3.39Å; Y60-D94 PolarHBondContact OH-OD2 3.2Å; G90-D94 PolarHBondContact O-N 3.04Å; Q91-D94 PolarHBondContact O-N 3.35Å; F92-D94 PolarHBondContact O-N 2.66Å; D94-L96 VanDerWaalsContact C-N 3.34Å; D94-L96 PolarHBondContact O-N 3.3Å; D94-R97 PolarHBondContact O-N 2.96Å; D94-R97 IonicContact OD1-CZ 2.84Å; D94-R97 IonicContact OD1-NH1 3.7Å; D94-R97 PolarHBondContact OD1-NH1 3.46Å; D94-R97 IonicContact OD1-NH2 2.91Å; D94-N98 PolarHBondContact O-N 3.15Å; D94-R278 IonicContact OD2-NH2 2.79Å
95	W	97.7	Very high	97.7	Very high	92 Å²	92	50.6 Å²	50.6	35%	0.348	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-43	175.5	-179.5	88.9	0	0	0	111.8	Q91 F92 N98 N99 M123 W127	Q91-W95 PolarHBondContact O-N 3.19Å; F92-W95 HydrophobicContact CD2-CE3 4.02Å; F92-W95 AromaticContact CE2-CE3 3.62Å; F92-W95 HydrophobicContact CE2-CE3 3.62Å; F92-W95 AromaticContact CE2-CZ3 3.89Å; F92-W95 HydrophobicContact CE2-CZ3 3.89Å; F92-W95 PolarHBondContact O-N 2.77Å; W95-N98 PolarHBondContact O-N 3.31Å; W95-N99 VanDerWaalsContact CE2-ND2 3.32Å; W95-N99 PolarHBondContact NE1-ND2 2.98Å; W95-N99 PolarHBondContact O-N 2.8Å; W95-N99 VanDerWaalsContact O-N 3.13Å; W95-N99 PolarHBondContact O-ND2 3.36Å; W95-M123 HydrophobicContact CH2-CE 4.11Å; W95-M123 HydrophobicContact CZ3-CE 3.78Å; W95-W127 AromaticContact CD1-CD1 3.82Å; W95-W127 AromaticContact CD2-CD1 3.82Å; W95-W127 AromaticContact CG-CD1 3.53Å; W95-W127 AromaticContact CG-NE1 3.86Å
96	L	98.4	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-46	175.7	-76.6	170.3	0	0	0	111.6	F92 G93 D94 N98 N99 S100 V101 V103 L105 L120 M123	F92-L96 HydrophobicContact CD1-CD1 3.89Å; F92-L96 HydrophobicContact CD1-CG 4.5Å; F92-L96 HydrophobicContact CD2-CG 4.26Å; F92-L96 HydrophobicContact CE1-CD1 3.51Å; F92-L96 HydrophobicContact CE1-CD2 4.47Å; F92-L96 HydrophobicContact CE1-CG 4.11Å; F92-L96 HydrophobicContact CE2-CD1 4.19Å; F92-L96 HydrophobicContact CE2-CD2 4.03Å; F92-L96 HydrophobicContact CE2-CG 3.84Å; F92-L96 HydrophobicContact CG-CD1 4.37Å; F92-L96 HydrophobicContact CZ-CD1 3.66Å; F92-L96 HydrophobicContact CZ-CD2 3.77Å; F92-L96 HydrophobicContact CZ-CG 3.74Å; F92-L96 WeakPolarHBondContact O-CB 3.19Å; F92-L96 WeakPolarHBondContact O-CG 3.44Å; F92-L96 PolarHBondContact O-N 2.72Å; G93-L96 PolarHBondContact O-N 2.72Å; D94-L96 VanDerWaalsContact C-N 3.34Å; D94-L96 PolarHBondContact O-N 3.3Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.44Å; L96-N99 CarbonylContact O-C 3.54Å; L96-N99 WeakPolarHBondContact O-CA 3.45Å; L96-N99 PolarHBondContact O-N 3.29Å; L96-S100 PolarHBondContact O-N 3.43Å; L96-V101 CarbonylContact C-O 3.5Å; L96-V101 VanDerWaalsContact C-O 3.22Å; L96-V101 HydrophobicContact CB-CB 4.05Å; L96-V101 HydrophobicContact CB-CG1 4.43Å; L96-V101 HydrophobicContact CD2-CB 3.91Å; L96-V101 HydrophobicContact CD2-CG1 3.98Å; L96-V101 HydrophobicContact CD2-CG2 4.29Å; L96-V101 PolarHBondContact O-N 3.41Å; L96-V103 HydrophobicContact CD1-CG2 3.72Å; L96-L105 HydrophobicContact CD1-CD1 3.83Å; L96-L120 HydrophobicContact CD1-CD1 4.31Å; L96-L120 HydrophobicContact CD1-CD2 4.06Å; L96-L120 HydrophobicContact CD2-CD2 3.82Å; L96-M123 HydrophobicContact CD2-CE 3.77Å
97	R	97.5	Very high	97.7	Very high	140 Å²	140	51.7 Å²	51.7	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-43.3	177.7	-168.7	-173.9	-58.9	139.2	8	111.7	G93 D94 N99 S100 V101	G93-R97 PolarHBondContact O-N 3.01Å; D94-R97 PolarHBondContact O-N 2.96Å; D94-R97 IonicContact OD1-CZ 2.84Å; D94-R97 IonicContact OD1-NH1 3.7Å; D94-R97 PolarHBondContact OD1-NH1 3.46Å; D94-R97 IonicContact OD1-NH2 2.91Å; R97-N99 PolarHBondContact O-N 3.09Å; R97-S100 PolarHBondContact O-N 3.22Å; R97-S100 VanDerWaalsContact O-N 3.09Å; R97-V101 PolarHBondContact N-O 3.13Å
98	N	95.4	Very high	97.7	Very high	129 Å²	129	53.1 Å²	53.1	69%	0.69	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-18.3	175.6	-70	-15.8	0	0	0	113.2	D94 W95 L96	D94-N98 PolarHBondContact O-N 3.15Å; W95-N98 PolarHBondContact O-N 3.31Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.44Å
99	N	96.5	Very high	97.7	Very high	82 Å²	82	52.6 Å²	52.6	44%	0.439	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	28.5	174.7	-69.1	-88.8	0	0	0	112.2	W95 L96 R97 V101	W95-N99 VanDerWaalsContact CE2-ND2 3.32Å; W95-N99 PolarHBondContact NE1-ND2 2.98Å; W95-N99 PolarHBondContact O-N 2.8Å; W95-N99 VanDerWaalsContact O-N 3.13Å; W95-N99 PolarHBondContact O-ND2 3.36Å; L96-N99 CarbonylContact O-C 3.54Å; L96-N99 WeakPolarHBondContact O-CA 3.45Å; L96-N99 PolarHBondContact O-N 3.29Å; R97-N99 PolarHBondContact O-N 3.09Å; N99-V101 PolarHBondContact O-N 3.19Å
100	S	96.9	Very high	97.7	Very high	120 Å²	120	52.7 Å²	52.7	84%	0.839	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	20.6	174.1	-50.3	0	0	0	0	115.8	L96 R97	L96-S100 PolarHBondContact O-N 3.43Å; R97-S100 PolarHBondContact O-N 3.22Å; R97-S100 VanDerWaalsContact O-N 3.09Å
101	V	97.8	Very high	97.7	Very high	22 Å²	22	55 Å²	55	13%	0.133	28%	0.28	C	S	.	.			trans	-105.4	100.8	172.2	-176.9	0	0	0	0	108.9	L96 R97 N99 V103 P118 L120	L96-V101 CarbonylContact C-O 3.5Å; L96-V101 VanDerWaalsContact C-O 3.22Å; L96-V101 HydrophobicContact CB-CB 4.05Å; L96-V101 HydrophobicContact CB-CG1 4.43Å; L96-V101 HydrophobicContact CD2-CB 3.91Å; L96-V101 HydrophobicContact CD2-CG1 3.98Å; L96-V101 HydrophobicContact CD2-CG2 4.29Å; L96-V101 PolarHBondContact O-N 3.41Å; R97-V101 PolarHBondContact N-O 3.13Å; N99-V101 PolarHBondContact O-N 3.19Å; V101-V103 HydrophobicContact CG1-CG1 4.49Å; V101-V103 PolarHBondContact O-N 3.02Å; V101-P118 HydrophobicContact CG1-CG 4.1Å; V101-P118 HydrophobicContact CG2-CG 3.84Å; V101-L120 HydrophobicContact CG1-CD2 4.12Å
102	N	96.8	Very high	97.7	Very high	136 Å²	136	52.8 Å²	52.8	73%	0.727	27%	0.27	S	S	*	.			trans	-90.7	102	-177.7	-164.3	23.3	0	0	0	111.2
103	V	97.5	Very high	97.6	Very high	18 Å²	18	53.7 Å²	53.7	11%	0.109	27%	0.274	C	S	.	.			trans	-138.9	147.8	172.7	-68.8	0	0	0	0	109.6	L96 V101 L105 L111 K115 L120	L96-V103 HydrophobicContact CD1-CG2 3.72Å; V101-V103 HydrophobicContact CG1-CG1 4.49Å; V101-V103 PolarHBondContact O-N 3.02Å; V103-L105 HydrophobicContact CB-CD2 4.45Å; V103-L105 HydrophobicContact CG2-CD2 3.98Å; V103-L105 HydrophobicContact CG2-CG 3.9Å; V103-L111 HydrophobicContact CB-CD1 4.26Å; V103-L111 HydrophobicContact CG1-CD1 4.35Å; V103-K115 HydrophobicContact CG1-CD 3.79Å; V103-L120 HydrophobicContact CG1-CD1 4.3Å; V103-L120 HydrophobicContact CG2-CD1 3.95Å
104	D	97.6	Very high	97.5	Very high	77 Å²	77	56.2 Å²	56.2	41%	0.412	29%	0.288	S	S	.	.			trans	-102	89.4	173.6	-173	-14	0	0	0	109.6	L106 K107 H108	D104-L106 VanDerWaalsContact C-N 3.26Å; D104-L106 PolarHBondContact O-N 3.11Å; D104-L106 PolarHBondContact OD1-N 3.17Å; D104-L106 VanDerWaalsContact OD1-N 3.1Å; D104-K107 HydrophobicContact CB-CB 4.2Å; D104-K107 PolarHBondContact OD1-N 3.29Å; D104-K107 VanDerWaalsContact OD2-CB 3.23Å; D104-K107 WeakPolarHBondContact OD2-CB 3.08Å; D104-H108 WeakPolarHBondContact O-CA 3.41Å; D104-H108 WeakPolarHBondContact O-CB 3.35Å; D104-H108 PolarHBondContact O-N 2.99Å
105	L	98.5	Very high	97.5	Very high	3 Å²	3	58 Å²	58	2%	0.016	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.6	179.3	-66.5	-171.3	0	0	0	113.3	Y89 F92 L96 V103 P109 L111 L120	Y89-L105 HydrophobicContact CD1-CB 4.16Å; F92-L105 HydrophobicContact CD1-CD1 3.51Å; F92-L105 HydrophobicContact CE1-CD1 3.97Å; F92-L105 HydrophobicContact CG-CD1 4.48Å; L96-L105 HydrophobicContact CD1-CD1 3.83Å; V103-L105 HydrophobicContact CB-CD2 4.45Å; V103-L105 HydrophobicContact CG2-CD2 3.98Å; V103-L105 HydrophobicContact CG2-CG 3.9Å; L105-P109 WeakPolarHBondContact O-CA 3.41Å; L105-P109 WeakPolarHBondContact O-CB 3.14Å; L105-L111 HydrophobicContact CD2-CB 3.88Å; L105-L120 HydrophobicContact CD2-CD1 4.14Å
106	L	98.3	Very high	97.4	Very high	29 Å²	29	59 Å²	59	15%	0.152	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-43.6	173.4	-71	176.1	0	0	0	110.4	Y60 H63 Y75 N86 D104	Y60-L106 HydrophobicContact CD1-CD1 4.28Å; H63-L106 WeakPolarHBondContact CB-O 3.3Å; Y75-L106 HydrophobicContact CE1-CD2 4.29Å; Y75-L106 WeakPolarHBondContact CE1-O 3.34Å; Y75-L106 PolarHBondContact OH-O 3.42Å; N86-L106 HydrophobicContact CB-CD2 4.11Å; N86-L106 VanDerWaalsContact O-CD2 3.28Å; N86-L106 WeakPolarHBondContact O-CD2 3.38Å; D104-L106 VanDerWaalsContact C-N 3.26Å; D104-L106 PolarHBondContact O-N 3.11Å; D104-L106 PolarHBondContact OD1-N 3.17Å; D104-L106 VanDerWaalsContact OD1-N 3.1Å
107	K	98	Very high	97.3	Very high	95 Å²	95	65.5 Å²	65.5	41%	0.413	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-37.7	177.7	-169.7	177.7	178.6	179.3	0	113	H63 D104 P109	H63-K107 PolarHBondContact CD2-O 2.66Å; D104-K107 HydrophobicContact CB-CB 4.2Å; D104-K107 PolarHBondContact OD1-N 3.29Å; D104-K107 VanDerWaalsContact OD2-CB 3.23Å; D104-K107 WeakPolarHBondContact OD2-CB 3.08Å; K107-P109 VanDerWaalsContact C-CD 3.48Å; K107-P109 WeakPolarHBondContact O-CD 3.32Å
108	H	98.1	Very high	97.3	Very high	74 Å²	74	60.5 Å²	60.5	34%	0.343	33%	0.332	S	S	.	.			trans	-126.7	66.2	-176.3	-58	-69.8	0	0	0	111.4	D104 N110 L111	D104-H108 WeakPolarHBondContact O-CA 3.41Å; D104-H108 WeakPolarHBondContact O-CB 3.35Å; D104-H108 PolarHBondContact O-N 2.99Å; H108-N110 PolarHBondContact O-N 3.34Å; H108-N110 VanDerWaalsContact O-N 3.12Å; H108-L111 HydrophobicContact CB-CD1 3.68Å; H108-L111 HydrophobicContact CB-CG 3.86Å; H108-L111 WeakPolarHBondContact O-CB 3.36Å; H108-L111 WeakPolarHBondContact O-CG 3.39Å; H108-L111 PolarHBondContact O-N 3.22Å; H108-L111 VanDerWaalsContact O-N 3.08Å
109	P	98.4	Very high	97.3	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.026	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.5	-174.8	23.5	-33.5	0	0	0	113.5	C74 Y75 Y89 L105 K107 L111 L112	C74-P109 HydrophobicContact CB-CG 4.5Å; C74-P109 VanDerWaalsContact O-CB 3.32Å; C74-P109 WeakPolarHBondContact O-CB 3.44Å; C74-P109 VanDerWaalsContact O-CG 3.24Å; C74-P109 WeakPolarHBondContact O-CG 3.21Å; Y75-P109 HydrophobicContact CD1-CB 4Å; Y75-P109 HydrophobicContact CD1-CG 4.38Å; Y75-P109 HydrophobicContact CE1-CB 4.12Å; Y75-P109 HydrophobicContact CE1-CG 4.23Å; Y89-P109 HydrophobicContact CD1-CB 3.81Å; Y89-P109 HydrophobicContact CE1-CB 3.66Å; Y89-P109 WeakPolarHBondContact CE1-O 3.39Å; L105-P109 WeakPolarHBondContact O-CA 3.41Å; L105-P109 WeakPolarHBondContact O-CB 3.14Å; K107-P109 VanDerWaalsContact C-CD 3.48Å; K107-P109 WeakPolarHBondContact O-CD 3.32Å; P109-L111 PolarHBondContact O-N 2.99Å; P109-L112 VanDerWaalsContact O-CB 3.32Å; P109-L112 WeakPolarHBondContact O-CB 3.5Å; P109-L112 PolarHBondContact O-N 2.77Å; P109-L112 VanDerWaalsContact O-N 3.17Å
110	N	97.9	Very high	97.4	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.011	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.5	179.6	-157.4	37.7	0	0	0	114	P37 E41 R78 H108 L112 M113 T114	P37-N110 PolarHBondContact O-ND2 2.89Å; P37-N110 PolarHBondContact O-OD1 3.37Å; E41-N110 PolarHBondContact N-ND2 3.41Å; E41-N110 WeakPolarHBondContact OE2-CB 3.35Å; R78-N110 PolarHBondContact NE-OD1 3.17Å; H108-N110 PolarHBondContact O-N 3.34Å; H108-N110 VanDerWaalsContact O-N 3.12Å; N110-L112 PolarHBondContact O-N 3.47Å; N110-L112 VanDerWaalsContact O-N 3.12Å; N110-M113 PolarHBondContact O-N 3.45Å; N110-T114 PolarHBondContact O-N 3.47Å; N110-T114 PolarHBondContact O-OG1 2.91Å
111	L	98.2	Very high	97.4	Very high	52 Å²	52	48.9 Å²	48.9	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-56.5	-26.9	170.4	-71.7	177.5	0	0	0	112.5	V103 L105 H108 P109 M113 T114 K115	V103-L111 HydrophobicContact CB-CD1 4.26Å; V103-L111 HydrophobicContact CG1-CD1 4.35Å; L105-L111 HydrophobicContact CD2-CB 3.88Å; H108-L111 HydrophobicContact CB-CD1 3.68Å; H108-L111 HydrophobicContact CB-CG 3.86Å; H108-L111 WeakPolarHBondContact O-CB 3.36Å; H108-L111 WeakPolarHBondContact O-CG 3.39Å; H108-L111 PolarHBondContact O-N 3.22Å; H108-L111 VanDerWaalsContact O-N 3.08Å; P109-L111 PolarHBondContact O-N 2.99Å; L111-M113 PolarHBondContact O-N 3.05Å; L111-T114 WeakPolarHBondContact CA-OG1 3.32Å; L111-K115 WeakPolarHBondContact O-CB 3.41Å; L111-K115 PolarHBondContact O-N 3.3Å
112	L	98.2	Very high	97.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-33.5	174.3	-177.7	62.1	0	0	0	112	R78 L83 Y89 F92 P109 N110 L120 A121	R78-L112 HydrophobicContact CB-CD2 3.64Å; R78-L112 HydrophobicContact CB-CG 4.23Å; L83-L112 HydrophobicContact CB-CD2 3.79Å; L83-L112 HydrophobicContact CD2-CD2 3.82Å; L83-L112 HydrophobicContact CG-CD2 4.39Å; Y89-L112 HydrophobicContact CD1-CD2 4.47Å; Y89-L112 HydrophobicContact CE1-CB 4.14Å; Y89-L112 HydrophobicContact CE1-CD2 3.63Å; F92-L112 HydrophobicContact CD1-CD1 4.16Å; F92-L112 HydrophobicContact CE1-CD1 3.71Å; P109-L112 VanDerWaalsContact O-CB 3.32Å; P109-L112 WeakPolarHBondContact O-CB 3.5Å; P109-L112 PolarHBondContact O-N 2.77Å; P109-L112 VanDerWaalsContact O-N 3.17Å; N110-L112 PolarHBondContact O-N 3.47Å; N110-L112 VanDerWaalsContact O-N 3.12Å; L112-L120 HydrophobicContact CD1-CB 4.1Å; L112-L120 WeakPolarHBondContact CD1-O 3.49Å; L112-L120 CarbonylContact O-C 3.38Å; L112-A121 VanDerWaalsContact O-CA 3.3Å; L112-A121 WeakPolarHBondContact O-CA 3.38Å; L112-A121 WeakPolarHBondContact O-CB 3.46Å; L112-A121 PolarHBondContact O-N 3.39Å
113	M	96.5	Very high	97.4	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-100.5	-34.2	179.4	-70.7	-53.4	-53.4	0	0	113.9	W18 F19 P37 R78 G79 N110 L111 A121	W18-M113 HydrophobicContact CB-CE 4.16Å; W18-M113 HydrophobicContact CD2-CE 4.23Å; W18-M113 HydrophobicContact CE3-CE 3.38Å; W18-M113 HydrophobicContact CZ3-CE 4.08Å; F19-M113 HydrophobicContact CE1-CB 4.47Å; F19-M113 HydrophobicContact CE1-CG 4.02Å; P37-M113 HydrophobicContact CB-CB 4.21Å; R78-M113 HydrophobicContact CB-CG 3.69Å; R78-M113 HydrophobicContact CB-SD 3.97Å; R78-M113 HydrophobicContact CG-CG 3.67Å; G79-M113 VanDerWaalsContact CA-SD 3.56Å; G79-M113 PolarHBondContact N-SD 3.27Å; N110-M113 PolarHBondContact O-N 3.45Å; L111-M113 PolarHBondContact O-N 3.05Å; M113-A121 HydrophobicContact CE-CB 4.34Å; M113-A121 HydrophobicContact SD-CB 3.78Å
114	T	97.1	Very high	97.4	Very high	58 Å²	58	46.5 Å²	46.5	36%	0.356	25%	0.252	S	S	.	.	H	α-helix	trans	-88.2	-21.4	-173.4	57.5	0	0	0	0	113.6	P37 N110 L111	P37-T114 HydrophobicContact CB-CG2 4.15Å; P37-T114 WeakPolarHBondContact O-CG2 3.34Å; N110-T114 PolarHBondContact O-N 3.47Å; N110-T114 PolarHBondContact O-OG1 2.91Å; L111-T114 WeakPolarHBondContact CA-OG1 3.32Å
115	K	96.8	Very high	97.4	Very high	66 Å²	66	43.5 Å²	43.5	29%	0.287	24%	0.236	S	C	.	.			trans	-85	120.6	176.3	-172.3	172	168.5	69.1	0	111.1	V103 L111 D117 L120	V103-K115 HydrophobicContact CG1-CD 3.79Å; L111-K115 WeakPolarHBondContact O-CB 3.41Å; L111-K115 PolarHBondContact O-N 3.3Å; K115-D117 VanDerWaalsContact CE-O 3.28Å; K115-D117 WeakPolarHBondContact CE-O 3.45Å; K115-D117 PolarHBondContact NZ-O 3.41Å; K115-L120 HydrophobicContact CB-CD1 4.06Å; K115-L120 HydrophobicContact CB-CG 4.02Å; K115-L120 HydrophobicContact CD-CD1 3.79Å; K115-L120 HydrophobicContact CD-CD2 4.47Å; K115-L120 HydrophobicContact CD-CG 3.97Å; K115-L120 HydrophobicContact CG-CD1 4.35Å; K115-L120 HydrophobicContact CG-CG 4.15Å; K115-L120 PolarHBondContact O-N 3.12Å
116	T	95.7	Very high	97.4	Very high	113 Å²	113	47.8 Å²	47.8	69%	0.693	26%	0.258	S	S	*	.	B	Isolated β-bridge	trans	-111.6	-10.7	-176.9	53.6	0	0	0	0	114.3	P118 P119	T116-P118 CarbonylContact C-O 3.51Å; T116-P118 CarbonylContact O-C 3.18Å; T116-P119 WeakPolarHBondContact O-CD 3.4Å
117	D	95.4	Very high	97.3	Very high	135 Å²	135	47 Å²	47	72%	0.722	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	95.9	175.5	-171.8	12	0	0	0	111.4	K115	K115-D117 VanDerWaalsContact CE-O 3.28Å; K115-D117 WeakPolarHBondContact CE-O 3.45Å; K115-D117 PolarHBondContact NZ-O 3.41Å
118	P	96.8	Very high	97.3	Very high	35 Å²	35	43.6 Å²	43.6	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	cis	-74.5	163.3	-8.2	34.5	-39.3	0	0	0	112.2	V101 T116 L120 M123	V101-P118 HydrophobicContact CG1-CG 4.1Å; V101-P118 HydrophobicContact CG2-CG 3.84Å; T116-P118 CarbonylContact C-O 3.51Å; T116-P118 CarbonylContact O-C 3.18Å; P118-L120 HydrophobicContact CG-CD2 4.14Å; P118-L120 PolarHBondContact O-N 3.02Å; P118-M123 HydrophobicContact CB-SD 3.57Å; P118-M123 VanDerWaalsContact CB-SD 3.57Å; P118-M123 HydrophobicContact CG-CE 4.34Å; P118-M123 HydrophobicContact CG-SD 3.79Å
119	P	96.8	Very high	97.3	Very high	64 Å²	64	43.4 Å²	43.4	42%	0.416	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-76.7	92.3	-174.8	31.3	-36.4	0	0	0	111.7	T116 A121 I122 M123	T116-P119 WeakPolarHBondContact O-CD 3.4Å; P119-A121 VanDerWaalsContact C-N 3.3Å; P119-A121 PolarHBondContact O-N 3.43Å; P119-I122 HydrophobicContact CB-CG2 3.93Å; P119-I122 HydrophobicContact CG-CG2 3.75Å; P119-I122 WeakPolarHBondContact O-CG2 3.34Å; P119-I122 PolarHBondContact O-N 2.94Å; P119-M123 WeakPolarHBondContact O-CG 3.42Å; P119-M123 PolarHBondContact O-N 3.02Å
120	L	98.2	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-33.2	-170.4	-63.4	-165.6	0	0	0	113.5	L96 V101 V103 L105 L112 K115 P118 I122 M123 G124	L96-L120 HydrophobicContact CD1-CD1 4.31Å; L96-L120 HydrophobicContact CD1-CD2 4.06Å; L96-L120 HydrophobicContact CD2-CD2 3.82Å; V101-L120 HydrophobicContact CG1-CD2 4.12Å; V103-L120 HydrophobicContact CG1-CD1 4.3Å; V103-L120 HydrophobicContact CG2-CD1 3.95Å; L105-L120 HydrophobicContact CD2-CD1 4.14Å; L112-L120 HydrophobicContact CD1-CB 4.1Å; L112-L120 WeakPolarHBondContact CD1-O 3.49Å; L112-L120 CarbonylContact O-C 3.38Å; K115-L120 HydrophobicContact CB-CD1 4.06Å; K115-L120 HydrophobicContact CB-CG 4.02Å; K115-L120 HydrophobicContact CD-CD1 3.79Å; K115-L120 HydrophobicContact CD-CD2 4.47Å; K115-L120 HydrophobicContact CD-CG 3.97Å; K115-L120 HydrophobicContact CG-CD1 4.35Å; K115-L120 HydrophobicContact CG-CG 4.15Å; K115-L120 PolarHBondContact O-N 3.12Å; P118-L120 HydrophobicContact CG-CD2 4.14Å; P118-L120 PolarHBondContact O-N 3.02Å; L120-I122 PolarHBondContact O-N 3.46Å; L120-M123 HydrophobicContact CD2-SD 4.23Å; L120-M123 PolarHBondContact O-N 3.3Å; L120-G124 PolarHBondContact O-N 3.22Å
121	A	96.7	Very high	97.1	Very high	23 Å²	23	46.7 Å²	46.7	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-45.3	-177.8	0	0	0	0	0	112.8	L112 M113 P119 S125	L112-A121 VanDerWaalsContact O-CA 3.3Å; L112-A121 WeakPolarHBondContact O-CA 3.38Å; L112-A121 WeakPolarHBondContact O-CB 3.46Å; L112-A121 PolarHBondContact O-N 3.39Å; M113-A121 HydrophobicContact CE-CB 4.34Å; M113-A121 HydrophobicContact SD-CB 3.78Å; P119-A121 VanDerWaalsContact C-N 3.3Å; P119-A121 PolarHBondContact O-N 3.43Å; A121-S125 PolarHBondContact O-N 3.13Å; A121-S125 PolarHBondContact O-OG 2.87Å
122	I	96.3	Very high	97	Very high	86 Å²	86	44.3 Å²	44.3	44%	0.441	24%	0.24	S	C	.	.	H	α-helix	trans	-75.9	-36.6	178.4	-168.2	63.3	0	0	0	110.9	P119 L120 G124 S125 I126	P119-I122 HydrophobicContact CB-CG2 3.93Å; P119-I122 HydrophobicContact CG-CG2 3.75Å; P119-I122 WeakPolarHBondContact O-CG2 3.34Å; P119-I122 PolarHBondContact O-N 2.94Å; L120-I122 PolarHBondContact O-N 3.46Å; I122-G124 PolarHBondContact O-N 2.97Å; I122-S125 WeakPolarHBondContact O-CB 3.41Å; I122-S125 PolarHBondContact O-N 3Å; I122-I126 HydrophobicContact CG1-CD1 4.09Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 3.2Å
123	M	98.1	Very high	96.8	Very high	40 Å²	40	46.6 Å²	46.6	20%	0.197	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-44.7	175.6	-69.2	174.7	70.8	0	0	111.7	F92 W95 L96 P118 P119 L120 S125 I126 W127	F92-M123 HydrophobicContact CE2-CB 4.36Å; F92-M123 HydrophobicContact CZ-CB 3.88Å; W95-M123 HydrophobicContact CH2-CE 4.11Å; W95-M123 HydrophobicContact CZ3-CE 3.78Å; L96-M123 HydrophobicContact CD2-CE 3.77Å; P118-M123 HydrophobicContact CB-SD 3.57Å; P118-M123 VanDerWaalsContact CB-SD 3.57Å; P118-M123 HydrophobicContact CG-CE 4.34Å; P118-M123 HydrophobicContact CG-SD 3.79Å; P119-M123 WeakPolarHBondContact O-CG 3.42Å; P119-M123 PolarHBondContact O-N 3.02Å; L120-M123 HydrophobicContact CD2-SD 4.23Å; L120-M123 PolarHBondContact O-N 3.3Å; M123-S125 VanDerWaalsContact C-N 3.28Å; M123-S125 PolarHBondContact O-N 2.8Å; M123-I126 PolarHBondContact O-N 3.46Å; M123-W127 VanDerWaalsContact O-CB 3.27Å; M123-W127 WeakPolarHBondContact O-CB 3.42Å; M123-W127 PolarHBondContact O-N 2.73Å
124	G	98.1	Very high	96.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-36.5	176.3	0	0	0	0	0	112.2	L120 I122 W127 F128	L120-G124 PolarHBondContact O-N 3.22Å; I122-G124 PolarHBondContact O-N 2.97Å; G124-W127 PolarHBondContact O-N 3.09Å; G124-F128 PolarHBondContact O-N 3.37Å
125	S	97.1	Very high	96.5	Very high	13 Å²	13	45 Å²	45	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-44.1	176	-56.3	0	0	0	0	112.2	A80 I81 A121 I122 M123 Y129	A80-S125 WeakPolarHBondContact CB-OG 3.44Å; A80-S125 PolarHBondContact N-OG 3.33Å; I81-S125 PolarHBondContact N-OG 3.2Å; I81-S125 VanDerWaalsContact N-OG 3.16Å; A121-S125 PolarHBondContact O-N 3.13Å; A121-S125 PolarHBondContact O-OG 2.87Å; I122-S125 WeakPolarHBondContact O-CB 3.41Å; I122-S125 PolarHBondContact O-N 3Å; M123-S125 VanDerWaalsContact C-N 3.28Å; M123-S125 PolarHBondContact O-N 2.8Å; S125-Y129 WeakPolarHBondContact O-CB 3.08Å; S125-Y129 PolarHBondContact O-N 3.41Å; S125-Y129 VanDerWaalsContact O-N 3.11Å
126	I	97.8	Very high	96.4	Very high	93 Å²	93	44.5 Å²	44.5	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-69.7	-40.1	176	-66	170.3	0	0	0	110.7	I122 M123 F128 Y129 M130	I122-I126 HydrophobicContact CG1-CD1 4.09Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 3.2Å; M123-I126 PolarHBondContact O-N 3.46Å; I126-F128 VanDerWaalsContact C-N 3.34Å; I126-F128 PolarHBondContact O-N 3.36Å; I126-Y129 WeakPolarHBondContact O-CB 3.23Å; I126-Y129 PolarHBondContact O-N 2.86Å; I126-M130 HydrophobicContact CG2-CG 3.84Å; I126-M130 VanDerWaalsContact O-CB 3.31Å; I126-M130 WeakPolarHBondContact O-CB 3.42Å; I126-M130 WeakPolarHBondContact O-CG 3.47Å; I126-M130 PolarHBondContact O-N 3.35Å
127	W	98	Very high	96.2	Very high	13 Å²	13	39.5 Å²	39.5	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-55.8	-49.9	175.4	166.1	82.2	0	0	0	110.9	L83 Q91 F92 W95 M123 G124 Y129 M130 T131	L83-W127 HydrophobicContact CD1-CE3 4.27Å; L83-W127 HydrophobicContact CD1-CZ3 3.77Å; Q91-W127 HydrophobicContact CB-CH2 3.98Å; Q91-W127 HydrophobicContact CB-CZ2 3.76Å; F92-W127 HydrophobicContact CB-CD2 4.04Å; F92-W127 HydrophobicContact CB-CE3 3.9Å; F92-W127 HydrophobicContact CB-CH2 4.25Å; F92-W127 HydrophobicContact CB-CZ2 4.36Å; F92-W127 HydrophobicContact CB-CZ3 4.03Å; F92-W127 HydrophobicContact CD2-CB 3.72Å; F92-W127 AromaticContact CD2-CD2 3.69Å; F92-W127 HydrophobicContact CD2-CD2 3.69Å; F92-W127 HydrophobicContact CD2-CE3 4.04Å; F92-W127 AromaticContact CD2-CG 3.53Å; F92-W127 HydrophobicContact CD2-CG 3.53Å; F92-W127 HydrophobicContact CE2-CB 3.79Å; F92-W127 HydrophobicContact CE2-CG 4.11Å; F92-W127 HydrophobicContact CG-CD2 4.22Å; F92-W127 HydrophobicContact CG-CE3 4.19Å; F92-W127 HydrophobicContact CG-CG 4.5Å; W95-W127 AromaticContact CD1-CD1 3.82Å; W95-W127 AromaticContact CD2-CD1 3.82Å; W95-W127 AromaticContact CG-CD1 3.53Å; W95-W127 AromaticContact CG-NE1 3.86Å; M123-W127 VanDerWaalsContact O-CB 3.27Å; M123-W127 WeakPolarHBondContact O-CB 3.42Å; M123-W127 PolarHBondContact O-N 2.73Å; G124-W127 PolarHBondContact O-N 3.09Å; W127-Y129 VanDerWaalsContact C-N 3.32Å; W127-Y129 PolarHBondContact O-N 3.41Å; W127-M130 PolarHBondContact O-N 3.12Å; W127-T131 PolarHBondContact NE1-OG1 3.23Å; W127-T131 WeakPolarHBondContact O-CB 3.21Å; W127-T131 PolarHBondContact O-N 3.08Å; W127-T131 PolarHBondContact O-OG1 3.12Å
128	F	98	Very high	96.2	Very high	24 Å²	24	33 Å²	33	11%	0.105	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-43.7	177.2	-174.6	-83.2	0	0	0	111.4	I81 L83 G124 I126 M130 M139 I172 I173	I81-F128 HydrophobicContact CD1-CD1 3.88Å; I81-F128 HydrophobicContact CD1-CE1 4.17Å; I81-F128 HydrophobicContact CG1-CB 4.05Å; I81-F128 HydrophobicContact CG1-CD1 3.46Å; I81-F128 VanDerWaalsContact CG1-CD1 3.46Å; I81-F128 HydrophobicContact CG1-CE1 4.01Å; I81-F128 HydrophobicContact CG1-CG 3.76Å; I81-F128 HydrophobicContact CG2-CB 4.19Å; L83-F128 HydrophobicContact CD1-CD2 4.41Å; G124-F128 PolarHBondContact O-N 3.37Å; I126-F128 VanDerWaalsContact C-N 3.34Å; I126-F128 PolarHBondContact O-N 3.36Å; F128-M130 VanDerWaalsContact C-N 3.28Å; F128-M130 PolarHBondContact O-N 3.17Å; F128-M139 HydrophobicContact CD1-SD 4.03Å; F128-M139 HydrophobicContact CE1-SD 3.89Å; F128-I172 HydrophobicContact CE1-CG2 4.12Å; F128-I172 HydrophobicContact CZ-CG2 4.24Å; F128-I173 HydrophobicContact CE1-CG1 4.17Å
129	Y	97	Very high	96.2	Very high	70 Å²	70	32.2 Å²	32.2	28%	0.275	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-34.2	178.7	-178.4	-105.4	0	0	0	113.4	S125 I126 W127 M139 H140	S125-Y129 WeakPolarHBondContact O-CB 3.08Å; S125-Y129 PolarHBondContact O-N 3.41Å; S125-Y129 VanDerWaalsContact O-N 3.11Å; I126-Y129 WeakPolarHBondContact O-CB 3.23Å; I126-Y129 PolarHBondContact O-N 2.86Å; W127-Y129 VanDerWaalsContact C-N 3.32Å; W127-Y129 PolarHBondContact O-N 3.41Å; Y129-M139 HydrophobicContact CD2-CB 3.45Å; Y129-M139 VanDerWaalsContact CD2-CB 3.45Å; Y129-M139 HydrophobicContact CD2-CE 3.8Å; Y129-M139 HydrophobicContact CD2-CG 4.34Å; Y129-M139 HydrophobicContact CD2-SD 4.03Å; Y129-M139 HydrophobicContact CE2-CB 3.6Å; Y129-M139 HydrophobicContact CE2-CE 4.16Å; Y129-M139 HydrophobicContact CG-CB 4.31Å; Y129-M139 PolarHBondContact O-N 2.95Å; Y129-H140 HydrophobicContact CD1-CB 4.05Å; Y129-H140 HydrophobicContact CE1-CB 3.62Å; Y129-H140 AromaticContact CE1-ND1 3.81Å; Y129-H140 PolarHBondContact O-N 3.2Å; Y129-H140 VanDerWaalsContact O-N 3.11Å
130	M	96.5	Very high	96.1	Very high	50 Å²	50	31.5 Å²	31.5	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-100.2	-4.6	-172.4	-63	-60.5	-60.7	0	0	114.6	I126 W127 F128 H140 R267	I126-M130 HydrophobicContact CG2-CG 3.84Å; I126-M130 VanDerWaalsContact O-CB 3.31Å; I126-M130 WeakPolarHBondContact O-CB 3.42Å; I126-M130 WeakPolarHBondContact O-CG 3.47Å; I126-M130 PolarHBondContact O-N 3.35Å; W127-M130 PolarHBondContact O-N 3.12Å; F128-M130 VanDerWaalsContact C-N 3.28Å; F128-M130 PolarHBondContact O-N 3.17Å; M130-H140 HydrophobicContact CE-CB 4.07Å; M130-H140 HydrophobicContact SD-CB 3.49Å; M130-H140 WeakPolarHBondContact SD-CB 3.47Å; M130-H140 VanDerWaalsContact SD-CG 3.51Å; M130-R267 PolarHBondContact O-NH2 3.25Å
131	T	96.4	Very high	95.8	Very high	25 Å²	25	31.6 Å²	31.6	15%	0.153	16%	0.16	C	C	.	.			trans	-112.6	115	-172.1	-55.3	0	0	0	0	110.9	W127 F268	W127-T131 PolarHBondContact NE1-OG1 3.23Å; W127-T131 WeakPolarHBondContact O-CB 3.21Å; W127-T131 PolarHBondContact O-N 3.08Å; W127-T131 PolarHBondContact O-OG1 3.12Å; T131-F268 HydrophobicContact CG2-CE1 4.45Å
132	P	95.1	Very high	95.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.151	C	C	.	.			trans	-67.9	143.8	171.7	24.7	-24.4	0	0	0	110.7	K136 Y259 Y264 F268	P132-K136 WeakPolarHBondContact CA-O 3.3Å; P132-Y259 HydrophobicContact CB-CE1 4.26Å; P132-Y259 HydrophobicContact CG-CD1 4.24Å; P132-Y259 HydrophobicContact CG-CE1 3.74Å; P132-Y264 HydrophobicContact CB-CD1 3.66Å; P132-Y264 HydrophobicContact CB-CE1 3.73Å; P132-Y264 HydrophobicContact CG-CD1 4Å; P132-F268 HydrophobicContact CG-CD1 4.02Å; P132-F268 HydrophobicContact CG-CD2 3.64Å; P132-F268 HydrophobicContact CG-CE1 4.04Å; P132-F268 HydrophobicContact CG-CE2 3.63Å; P132-F268 HydrophobicContact CG-CG 3.85Å; P132-F268 HydrophobicContact CG-CZ 3.86Å
133	Q	94.6	Very high	95.6	Very high	50 Å²	50	28.6 Å²	28.6	23%	0.234	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-126.6	89.9	173	-67.5	-173.3	10.8	0	0	108	N88 K136	N88-Q133 PolarHBondContact OD1-NE2 3.29Å; Q133-K136 CarbonylContact C-O 3.47Å; Q133-K136 PolarHBondContact N-O 3.36Å; Q133-K136 WeakPolarHBondContact O-CA 3.3Å; Q133-K136 WeakPolarHBondContact O-CB 3.35Å; Q133-K136 PolarHBondContact O-N 3.22Å
134	P	94.6	Very high	95.3	Very high	18 Å²	18	31.7 Å²	31.7	12%	0.117	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	130	-171.2	-30	34.9	0	0	0	113.2	K230 A257 Y259 Y264	P134-K230 HydrophobicContact CB-CB 4.2Å; P134-K230 WeakPolarHBondContact CB-O 3.09Å; P134-A257 HydrophobicContact CG-CB 4.24Å; P134-Y259 HydrophobicContact CG-CD1 3.85Å; P134-Y259 HydrophobicContact CG-CE1 3.88Å; P134-Y264 WeakPolarHBondContact CA-OH 3.41Å; P134-Y264 HydrophobicContact CB-CE2 4.42Å; P134-Y264 WeakPolarHBondContact CB-OH 3.44Å; P134-Y264 HydrophobicContact CG-CE1 4.17Å; P134-Y264 HydrophobicContact CG-CE2 4.18Å
135	P	92.8	Very high	94.6	Very high	24 Å²	24	32 Å²	32	16%	0.156	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.7	-2.2	12.7	32.8	-31	0	0	0	114.8	D224 K230 Y264	P135-D224 VanDerWaalsContact CG-OD1 3.27Å; P135-D224 WeakPolarHBondContact CG-OD1 3.42Å; P135-K230 HydrophobicContact CB-CD 4.49Å; P135-K230 HydrophobicContact CB-CG 4.39Å; P135-K230 HydrophobicContact CG-CD 4.34Å; P135-Y264 WeakPolarHBondContact CA-OH 3.34Å; P135-Y264 PolarHBondContact O-OH 3.09Å
136	K	93.5	Very high	93.3	Very high	56 Å²	56	33.5 Å²	33.5	24%	0.243	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-71.7	125.5	-177.8	-56	173.1	178.6	-175.4	0	110.7	P132 Q133 I172 L223	P132-K136 WeakPolarHBondContact CA-O 3.3Å; Q133-K136 CarbonylContact C-O 3.47Å; Q133-K136 PolarHBondContact N-O 3.36Å; Q133-K136 WeakPolarHBondContact O-CA 3.3Å; Q133-K136 WeakPolarHBondContact O-CB 3.35Å; Q133-K136 PolarHBondContact O-N 3.22Å; K136-I172 HydrophobicContact CB-CG1 4.21Å; K136-I172 HydrophobicContact CD-CG2 4.4Å; K136-I172 PolarHBondContact NZ-O 2.95Å; K136-L223 HydrophobicContact CB-CD1 4.39Å; K136-L223 HydrophobicContact CG-CD1 4.13Å
137	P	93.3	Very high	91.4	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.052	18%	0.183	C	C	.	.			trans	-70.1	174.8	169.8	33.1	-35.5	0	0	0	110.2	I142 W150 I172	P137-I142 HydrophobicContact CG-CD1 3.77Å; P137-I142 HydrophobicContact CG-CG1 3.83Å; P137-W150 HydrophobicContact CB-CB 4Å; P137-W150 HydrophobicContact CG-CB 4.36Å; P137-W150 HydrophobicContact CG-CE3 4.44Å; P137-I172 HydrophobicContact CG-CD1 4.26Å; P137-I172 WeakPolarHBondContact O-CD1 3.32Å
138	A	94.9	Very high	89.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.			trans	-69	146.1	168.2	0	0	0	0	0	109.5	H140 D141 I142	A138-H140 HydrophobicContact CB-CB 4.45Å; A138-H140 PolarHBondContact O-N 3.18Å; A138-D141 WeakPolarHBondContact CB-OD2 3.46Å; A138-D141 PolarHBondContact O-N 3.43Å; A138-D141 VanDerWaalsContact O-N 3.15Å; A138-I142 PolarHBondContact O-N 3.39Å
139	M	95.6	Very high	88.3	Confident	17 Å²	17	42 Å²	42	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-37.1	173.4	-68.9	170.9	62.2	0	0	111	F128 Y129 D141 I142 V143 T169 I172 I173	F128-M139 HydrophobicContact CD1-SD 4.03Å; F128-M139 HydrophobicContact CE1-SD 3.89Å; Y129-M139 HydrophobicContact CD2-CB 3.45Å; Y129-M139 VanDerWaalsContact CD2-CB 3.45Å; Y129-M139 HydrophobicContact CD2-CE 3.8Å; Y129-M139 HydrophobicContact CD2-CG 4.34Å; Y129-M139 HydrophobicContact CD2-SD 4.03Å; Y129-M139 HydrophobicContact CE2-CB 3.6Å; Y129-M139 HydrophobicContact CE2-CE 4.16Å; Y129-M139 HydrophobicContact CG-CB 4.31Å; Y129-M139 PolarHBondContact O-N 2.95Å; M139-D141 VanDerWaalsContact C-N 3.33Å; M139-D141 PolarHBondContact O-N 2.92Å; M139-I142 PolarHBondContact O-N 3.37Å; M139-V143 WeakPolarHBondContact O-CG2 3.45Å; M139-V143 PolarHBondContact O-N 3.13Å; M139-V143 VanDerWaalsContact O-N 3.08Å; M139-T169 HydrophobicContact CB-CG2 4.11Å; M139-T169 HydrophobicContact CE-CG2 4.42Å; M139-T169 HydrophobicContact CG-CG2 4.25Å; M139-I172 HydrophobicContact CG-CB 4.22Å; M139-I172 HydrophobicContact CG-CD1 3.91Å; M139-I172 HydrophobicContact CG-CG2 3.99Å; M139-I173 HydrophobicContact CE-CD1 3.62Å; M139-I173 HydrophobicContact CE-CG1 4.02Å; M139-I173 HydrophobicContact SD-CD1 4.12Å; M139-I173 HydrophobicContact SD-CG1 3.8Å
140	H	95	Very high	87.8	Confident	50 Å²	50	39.2 Å²	39.2	23%	0.231	21%	0.208	C	C	.	.	H	α-helix	trans	-53.2	-47.9	173.9	179.3	75.4	0	0	0	113	Y129 M130 A138 I142 V143 M144	Y129-H140 HydrophobicContact CD1-CB 4.05Å; Y129-H140 HydrophobicContact CE1-CB 3.62Å; Y129-H140 AromaticContact CE1-ND1 3.81Å; Y129-H140 PolarHBondContact O-N 3.2Å; Y129-H140 VanDerWaalsContact O-N 3.11Å; M130-H140 HydrophobicContact CE-CB 4.07Å; M130-H140 HydrophobicContact SD-CB 3.49Å; M130-H140 WeakPolarHBondContact SD-CB 3.47Å; M130-H140 VanDerWaalsContact SD-CG 3.51Å; A138-H140 HydrophobicContact CB-CB 4.45Å; A138-H140 PolarHBondContact O-N 3.18Å; H140-I142 VanDerWaalsContact C-N 3.28Å; H140-I142 PolarHBondContact O-N 2.87Å; H140-V143 PolarHBondContact O-N 3.46Å; H140-M144 WeakPolarHBondContact CE1-CG 3.3Å; H140-M144 WeakPolarHBondContact O-CB 3.45Å; H140-M144 VanDerWaalsContact O-CG 3.31Å; H140-M144 WeakPolarHBondContact O-CG 3.05Å; H140-M144 PolarHBondContact O-N 3.06Å
141	D	93.4	Very high	87.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.011	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-34.2	-174.9	-57.7	-28.2	0	0	0	111.1	A138 M139 G145 Q149 W150	A138-D141 WeakPolarHBondContact CB-OD2 3.46Å; A138-D141 PolarHBondContact O-N 3.43Å; A138-D141 VanDerWaalsContact O-N 3.15Å; M139-D141 VanDerWaalsContact C-N 3.33Å; M139-D141 PolarHBondContact O-N 2.92Å; D141-G145 PolarHBondContact O-N 2.86Å; D141-G145 VanDerWaalsContact O-N 3.12Å; D141-Q149 HydrophobicContact CB-CB 4.07Å; D141-W150 HydrophobicContact CB-CB 3.97Å
142	I	94.2	Very high	87.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-50.6	173.4	-61.4	161.3	0	0	0	110.7	P137 A138 M139 H140 M144 G145 W150 G163 P164 I165 P168 T169 I172	P137-I142 HydrophobicContact CG-CD1 3.77Å; P137-I142 HydrophobicContact CG-CG1 3.83Å; A138-I142 PolarHBondContact O-N 3.39Å; M139-I142 PolarHBondContact O-N 3.37Å; H140-I142 VanDerWaalsContact C-N 3.28Å; H140-I142 PolarHBondContact O-N 2.87Å; I142-M144 PolarHBondContact O-N 3.18Å; I142-G145 PolarHBondContact O-N 2.89Å; I142-G145 VanDerWaalsContact O-N 3.16Å; I142-W150 HydrophobicContact CB-CD2 4.47Å; I142-W150 HydrophobicContact CG1-CD2 3.95Å; I142-W150 HydrophobicContact CG1-CE3 3.81Å; I142-W150 HydrophobicContact CG1-CG 4.29Å; I142-W150 HydrophobicContact CG1-CZ3 4.2Å; I142-W150 HydrophobicContact CG2-CH2 4.32Å; I142-W150 HydrophobicContact CG2-CZ2 4.23Å; I142-G163 VanDerWaalsContact O-O 3.12Å; I142-P164 WeakPolarHBondContact O-CA 3.07Å; I142-I165 HydrophobicContact CG2-CG1 3.99Å; I142-I165 WeakPolarHBondContact CG2-O 3.11Å; I142-I165 PolarHBondContact O-N 3.22Å; I142-P168 HydrophobicContact CD1-CB 4.03Å; I142-P168 HydrophobicContact CG2-CB 4.12Å; I142-P168 HydrophobicContact CG2-CG 4.19Å; I142-T169 HydrophobicContact CB-CG2 4.34Å; I142-T169 HydrophobicContact CD1-CG2 4.28Å; I142-T169 HydrophobicContact CG2-CG2 4.3Å; I142-I172 HydrophobicContact CD1-CD1 3.3Å; I142-I172 HydrophobicContact CD1-CG1 4.32Å
143	V	93.4	Very high	86.9	Confident	46 Å²	46	39.7 Å²	39.7	28%	0.279	21%	0.207	S	C	.	.	H	α-helix	trans	-69.1	-35.4	-174.6	175.2	0	0	0	0	111.6	M139 H140 G145 P164 T169	M139-V143 WeakPolarHBondContact O-CG2 3.45Å; M139-V143 PolarHBondContact O-N 3.13Å; M139-V143 VanDerWaalsContact O-N 3.08Å; H140-V143 PolarHBondContact O-N 3.46Å; V143-G145 VanDerWaalsContact C-N 3.27Å; V143-P164 WeakPolarHBondContact O-CA 3.3Å; V143-P164 WeakPolarHBondContact O-CB 3.26Å; V143-T169 HydrophobicContact CG2-CG2 3.9Å
144	M	91.1	Very high	86.8	Confident	105 Å²	105	42.8 Å²	42.8	52%	0.517	23%	0.225	S	C	.	.	H	α-helix	trans	-75.3	-19	175.3	-65.9	-53.9	-61.8	0	0	112.6	H140 I142 T146	H140-M144 WeakPolarHBondContact CE1-CG 3.3Å; H140-M144 WeakPolarHBondContact O-CB 3.45Å; H140-M144 VanDerWaalsContact O-CG 3.31Å; H140-M144 WeakPolarHBondContact O-CG 3.05Å; H140-M144 PolarHBondContact O-N 3.06Å; I142-M144 PolarHBondContact O-N 3.18Å; M144-T146 HydrophobicContact CB-CG2 4.07Å; M144-T146 PolarHBondContact O-N 3.12Å
145	G	84.7	Confident	86.9	Confident	6 Å²	6	48.5 Å²	48.5	6%	0.062	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	23.7	179.4	0	0	0	0	0	113.7	D141 I142 V143 H147	D141-G145 PolarHBondContact O-N 2.86Å; D141-G145 VanDerWaalsContact O-N 3.12Å; I142-G145 PolarHBondContact O-N 2.89Å; I142-G145 VanDerWaalsContact O-N 3.16Å; V143-G145 VanDerWaalsContact C-N 3.27Å; G145-H147 PolarHBondContact O-N 2.99Å
146	T	70.2	Confident	87	Confident	46 Å²	46	47.4 Å²	47.4	28%	0.282	24%	0.241	S	C	.	.			trans	-66.5	102.5	-178.1	37.7	0	0	0	0	108.3	M144 S148 Q149	M144-T146 HydrophobicContact CB-CG2 4.07Å; M144-T146 PolarHBondContact O-N 3.12Å; T146-S148 PolarHBondContact O-N 3.13Å; T146-Q149 VanDerWaalsContact CB-OE1 3.29Å; T146-Q149 PolarHBondContact O-N 3.04Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.05Å; T146-Q149 PolarHBondContact OG1-OE1 2.74Å
147	H	56.7	Low	87	Confident	161 Å²	161	50.8 Å²	50.8	75%	0.745	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-13.8	-167.8	-74.3	-68	0	0	0	115.4	G145	G145-H147 PolarHBondContact O-N 2.99Å
148	S	62.4	Low	87.1	Confident	93 Å²	93	54.8 Å²	54.8	65%	0.65	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-4	174.2	54.2	0	0	0	0	114.6	T146	T146-S148 PolarHBondContact O-N 3.13Å
149	Q	70	Confident	87.2	Confident	53 Å²	53	56.4 Å²	56.4	25%	0.248	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-13.6	-167	-65	-174.8	-34.5	0	0	114.8	D141 T146 P265	D141-Q149 HydrophobicContact CB-CB 4.07Å; T146-Q149 VanDerWaalsContact CB-OE1 3.29Å; T146-Q149 PolarHBondContact O-N 3.04Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.05Å; T146-Q149 PolarHBondContact OG1-OE1 2.74Å; Q149-P265 HydrophobicContact CB-CG 3.99Å; Q149-P265 HydrophobicContact CG-CB 4.34Å; Q149-P265 HydrophobicContact CG-CG 3.93Å
150	W	85.8	Confident	87.1	Confident	12 Å²	12	56.5 Å²	56.5	5%	0.045	31%	0.308	C	S	.	.			trans	-138.6	126.6	171.9	90	-84.8	0	0	0	112.2	P137 D141 I142 P152 Y161 G163 I165 P168	P137-W150 HydrophobicContact CB-CB 4Å; P137-W150 HydrophobicContact CG-CB 4.36Å; P137-W150 HydrophobicContact CG-CE3 4.44Å; D141-W150 HydrophobicContact CB-CB 3.97Å; I142-W150 HydrophobicContact CB-CD2 4.47Å; I142-W150 HydrophobicContact CG1-CD2 3.95Å; I142-W150 HydrophobicContact CG1-CE3 3.81Å; I142-W150 HydrophobicContact CG1-CG 4.29Å; I142-W150 HydrophobicContact CG1-CZ3 4.2Å; I142-W150 HydrophobicContact CG2-CH2 4.32Å; I142-W150 HydrophobicContact CG2-CZ2 4.23Å; W150-P152 HydrophobicContact CE3-CB 4.08Å; W150-P152 HydrophobicContact CE3-CG 4.41Å; W150-P152 HydrophobicContact CH2-CB 3.71Å; W150-P152 HydrophobicContact CH2-CG 4.08Å; W150-P152 HydrophobicContact CZ3-CB 3.42Å; W150-P152 VanDerWaalsContact CZ3-CB 3.42Å; W150-P152 HydrophobicContact CZ3-CG 4.04Å; W150-P152 WeakPolarHBondContact O-CD 3.16Å; W150-Y161 VanDerWaalsContact CH2-O 3.23Å; W150-Y161 WeakPolarHBondContact CH2-O 3.41Å; W150-G163 WeakPolarHBondContact CZ2-O 3.25Å; W150-G163 PolarHBondContact NE1-O 3.16Å; W150-I165 HydrophobicContact CH2-CD1 3.98Å; W150-I165 HydrophobicContact CH2-CG1 4.32Å; W150-I165 HydrophobicContact CZ2-CD1 4.11Å; W150-I165 HydrophobicContact CZ2-CG1 4.1Å; W150-P168 HydrophobicContact CH2-CG 4.23Å
151	Y	87.7	Confident	87.1	Confident	75 Å²	75	54.6 Å²	54.6	29%	0.294	30%	0.299	S	S	.	.			trans	-108.1	105.7	178.7	176.2	-119.5	0	0	0	110.4	G153 D154 I226	Y151-G153 VanDerWaalsContact CZ-CA 3.41Å; Y151-G153 PolarHBondContact O-N 3.34Å; Y151-D154 VanDerWaalsContact OH-CG 3.29Å; Y151-D154 PolarHBondContact OH-N 3.13Å; Y151-D154 PolarHBondContact OH-OD1 2.71Å; Y151-D154 PolarHBondContact OH-OD2 2.92Å; Y151-I226 HydrophobicContact CD1-CG2 4.07Å; Y151-I226 HydrophobicContact CE1-CG2 3.83Å
152	P	90.5	Very high	87	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.039	31%	0.312	C	S	.	.			trans	-71.2	-10.4	178.4	23.6	-31.9	0	0	0	114.5	W150 N156 K157 Y161 I226	W150-P152 HydrophobicContact CE3-CB 4.08Å; W150-P152 HydrophobicContact CE3-CG 4.41Å; W150-P152 HydrophobicContact CH2-CB 3.71Å; W150-P152 HydrophobicContact CH2-CG 4.08Å; W150-P152 HydrophobicContact CZ3-CB 3.42Å; W150-P152 VanDerWaalsContact CZ3-CB 3.42Å; W150-P152 HydrophobicContact CZ3-CG 4.04Å; W150-P152 WeakPolarHBondContact O-CD 3.16Å; P152-N156 HydrophobicContact CB-CB 3.81Å; P152-N156 VanDerWaalsContact O-CB 3.23Å; P152-N156 WeakPolarHBondContact O-CB 3.31Å; P152-N156 PolarHBondContact O-ND2 3.19Å; P152-K157 HydrophobicContact CG-CB 4.11Å; P152-Y161 WeakPolarHBondContact CB-O 3.5Å; P152-Y161 WeakPolarHBondContact CG-O 3.33Å; P152-I226 VanDerWaalsContact C-CD1 3.5Å; P152-I226 WeakPolarHBondContact O-CD1 3.31Å
153	G	91	Very high	86.6	Confident	5 Å²	5	56.7 Å²	56.7	5%	0.052	31%	0.314	C	S	.	.			trans	87.6	147.5	-164	0	0	0	0	0	112.3	Y151 K155 N156 K157	Y151-G153 VanDerWaalsContact CZ-CA 3.41Å; Y151-G153 PolarHBondContact O-N 3.34Å; G153-K155 VanDerWaalsContact C-N 3.32Å; G153-K155 PolarHBondContact O-N 2.74Å; G153-N156 PolarHBondContact O-N 2.03Å; G153-K157 WeakPolarHBondContact O-CB 3.39Å; G153-K157 PolarHBondContact O-N 3.19Å
154	D	92.7	Very high	86.6	Confident	115 Å²	115	59 Å²	59	62%	0.615	33%	0.33	S	S	*	.	H	α-helix	trans	-57.4	-41.1	-175.9	-65.6	-38.1	0	0	0	113.5	Y151 K157 A158	Y151-D154 VanDerWaalsContact OH-CG 3.29Å; Y151-D154 PolarHBondContact OH-N 3.13Å; Y151-D154 PolarHBondContact OH-OD1 2.71Å; Y151-D154 PolarHBondContact OH-OD2 2.92Å; D154-K157 PolarHBondContact O-N 2.96Å; D154-A158 VanDerWaalsContact O-CB 3.3Å; D154-A158 WeakPolarHBondContact O-CB 3.09Å; D154-A158 PolarHBondContact O-N 3.12Å
155	K	96.1	Very high	86.7	Confident	139 Å²	139	54.8 Å²	54.8	60%	0.604	31%	0.31	S	S	*	.	H	α-helix	trans	-65.1	-44.3	179.7	-67.7	-176.9	178.9	179.4	0	112.3	G153 A158 A159 P220 T221	G153-K155 VanDerWaalsContact C-N 3.32Å; G153-K155 PolarHBondContact O-N 2.74Å; K155-A158 PolarHBondContact O-N 3.2Å; K155-A159 PolarHBondContact O-N 3.28Å; K155-P220 HydrophobicContact CB-CB 4.26Å; K155-T221 HydrophobicContact CB-CG2 4.47Å; K155-T221 HydrophobicContact CD-CG2 3.81Å
156	N	95.5	Very high	87.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-42.8	177.3	-72.4	-27.4	0	0	0	110.8	P152 G153 A158 A159 G160 Y161 M219 P220 T221	P152-N156 HydrophobicContact CB-CB 3.81Å; P152-N156 VanDerWaalsContact O-CB 3.23Å; P152-N156 WeakPolarHBondContact O-CB 3.31Å; P152-N156 PolarHBondContact O-ND2 3.19Å; G153-N156 PolarHBondContact O-N 2.03Å; N156-A158 VanDerWaalsContact C-N 3.34Å; N156-A158 PolarHBondContact O-N 3.18Å; N156-A159 CarbonylContact O-C 3.49Å; N156-A159 PolarHBondContact O-N 2.84Å; N156-A159 VanDerWaalsContact O-N 3.13Å; N156-G160 PolarHBondContact O-N 2.84Å; N156-Y161 WeakPolarHBondContact O-CB 3.48Å; N156-Y161 PolarHBondContact O-N 3.47Å; N156-M219 HydrophobicContact CB-CE 4.45Å; N156-M219 VanDerWaalsContact ND2-CE 3.26Å; N156-M219 WeakPolarHBondContact ND2-CE 3.21Å; N156-P220 WeakPolarHBondContact OD1-CD 3.48Å; N156-T221 PolarHBondContact ND2-O 3.37Å; N156-T221 PolarHBondContact ND2-OG1 3.49Å; N156-T221 VanDerWaalsContact ND2-OG1 3.15Å; N156-T221 PolarHBondContact OD1-N 3.28Å; N156-T221 VanDerWaalsContact OD1-N 3.12Å; N156-T221 PolarHBondContact OD1-O 3.08Å; N156-T221 PolarHBondContact OD1-OG1 3.44Å
157	K	93.7	Very high	88.5	Confident	127 Å²	127	53.7 Å²	53.7	55%	0.552	30%	0.299	S	S	*	.	H	α-helix	trans	-57.6	-45.8	173.9	-173.3	176.7	178.2	-179.8	0	111.6	P152 G153 D154 A159 G160	P152-K157 HydrophobicContact CG-CB 4.11Å; G153-K157 WeakPolarHBondContact O-CB 3.39Å; G153-K157 PolarHBondContact O-N 3.19Å; D154-K157 PolarHBondContact O-N 2.96Å; K157-A159 VanDerWaalsContact C-N 3.28Å; K157-A159 PolarHBondContact O-N 3.35Å; K157-G160 WeakPolarHBondContact O-CA 3.37Å; K157-G160 PolarHBondContact O-N 3.16Å
158	A	95.4	Very high	90.3	Very high	92 Å²	92	46 Å²	46	76%	0.76	26%	0.264	S	S	*	.	H	α-helix	trans	-63.6	-31.9	177	0	0	0	0	0	112.9	D154 K155 N156 G160	D154-A158 VanDerWaalsContact O-CB 3.3Å; D154-A158 WeakPolarHBondContact O-CB 3.09Å; D154-A158 PolarHBondContact O-N 3.12Å; K155-A158 PolarHBondContact O-N 3.2Å; N156-A158 VanDerWaalsContact C-N 3.34Å; N156-A158 PolarHBondContact O-N 3.18Å; A158-G160 PolarHBondContact O-N 2.93Å
159	A	96.1	Very high	91.9	Very high	35 Å²	35	41.7 Å²	41.7	29%	0.289	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	0.3	171.4	0	0	0	0	0	113.7	K155 N156 K157 Y161 R212 P220	K155-A159 PolarHBondContact O-N 3.28Å; N156-A159 CarbonylContact O-C 3.49Å; N156-A159 PolarHBondContact O-N 2.84Å; N156-A159 VanDerWaalsContact O-N 3.13Å; K157-A159 VanDerWaalsContact C-N 3.28Å; K157-A159 PolarHBondContact O-N 3.35Å; A159-Y161 HydrophobicContact CB-CD2 4Å; A159-Y161 HydrophobicContact CB-CE2 4.48Å; A159-R212 PolarHBondContact O-NH1 3.16Å; A159-P220 HydrophobicContact CB-CG 3.66Å
160	G	94.1	Very high	93.2	Very high	18 Å²	18	39.1 Å²	39.1	19%	0.186	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	13.9	179.7	0	0	0	0	0	114.3	N156 K157 A158 S162 H213	N156-G160 PolarHBondContact O-N 2.84Å; K157-G160 WeakPolarHBondContact O-CA 3.37Å; K157-G160 PolarHBondContact O-N 3.16Å; A158-G160 PolarHBondContact O-N 2.93Å; G160-S162 PolarHBondContact O-N 3.31Å; G160-H213 PolarHBondContact O-NE2 2.78Å
161	Y	94.5	Very high	93.6	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.039	22%	0.221	C	C	.	.			trans	-82.7	65	171.3	-74.8	-86.9	0	0	0	110.1	W150 P152 N156 A159 I165 P168 R212 T215 G218 M219	W150-Y161 VanDerWaalsContact CH2-O 3.23Å; W150-Y161 WeakPolarHBondContact CH2-O 3.41Å; P152-Y161 WeakPolarHBondContact CB-O 3.5Å; P152-Y161 WeakPolarHBondContact CG-O 3.33Å; N156-Y161 WeakPolarHBondContact O-CB 3.48Å; N156-Y161 PolarHBondContact O-N 3.47Å; A159-Y161 HydrophobicContact CB-CD2 4Å; A159-Y161 HydrophobicContact CB-CE2 4.48Å; Y161-I165 HydrophobicContact CD1-CD1 3.96Å; Y161-P168 HydrophobicContact CD1-CG 4.35Å; Y161-R212 PolarHBondContact OH-O 3.34Å; Y161-R212 VanDerWaalsContact OH-O 3.05Å; Y161-T215 VanDerWaalsContact CE1-O 3.28Å; Y161-T215 WeakPolarHBondContact CE1-O 3.46Å; Y161-T215 PolarHBondContact OH-O 3.4Å; Y161-G218 VanDerWaalsContact CE2-O 3.24Å; Y161-G218 WeakPolarHBondContact CE2-O 3.23Å; Y161-G218 WeakPolarHBondContact OH-CA 3.49Å; Y161-G218 PolarHBondContact OH-N 2.91Å; Y161-G218 VanDerWaalsContact OH-N 3.12Å; Y161-M219 HydrophobicContact CD1-CG 3.36Å; Y161-M219 HydrophobicContact CD1-SD 4.07Å; Y161-M219 HydrophobicContact CD2-CG 3.8Å; Y161-M219 HydrophobicContact CE1-CG 3.63Å; Y161-M219 HydrophobicContact CE2-CG 4.03Å; Y161-M219 HydrophobicContact CG-CG 3.47Å; Y161-M219 VanDerWaalsContact CG-CG 3.47Å; Y161-M219 HydrophobicContact CG-SD 4.47Å
162	S	90.4	Very high	93.9	Very high	41 Å²	41	35.9 Å²	35.9	29%	0.287	21%	0.21	S	C	.	.			trans	-146.6	157.1	178.4	61.6	0	0	0	0	110.1	G160	G160-S162 PolarHBondContact O-N 3.31Å
163	G	86.7	Confident	94.1	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	22%	0.218	C	C	.	.	S	Bend	trans	86.3	-166	-177	0	0	0	0	0	112.6	I142 W150 I165	I142-G163 VanDerWaalsContact O-O 3.12Å; W150-G163 WeakPolarHBondContact CZ2-O 3.25Å; W150-G163 PolarHBondContact NE1-O 3.16Å; G163-I165 PolarHBondContact O-N 3.27Å; G163-I165 VanDerWaalsContact O-N 3.16Å
164	P	92.2	Very high	94.2	Very high	95 Å²	95	42 Å²	42	62%	0.617	24%	0.24	S	C	*	.	S	Bend	trans	-76.7	99.3	-176.2	29.8	-32.7	0	0	0	110.4	I142 V143	I142-P164 WeakPolarHBondContact O-CA 3.07Å; V143-P164 WeakPolarHBondContact O-CA 3.3Å; V143-P164 WeakPolarHBondContact O-CB 3.26Å
165	I	94.5	Very high	94.1	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	24%	0.238	C	C	.	.			trans	-136.3	162.8	-176.8	58.8	175.3	0	0	0	112	I142 W150 Y161 G163 P168 H213	I142-I165 HydrophobicContact CG2-CG1 3.99Å; I142-I165 WeakPolarHBondContact CG2-O 3.11Å; I142-I165 PolarHBondContact O-N 3.22Å; W150-I165 HydrophobicContact CH2-CD1 3.98Å; W150-I165 HydrophobicContact CH2-CG1 4.32Å; W150-I165 HydrophobicContact CZ2-CD1 4.11Å; W150-I165 HydrophobicContact CZ2-CG1 4.1Å; Y161-I165 HydrophobicContact CD1-CD1 3.96Å; G163-I165 PolarHBondContact O-N 3.27Å; G163-I165 VanDerWaalsContact O-N 3.16Å; I165-P168 HydrophobicContact CD1-CG 3.62Å; I165-P168 HydrophobicContact CG1-CG 4Å; I165-H213 HydrophobicContact CB-CB 4.03Å; I165-H213 HydrophobicContact CG2-CB 3.68Å
166	F	96.1	Very high	93.8	Very high	29 Å²	29	36.4 Å²	36.4	13%	0.127	22%	0.216	C	C	.	.	S	Bend	trans	-101.1	-42.2	-174.6	177	-104.9	0	0	0	113.3	T169 R193 I194 F197 H213 L214	F166-T169 WeakPolarHBondContact O-CB 3.25Å; F166-T169 WeakPolarHBondContact O-CG2 3.12Å; F166-T169 PolarHBondContact O-N 3.42Å; F166-T169 PolarHBondContact O-OG1 3.17Å; F166-R193 HydrophobicContact CE1-CB 4.32Å; F166-R193 HydrophobicContact CZ-CB 4.12Å; F166-I194 HydrophobicContact CD1-CG1 4.47Å; F166-I194 HydrophobicContact CE1-CG1 4.12Å; F166-F197 HydrophobicContact CB-CD1 4.2Å; F166-F197 HydrophobicContact CB-CE1 3.94Å; F166-F197 HydrophobicContact CB-CZ 4.25Å; F166-F197 HydrophobicContact CD1-CB 4.36Å; F166-F197 HydrophobicContact CD1-CD1 4.09Å; F166-F197 HydrophobicContact CD1-CG 4.21Å; F166-F197 HydrophobicContact CD2-CB 4.27Å; F166-F197 HydrophobicContact CD2-CD1 4.02Å; F166-F197 AromaticContact CD2-CD2 3.61Å; F166-F197 HydrophobicContact CD2-CD2 3.61Å; F166-F197 HydrophobicContact CD2-CE1 4.24Å; F166-F197 AromaticContact CD2-CE2 3.87Å; F166-F197 HydrophobicContact CD2-CE2 3.87Å; F166-F197 AromaticContact CD2-CG 3.69Å; F166-F197 HydrophobicContact CD2-CG 3.69Å; F166-F197 HydrophobicContact CD2-CZ 4.18Å; F166-F197 HydrophobicContact CE1-CB 3.96Å; F166-F197 HydrophobicContact CE1-CG 4.27Å; F166-F197 HydrophobicContact CE2-CB 3.84Å; F166-F197 HydrophobicContact CE2-CD1 4.45Å; F166-F197 AromaticContact CE2-CD2 3.68Å; F166-F197 HydrophobicContact CE2-CD2 3.68Å; F166-F197 HydrophobicContact CE2-CE2 4.35Å; F166-F197 AromaticContact CE2-CG 3.73Å; F166-F197 HydrophobicContact CE2-CG 3.73Å; F166-F197 AromaticContact CG-CD1 3.83Å; F166-F197 HydrophobicContact CG-CD1 3.83Å; F166-F197 HydrophobicContact CG-CD2 4.27Å; F166-F197 HydrophobicContact CG-CE1 4.04Å; F166-F197 HydrophobicContact CG-CE2 4.47Å; F166-F197 AromaticContact CG-CG 3.95Å; F166-F197 HydrophobicContact CG-CG 3.95Å; F166-F197 HydrophobicContact CG-CZ 4.36Å; F166-F197 HydrophobicContact CZ-CB 3.67Å; F166-F197 HydrophobicContact CZ-CD2 4.39Å; F166-F197 HydrophobicContact CZ-CG 4.03Å; F166-H213 PolarHBondContact N-O 3.36Å; F166-L214 HydrophobicContact CB-CD2 3.99Å; F166-L214 VanDerWaalsContact CD1-O 3.32Å; F166-L214 WeakPolarHBondContact CD1-O 3.42Å
167	G	96.1	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-49.9	-48.9	-169.7	0	0	0	0	0	115.7	T169 S170 H213 L214	G167-T169 PolarHBondContact O-N 3.2Å; G167-S170 WeakPolarHBondContact O-CB 3.2Å; G167-S170 PolarHBondContact O-N 3.04Å; G167-H213 WeakPolarHBondContact CA-O 3.34Å; G167-H213 PolarHBondContact N-O 2.82Å; G167-L214 VanDerWaalsContact CA-O 3.3Å; G167-L214 WeakPolarHBondContact CA-O 3.33Å
168	P	95.5	Very high	93.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-17.6	-180	-22.1	32.1	0	0	0	114.4	I142 W150 Y161 I165 S170 L171 I172 M219	I142-P168 HydrophobicContact CD1-CB 4.03Å; I142-P168 HydrophobicContact CG2-CB 4.12Å; I142-P168 HydrophobicContact CG2-CG 4.19Å; W150-P168 HydrophobicContact CH2-CG 4.23Å; Y161-P168 HydrophobicContact CD1-CG 4.35Å; I165-P168 HydrophobicContact CD1-CG 3.62Å; I165-P168 HydrophobicContact CG1-CG 4Å; P168-S170 VanDerWaalsContact C-N 3.28Å; P168-S170 PolarHBondContact O-N 3.4Å; P168-L171 WeakPolarHBondContact O-CB 3.19Å; P168-L171 PolarHBondContact O-N 3.45Å; P168-I172 PolarHBondContact O-N 3.02Å; P168-M219 HydrophobicContact CB-SD 4.05Å; P168-M219 HydrophobicContact CG-SD 3.86Å
169	T	96.1	Very high	93.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-28.8	174.5	70.7	0	0	0	0	112.3	M139 I142 V143 F166 G167 L171 I172 I173	M139-T169 HydrophobicContact CB-CG2 4.11Å; M139-T169 HydrophobicContact CE-CG2 4.42Å; M139-T169 HydrophobicContact CG-CG2 4.25Å; I142-T169 HydrophobicContact CB-CG2 4.34Å; I142-T169 HydrophobicContact CD1-CG2 4.28Å; I142-T169 HydrophobicContact CG2-CG2 4.3Å; V143-T169 HydrophobicContact CG2-CG2 3.9Å; F166-T169 WeakPolarHBondContact O-CB 3.25Å; F166-T169 WeakPolarHBondContact O-CG2 3.12Å; F166-T169 PolarHBondContact O-N 3.42Å; F166-T169 PolarHBondContact O-OG1 3.17Å; G167-T169 PolarHBondContact O-N 3.2Å; T169-L171 VanDerWaalsContact C-N 3.33Å; T169-L171 PolarHBondContact O-N 3.15Å; T169-I172 WeakPolarHBondContact O-CB 3.24Å; T169-I172 PolarHBondContact O-N 2.95Å; T169-I173 WeakPolarHBondContact O-CG1 3.22Å; T169-I173 PolarHBondContact O-N 2.93Å; T169-I173 VanDerWaalsContact O-N 3.08Å
170	S	96.1	Very high	93.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-32.1	174.1	-60.1	0	0	0	0	112.6	G167 P168 N174 N175 E176	G167-S170 WeakPolarHBondContact O-CB 3.2Å; G167-S170 PolarHBondContact O-N 3.04Å; P168-S170 VanDerWaalsContact C-N 3.28Å; P168-S170 PolarHBondContact O-N 3.4Å; S170-N174 PolarHBondContact O-N 3.04Å; S170-N174 VanDerWaalsContact O-N 3.16Å; S170-N175 PolarHBondContact O-N 3.39Å; S170-E176 VanDerWaalsContact CB-O 3.31Å; S170-E176 WeakPolarHBondContact CB-O 3.3Å; S170-E176 PolarHBondContact O-N 3.22Å
171	L	93.8	Very high	93.6	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-43.8	169.8	-81.7	168	0	0	0	111.6	P168 T169 N175 C177 C216 M219 L223	P168-L171 WeakPolarHBondContact O-CB 3.19Å; P168-L171 PolarHBondContact O-N 3.45Å; T169-L171 VanDerWaalsContact C-N 3.33Å; T169-L171 PolarHBondContact O-N 3.15Å; L171-N175 VanDerWaalsContact CD2-OD1 3.25Å; L171-N175 WeakPolarHBondContact CD2-OD1 3.49Å; L171-N175 WeakPolarHBondContact O-CA 3.36Å; L171-N175 PolarHBondContact O-N 3.3Å; L171-C177 WeakPolarHBondContact CD2-SG 3.22Å; L171-C177 WeakPolarHBondContact CG-SG 3.44Å; L171-C216 HydrophobicContact CD1-CB 3.76Å; L171-C216 HydrophobicContact CG-CB 3.84Å; L171-M219 HydrophobicContact CD1-CE 3.75Å; L171-M219 HydrophobicContact CD1-SD 3.45Å; L171-M219 WeakPolarHBondContact CD1-SD 3.16Å; L171-L223 HydrophobicContact CB-CD1 4.21Å; L171-L223 HydrophobicContact CD1-CG 4.34Å
172	I	95.2	Very high	93.4	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-49.4	-179.1	-65.6	177.5	0	0	0	110.2	F128 K136 P137 M139 I142 P168 T169 L223	F128-I172 HydrophobicContact CE1-CG2 4.12Å; F128-I172 HydrophobicContact CZ-CG2 4.24Å; K136-I172 HydrophobicContact CB-CG1 4.21Å; K136-I172 HydrophobicContact CD-CG2 4.4Å; K136-I172 PolarHBondContact NZ-O 2.95Å; P137-I172 HydrophobicContact CG-CD1 4.26Å; P137-I172 WeakPolarHBondContact O-CD1 3.32Å; M139-I172 HydrophobicContact CG-CB 4.22Å; M139-I172 HydrophobicContact CG-CD1 3.91Å; M139-I172 HydrophobicContact CG-CG2 3.99Å; I142-I172 HydrophobicContact CD1-CD1 3.3Å; I142-I172 HydrophobicContact CD1-CG1 4.32Å; P168-I172 PolarHBondContact O-N 3.02Å; T169-I172 WeakPolarHBondContact O-CB 3.24Å; T169-I172 PolarHBondContact O-N 2.95Å; I172-L223 HydrophobicContact CG1-CD1 3.93Å
173	I	95.3	Very high	93.5	Very high	40 Å²	40	49.6 Å²	49.6	21%	0.205	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-51.2	-173.2	-63.1	161.9	0	0	0	111.7	I81 F128 M139 T169	I81-I173 HydrophobicContact CD1-CD1 4.48Å; I81-I173 HydrophobicContact CD1-CG1 4.32Å; F128-I173 HydrophobicContact CE1-CG1 4.17Å; M139-I173 HydrophobicContact CE-CD1 3.62Å; M139-I173 HydrophobicContact CE-CG1 4.02Å; M139-I173 HydrophobicContact SD-CD1 4.12Å; M139-I173 HydrophobicContact SD-CG1 3.8Å; T169-I173 WeakPolarHBondContact O-CG1 3.22Å; T169-I173 PolarHBondContact O-N 2.93Å; T169-I173 VanDerWaalsContact O-N 3.08Å
174	N	91.4	Very high	93.5	Very high	99 Å²	99	54.7 Å²	54.7	53%	0.529	30%	0.298	S	S	.	.	H	α-helix	trans	-151	20.4	-171.8	-157.5	35.3	0	0	0	115	S170 E176	S170-N174 PolarHBondContact O-N 3.04Å; S170-N174 VanDerWaalsContact O-N 3.16Å; N174-E176 HydrophobicContact CB-CG 3.96Å; N174-E176 PolarHBondContact ND2-OE1 3.19Å; N174-E176 PolarHBondContact O-N 2.86Å
175	N	91.1	Very high	93.1	Very high	106 Å²	106	52.3 Å²	52.3	57%	0.567	28%	0.282	S	S	*	.			trans	53.9	35.8	-177.9	-162.2	38	0	0	0	113.4	S170 L171	S170-N175 PolarHBondContact O-N 3.39Å; L171-N175 VanDerWaalsContact CD2-OD1 3.25Å; L171-N175 WeakPolarHBondContact CD2-OD1 3.49Å; L171-N175 WeakPolarHBondContact O-CA 3.36Å; L171-N175 PolarHBondContact O-N 3.3Å
176	E	89.2	Confident	92.7	Very high	32 Å²	32	52.1 Å²	52.1	15%	0.15	29%	0.285	C	S	.	.			trans	-100	112.8	-177	-68.1	167.2	169.8	0	0	110.6	S170 N174 G189 E190 R193 C216	S170-E176 VanDerWaalsContact CB-O 3.31Å; S170-E176 WeakPolarHBondContact CB-O 3.3Å; S170-E176 PolarHBondContact O-N 3.22Å; N174-E176 HydrophobicContact CB-CG 3.96Å; N174-E176 PolarHBondContact ND2-OE1 3.19Å; N174-E176 PolarHBondContact O-N 2.86Å; E176-G189 WeakPolarHBondContact OE1-CA 3.18Å; E176-G189 VanDerWaalsContact OE2-C 3.3Å; E176-G189 WeakPolarHBondContact OE2-CA 3.44Å; E176-E190 HydrophobicContact CB-CB 3.95Å; E176-E190 PolarHBondContact OE2-N 2.95Å; E176-R193 IonicContact OE1-NH2 3.32Å; E176-R193 IonicContact OE2-CZ 2.99Å; E176-R193 IonicContact OE2-NE 2.77Å; E176-R193 PolarHBondContact OE2-NE 2.9Å; E176-R193 IonicContact OE2-NH2 3.23Å; E176-R193 PolarHBondContact OE2-NH2 3.45Å; E176-R193 VanDerWaalsContact OE2-NH2 3.12Å; E176-C216 PolarHBondContact O-SG 2.92Å
177	C	93.3	Very high	92.4	Very high	32 Å²	32	52.1 Å²	52.1	22%	0.216	29%	0.292	C	S	.	.			trans	-133.3	45.8	-180	-64.3	0	0	0	0	114	L171 E190 C216 K217	L171-C177 WeakPolarHBondContact CD2-SG 3.22Å; L171-C177 WeakPolarHBondContact CG-SG 3.44Å; C177-E190 WeakPolarHBondContact CA-OE2 3.15Å; C177-C216 WeakPolarHBondContact CA-SG 3.42Å; C177-C216 HydrophobicContact CB-CB 4.11Å; C177-C216 WeakPolarHBondContact CB-SG 3.44Å; C177-C216 WeakPolarHBondContact SG-CB 3.31Å; C177-C216 CovalentContact SG-SG 2.03Å; C177-C216 PolarHBondContact SG-SG 3.12Å; C177-K217 WeakPolarHBondContact O-CB 3.36Å; C177-K217 WeakPolarHBondContact O-CG 3.49Å
178	N	93.9	Very high	92	Very high	126 Å²	126	57.1 Å²	57.1	67%	0.674	33%	0.325	S	S	*	.			trans	-91.2	-14.7	-176.4	-63.1	-47.1	0	0	0	113.9	E190 K217	N178-E190 PolarHBondContact N-OE2 3.1Å; N178-K217 WeakPolarHBondContact O-CD 3.23Å; N178-K217 PolarHBondContact O-NZ 2.94Å
179	G	94.8	Very high	91.8	Very high	6 Å²	6	57.9 Å²	57.9	6%	0.062	33%	0.333	C	S	.	.			trans	87.8	-174	-175.7	0	0	0	0	0	113.6	E190 S191 T215	G179-E190 WeakPolarHBondContact CA-OE2 3.49Å; G179-E190 PolarHBondContact N-OE2 2.87Å; G179-S191 WeakPolarHBondContact O-CA 3.48Å; G179-S191 PolarHBondContact O-N 2.86Å; G179-T215 WeakPolarHBondContact CA-OG1 3.45Å
180	E	95.3	Very high	91.8	Very high	74 Å²	74	58 Å²	58	35%	0.346	33%	0.333	S	S	.	.			trans	-87.3	133.1	174.9	-172.6	179	-178.8	0	0	111.3	I194 K195 K198	E180-I194 HydrophobicContact CB-CB 4.4Å; E180-I194 HydrophobicContact CB-CD1 3.96Å; E180-I194 HydrophobicContact CB-CG2 4.11Å; E180-I194 HydrophobicContact CG-CG2 4.18Å; E180-I194 WeakPolarHBondContact OE2-CG2 3.47Å; E180-K195 HydrophobicContact CG-CD 4.37Å; E180-K195 HydrophobicContact CG-CG 4Å; E180-K195 VanDerWaalsContact OE1-CE 3.3Å; E180-K195 WeakPolarHBondContact OE1-CE 3.47Å; E180-K195 WeakPolarHBondContact OE1-CG 3.21Å; E180-K198 IonicContact OE1-NZ 2.73Å; E180-K198 WeakPolarHBondContact OE2-CE 3.39Å; E180-K198 IonicContact OE2-NZ 2.84Å; E180-K198 PolarHBondContact OE2-NZ 3.37Å
181	D	93.6	Very high	91.7	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.374	34%	0.335	S	S	.	.			trans	-78.7	147	173.9	-60.4	-55.1	0	0	0	111.7	K183 G187 S191 K195	D181-K183 PolarHBondContact O-N 3.3Å; D181-G187 WeakPolarHBondContact OD2-CA 2.95Å; D181-G187 PolarHBondContact OD2-N 3.29Å; D181-S191 WeakPolarHBondContact CB-OG 3.3Å; D181-S191 VanDerWaalsContact CG-OG 3.29Å; D181-S191 PolarHBondContact N-OG 2.86Å; D181-S191 WeakPolarHBondContact OD2-CB 3.34Å; D181-S191 PolarHBondContact OD2-OG 3.33Å; D181-K195 VanDerWaalsContact O-CE 3.27Å; D181-K195 WeakPolarHBondContact O-CE 3.47Å; D181-K195 PolarHBondContact O-NZ 3.23Å
182	S	91.9	Very high	91.7	Very high	125 Å²	125	62.3 Å²	62.3	87%	0.874	35%	0.35	S	S	*	.	S	Bend	trans	-67.4	-20.5	174.6	57.5	0	0	0	0	114.4
183	K	90.6	Very high	91.7	Very high	166 Å²	166	65.1 Å²	65.1	72%	0.722	36%	0.36	S	S	*	.	S	Bend	trans	-94.3	143.8	-179.7	-64.9	-177.4	-178.8	178.4	0	110.9	D181 P185 G186 K195	D181-K183 PolarHBondContact O-N 3.3Å; K183-P185 CarbonylContact O-C 3.39Å; K183-G186 WeakPolarHBondContact O-CA 2.98Å; K183-G186 PolarHBondContact O-N 2.85Å; K183-K195 PolarHBondContact O-NZ 3.07Å
184	D	86.5	Confident	91.8	Very high	112 Å²	112	63.3 Å²	63.3	60%	0.599	35%	0.351	S	S	*	.	S	Bend	trans	-96.8	138.8	171.8	-69.4	-40.7	0	0	0	112.2	K195	D184-K195 IonicContact OD1-NZ 3.91Å; D184-K195 PolarHBondContact OD1-NZ 3.49Å
185	P	85.7	Confident	92	Very high	45 Å²	45	59.1 Å²	59.1	29%	0.292	33%	0.328	S	S	.	.	S	Bend	cis	-78.3	0.6	-3.7	34.1	-36.6	0	0	0	113.7	F10 K183 K195	F10-P185 HydrophobicContact CD1-CB 3.95Å; F10-P185 HydrophobicContact CD2-CB 4.25Å; F10-P185 HydrophobicContact CD2-CG 4.18Å; F10-P185 HydrophobicContact CE1-CB 3.66Å; F10-P185 HydrophobicContact CE1-CG 4.3Å; F10-P185 HydrophobicContact CE2-CB 3.98Å; F10-P185 HydrophobicContact CE2-CG 3.73Å; F10-P185 HydrophobicContact CG-CB 4.23Å; F10-P185 HydrophobicContact CZ-CB 3.68Å; F10-P185 HydrophobicContact CZ-CG 3.8Å; K183-P185 CarbonylContact O-C 3.39Å; P185-K195 WeakPolarHBondContact O-CD 3.34Å
186	G	86.2	Confident	92.2	Very high	14 Å²	14	55.1 Å²	55.1	14%	0.144	31%	0.309	C	S	.	.			trans	86.4	174.5	-177.1	0	0	0	0	0	113	K183 R192	K183-G186 WeakPolarHBondContact O-CA 2.98Å; K183-G186 PolarHBondContact O-N 2.85Å; G186-R192 PolarHBondContact O-NE 3.06Å; G186-R192 PolarHBondContact O-NH2 2.84Å; G186-R192 VanDerWaalsContact O-NH2 3.13Å
187	G	89	Confident	92.5	Very high	28 Å²	28	56.2 Å²	56.2	29%	0.289	31%	0.313	S	S	.	.	S	Bend	trans	-61.3	161.4	170.8	0	0	0	0	0	112	D181 R192	D181-G187 WeakPolarHBondContact OD2-CA 2.95Å; D181-G187 PolarHBondContact OD2-N 3.29Å; G187-R192 WeakPolarHBondContact O-CG 3.24Å; G187-R192 PolarHBondContact O-NE 2.88Å
188	P	87.4	Confident	92.6	Very high	106 Å²	106	57.1 Å²	57.1	69%	0.688	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	171	175.6	30.8	-35.6	0	0	0	111.9
189	G	91.6	Very high	92.7	Very high	16 Å²	16	52.6 Å²	52.6	17%	0.165	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-140.9	177.3	0	0	0	0	0	113.7	E176 S191 R192 R193	E176-G189 WeakPolarHBondContact OE1-CA 3.18Å; E176-G189 VanDerWaalsContact OE2-C 3.3Å; E176-G189 WeakPolarHBondContact OE2-CA 3.44Å; G189-S191 VanDerWaalsContact C-N 3.3Å; G189-S191 PolarHBondContact O-N 2.71Å; G189-R192 PolarHBondContact O-N 3.06Å; G189-R192 VanDerWaalsContact O-N 3.09Å; G189-R193 PolarHBondContact O-N 2.85Å
190	E	95.2	Very high	92.8	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-54	-39.9	-170.5	-171.9	-175	-155.6	0	0	113.9	E176 C177 N178 G179 R192 R193 I194 T215 C216	E176-E190 HydrophobicContact CB-CB 3.95Å; E176-E190 PolarHBondContact OE2-N 2.95Å; C177-E190 WeakPolarHBondContact CA-OE2 3.15Å; N178-E190 PolarHBondContact N-OE2 3.1Å; G179-E190 WeakPolarHBondContact CA-OE2 3.49Å; G179-E190 PolarHBondContact N-OE2 2.87Å; E190-R192 VanDerWaalsContact C-N 3.3Å; E190-R192 PolarHBondContact O-N 2.85Å; E190-R193 WeakPolarHBondContact O-CA 3.24Å; E190-R193 WeakPolarHBondContact O-CB 3.14Å; E190-R193 PolarHBondContact O-N 3.1Å; E190-I194 HydrophobicContact CG-CD1 3.84Å; E190-I194 HydrophobicContact CG-CG1 4.18Å; E190-I194 WeakPolarHBondContact O-CG1 3.23Å; E190-I194 PolarHBondContact O-N 2.99Å; E190-T215 VanDerWaalsContact CD-OG1 3.24Å; E190-T215 WeakPolarHBondContact OE1-CA 3.44Å; E190-T215 VanDerWaalsContact OE1-CB 3.31Å; E190-T215 WeakPolarHBondContact OE1-CB 3.22Å; E190-T215 PolarHBondContact OE1-OG1 3.08Å; E190-T215 PolarHBondContact OE2-OG1 3.2Å; E190-C216 PolarHBondContact OE1-N 3.32Å; E190-C216 PolarHBondContact OE1-SG 2.66Å; E190-C216 VanDerWaalsContact OE1-SG 3.34Å
191	S	95.6	Very high	92.9	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-53.2	-47.3	177.9	178	0	0	0	0	112	G179 D181 G189 I194 K195	G179-S191 WeakPolarHBondContact O-CA 3.48Å; G179-S191 PolarHBondContact O-N 2.86Å; D181-S191 WeakPolarHBondContact CB-OG 3.3Å; D181-S191 VanDerWaalsContact CG-OG 3.29Å; D181-S191 PolarHBondContact N-OG 2.86Å; D181-S191 WeakPolarHBondContact OD2-CB 3.34Å; D181-S191 PolarHBondContact OD2-OG 3.33Å; G189-S191 VanDerWaalsContact C-N 3.3Å; G189-S191 PolarHBondContact O-N 2.71Å; S191-I194 PolarHBondContact O-N 2.96Å; S191-K195 WeakPolarHBondContact O-CG 3.49Å; S191-K195 PolarHBondContact O-N 3.12Å; S191-K195 VanDerWaalsContact O-N 3.11Å
192	R	93.7	Very high	93	Very high	95 Å²	95	56 Å²	56	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-70.6	-30.7	175.6	-73.6	175	-167.4	-176.3	0.4	112.9	G186 G187 G189 E190 A196	G186-R192 PolarHBondContact O-NE 3.06Å; G186-R192 PolarHBondContact O-NH2 2.84Å; G186-R192 VanDerWaalsContact O-NH2 3.13Å; G187-R192 WeakPolarHBondContact O-CG 3.24Å; G187-R192 PolarHBondContact O-NE 2.88Å; G189-R192 PolarHBondContact O-N 3.06Å; G189-R192 VanDerWaalsContact O-N 3.09Å; E190-R192 VanDerWaalsContact C-N 3.3Å; E190-R192 PolarHBondContact O-N 2.85Å; R192-A196 WeakPolarHBondContact O-CB 3.5Å; R192-A196 PolarHBondContact O-N 3.41Å
193	R	95.1	Very high	93.1	Very high	70 Å²	70	57.4 Å²	57.4	26%	0.264	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-46.7	174.8	-60.1	178.9	-167.5	-76.9	-1.6	110.8	F166 E176 G189 E190 A196 F197	F166-R193 HydrophobicContact CE1-CB 4.32Å; F166-R193 HydrophobicContact CZ-CB 4.12Å; E176-R193 IonicContact OE1-NH2 3.32Å; E176-R193 IonicContact OE2-CZ 2.99Å; E176-R193 IonicContact OE2-NE 2.77Å; E176-R193 PolarHBondContact OE2-NE 2.9Å; E176-R193 IonicContact OE2-NH2 3.23Å; E176-R193 PolarHBondContact OE2-NH2 3.45Å; E176-R193 VanDerWaalsContact OE2-NH2 3.12Å; G189-R193 PolarHBondContact O-N 2.85Å; E190-R193 WeakPolarHBondContact O-CA 3.24Å; E190-R193 WeakPolarHBondContact O-CB 3.14Å; E190-R193 PolarHBondContact O-N 3.1Å; R193-A196 PolarHBondContact O-N 3.47Å; R193-F197 VanDerWaalsContact O-CB 3.32Å; R193-F197 WeakPolarHBondContact O-CB 3.36Å; R193-F197 PolarHBondContact O-N 2.68Å
194	I	96.3	Very high	93.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-49.1	177.9	-67	168.6	0	0	0	110.3	F166 E180 E190 S191 A196 F197 K198 L214	F166-I194 HydrophobicContact CD1-CG1 4.47Å; F166-I194 HydrophobicContact CE1-CG1 4.12Å; E180-I194 HydrophobicContact CB-CB 4.4Å; E180-I194 HydrophobicContact CB-CD1 3.96Å; E180-I194 HydrophobicContact CB-CG2 4.11Å; E180-I194 HydrophobicContact CG-CG2 4.18Å; E180-I194 WeakPolarHBondContact OE2-CG2 3.47Å; E190-I194 HydrophobicContact CG-CD1 3.84Å; E190-I194 HydrophobicContact CG-CG1 4.18Å; E190-I194 WeakPolarHBondContact O-CG1 3.23Å; E190-I194 PolarHBondContact O-N 2.99Å; S191-I194 PolarHBondContact O-N 2.96Å; I194-A196 PolarHBondContact O-N 3.03Å; I194-F197 WeakPolarHBondContact O-CB 3.26Å; I194-F197 PolarHBondContact O-N 2.03Å; I194-K198 HydrophobicContact CG2-CD 4.26Å; I194-K198 WeakPolarHBondContact O-CG 3.33Å; I194-K198 PolarHBondContact O-N 3.24Å; I194-L214 WeakPolarHBondContact CD1-O 3.28Å; I194-L214 HydrophobicContact CG1-CB 4.31Å; I194-L214 VanDerWaalsContact CG1-O 3.26Å; I194-L214 WeakPolarHBondContact CG1-O 3.4Å; I194-L214 HydrophobicContact CG2-CB 3.99Å; I194-L214 HydrophobicContact CG2-CD1 4.12Å
195	K	95.4	Very high	93.9	Very high	11 Å²	11	57.8 Å²	57.8	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-38.9	-178.3	-66.3	176.7	-177.5	-153.1	0	112.8	Y11 E180 D181 K183 D184 P185 S191 F197 K198 W199	Y11-K195 HydrophobicContact CE1-CB 4.38Å; Y11-K195 WeakPolarHBondContact OH-CB 3.11Å; E180-K195 HydrophobicContact CG-CD 4.37Å; E180-K195 HydrophobicContact CG-CG 4Å; E180-K195 VanDerWaalsContact OE1-CE 3.3Å; E180-K195 WeakPolarHBondContact OE1-CE 3.47Å; E180-K195 WeakPolarHBondContact OE1-CG 3.21Å; D181-K195 VanDerWaalsContact O-CE 3.27Å; D181-K195 WeakPolarHBondContact O-CE 3.47Å; D181-K195 PolarHBondContact O-NZ 3.23Å; K183-K195 PolarHBondContact O-NZ 3.07Å; D184-K195 IonicContact OD1-NZ 3.91Å; D184-K195 PolarHBondContact OD1-NZ 3.49Å; P185-K195 WeakPolarHBondContact O-CD 3.34Å; S191-K195 WeakPolarHBondContact O-CG 3.49Å; S191-K195 PolarHBondContact O-N 3.12Å; S191-K195 VanDerWaalsContact O-N 3.11Å; K195-F197 VanDerWaalsContact C-N 3.34Å; K195-K198 PolarHBondContact O-N 3.25Å; K195-W199 VanDerWaalsContact O-CB 3.31Å; K195-W199 WeakPolarHBondContact O-CB 3.25Å; K195-W199 PolarHBondContact O-N 3.29Å
196	A	95.2	Very high	94.5	Very high	22 Å²	22	59.3 Å²	59.3	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-42.9	172.4	0	0	0	0	0	111.1	Y11 R192 R193 I194 W199 F200	Y11-A196 HydrophobicContact CD1-CB 3.85Å; Y11-A196 HydrophobicContact CE1-CB 3.94Å; R192-A196 WeakPolarHBondContact O-CB 3.5Å; R192-A196 PolarHBondContact O-N 3.41Å; R193-A196 PolarHBondContact O-N 3.47Å; I194-A196 PolarHBondContact O-N 3.03Å; A196-W199 WeakPolarHBondContact O-CB 3.42Å; A196-W199 PolarHBondContact O-N 3.21Å; A196-F200 WeakPolarHBondContact O-CD2 3.49Å; A196-F200 PolarHBondContact O-N 3.15Å
197	F	96	Very high	95	Very high	54 Å²	54	64.4 Å²	64.4	24%	0.237	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-46.5	176.3	-179.8	-107.8	0	0	0	112.1	F166 R193 I194 K195 W199 F200 C201 A208 L214	F166-F197 HydrophobicContact CB-CD1 4.2Å; F166-F197 HydrophobicContact CB-CE1 3.94Å; F166-F197 HydrophobicContact CB-CZ 4.25Å; F166-F197 HydrophobicContact CD1-CB 4.36Å; F166-F197 HydrophobicContact CD1-CD1 4.09Å; F166-F197 HydrophobicContact CD1-CG 4.21Å; F166-F197 HydrophobicContact CD2-CB 4.27Å; F166-F197 HydrophobicContact CD2-CD1 4.02Å; F166-F197 AromaticContact CD2-CD2 3.61Å; F166-F197 HydrophobicContact CD2-CD2 3.61Å; F166-F197 HydrophobicContact CD2-CE1 4.24Å; F166-F197 AromaticContact CD2-CE2 3.87Å; F166-F197 HydrophobicContact CD2-CE2 3.87Å; F166-F197 AromaticContact CD2-CG 3.69Å; F166-F197 HydrophobicContact CD2-CG 3.69Å; F166-F197 HydrophobicContact CD2-CZ 4.18Å; F166-F197 HydrophobicContact CE1-CB 3.96Å; F166-F197 HydrophobicContact CE1-CG 4.27Å; F166-F197 HydrophobicContact CE2-CB 3.84Å; F166-F197 HydrophobicContact CE2-CD1 4.45Å; F166-F197 AromaticContact CE2-CD2 3.68Å; F166-F197 HydrophobicContact CE2-CD2 3.68Å; F166-F197 HydrophobicContact CE2-CE2 4.35Å; F166-F197 AromaticContact CE2-CG 3.73Å; F166-F197 HydrophobicContact CE2-CG 3.73Å; F166-F197 AromaticContact CG-CD1 3.83Å; F166-F197 HydrophobicContact CG-CD1 3.83Å; F166-F197 HydrophobicContact CG-CD2 4.27Å; F166-F197 HydrophobicContact CG-CE1 4.04Å; F166-F197 HydrophobicContact CG-CE2 4.47Å; F166-F197 AromaticContact CG-CG 3.95Å; F166-F197 HydrophobicContact CG-CG 3.95Å; F166-F197 HydrophobicContact CG-CZ 4.36Å; F166-F197 HydrophobicContact CZ-CB 3.67Å; F166-F197 HydrophobicContact CZ-CD2 4.39Å; F166-F197 HydrophobicContact CZ-CG 4.03Å; R193-F197 VanDerWaalsContact O-CB 3.32Å; R193-F197 WeakPolarHBondContact O-CB 3.36Å; R193-F197 PolarHBondContact O-N 2.68Å; I194-F197 WeakPolarHBondContact O-CB 3.26Å; I194-F197 PolarHBondContact O-N 2.03Å; K195-F197 VanDerWaalsContact C-N 3.34Å; F197-W199 VanDerWaalsContact C-N 3.31Å; F197-W199 PolarHBondContact O-N 3.29Å; F197-F200 PolarHBondContact O-N 3.44Å; F197-C201 WeakPolarHBondContact O-CB 3.36Å; F197-C201 PolarHBondContact O-N 3.23Å; F197-C201 PolarHBondContact O-SG 3.24Å; F197-A208 HydrophobicContact CD1-CB 4.31Å; F197-A208 HydrophobicContact CE1-CB 3.99Å; F197-A208 WeakPolarHBondContact CE1-O 3.33Å; F197-L214 HydrophobicContact CD1-CD2 3.91Å; F197-L214 HydrophobicContact CE1-CD2 3.76Å
198	K	95.9	Very high	95.3	Very high	52 Å²	52	64.4 Å²	64.4	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-41.6	172.9	-72.1	178.5	177.5	-178	0	112.1	E180 I194 K195 C201 K202 A208 E211 L214	E180-K198 IonicContact OE1-NZ 2.73Å; E180-K198 WeakPolarHBondContact OE2-CE 3.39Å; E180-K198 IonicContact OE2-NZ 2.84Å; E180-K198 PolarHBondContact OE2-NZ 3.37Å; I194-K198 HydrophobicContact CG2-CD 4.26Å; I194-K198 WeakPolarHBondContact O-CG 3.33Å; I194-K198 PolarHBondContact O-N 3.24Å; K195-K198 PolarHBondContact O-N 3.25Å; K198-C201 PolarHBondContact O-N 3.28Å; K198-K202 WeakPolarHBondContact O-CB 3.2Å; K198-K202 PolarHBondContact O-N 3.43Å; K198-A208 HydrophobicContact CG-CB 4.3Å; K198-E211 WeakPolarHBondContact CE-OE1 3.28Å; K198-E211 WeakPolarHBondContact CE-OE2 3.15Å; K198-E211 IonicContact NZ-OE1 3.36Å; K198-E211 PolarHBondContact NZ-OE1 2.97Å; K198-E211 IonicContact NZ-OE2 3.29Å; K198-E211 PolarHBondContact NZ-OE2 3.02Å; K198-L214 HydrophobicContact CD-CD1 4.28Å; K198-L214 HydrophobicContact CG-CD1 4.12Å
199	W	95.7	Very high	95.7	Very high	31 Å²	31	62 Å²	62	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-43.6	177.3	-177.3	84.6	0	0	0	111.8	N8 Y11 R12 F15 K195 A196 F197 K202 Y203	N8-W199 PolarHBondContact OD1-NE1 3.12Å; Y11-W199 HydrophobicContact CD2-CB 3.95Å; Y11-W199 AromaticContact CD2-CD1 3.73Å; Y11-W199 HydrophobicContact CD2-CD2 4.13Å; Y11-W199 AromaticContact CD2-CG 3.65Å; Y11-W199 HydrophobicContact CD2-CG 3.65Å; Y11-W199 HydrophobicContact CE2-CB 4.29Å; Y11-W199 HydrophobicContact CE2-CG 4.38Å; Y11-W199 HydrophobicContact CG-CB 4.43Å; Y11-W199 HydrophobicContact CG-CD2 4.26Å; Y11-W199 HydrophobicContact CG-CG 4.17Å; R12-W199 HydrophobicContact CG-CH2 3.8Å; R12-W199 HydrophobicContact CG-CZ2 4Å; F15-W199 HydrophobicContact CZ-CZ3 4.49Å; K195-W199 VanDerWaalsContact O-CB 3.31Å; K195-W199 WeakPolarHBondContact O-CB 3.25Å; K195-W199 PolarHBondContact O-N 3.29Å; A196-W199 WeakPolarHBondContact O-CB 3.42Å; A196-W199 PolarHBondContact O-N 3.21Å; F197-W199 VanDerWaalsContact C-N 3.31Å; F197-W199 PolarHBondContact O-N 3.29Å; W199-K202 PolarHBondContact O-N 3.42Å; W199-Y203 PolarHBondContact O-N 3.04Å
200	F	96.6	Very high	95.8	Very high	74 Å²	74	66.5 Å²	66.5	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-43.1	173.1	-74.9	-61.4	0	0	0	112.9	F15 A196 F197 K202 Y203 F204	F15-F200 HydrophobicContact CE1-CE1 4.39Å; F15-F200 AromaticContact CE1-CZ 3.81Å; F15-F200 HydrophobicContact CE1-CZ 3.81Å; F15-F200 AromaticContact CZ-CE1 3.72Å; F15-F200 HydrophobicContact CZ-CE1 3.72Å; F15-F200 AromaticContact CZ-CZ 3.52Å; F15-F200 HydrophobicContact CZ-CZ 3.52Å; A196-F200 WeakPolarHBondContact O-CD2 3.49Å; A196-F200 PolarHBondContact O-N 3.15Å; F197-F200 PolarHBondContact O-N 3.44Å; F200-K202 VanDerWaalsContact C-N 3.3Å; F200-K202 PolarHBondContact O-N 3.03Å; F200-Y203 WeakPolarHBondContact O-CB 3.25Å; F200-Y203 PolarHBondContact O-N 2.76Å; F200-Y203 VanDerWaalsContact O-N 3.08Å; F200-F204 HydrophobicContact CB-CD2 4.43Å; F200-F204 HydrophobicContact CB-CE2 4.44Å; F200-F204 HydrophobicContact CD1-CE2 4.27Å; F200-F204 WeakPolarHBondContact O-CD2 3.41Å; F200-F204 PolarHBondContact O-N 3.21Å
201	C	97	Very high	95.8	Very high	11 Å²	11	71.8 Å²	71.8	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-43.3	177.5	-69.6	0	0	0	0	111.3	F197 K198 Y203 F204 N205 V206 A208	F197-C201 WeakPolarHBondContact O-CB 3.36Å; F197-C201 PolarHBondContact O-N 3.23Å; F197-C201 PolarHBondContact O-SG 3.24Å; K198-C201 PolarHBondContact O-N 3.28Å; C201-Y203 PolarHBondContact O-N 2.8Å; C201-F204 PolarHBondContact O-N 2.85Å; C201-N205 PolarHBondContact O-N 3.19Å; C201-V206 CarbonylContact C-O 3.54Å; C201-V206 HydrophobicContact CB-CG2 4.06Å; C201-V206 WeakPolarHBondContact CB-O 3.19Å; C201-V206 PolarHBondContact O-N 2.89Å; C201-A208 HydrophobicContact CB-CB 4.15Å
202	K	95.8	Very high	95.8	Very high	136 Å²	136	77.3 Å²	77.3	59%	0.591	38%	0.381	S	S	*	.	H	α-helix	trans	-59.5	-45.6	172.6	-172.6	-170.3	-179.4	-166.6	0	111.3	E4 K198 W199 F200 F204 N205	E4-K202 IonicContact OE1-NZ 2.76Å; E4-K202 PolarHBondContact OE1-NZ 2.78Å; K198-K202 WeakPolarHBondContact O-CB 3.2Å; K198-K202 PolarHBondContact O-N 3.43Å; W199-K202 PolarHBondContact O-N 3.42Å; F200-K202 VanDerWaalsContact C-N 3.3Å; F200-K202 PolarHBondContact O-N 3.03Å; K202-F204 PolarHBondContact O-N 3.29Å; K202-N205 PolarHBondContact O-N 3.38Å
203	Y	94.9	Very high	96	Very high	154 Å²	154	73.6 Å²	73.6	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-60.9	-43.1	179.6	178.8	-96	0	0	0	112.6	W199 F200 C201 N205	W199-Y203 PolarHBondContact O-N 3.04Å; F200-Y203 WeakPolarHBondContact O-CB 3.25Å; F200-Y203 PolarHBondContact O-N 2.76Å; F200-Y203 VanDerWaalsContact O-N 3.08Å; C201-Y203 PolarHBondContact O-N 2.8Å; Y203-N205 VanDerWaalsContact C-N 3.29Å; Y203-N205 PolarHBondContact O-N 3.06Å
204	F	96.8	Very high	96	Very high	135 Å²	135	70.3 Å²	70.3	59%	0.592	36%	0.355	S	S	*	.	H	α-helix	trans	-84	0.5	178.1	-66.8	-62.5	0	0	0	114.2	F200 C201 K202 V206	F200-F204 HydrophobicContact CB-CD2 4.43Å; F200-F204 HydrophobicContact CB-CE2 4.44Å; F200-F204 HydrophobicContact CD1-CE2 4.27Å; F200-F204 WeakPolarHBondContact O-CD2 3.41Å; F200-F204 PolarHBondContact O-N 3.21Å; C201-F204 PolarHBondContact O-N 2.85Å; K202-F204 PolarHBondContact O-N 3.29Å; F204-V206 VanDerWaalsContact C-N 3.35Å; F204-V206 HydrophobicContact CB-CG2 4.18Å; F204-V206 PolarHBondContact O-N 2.85Å
205	N	97.5	Very high	96.1	Very high	151 Å²	151	71.1 Å²	71.1	81%	0.807	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	46.2	-176.8	-166.9	46.1	0	0	0	113.4	C201 K202 Y203	C201-N205 PolarHBondContact O-N 3.19Å; K202-N205 PolarHBondContact O-N 3.38Å; Y203-N205 VanDerWaalsContact C-N 3.29Å; Y203-N205 PolarHBondContact O-N 3.06Å
206	V	97.1	Very high	96.1	Very high	77 Å²	77	70.8 Å²	70.8	47%	0.467	36%	0.359	S	S	.	.			trans	-122.4	151	176.3	-64	0	0	0	0	110.7	C201 F204	C201-V206 CarbonylContact C-O 3.54Å; C201-V206 HydrophobicContact CB-CG2 4.06Å; C201-V206 WeakPolarHBondContact CB-O 3.19Å; C201-V206 PolarHBondContact O-N 2.89Å; F204-V206 VanDerWaalsContact C-N 3.35Å; F204-V206 HydrophobicContact CB-CG2 4.18Å; F204-V206 PolarHBondContact O-N 2.85Å
207	P	96.4	Very high	96.1	Very high	121 Å²	121	76.3 Å²	76.3	79%	0.786	38%	0.379	S	S	*	.			trans	-68.4	140.7	174.2	28.7	-34.2	0	0	0	110.8	G209	P207-G209 VanDerWaalsContact C-N 3.28Å
208	A	96.1	Very high	96.1	Very high	29 Å²	29	75.8 Å²	75.8	24%	0.24	39%	0.389	C	S	.	.			trans	-74.6	-19.4	173.4	0	0	0	0	0	112.9	F197 K198 C201 L214	F197-A208 HydrophobicContact CD1-CB 4.31Å; F197-A208 HydrophobicContact CE1-CB 3.99Å; F197-A208 WeakPolarHBondContact CE1-O 3.33Å; K198-A208 HydrophobicContact CG-CB 4.3Å; C201-A208 HydrophobicContact CB-CB 4.15Å; A208-L214 HydrophobicContact CB-CD1 4.3Å; A208-L214 HydrophobicContact CB-CD2 4.29Å; A208-L214 WeakPolarHBondContact O-CD2 3.35Å
209	G	95	Very high	96.1	Very high	56 Å²	56	74.3 Å²	74.3	58%	0.577	38%	0.383	S	S	*	.			trans	98.7	-171.5	-171.9	0	0	0	0	0	112.5	P207	P207-G209 VanDerWaalsContact C-N 3.28Å
210	E	95.5	Very high	96.1	Very high	110 Å²	110	76.3 Å²	76.3	51%	0.514	40%	0.4	S	S	.	.			trans	-69.9	133.4	-179.7	-64.1	-178.6	-169.9	0	0	111.3	R212 H213 L214	E210-R212 HydrophobicContact CB-CG 4.26Å; E210-R212 PolarHBondContact O-N 2.97Å; E210-R212 VanDerWaalsContact O-N 3.14Å; E210-R212 IonicContact OE2-CZ 3.14Å; E210-R212 IonicContact OE2-NE 3.54Å; E210-R212 PolarHBondContact OE2-NE 2.84Å; E210-R212 IonicContact OE2-NH2 3.45Å; E210-H213 WeakPolarHBondContact O-CA 3.34Å; E210-H213 WeakPolarHBondContact O-CB 3.25Å; E210-H213 PolarHBondContact O-N 3.18Å; E210-H213 IonicContact OE2-CE1 3.06Å; E210-H213 PolarHBondContact OE2-CE1 2.72Å; E210-H213 IonicContact OE2-ND1 3.42Å; E210-H213 PolarHBondContact OE2-ND1 2.78Å; E210-L214 PolarHBondContact O-N 3.45Å
211	E	95	Very high	96	Very high	112 Å²	112	73.6 Å²	73.6	52%	0.523	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-51.1	-40.6	179.7	-73.3	-65.5	157.9	0	0	113.3	K198 H213 L214	K198-E211 WeakPolarHBondContact CE-OE1 3.28Å; K198-E211 WeakPolarHBondContact CE-OE2 3.15Å; K198-E211 IonicContact NZ-OE1 3.36Å; K198-E211 PolarHBondContact NZ-OE1 2.97Å; K198-E211 IonicContact NZ-OE2 3.29Å; K198-E211 PolarHBondContact NZ-OE2 3.02Å; E211-H213 PolarHBondContact O-N 2.85Å; E211-H213 VanDerWaalsContact O-N 3.16Å; E211-L214 PolarHBondContact O-N 2.96Å
212	R	95.8	Very high	95.8	Very high	120 Å²	120	75.5 Å²	75.5	45%	0.453	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-63.6	-21.6	179.4	74.7	-178.5	-173.5	105.6	-6.7	113.8	A159 Y161 E210	A159-R212 PolarHBondContact O-NH1 3.16Å; Y161-R212 PolarHBondContact OH-O 3.34Å; Y161-R212 VanDerWaalsContact OH-O 3.05Å; E210-R212 HydrophobicContact CB-CG 4.26Å; E210-R212 PolarHBondContact O-N 2.97Å; E210-R212 VanDerWaalsContact O-N 3.14Å; E210-R212 IonicContact OE2-CZ 3.14Å; E210-R212 IonicContact OE2-NE 3.54Å; E210-R212 PolarHBondContact OE2-NE 2.84Å; E210-R212 IonicContact OE2-NH2 3.45Å
213	H	96.1	Very high	95.5	Very high	17 Å²	17	69.4 Å²	69.4	8%	0.079	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-101.5	-4.3	-178.3	-63.6	142.9	0	0	0	113.5	G160 I165 F166 G167 E210 E211	G160-H213 PolarHBondContact O-NE2 2.78Å; I165-H213 HydrophobicContact CB-CB 4.03Å; I165-H213 HydrophobicContact CG2-CB 3.68Å; F166-H213 PolarHBondContact N-O 3.36Å; G167-H213 WeakPolarHBondContact CA-O 3.34Å; G167-H213 PolarHBondContact N-O 2.82Å; E210-H213 WeakPolarHBondContact O-CA 3.34Å; E210-H213 WeakPolarHBondContact O-CB 3.25Å; E210-H213 PolarHBondContact O-N 3.18Å; E210-H213 IonicContact OE2-CE1 3.06Å; E210-H213 PolarHBondContact OE2-CE1 2.72Å; E210-H213 IonicContact OE2-ND1 3.42Å; E210-H213 PolarHBondContact OE2-ND1 2.78Å; E211-H213 PolarHBondContact O-N 2.85Å; E211-H213 VanDerWaalsContact O-N 3.16Å
214	L	96.9	Very high	95.3	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.01	37%	0.368	C	S	.	.	S	Bend	trans	-74.2	-16.9	168.9	-59.3	-175.6	0	0	0	111.7	F166 G167 I194 F197 K198 A208 E210 E211	F166-L214 HydrophobicContact CB-CD2 3.99Å; F166-L214 VanDerWaalsContact CD1-O 3.32Å; F166-L214 WeakPolarHBondContact CD1-O 3.42Å; G167-L214 VanDerWaalsContact CA-O 3.3Å; G167-L214 WeakPolarHBondContact CA-O 3.33Å; I194-L214 WeakPolarHBondContact CD1-O 3.28Å; I194-L214 HydrophobicContact CG1-CB 4.31Å; I194-L214 VanDerWaalsContact CG1-O 3.26Å; I194-L214 WeakPolarHBondContact CG1-O 3.4Å; I194-L214 HydrophobicContact CG2-CB 3.99Å; I194-L214 HydrophobicContact CG2-CD1 4.12Å; F197-L214 HydrophobicContact CD1-CD2 3.91Å; F197-L214 HydrophobicContact CE1-CD2 3.76Å; K198-L214 HydrophobicContact CD-CD1 4.28Å; K198-L214 HydrophobicContact CG-CD1 4.12Å; A208-L214 HydrophobicContact CB-CD1 4.3Å; A208-L214 HydrophobicContact CB-CD2 4.29Å; A208-L214 WeakPolarHBondContact O-CD2 3.35Å; E210-L214 PolarHBondContact O-N 3.45Å; E211-L214 PolarHBondContact O-N 2.96Å
215	T	96.7	Very high	95.1	Very high	19 Å²	19	65.9 Å²	65.9	12%	0.117	37%	0.37	C	S	.	.			trans	-119.6	147.7	175.7	179.5	0	0	0	0	112.3	Y161 G179 E190 K217	Y161-T215 VanDerWaalsContact CE1-O 3.28Å; Y161-T215 WeakPolarHBondContact CE1-O 3.46Å; Y161-T215 PolarHBondContact OH-O 3.4Å; G179-T215 WeakPolarHBondContact CA-OG1 3.45Å; E190-T215 VanDerWaalsContact CD-OG1 3.24Å; E190-T215 WeakPolarHBondContact OE1-CA 3.44Å; E190-T215 VanDerWaalsContact OE1-CB 3.31Å; E190-T215 WeakPolarHBondContact OE1-CB 3.22Å; E190-T215 PolarHBondContact OE1-OG1 3.08Å; E190-T215 PolarHBondContact OE2-OG1 3.2Å; T215-K217 VanDerWaalsContact C-N 3.3Å; T215-K217 HydrophobicContact CG2-CB 4.05Å; T215-K217 VanDerWaalsContact OG1-CB 3.3Å; T215-K217 WeakPolarHBondContact OG1-CB 3.39Å; T215-K217 PolarHBondContact OG1-N 2.88Å
216	C	95.8	Very high	94.7	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.02	34%	0.335	C	S	.	.	S	Bend	trans	-84	-0.4	169.3	51.8	0	0	0	0	113.9	L171 E176 C177 E190 G218 M219	L171-C216 HydrophobicContact CD1-CB 3.76Å; L171-C216 HydrophobicContact CG-CB 3.84Å; E176-C216 PolarHBondContact O-SG 2.92Å; C177-C216 WeakPolarHBondContact CA-SG 3.42Å; C177-C216 HydrophobicContact CB-CB 4.11Å; C177-C216 WeakPolarHBondContact CB-SG 3.44Å; C177-C216 WeakPolarHBondContact SG-CB 3.31Å; C177-C216 CovalentContact SG-SG 2.03Å; C177-C216 PolarHBondContact SG-SG 3.12Å; E190-C216 PolarHBondContact OE1-N 3.32Å; E190-C216 PolarHBondContact OE1-SG 2.66Å; E190-C216 VanDerWaalsContact OE1-SG 3.34Å; C216-G218 PolarHBondContact O-N 2.95Å; C216-G218 VanDerWaalsContact O-N 3.13Å; C216-M219 HydrophobicContact CB-CG 4.33Å; C216-M219 HydrophobicContact CB-SD 3.69Å; C216-M219 VanDerWaalsContact O-CB 3.3Å; C216-M219 WeakPolarHBondContact O-CB 3.19Å; C216-M219 WeakPolarHBondContact O-CG 3.16Å; C216-M219 PolarHBondContact O-N 3.06Å
217	K	95.8	Very high	94.5	Very high	139 Å²	139	59.8 Å²	59.8	60%	0.604	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.1	-178.2	-172.8	176.1	-166.6	163.2	0	114.8	C177 N178 T215	C177-K217 WeakPolarHBondContact O-CB 3.36Å; C177-K217 WeakPolarHBondContact O-CG 3.49Å; N178-K217 WeakPolarHBondContact O-CD 3.23Å; N178-K217 PolarHBondContact O-NZ 2.94Å; T215-K217 VanDerWaalsContact C-N 3.3Å; T215-K217 HydrophobicContact CG2-CB 4.05Å; T215-K217 VanDerWaalsContact OG1-CB 3.3Å; T215-K217 WeakPolarHBondContact OG1-CB 3.39Å; T215-K217 PolarHBondContact OG1-N 2.88Å
218	G	95.3	Very high	94.3	Very high	42 Å²	42	54.8 Å²	54.8	43%	0.433	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0	179.4	0	0	0	0	0	114.6	Y161 C216 P220	Y161-G218 VanDerWaalsContact CE2-O 3.24Å; Y161-G218 WeakPolarHBondContact CE2-O 3.23Å; Y161-G218 WeakPolarHBondContact OH-CA 3.49Å; Y161-G218 PolarHBondContact OH-N 2.91Å; Y161-G218 VanDerWaalsContact OH-N 3.12Å; C216-G218 PolarHBondContact O-N 2.95Å; C216-G218 VanDerWaalsContact O-N 3.13Å; G218-P220 VanDerWaalsContact O-CD 3.24Å; G218-P220 WeakPolarHBondContact O-CD 3.47Å
219	M	96.1	Very high	94.3	Very high	21 Å²	21	57.3 Å²	57.3	10%	0.103	32%	0.322	C	S	.	.			trans	-67.5	120.9	178.1	-72.8	179.3	65.1	0	0	110.3	N156 Y161 P168 L171 C216 T221 L223	N156-M219 HydrophobicContact CB-CE 4.45Å; N156-M219 VanDerWaalsContact ND2-CE 3.26Å; N156-M219 WeakPolarHBondContact ND2-CE 3.21Å; Y161-M219 HydrophobicContact CD1-CG 3.36Å; Y161-M219 HydrophobicContact CD1-SD 4.07Å; Y161-M219 HydrophobicContact CD2-CG 3.8Å; Y161-M219 HydrophobicContact CE1-CG 3.63Å; Y161-M219 HydrophobicContact CE2-CG 4.03Å; Y161-M219 HydrophobicContact CG-CG 3.47Å; Y161-M219 VanDerWaalsContact CG-CG 3.47Å; Y161-M219 HydrophobicContact CG-SD 4.47Å; P168-M219 HydrophobicContact CB-SD 4.05Å; P168-M219 HydrophobicContact CG-SD 3.86Å; L171-M219 HydrophobicContact CD1-CE 3.75Å; L171-M219 HydrophobicContact CD1-SD 3.45Å; L171-M219 WeakPolarHBondContact CD1-SD 3.16Å; C216-M219 HydrophobicContact CB-CG 4.33Å; C216-M219 HydrophobicContact CB-SD 3.69Å; C216-M219 VanDerWaalsContact O-CB 3.3Å; C216-M219 WeakPolarHBondContact O-CB 3.19Å; C216-M219 WeakPolarHBondContact O-CG 3.16Å; C216-M219 PolarHBondContact O-N 3.06Å; M219-T221 PolarHBondContact O-N 3.42Å; M219-L223 HydrophobicContact CE-CD2 4.24Å
220	P	96	Very high	94.4	Very high	74 Å²	74	56.4 Å²	56.4	48%	0.481	30%	0.302	S	S	.	.	S	Bend	trans	-64	-22.4	178.2	-26.1	35.3	0	0	0	115	K155 N156 A159 G218	K155-P220 HydrophobicContact CB-CB 4.26Å; N156-P220 WeakPolarHBondContact OD1-CD 3.48Å; A159-P220 HydrophobicContact CB-CG 3.66Å; G218-P220 VanDerWaalsContact O-CD 3.24Å; G218-P220 WeakPolarHBondContact O-CD 3.47Å
221	T	94.3	Very high	94.5	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.098	28%	0.277	C	S	.	.	S	Bend	trans	-140	138.8	-179.9	46.1	0	0	0	0	111.1	K155 N156 M219 M225	K155-T221 HydrophobicContact CB-CG2 4.47Å; K155-T221 HydrophobicContact CD-CG2 3.81Å; N156-T221 PolarHBondContact ND2-O 3.37Å; N156-T221 PolarHBondContact ND2-OG1 3.49Å; N156-T221 VanDerWaalsContact ND2-OG1 3.15Å; N156-T221 PolarHBondContact OD1-N 3.28Å; N156-T221 VanDerWaalsContact OD1-N 3.12Å; N156-T221 PolarHBondContact OD1-O 3.08Å; N156-T221 PolarHBondContact OD1-OG1 3.44Å; M219-T221 PolarHBondContact O-N 3.42Å; T221-M225 HydrophobicContact CG2-CB 4.49Å; T221-M225 HydrophobicContact CG2-CE 4.15Å; T221-M225 HydrophobicContact CG2-SD 4.43Å
222	T	92.6	Very high	94.6	Very high	52 Å²	52	46.1 Å²	46.1	32%	0.319	25%	0.254	S	S	.	.			trans	-70.4	164.3	170.2	65.6	0	0	0	0	110.7	D224 M225	T222-D224 PolarHBondContact O-N 2.94Å; T222-M225 PolarHBondContact O-N 2.87Å; T222-M225 WeakPolarHBondContact OG1-CG 3.43Å
223	L	90.8	Very high	94.8	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.9	-33.5	-179.8	-60.3	176.4	0	0	0	112.2	K136 L171 I172 M219 M225 I226	K136-L223 HydrophobicContact CB-CD1 4.39Å; K136-L223 HydrophobicContact CG-CD1 4.13Å; L171-L223 HydrophobicContact CB-CD1 4.21Å; L171-L223 HydrophobicContact CD1-CG 4.34Å; I172-L223 HydrophobicContact CG1-CD1 3.93Å; M219-L223 HydrophobicContact CE-CD2 4.24Å; L223-M225 VanDerWaalsContact C-N 3.26Å; L223-M225 PolarHBondContact O-N 3.49Å; L223-I226 HydrophobicContact CD2-CD1 3.87Å; L223-I226 WeakPolarHBondContact O-CB 3.37Å; L223-I226 PolarHBondContact O-N 2.92Å
224	D	89.9	Confident	94.8	Very high	88 Å²	88	40.1 Å²	40.1	47%	0.471	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-69.5	-22.8	179.4	-63	-49.2	0	0	0	114.1	P135 T222 I226	P135-D224 VanDerWaalsContact CG-OD1 3.27Å; P135-D224 WeakPolarHBondContact CG-OD1 3.42Å; T222-D224 PolarHBondContact O-N 2.94Å; D224-I226 VanDerWaalsContact C-N 3.31Å
225	M	92.1	Very high	94.9	Very high	127 Å²	127	41.8 Å²	41.8	63%	0.626	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-81.5	-10.6	176.4	-63.7	172.8	74.6	0	0	112.9	T221 T222 L223 A227	T221-M225 HydrophobicContact CG2-CB 4.49Å; T221-M225 HydrophobicContact CG2-CE 4.15Å; T221-M225 HydrophobicContact CG2-SD 4.43Å; T222-M225 PolarHBondContact O-N 2.87Å; T222-M225 WeakPolarHBondContact OG1-CG 3.43Å; L223-M225 VanDerWaalsContact C-N 3.26Å; L223-M225 PolarHBondContact O-N 3.49Å; M225-A227 PolarHBondContact O-N 3.45Å
226	I	90.6	Very high	94.9	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.087	26%	0.257	C	S	.	.	S	Bend	trans	-74.3	113	177.7	-56.5	169.4	0	0	0	107.8	Y151 P152 L223 D224 G228	Y151-I226 HydrophobicContact CD1-CG2 4.07Å; Y151-I226 HydrophobicContact CE1-CG2 3.83Å; P152-I226 VanDerWaalsContact C-CD1 3.5Å; P152-I226 WeakPolarHBondContact O-CD1 3.31Å; L223-I226 HydrophobicContact CD2-CD1 3.87Å; L223-I226 WeakPolarHBondContact O-CB 3.37Å; L223-I226 PolarHBondContact O-N 2.92Å; D224-I226 VanDerWaalsContact C-N 3.31Å; I226-G228 PolarHBondContact O-N 3.37Å
227	A	92.2	Very high	94.9	Very high	84 Å²	84	50 Å²	50	69%	0.694	28%	0.28	S	S	*	.			trans	-60.5	133.3	176.7	0	0	0	0	0	110.3	M225 R263	M225-A227 PolarHBondContact O-N 3.45Å; A227-R263 PolarHBondContact O-NH1 3.08Å; A227-R263 PolarHBondContact O-NH2 2.86Å
228	G	92.1	Very high	94.9	Very high	15 Å²	15	43.4 Å²	43.4	16%	0.155	25%	0.252	C	S	.	.	S	Bend	trans	169.8	169.2	-177.5	0	0	0	0	0	110.7	I226 E260	I226-G228 PolarHBondContact O-N 3.37Å; G228-E260 VanDerWaalsContact CA-OE2 3.31Å; G228-E260 WeakPolarHBondContact CA-OE2 3.38Å
229	K	95.9	Very high	95	Very high	83 Å²	83	42.1 Å²	42.1	36%	0.361	24%	0.235	S	C	.	.			trans	-86.4	136.5	176.7	-60	-59.1	-168.1	165.4	0	109.8	P249 A250 Y258 E260	K229-P249 HydrophobicContact CB-CB 3.81Å; K229-P249 HydrophobicContact CD-CB 3.97Å; K229-P249 WeakPolarHBondContact CD-O 3.18Å; K229-P249 WeakPolarHBondContact CE-O 3.27Å; K229-P249 HydrophobicContact CG-CB 3.75Å; K229-P249 PolarHBondContact NZ-O 3.29Å; K229-A250 CarbonylContact C-O 3.45Å; K229-A250 WeakPolarHBondContact CA-O 3.21Å; K229-Y258 HydrophobicContact CB-CD1 3.34Å; K229-Y258 HydrophobicContact CB-CE1 3.54Å; K229-Y258 HydrophobicContact CB-CG 4.41Å; K229-Y258 HydrophobicContact CG-CD1 4.42Å; K229-Y258 HydrophobicContact CG-CE1 4.21Å; K229-E260 PolarHBondContact N-OE2 2.83Å
230	K	96.4	Very high	95	Very high	36 Å²	36	48.8 Å²	48.8	16%	0.157	26%	0.26	C	S	.	.			trans	-120.5	-42	-168.6	-60	172.4	-171.9	158.8	0	113	P134 P135 A250 D251 Y252 Y258	P134-K230 HydrophobicContact CB-CB 4.2Å; P134-K230 WeakPolarHBondContact CB-O 3.09Å; P135-K230 HydrophobicContact CB-CD 4.49Å; P135-K230 HydrophobicContact CB-CG 4.39Å; P135-K230 HydrophobicContact CG-CD 4.34Å; K230-A250 PolarHBondContact N-O 2.85Å; K230-D251 VanDerWaalsContact CD-O 3.24Å; K230-D251 WeakPolarHBondContact CD-O 3Å; K230-D251 WeakPolarHBondContact CE-O 3.3Å; K230-D251 PolarHBondContact NZ-O 2.77Å; K230-Y252 WeakPolarHBondContact CB-O 3.47Å; K230-Y258 PolarHBondContact O-N 2.99Å
231	S	97.7	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	164.8	-179.8	78	0	0	0	0	112.1	Q233 A250 Y252 I256	S231-Q233 WeakPolarHBondContact OG-CG 3.2Å; S231-Q233 PolarHBondContact OG-NE2 2.67Å; S231-A250 PolarHBondContact O-N 3.12Å; S231-Y252 PolarHBondContact OG-O 2.86Å; S231-Y252 VanDerWaalsContact OG-O 3.08Å; S231-I256 CarbonylContact C-O 3.59Å; S231-I256 WeakPolarHBondContact CA-O 3.36Å; S231-I256 VanDerWaalsContact CB-O 3.23Å; S231-I256 WeakPolarHBondContact CB-O 3.36Å
232	L	98.6	Very high	95.1	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.3	165.1	-79.4	152.9	0	0	0	109.2	C247 I256 Y258 N275 A276 C279	L232-C247 HydrophobicContact CD2-CB 4.29Å; L232-I256 HydrophobicContact CB-CB 4.49Å; L232-I256 HydrophobicContact CB-CG2 4.01Å; L232-I256 HydrophobicContact CD1-CG2 4.13Å; L232-I256 PolarHBondContact N-O 3.23Å; L232-Y258 HydrophobicContact CD1-CD2 4.43Å; L232-Y258 HydrophobicContact CD2-CD2 4.29Å; L232-Y258 HydrophobicContact CG-CD2 4.13Å; L232-N275 VanDerWaalsContact CD1-C 3.49Å; L232-N275 HydrophobicContact CD1-CB 3.46Å; L232-N275 VanDerWaalsContact CD1-CB 3.46Å; L232-A276 HydrophobicContact CD1-CB 4.19Å; L232-A276 HydrophobicContact CD2-CB 4.34Å; L232-C279 HydrophobicContact CB-CB 4.01Å
233	Q	98.1	Very high	95.2	Very high	9 Å²	9	52 Å²	52	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	165.1	-174.6	-65.9	-68.1	-15.8	0	0	109	S231 D235 C247 A248 A250 Y252	S231-Q233 WeakPolarHBondContact OG-CG 3.2Å; S231-Q233 PolarHBondContact OG-NE2 2.67Å; Q233-D235 PolarHBondContact O-N 3.43Å; Q233-C247 CarbonylContact O-C 3.32Å; Q233-C247 WeakPolarHBondContact O-CA 3.37Å; Q233-C247 VanDerWaalsContact O-CB 3.28Å; Q233-C247 WeakPolarHBondContact O-CB 3.39Å; Q233-A248 PolarHBondContact N-O 2.76Å; Q233-A248 VanDerWaalsContact N-O 3.13Å; Q233-A248 PolarHBondContact O-N 2.85Å; Q233-A250 HydrophobicContact CB-CB 3.91Å; Q233-A250 HydrophobicContact CG-CB 3.49Å; Q233-A250 VanDerWaalsContact CG-CB 3.49Å; Q233-Y252 HydrophobicContact CB-CE2 4.45Å; Q233-Y252 WeakPolarHBondContact CB-OH 3.23Å; Q233-Y252 HydrophobicContact CG-CD2 4.39Å; Q233-Y252 HydrophobicContact CG-CE2 3.5Å; Q233-Y252 VanDerWaalsContact CG-CE2 3.5Å; Q233-Y252 WeakPolarHBondContact CG-OH 3.45Å
234	P	97.9	Very high	95.5	Very high	2 Å²	2	54 Å²	54	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	134.5	170.8	-24.7	31.9	0	0	0	111.1	W236 T239 I283 Y290 M292	P234-W236 VanDerWaalsContact C-N 3.26Å; P234-W236 HydrophobicContact CB-CD2 4.28Å; P234-W236 HydrophobicContact CB-CE3 4.19Å; P234-W236 HydrophobicContact CB-CH2 4.08Å; P234-W236 HydrophobicContact CB-CZ2 4.15Å; P234-W236 HydrophobicContact CB-CZ3 4.09Å; P234-W236 HydrophobicContact CG-CH2 3.91Å; P234-W236 HydrophobicContact CG-CZ2 4Å; P234-W236 HydrophobicContact CG-CZ3 4.35Å; P234-W236 PolarHBondContact O-N 3.24Å; P234-W236 PolarHBondContact O-NE1 3.35Å; P234-T239 HydrophobicContact CB-CG2 4.08Å; P234-I283 HydrophobicContact CB-CD1 3.87Å; P234-I283 HydrophobicContact CB-CG1 4.49Å; P234-I283 HydrophobicContact CG-CD1 3.84Å; P234-I283 HydrophobicContact CG-CG1 3.97Å; P234-Y290 VanDerWaalsContact CD-CD1 3.48Å; P234-Y290 HydrophobicContact CG-CD1 3.51Å; P234-Y290 HydrophobicContact CG-CD2 3.94Å; P234-Y290 HydrophobicContact CG-CE1 3.92Å; P234-Y290 HydrophobicContact CG-CE2 4.3Å; P234-Y290 HydrophobicContact CG-CG 3.51Å; P234-M292 HydrophobicContact CB-SD 3.89Å; P234-M292 HydrophobicContact CG-SD 3.78Å
235	D	97.8	Very high	95.9	Very high	37 Å²	37	50 Å²	50	20%	0.198	27%	0.268	C	S	.	.			trans	-71.6	89	171.3	-177.1	-1.9	0	0	0	108.7	Q233 S237 S238 T239 K246 A248	Q233-D235 PolarHBondContact O-N 3.43Å; D235-S237 PolarHBondContact O-N 2.98Å; D235-S237 VanDerWaalsContact OD1-CB 3.29Å; D235-S237 WeakPolarHBondContact OD1-CB 3.48Å; D235-S237 PolarHBondContact OD1-N 3.19Å; D235-S237 PolarHBondContact OD1-OG 2.81Å; D235-S237 PolarHBondContact OD2-OG 2.87Å; D235-S238 PolarHBondContact O-N 3.48Å; D235-S238 PolarHBondContact O-OG 3.24Å; D235-T239 WeakPolarHBondContact O-CG2 3.38Å; D235-T239 PolarHBondContact O-N 3.43Å; D235-T239 VanDerWaalsContact O-N 3.1Å; D235-K246 HydrophobicContact CB-CB 4.01Å; D235-K246 PolarHBondContact N-O 3.2Å; D235-A248 HydrophobicContact CB-CB 3.92Å
236	W	97	Very high	96.1	Very high	120 Å²	120	48.2 Å²	48.2	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20	180	-54.4	116.2	0	0	0	113.2	P234 S238 T239 Y252 M292	P234-W236 VanDerWaalsContact C-N 3.26Å; P234-W236 HydrophobicContact CB-CD2 4.28Å; P234-W236 HydrophobicContact CB-CE3 4.19Å; P234-W236 HydrophobicContact CB-CH2 4.08Å; P234-W236 HydrophobicContact CB-CZ2 4.15Å; P234-W236 HydrophobicContact CB-CZ3 4.09Å; P234-W236 HydrophobicContact CG-CH2 3.91Å; P234-W236 HydrophobicContact CG-CZ2 4Å; P234-W236 HydrophobicContact CG-CZ3 4.35Å; P234-W236 PolarHBondContact O-N 3.24Å; P234-W236 PolarHBondContact O-NE1 3.35Å; W236-S238 VanDerWaalsContact C-N 3.28Å; W236-S238 PolarHBondContact O-N 2.84Å; W236-T239 HydrophobicContact CE3-CG2 4.09Å; W236-Y252 PolarHBondContact NE1-OH 3.32Å; W236-M292 HydrophobicContact CZ3-CG 4.2Å; W236-M292 HydrophobicContact CZ3-SD 4.25Å
237	S	96.3	Very high	96.5	Very high	73 Å²	73	48.6 Å²	48.6	51%	0.51	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.6	176	81.7	0	0	0	0	113.6	D235 W240	D235-S237 PolarHBondContact O-N 2.98Å; D235-S237 VanDerWaalsContact OD1-CB 3.29Å; D235-S237 WeakPolarHBondContact OD1-CB 3.48Å; D235-S237 PolarHBondContact OD1-N 3.19Å; D235-S237 PolarHBondContact OD1-OG 2.81Å; D235-S237 PolarHBondContact OD2-OG 2.87Å; S237-W240 PolarHBondContact O-NE1 2.9Å
238	S	96.2	Very high	96.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-9.5	-178.8	69.5	0	0	0	0	114.9	D235 W236 W240 K241 E243	D235-S238 PolarHBondContact O-N 3.48Å; D235-S238 PolarHBondContact O-OG 3.24Å; W236-S238 VanDerWaalsContact C-N 3.28Å; W236-S238 PolarHBondContact O-N 2.84Å; S238-W240 PolarHBondContact O-N 3.4Å; S238-W240 VanDerWaalsContact O-N 3.1Å; S238-K241 WeakPolarHBondContact O-CB 3.44Å; S238-K241 PolarHBondContact O-N 3.29Å; S238-E243 WeakPolarHBondContact CB-OE1 3.42Å
239	T	97.2	Very high	97.1	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.086	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.7	-177.5	52.1	0	0	0	0	113.9	P234 D235 W236 K241 M292 S297 L298 C299	P234-T239 HydrophobicContact CB-CG2 4.08Å; D235-T239 WeakPolarHBondContact O-CG2 3.38Å; D235-T239 PolarHBondContact O-N 3.43Å; D235-T239 VanDerWaalsContact O-N 3.1Å; W236-T239 HydrophobicContact CE3-CG2 4.09Å; T239-K241 VanDerWaalsContact C-N 3.31Å; T239-K241 PolarHBondContact O-N 3.37Å; T239-M292 HydrophobicContact CG2-CE 3.68Å; T239-M292 HydrophobicContact CG2-SD 4.36Å; T239-S297 CarbonylContact O-C 3.22Å; T239-S297 VanDerWaalsContact O-C 3.22Å; T239-S297 VanDerWaalsContact O-CA 3.3Å; T239-S297 WeakPolarHBondContact O-CA 3.3Å; T239-L298 PolarHBondContact O-N 3.49Å; T239-C299 PolarHBondContact O-N 2.84Å
240	W	95.8	Very high	97.1	Very high	162 Å²	162	43.7 Å²	43.7	61%	0.614	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.5	178.1	62.2	-89.1	0	0	0	114.1	S237 S238 L298	S237-W240 PolarHBondContact O-NE1 2.9Å; S238-W240 PolarHBondContact O-N 3.4Å; S238-W240 VanDerWaalsContact O-N 3.1Å; W240-L298 VanDerWaalsContact O-CD1 3.29Å; W240-L298 WeakPolarHBondContact O-CD1 3.32Å
241	K	96.4	Very high	97.1	Very high	78 Å²	78	46.9 Å²	46.9	34%	0.339	25%	0.249	S	C	.	.	S	Bend	trans	-97.1	146.8	179.9	-62.5	175.6	-174	168.6	0	110.5	S238 T239 E243 L298 C299	S238-K241 WeakPolarHBondContact O-CB 3.44Å; S238-K241 PolarHBondContact O-N 3.29Å; T239-K241 VanDerWaalsContact C-N 3.31Å; T239-K241 PolarHBondContact O-N 3.37Å; K241-E243 HydrophobicContact CB-CG 3.83Å; K241-E243 PolarHBondContact O-N 2.88Å; K241-L298 CarbonylContact O-C 3.22Å; K241-C299 VanDerWaalsContact O-CA 3.29Å; K241-C299 WeakPolarHBondContact O-CA 3.01Å; K241-C299 PolarHBondContact O-N 2.94Å
242	A	95.1	Very high	97	Very high	75 Å²	75	51.2 Å²	51.2	62%	0.62	27%	0.266	S	S	*	.	S	Bend	trans	-79	61.1	172	0	0	0	0	0	111.2
243	E	95.4	Very high	96.8	Very high	55 Å²	55	53 Å²	53	26%	0.257	29%	0.286	S	S	.	.	S	Bend	trans	-135.5	162.8	172.8	62.8	175.2	-176.5	0	0	109	S238 K241 C245 K246 C299	S238-E243 WeakPolarHBondContact CB-OE1 3.42Å; K241-E243 HydrophobicContact CB-CG 3.83Å; K241-E243 PolarHBondContact O-N 2.88Å; E243-C245 PolarHBondContact O-N 3.32Å; E243-K246 IonicContact OE1-NZ 2.72Å; E243-K246 PolarHBondContact OE1-NZ 3.38Å; E243-K246 IonicContact OE2-NZ 3.67Å; E243-K246 PolarHBondContact OE2-NZ 2.83Å; E243-C299 WeakPolarHBondContact O-CA 2.89Å; E243-C299 WeakPolarHBondContact O-CB 3.47Å
244	P	97	Very high	96.6	Very high	50 Å²	50	53.6 Å²	53.6	33%	0.325	29%	0.294	S	S	.	.			trans	-54.1	139.8	178.1	-25.4	34.7	0	0	0	112.3	Y284 V302	P244-Y284 WeakPolarHBondContact CA-OH 3.07Å; P244-V302 HydrophobicContact CG-CG1 3.86Å
245	C	97.8	Very high	96.5	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.034	30%	0.303	C	S	.	.			trans	-60.2	140.4	177.4	-62	0	0	0	0	110.3	E243 I283 Y284 C299 L300	E243-C245 PolarHBondContact O-N 3.32Å; C245-I283 HydrophobicContact CB-CD1 4.33Å; C245-I283 HydrophobicContact CB-CG2 3.82Å; C245-Y284 HydrophobicContact CB-CE2 3.85Å; C245-Y284 PolarHBondContact N-OH 3.28Å; C245-C299 VanDerWaalsContact CA-SG 3.54Å; C245-C299 HydrophobicContact CB-CB 3.92Å; C245-C299 WeakPolarHBondContact CB-SG 3.49Å; C245-C299 WeakPolarHBondContact SG-CB 3.44Å; C245-C299 CovalentContact SG-SG 2.05Å; C245-C299 PolarHBondContact SG-SG 3.41Å; C245-L300 PolarHBondContact SG-N 2.66Å; C245-L300 VanDerWaalsContact SG-N 3.41Å
246	K	97.4	Very high	96.5	Very high	89 Å²	89	54 Å²	54	39%	0.387	30%	0.295	S	S	.	.			trans	-120.2	158.2	178.9	-65.7	165.2	-168.6	159.5	0	108.7	D235 E243	D235-K246 HydrophobicContact CB-CB 4.01Å; D235-K246 PolarHBondContact N-O 3.2Å; E243-K246 IonicContact OE1-NZ 2.72Å; E243-K246 PolarHBondContact OE1-NZ 3.38Å; E243-K246 IonicContact OE2-NZ 3.67Å; E243-K246 PolarHBondContact OE2-NZ 2.83Å
247	C	98.1	Very high	96.6	Very high	24 Å²	24	49.1 Å²	49.1	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.6	166.1	-72.8	0	0	0	0	110.9	L232 Q233 C279 V280 I283	L232-C247 HydrophobicContact CD2-CB 4.29Å; Q233-C247 CarbonylContact O-C 3.32Å; Q233-C247 WeakPolarHBondContact O-CA 3.37Å; Q233-C247 VanDerWaalsContact O-CB 3.28Å; Q233-C247 WeakPolarHBondContact O-CB 3.39Å; C247-C279 HydrophobicContact CB-CB 3.69Å; C247-C279 WeakPolarHBondContact CB-SG 3.24Å; C247-C279 WeakPolarHBondContact SG-CB 3.13Å; C247-C279 PolarHBondContact SG-O 3.45Å; C247-C279 CovalentContact SG-SG 2.03Å; C247-C279 PolarHBondContact SG-SG 3.44Å; C247-V280 HydrophobicContact CB-CG2 4.43Å; C247-I283 WeakPolarHBondContact SG-CD1 3.28Å
248	A	98.2	Very high	96.7	Very high	28 Å²	28	47.6 Å²	47.6	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.1	176.5	0	0	0	0	0	110.9	Q233 D235 A250	Q233-A248 PolarHBondContact N-O 2.76Å; Q233-A248 VanDerWaalsContact N-O 3.13Å; Q233-A248 PolarHBondContact O-N 2.85Å; D235-A248 HydrophobicContact CB-CB 3.92Å; A248-A250 PolarHBondContact O-N 3.49Å
249	P	98.4	Very high	96.6	Very high	43 Å²	43	48.2 Å²	48.2	28%	0.279	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	124.4	173.2	-22.9	35.3	0	0	0	112.2	K229 Y258	K229-P249 HydrophobicContact CB-CB 3.81Å; K229-P249 HydrophobicContact CD-CB 3.97Å; K229-P249 WeakPolarHBondContact CD-O 3.18Å; K229-P249 WeakPolarHBondContact CE-O 3.27Å; K229-P249 HydrophobicContact CG-CB 3.75Å; K229-P249 PolarHBondContact NZ-O 3.29Å; P249-Y258 HydrophobicContact CB-CD1 3.81Å; P249-Y258 HydrophobicContact CB-CD2 3.99Å; P249-Y258 HydrophobicContact CB-CE1 3.77Å; P249-Y258 HydrophobicContact CB-CE2 3.99Å; P249-Y258 HydrophobicContact CB-CG 3.88Å; P249-Y258 HydrophobicContact CG-CD1 4.32Å; P249-Y258 HydrophobicContact CG-CD2 3.75Å; P249-Y258 HydrophobicContact CG-CE1 3.99Å; P249-Y258 HydrophobicContact CG-CE2 3.41Å; P249-Y258 VanDerWaalsContact CG-CE2 3.41Å; P249-Y258 HydrophobicContact CG-CG 4.18Å
250	A	97.5	Very high	96.5	Very high	9 Å²	9	49.6 Å²	49.6	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	156.3	176.8	0	0	0	0	0	112.3	K229 K230 S231 Q233 A248 Y252	K229-A250 CarbonylContact C-O 3.45Å; K229-A250 WeakPolarHBondContact CA-O 3.21Å; K230-A250 PolarHBondContact N-O 2.85Å; S231-A250 PolarHBondContact O-N 3.12Å; Q233-A250 HydrophobicContact CB-CB 3.91Å; Q233-A250 HydrophobicContact CG-CB 3.49Å; Q233-A250 VanDerWaalsContact CG-CB 3.49Å; A248-A250 PolarHBondContact O-N 3.49Å; A250-Y252 HydrophobicContact CB-CD1 3.85Å; A250-Y252 HydrophobicContact CB-CD2 4.48Å; A250-Y252 HydrophobicContact CB-CE1 3.6Å; A250-Y252 HydrophobicContact CB-CE2 4.29Å; A250-Y252 HydrophobicContact CB-CG 4.28Å
251	D	95.8	Very high	96.3	Very high	103 Å²	103	45.7 Å²	45.7	55%	0.551	27%	0.267	S	S	*	.	S	Bend	trans	-90.4	-0.7	176.3	59.1	-4.4	0	0	0	113.8	K230	K230-D251 VanDerWaalsContact CD-O 3.24Å; K230-D251 WeakPolarHBondContact CD-O 3Å; K230-D251 WeakPolarHBondContact CE-O 3.3Å; K230-D251 PolarHBondContact NZ-O 2.77Å
252	Y	95.1	Very high	95.9	Very high	91 Å²	91	45.2 Å²	45.2	36%	0.357	28%	0.284	S	S	.	.	S	Bend	trans	-109.5	158.5	172.6	58.9	-90.9	0	0	0	111.1	K230 S231 Q233 W236 A250	K230-Y252 WeakPolarHBondContact CB-O 3.47Å; S231-Y252 PolarHBondContact OG-O 2.86Å; S231-Y252 VanDerWaalsContact OG-O 3.08Å; Q233-Y252 HydrophobicContact CB-CE2 4.45Å; Q233-Y252 WeakPolarHBondContact CB-OH 3.23Å; Q233-Y252 HydrophobicContact CG-CD2 4.39Å; Q233-Y252 HydrophobicContact CG-CE2 3.5Å; Q233-Y252 VanDerWaalsContact CG-CE2 3.5Å; Q233-Y252 WeakPolarHBondContact CG-OH 3.45Å; W236-Y252 PolarHBondContact NE1-OH 3.32Å; A250-Y252 HydrophobicContact CB-CD1 3.85Å; A250-Y252 HydrophobicContact CB-CD2 4.48Å; A250-Y252 HydrophobicContact CB-CE1 3.6Å; A250-Y252 HydrophobicContact CB-CE2 4.29Å; A250-Y252 HydrophobicContact CB-CG 4.28Å
253	G	93.7	Very high	95.6	Very high	45 Å²	45	44.4 Å²	44.4	46%	0.464	27%	0.265	S	S	.	.			trans	-74.4	162.2	-179.1	0	0	0	0	0	112.9
254	G	95.5	Very high	95.5	Very high	20 Å²	20	42.5 Å²	42.5	21%	0.206	26%	0.256	C	S	.	.			trans	-173.3	171.7	178.2	0	0	0	0	0	110.2	E55 I256	E55-G254 WeakPolarHBondContact OE1-CA 3.1Å; G254-I256 VanDerWaalsContact C-N 3.29Å; G254-I256 PolarHBondContact O-N 3.3Å
255	M	95.8	Very high	95.2	Very high	42 Å²	42	40.4 Å²	40.4	21%	0.207	24%	0.242	C	C	.	.	S	Bend	trans	-73.8	-19.6	-174.1	-68.4	-58.5	100.5	0	0	113.8	E55 L56 F59 Y60 F87	E55-M255 HydrophobicContact CG-CB 4.32Å; E55-M255 HydrophobicContact CG-CG 3.81Å; E55-M255 PolarHBondContact OE1-N 2Å; L56-M255 HydrophobicContact CD2-CE 3.95Å; L56-M255 HydrophobicContact CD2-CG 4.31Å; L56-M255 HydrophobicContact CD2-SD 3.59Å; L56-M255 VanDerWaalsContact CD2-SD 3.59Å; F59-M255 HydrophobicContact CB-CB 4.37Å; F59-M255 HydrophobicContact CB-CG 4.21Å; F59-M255 HydrophobicContact CD1-CB 4.21Å; F59-M255 HydrophobicContact CD2-CB 3.37Å; F59-M255 HydrophobicContact CD2-CG 3.57Å; F59-M255 HydrophobicContact CE1-CB 4.38Å; F59-M255 HydrophobicContact CE2-CB 3.6Å; F59-M255 HydrophobicContact CE2-CG 4.19Å; F59-M255 HydrophobicContact CG-CB 3.73Å; F59-M255 HydrophobicContact CG-CG 4.01Å; F59-M255 HydrophobicContact CZ-CB 4.1Å; Y60-M255 HydrophobicContact CD2-SD 3.92Å; Y60-M255 HydrophobicContact CE2-SD 3.89Å; F87-M255 HydrophobicContact CB-SD 4.34Å
256	I	97.6	Very high	94.9	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	28%	0.276	C	S	.	.	S	Bend	trans	-100.9	97.3	174.2	-56.2	179	0	0	0	108.6	F59 S231 L232 G254 N275 R278 C279 T282	F59-I256 HydrophobicContact CE1-CD1 4.25Å; F59-I256 HydrophobicContact CE1-CG1 3.96Å; F59-I256 HydrophobicContact CZ-CD1 3.78Å; F59-I256 HydrophobicContact CZ-CG1 3.64Å; S231-I256 CarbonylContact C-O 3.59Å; S231-I256 WeakPolarHBondContact CA-O 3.36Å; S231-I256 VanDerWaalsContact CB-O 3.23Å; S231-I256 WeakPolarHBondContact CB-O 3.36Å; L232-I256 HydrophobicContact CB-CB 4.49Å; L232-I256 HydrophobicContact CB-CG2 4.01Å; L232-I256 HydrophobicContact CD1-CG2 4.13Å; L232-I256 PolarHBondContact N-O 3.23Å; G254-I256 VanDerWaalsContact C-N 3.29Å; G254-I256 PolarHBondContact O-N 3.3Å; I256-N275 HydrophobicContact CG2-CB 3.63Å; I256-N275 WeakPolarHBondContact CG2-O 3.14Å; I256-R278 HydrophobicContact CD1-CB 4.39Å; I256-R278 HydrophobicContact CD1-CG 4.07Å; I256-C279 VanDerWaalsContact CD1-CA 3.42Å; I256-C279 HydrophobicContact CD1-CB 3.72Å; I256-C279 HydrophobicContact CG2-CB 4.45Å; I256-T282 HydrophobicContact CD1-CG2 4.2Å
257	A	97.6	Very high	94.7	Very high	18 Å²	18	49.1 Å²	49.1	15%	0.149	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-60	143.6	-179.1	0	0	0	0	0	112.7	P134 Y259 N275	P134-A257 HydrophobicContact CG-CB 4.24Å; A257-Y259 HydrophobicContact CB-CE1 4.16Å; A257-Y259 HydrophobicContact CB-CE2 4.01Å; A257-N275 PolarHBondContact O-ND2 3.01Å
258	Y	98.2	Very high	94.6	Very high	41 Å²	41	48.8 Å²	48.8	16%	0.161	28%	0.278	C	S	.	.			trans	-114.2	121.7	165.2	178.6	-98	0	0	0	109	K229 K230 L232 P249 E260 N272	K229-Y258 HydrophobicContact CB-CD1 3.34Å; K229-Y258 HydrophobicContact CB-CE1 3.54Å; K229-Y258 HydrophobicContact CB-CG 4.41Å; K229-Y258 HydrophobicContact CG-CD1 4.42Å; K229-Y258 HydrophobicContact CG-CE1 4.21Å; K230-Y258 PolarHBondContact O-N 2.99Å; L232-Y258 HydrophobicContact CD1-CD2 4.43Å; L232-Y258 HydrophobicContact CD2-CD2 4.29Å; L232-Y258 HydrophobicContact CG-CD2 4.13Å; P249-Y258 HydrophobicContact CB-CD1 3.81Å; P249-Y258 HydrophobicContact CB-CD2 3.99Å; P249-Y258 HydrophobicContact CB-CE1 3.77Å; P249-Y258 HydrophobicContact CB-CE2 3.99Å; P249-Y258 HydrophobicContact CB-CG 3.88Å; P249-Y258 HydrophobicContact CG-CD1 4.32Å; P249-Y258 HydrophobicContact CG-CD2 3.75Å; P249-Y258 HydrophobicContact CG-CE1 3.99Å; P249-Y258 HydrophobicContact CG-CE2 3.41Å; P249-Y258 VanDerWaalsContact CG-CE2 3.41Å; P249-Y258 HydrophobicContact CG-CG 4.18Å; Y258-E260 HydrophobicContact CD1-CB 4.34Å; Y258-E260 HydrophobicContact CE1-CB 3.93Å; Y258-E260 HydrophobicContact CE1-CG 4.33Å; Y258-N272 HydrophobicContact CD2-CB 4.45Å; Y258-N272 HydrophobicContact CE2-CB 4.39Å
259	Y	96.1	Very high	94.4	Very high	16 Å²	16	48.8 Å²	48.8	6%	0.063	28%	0.275	C	S	.	.			trans	-98.4	95.2	179.8	-59.1	-70.8	0	0	0	109.5	P132 P134 A257 P261 Y264 F268 M271 N272	P132-Y259 HydrophobicContact CB-CE1 4.26Å; P132-Y259 HydrophobicContact CG-CD1 4.24Å; P132-Y259 HydrophobicContact CG-CE1 3.74Å; P134-Y259 HydrophobicContact CG-CD1 3.85Å; P134-Y259 HydrophobicContact CG-CE1 3.88Å; A257-Y259 HydrophobicContact CB-CE1 4.16Å; A257-Y259 HydrophobicContact CB-CE2 4.01Å; Y259-P261 WeakPolarHBondContact O-CD 3.39Å; Y259-Y264 AromaticContact CD1-CD1 4Å; Y259-Y264 HydrophobicContact CD1-CD1 4Å; Y259-Y264 HydrophobicContact CD1-CD2 4.18Å; Y259-Y264 HydrophobicContact CD1-CE1 4.45Å; Y259-Y264 AromaticContact CD1-CG 3.86Å; Y259-Y264 HydrophobicContact CD1-CG 3.86Å; Y259-Y264 HydrophobicContact CG-CG 4.47Å; Y259-F268 HydrophobicContact CD1-CB 3.83Å; Y259-F268 HydrophobicContact CD1-CG 4.41Å; Y259-F268 HydrophobicContact CD2-CB 3.79Å; Y259-F268 WeakPolarHBondContact CD2-O 3.3Å; Y259-F268 HydrophobicContact CE1-CB 4.14Å; Y259-F268 HydrophobicContact CE1-CD1 4.07Å; Y259-F268 HydrophobicContact CE1-CG 4.28Å; Y259-F268 HydrophobicContact CE2-CB 4.07Å; Y259-F268 HydrophobicContact CE2-CD1 4.01Å; Y259-F268 HydrophobicContact CG-CB 3.62Å; Y259-F268 AromaticContact CZ-CD1 3.72Å; Y259-M271 HydrophobicContact CD2-CB 4.49Å; Y259-M271 HydrophobicContact CE2-CB 4.4Å; Y259-M271 HydrophobicContact CE2-SD 4.29Å; Y259-N272 PolarHBondContact N-OD1 3.05Å; Y259-N272 PolarHBondContact O-ND2 3.19Å
260	E	94	Very high	94.3	Very high	43 Å²	43	50.3 Å²	50.3	20%	0.201	29%	0.291	C	S	.	.			trans	-56.4	123.4	-178.8	-169.2	173.2	170.9	0	0	111.9	G228 K229 Y258 G262 R263 Y264	G228-E260 VanDerWaalsContact CA-OE2 3.31Å; G228-E260 WeakPolarHBondContact CA-OE2 3.38Å; K229-E260 PolarHBondContact N-OE2 2.83Å; Y258-E260 HydrophobicContact CD1-CB 4.34Å; Y258-E260 HydrophobicContact CE1-CB 3.93Å; Y258-E260 HydrophobicContact CE1-CG 4.33Å; E260-G262 PolarHBondContact O-N 2.9Å; E260-R263 HydrophobicContact CB-CB 4.32Å; E260-R263 HydrophobicContact CB-CG 4.24Å; E260-R263 HydrophobicContact CG-CG 4.27Å; E260-R263 WeakPolarHBondContact O-CB 3Å; E260-R263 PolarHBondContact O-N 2.91Å; E260-R263 IonicContact OE1-CZ 3.56Å; E260-R263 IonicContact OE1-NE 3.12Å; E260-R263 PolarHBondContact OE1-NE 2.82Å; E260-R263 IonicContact OE1-NH2 3.85Å; E260-R263 PolarHBondContact OE1-NH2 3.13Å; E260-R263 WeakPolarHBondContact OE2-CD 3.49Å; E260-R263 IonicContact OE2-CZ 2.63Å; E260-R263 IonicContact OE2-NE 3.41Å; E260-R263 PolarHBondContact OE2-NE 3.34Å; E260-R263 IonicContact OE2-NH1 2.68Å; E260-R263 IonicContact OE2-NH2 2.8Å; E260-R263 PolarHBondContact OE2-NH2 3.03Å; E260-Y264 PolarHBondContact O-N 3.09Å
261	P	92.2	Very high	94.3	Very high	80 Å²	80	53.3 Å²	53.3	52%	0.519	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	136.2	176.4	-26.1	33.1	0	0	0	112.1	Y259 R263 V269	Y259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-R263 VanDerWaalsContact C-N 3.26Å; P261-R263 PolarHBondContact O-N 3.43Å; P261-V269 HydrophobicContact CB-CG1 4.23Å; P261-V269 HydrophobicContact CG-CG1 3.84Å
262	G	88	Confident	94.4	Very high	68 Å²	68	49.4 Å²	49.4	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-2.1	-176.8	0	0	0	0	0	115.3	E260	E260-G262 PolarHBondContact O-N 2.9Å
263	R	88.8	Confident	94.6	Very high	58 Å²	58	51.4 Å²	51.4	22%	0.219	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-24.8	173.7	-59.6	-165.9	-174.3	-159.6	10.4	114.5	A227 E260 P261	A227-R263 PolarHBondContact O-NH1 3.08Å; A227-R263 PolarHBondContact O-NH2 2.86Å; E260-R263 HydrophobicContact CB-CB 4.32Å; E260-R263 HydrophobicContact CB-CG 4.24Å; E260-R263 HydrophobicContact CG-CG 4.27Å; E260-R263 WeakPolarHBondContact O-CB 3Å; E260-R263 PolarHBondContact O-N 2.91Å; E260-R263 IonicContact OE1-CZ 3.56Å; E260-R263 IonicContact OE1-NE 3.12Å; E260-R263 PolarHBondContact OE1-NE 2.82Å; E260-R263 IonicContact OE1-NH2 3.85Å; E260-R263 PolarHBondContact OE1-NH2 3.13Å; E260-R263 WeakPolarHBondContact OE2-CD 3.49Å; E260-R263 IonicContact OE2-CZ 2.63Å; E260-R263 IonicContact OE2-NE 3.41Å; E260-R263 PolarHBondContact OE2-NE 3.34Å; E260-R263 IonicContact OE2-NH1 2.68Å; E260-R263 IonicContact OE2-NH2 2.8Å; E260-R263 PolarHBondContact OE2-NH2 3.03Å; P261-R263 VanDerWaalsContact C-N 3.26Å; P261-R263 PolarHBondContact O-N 3.43Å
264	Y	91.7	Very high	94.7	Very high	14 Å²	14	55.7 Å²	55.7	6%	0.055	30%	0.304	C	S	.	.	S	Bend	trans	-124.3	154.5	179.3	-62.9	-80.7	0	0	0	110	P132 P134 P135 Y259 E260 V269	P132-Y264 HydrophobicContact CB-CD1 3.66Å; P132-Y264 HydrophobicContact CB-CE1 3.73Å; P132-Y264 HydrophobicContact CG-CD1 4Å; P134-Y264 WeakPolarHBondContact CA-OH 3.41Å; P134-Y264 HydrophobicContact CB-CE2 4.42Å; P134-Y264 WeakPolarHBondContact CB-OH 3.44Å; P134-Y264 HydrophobicContact CG-CE1 4.17Å; P134-Y264 HydrophobicContact CG-CE2 4.18Å; P135-Y264 WeakPolarHBondContact CA-OH 3.34Å; P135-Y264 PolarHBondContact O-OH 3.09Å; Y259-Y264 AromaticContact CD1-CD1 4Å; Y259-Y264 HydrophobicContact CD1-CD1 4Å; Y259-Y264 HydrophobicContact CD1-CD2 4.18Å; Y259-Y264 HydrophobicContact CD1-CE1 4.45Å; Y259-Y264 AromaticContact CD1-CG 3.86Å; Y259-Y264 HydrophobicContact CD1-CG 3.86Å; Y259-Y264 HydrophobicContact CG-CG 4.47Å; E260-Y264 PolarHBondContact O-N 3.09Å; Y264-V269 WeakPolarHBondContact O-CG2 3.48Å
265	P	91.1	Very high	94.8	Very high	7 Å²	7	55.6 Å²	55.6	5%	0.045	30%	0.299	C	S	.	.			trans	-53.7	142.6	174.6	-24.8	31.6	0	0	0	112.9	Q149 R267 F268 V269	Q149-P265 HydrophobicContact CB-CG 3.99Å; Q149-P265 HydrophobicContact CG-CB 4.34Å; Q149-P265 HydrophobicContact CG-CG 3.93Å; P265-R267 HydrophobicContact CB-CG 4.1Å; P265-R267 PolarHBondContact O-N 3.47Å; P265-F268 HydrophobicContact CB-CD2 4.12Å; P265-F268 HydrophobicContact CG-CD2 4.09Å; P265-F268 WeakPolarHBondContact O-CB 3.48Å; P265-F268 PolarHBondContact O-N 2.86Å; P265-V269 PolarHBondContact O-N 2.83Å
266	D	92.4	Very high	94.9	Very high	137 Å²	137	55.1 Å²	55.1	73%	0.733	30%	0.302	S	S	*	.	H	α-helix	trans	-52	-34.2	-177.4	-65.2	-20.2	0	0	0	113.6	F268 V269 A270	D266-F268 PolarHBondContact O-N 3.4Å; D266-V269 PolarHBondContact O-N 3.06Å; D266-A270 WeakPolarHBondContact O-CB 3.33Å; D266-A270 PolarHBondContact O-N 2.03Å
267	R	93	Very high	94.9	Very high	140 Å²	140	60.3 Å²	60.3	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-33.3	176.1	67	178.4	179.6	133.5	1.9	113.5	M130 P265	M130-R267 PolarHBondContact O-NH2 3.25Å; P265-R267 HydrophobicContact CB-CG 4.1Å; P265-R267 PolarHBondContact O-N 3.47Å
268	F	94.9	Very high	94.9	Very high	16 Å²	16	63.7 Å²	63.7	7%	0.07	33%	0.333	C	S	.	.	H	α-helix	trans	-83.8	-39.7	175.4	-72.2	-71.2	0	0	0	110.7	T131 P132 Y259 P265 D266 A270 M271	T131-F268 HydrophobicContact CG2-CE1 4.45Å; P132-F268 HydrophobicContact CG-CD1 4.02Å; P132-F268 HydrophobicContact CG-CD2 3.64Å; P132-F268 HydrophobicContact CG-CE1 4.04Å; P132-F268 HydrophobicContact CG-CE2 3.63Å; P132-F268 HydrophobicContact CG-CG 3.85Å; P132-F268 HydrophobicContact CG-CZ 3.86Å; Y259-F268 HydrophobicContact CD1-CB 3.83Å; Y259-F268 HydrophobicContact CD1-CG 4.41Å; Y259-F268 HydrophobicContact CD2-CB 3.79Å; Y259-F268 WeakPolarHBondContact CD2-O 3.3Å; Y259-F268 HydrophobicContact CE1-CB 4.14Å; Y259-F268 HydrophobicContact CE1-CD1 4.07Å; Y259-F268 HydrophobicContact CE1-CG 4.28Å; Y259-F268 HydrophobicContact CE2-CB 4.07Å; Y259-F268 HydrophobicContact CE2-CD1 4.01Å; Y259-F268 HydrophobicContact CG-CB 3.62Å; Y259-F268 AromaticContact CZ-CD1 3.72Å; P265-F268 HydrophobicContact CB-CD2 4.12Å; P265-F268 HydrophobicContact CG-CD2 4.09Å; P265-F268 WeakPolarHBondContact O-CB 3.48Å; P265-F268 PolarHBondContact O-N 2.86Å; D266-F268 PolarHBondContact O-N 3.4Å; F268-A270 PolarHBondContact O-N 3.48Å; F268-M271 HydrophobicContact CD1-SD 3.79Å; F268-M271 HydrophobicContact CE1-SD 4.36Å; F268-M271 VanDerWaalsContact O-CB 3.25Å; F268-M271 WeakPolarHBondContact O-CB 3.47Å; F268-M271 PolarHBondContact O-N 2.97Å
269	V	95.6	Very high	94.9	Very high	29 Å²	29	61.7 Å²	61.7	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-56.5	-39.4	174.6	-178.9	0	0	0	0	111.1	P261 Y264 P265 D266 M271 N272	P261-V269 HydrophobicContact CB-CG1 4.23Å; P261-V269 HydrophobicContact CG-CG1 3.84Å; Y264-V269 WeakPolarHBondContact O-CG2 3.48Å; P265-V269 PolarHBondContact O-N 2.83Å; D266-V269 PolarHBondContact O-N 3.06Å; V269-M271 PolarHBondContact O-N 3.32Å; V269-N272 VanDerWaalsContact O-CB 3.25Å; V269-N272 WeakPolarHBondContact O-CB 3.39Å; V269-N272 VanDerWaalsContact O-CG 3.3Å; V269-N272 PolarHBondContact O-N 3Å; V269-N272 PolarHBondContact O-ND2 3.38Å
270	A	96.6	Very high	95	Very high	74 Å²	74	62.5 Å²	62.5	61%	0.612	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.1	175.4	0	0	0	0	0	113.5	D266 F268 N272	D266-A270 WeakPolarHBondContact O-CB 3.33Å; D266-A270 PolarHBondContact O-N 2.03Å; F268-A270 PolarHBondContact O-N 3.48Å; A270-N272 PolarHBondContact O-N 3.25Å
271	M	97	Very high	95.1	Very high	73 Å²	73	66.4 Å²	66.4	36%	0.36	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-17	176.5	-59.1	176.1	63.1	0	0	112.8	Y259 F268 V269 E273 Q274 N275	Y259-M271 HydrophobicContact CD2-CB 4.49Å; Y259-M271 HydrophobicContact CE2-CB 4.4Å; Y259-M271 HydrophobicContact CE2-SD 4.29Å; F268-M271 HydrophobicContact CD1-SD 3.79Å; F268-M271 HydrophobicContact CE1-SD 4.36Å; F268-M271 VanDerWaalsContact O-CB 3.25Å; F268-M271 WeakPolarHBondContact O-CB 3.47Å; F268-M271 PolarHBondContact O-N 2.97Å; V269-M271 PolarHBondContact O-N 3.32Å; M271-E273 PolarHBondContact O-N 3.2Å; M271-Q274 PolarHBondContact O-N 3.38Å; M271-N275 WeakPolarHBondContact O-CB 3.48Å; M271-N275 VanDerWaalsContact O-CG 3.24Å; M271-N275 PolarHBondContact O-N 3.19Å; M271-N275 PolarHBondContact O-OD1 3.38Å
272	N	98.3	Very high	95.4	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.107	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-32.3	-178	-71.9	-27.3	0	0	0	112.9	Y258 Y259 V269 A270 N275 A276	Y258-N272 HydrophobicContact CD2-CB 4.45Å; Y258-N272 HydrophobicContact CE2-CB 4.39Å; Y259-N272 PolarHBondContact N-OD1 3.05Å; Y259-N272 PolarHBondContact O-ND2 3.19Å; V269-N272 VanDerWaalsContact O-CB 3.25Å; V269-N272 WeakPolarHBondContact O-CB 3.39Å; V269-N272 VanDerWaalsContact O-CG 3.3Å; V269-N272 PolarHBondContact O-N 3Å; V269-N272 PolarHBondContact O-ND2 3.38Å; A270-N272 PolarHBondContact O-N 3.25Å; N272-N275 PolarHBondContact O-N 3.36Å; N272-A276 VanDerWaalsContact O-CB 3.3Å; N272-A276 WeakPolarHBondContact O-CB 3.26Å; N272-A276 PolarHBondContact O-N 2.93Å
273	E	97.6	Very high	95.8	Very high	133 Å²	133	59.5 Å²	59.5	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-64.7	-48.2	177.9	-168.4	-165	149.9	0	0	111.2	M271 A276 K277	M271-E273 PolarHBondContact O-N 3.2Å; E273-A276 PolarHBondContact O-N 2.72Å; E273-K277 PolarHBondContact O-N 2.6Å; E273-K277 IonicContact OE1-NZ 3.58Å; E273-K277 PolarHBondContact OE1-NZ 2.91Å
274	Q	97.2	Very high	96.2	Very high	136 Å²	136	59.5 Å²	59.5	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-67.3	-39.4	177.3	-173	177.6	16.2	0	0	111.2	M271 A276 K277 R278	M271-Q274 PolarHBondContact O-N 3.38Å; Q274-A276 VanDerWaalsContact C-N 3.3Å; Q274-A276 PolarHBondContact O-N 2.81Å; Q274-K277 PolarHBondContact O-N 2.84Å; Q274-R278 PolarHBondContact O-N 3.37Å
275	N	98	Very high	96.5	Very high	17 Å²	17	64.2 Å²	64.2	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-37.9	176.8	-71.6	-2.8	0	0	0	111.6	L232 I256 A257 M271 N272 R278 C279	L232-N275 VanDerWaalsContact CD1-C 3.49Å; L232-N275 HydrophobicContact CD1-CB 3.46Å; L232-N275 VanDerWaalsContact CD1-CB 3.46Å; I256-N275 HydrophobicContact CG2-CB 3.63Å; I256-N275 WeakPolarHBondContact CG2-O 3.14Å; A257-N275 PolarHBondContact O-ND2 3.01Å; M271-N275 WeakPolarHBondContact O-CB 3.48Å; M271-N275 VanDerWaalsContact O-CG 3.24Å; M271-N275 PolarHBondContact O-N 3.19Å; M271-N275 PolarHBondContact O-OD1 3.38Å; N272-N275 PolarHBondContact O-N 3.36Å; N275-R278 PolarHBondContact O-N 3.17Å; N275-C279 WeakPolarHBondContact O-CB 3.42Å; N275-C279 PolarHBondContact O-N 3.04Å
276	A	98	Very high	96.8	Very high	33 Å²	33	66 Å²	66	27%	0.273	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-41.9	177.5	0	0	0	0	0	111.3	L232 N272 E273 Q274 C279 V280	L232-A276 HydrophobicContact CD1-CB 4.19Å; L232-A276 HydrophobicContact CD2-CB 4.34Å; N272-A276 VanDerWaalsContact O-CB 3.3Å; N272-A276 WeakPolarHBondContact O-CB 3.26Å; N272-A276 PolarHBondContact O-N 2.93Å; E273-A276 PolarHBondContact O-N 2.72Å; Q274-A276 VanDerWaalsContact C-N 3.3Å; Q274-A276 PolarHBondContact O-N 2.81Å; A276-C279 PolarHBondContact O-N 2.82Å; A276-V280 PolarHBondContact O-N 2.99Å; A276-V280 VanDerWaalsContact O-N 3.09Å
277	K	97.5	Very high	96.9	Very high	113 Å²	113	61.1 Å²	61.1	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-48.9	173.8	-66.4	172.7	-170.2	167.7	0	111.2	E273 Q274 C279 V280 E281	E273-K277 PolarHBondContact O-N 2.6Å; E273-K277 IonicContact OE1-NZ 3.58Å; E273-K277 PolarHBondContact OE1-NZ 2.91Å; Q274-K277 PolarHBondContact O-N 2.84Å; K277-C279 VanDerWaalsContact C-N 3.26Å; K277-C279 PolarHBondContact O-N 3.33Å; K277-V280 PolarHBondContact O-N 3.2Å; K277-V280 VanDerWaalsContact O-N 3.09Å; K277-E281 WeakPolarHBondContact O-CG 3.17Å; K277-E281 PolarHBondContact O-N 3.08Å
278	R	97.1	Very high	97	Very high	89 Å²	89	58.1 Å²	58.1	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-56.5	-40.1	175.8	-172.3	178.2	-178.8	177.2	1	111.8	D94 I256 Q274 N275 E281 T282	D94-R278 IonicContact OD2-NH2 2.79Å; I256-R278 HydrophobicContact CD1-CB 4.39Å; I256-R278 HydrophobicContact CD1-CG 4.07Å; Q274-R278 PolarHBondContact O-N 3.37Å; N275-R278 PolarHBondContact O-N 3.17Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.2Å; R278-T282 WeakPolarHBondContact O-CG2 3.29Å; R278-T282 PolarHBondContact O-N 3.1Å
279	C	98.2	Very high	97.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.8	-39.7	177.8	177.6	0	0	0	0	112.7	L232 C247 I256 N275 A276 K277 E281 T282 I283	L232-C279 HydrophobicContact CB-CB 4.01Å; C247-C279 HydrophobicContact CB-CB 3.69Å; C247-C279 WeakPolarHBondContact CB-SG 3.24Å; C247-C279 WeakPolarHBondContact SG-CB 3.13Å; C247-C279 PolarHBondContact SG-O 3.45Å; C247-C279 CovalentContact SG-SG 2.03Å; C247-C279 PolarHBondContact SG-SG 3.44Å; I256-C279 VanDerWaalsContact CD1-CA 3.42Å; I256-C279 HydrophobicContact CD1-CB 3.72Å; I256-C279 HydrophobicContact CG2-CB 4.45Å; N275-C279 WeakPolarHBondContact O-CB 3.42Å; N275-C279 PolarHBondContact O-N 3.04Å; A276-C279 PolarHBondContact O-N 2.82Å; K277-C279 VanDerWaalsContact C-N 3.26Å; K277-C279 PolarHBondContact O-N 3.33Å; C279-E281 VanDerWaalsContact C-N 3.34Å; C279-T282 PolarHBondContact O-N 2.94Å; C279-T282 PolarHBondContact O-OG1 2.87Å; C279-I283 WeakPolarHBondContact O-CG1 3.46Å; C279-I283 PolarHBondContact O-N 2.89Å
280	V	97.8	Very high	97.1	Very high	32 Å²	32	57.7 Å²	57.7	19%	0.194	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-42.3	174.2	174.6	0	0	0	0	110.4	C247 A276 K277 T282 I283 Y284 P304	C247-V280 HydrophobicContact CB-CG2 4.43Å; A276-V280 PolarHBondContact O-N 2.99Å; A276-V280 VanDerWaalsContact O-N 3.09Å; K277-V280 PolarHBondContact O-N 3.2Å; K277-V280 VanDerWaalsContact O-N 3.09Å; V280-T282 VanDerWaalsContact C-N 3.32Å; V280-T282 PolarHBondContact O-N 3.26Å; V280-I283 WeakPolarHBondContact O-CB 3.28Å; V280-I283 PolarHBondContact O-N 2.68Å; V280-Y284 HydrophobicContact CG1-CD2 4.03Å; V280-Y284 HydrophobicContact CG1-CE2 3.83Å; V280-Y284 WeakPolarHBondContact O-CD2 3.27Å; V280-Y284 PolarHBondContact O-N 3.01Å; V280-P304 HydrophobicContact CG1-CB 4.42Å
281	E	97.3	Very high	97	Very high	125 Å²	125	59.4 Å²	59.4	58%	0.584	31%	0.308	S	S	*	.	H	α-helix	trans	-56.1	-45	175.6	-69	165.9	-177.6	0	0	111.7	K277 R278 C279 I283 Y284 D285	K277-E281 WeakPolarHBondContact O-CG 3.17Å; K277-E281 PolarHBondContact O-N 3.08Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.2Å; C279-E281 VanDerWaalsContact C-N 3.34Å; E281-I283 VanDerWaalsContact C-N 3.31Å; E281-I283 PolarHBondContact O-N 3.13Å; E281-Y284 PolarHBondContact O-N 3.41Å; E281-D285 VanDerWaalsContact O-CB 3.3Å; E281-D285 WeakPolarHBondContact O-CB 3.26Å; E281-D285 PolarHBondContact O-N 2.6Å
282	T	97.3	Very high	97	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-29.9	-179.9	57.9	0	0	0	0	113.6	Y58 F59 I256 R278 C279 V280 N286 Y290	Y58-T282 HydrophobicContact CD1-CG2 4.36Å; Y58-T282 HydrophobicContact CE1-CG2 3.41Å; Y58-T282 VanDerWaalsContact CE1-CG2 3.41Å; F59-T282 HydrophobicContact CE1-CG2 4.15Å; F59-T282 HydrophobicContact CZ-CG2 3.76Å; I256-T282 HydrophobicContact CD1-CG2 4.2Å; R278-T282 WeakPolarHBondContact O-CG2 3.29Å; R278-T282 PolarHBondContact O-N 3.1Å; C279-T282 PolarHBondContact O-N 2.94Å; C279-T282 PolarHBondContact O-OG1 2.87Å; V280-T282 VanDerWaalsContact C-N 3.32Å; V280-T282 PolarHBondContact O-N 3.26Å; T282-N286 CarbonylContact O-C 3.42Å; T282-N286 PolarHBondContact O-N 3.17Å; T282-Y290 PolarHBondContact OG1-OH 3.04Å
283	I	97.4	Very high	96.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-43.9	175	-69.4	169.9	0	0	0	110.9	P234 C245 C247 C279 V280 E281 P287 Y290 M292 L300	P234-I283 HydrophobicContact CB-CD1 3.87Å; P234-I283 HydrophobicContact CB-CG1 4.49Å; P234-I283 HydrophobicContact CG-CD1 3.84Å; P234-I283 HydrophobicContact CG-CG1 3.97Å; C245-I283 HydrophobicContact CB-CD1 4.33Å; C245-I283 HydrophobicContact CB-CG2 3.82Å; C247-I283 WeakPolarHBondContact SG-CD1 3.28Å; C279-I283 WeakPolarHBondContact O-CG1 3.46Å; C279-I283 PolarHBondContact O-N 2.89Å; V280-I283 WeakPolarHBondContact O-CB 3.28Å; V280-I283 PolarHBondContact O-N 2.68Å; E281-I283 VanDerWaalsContact C-N 3.31Å; E281-I283 PolarHBondContact O-N 3.13Å; I283-P287 VanDerWaalsContact O-CA 3.26Å; I283-P287 WeakPolarHBondContact O-CA 3.39Å; I283-P287 VanDerWaalsContact O-CB 3.27Å; I283-P287 WeakPolarHBondContact O-CB 3.44Å; I283-P287 VanDerWaalsContact O-CD 3.32Å; I283-P287 WeakPolarHBondContact O-CD 3.1Å; I283-Y290 HydrophobicContact CB-CE2 4.42Å; I283-Y290 HydrophobicContact CG1-CD2 3.95Å; I283-Y290 HydrophobicContact CG1-CE2 3.65Å; I283-M292 HydrophobicContact CG2-CE 3.89Å; I283-M292 HydrophobicContact CG2-SD 4.24Å; I283-L300 HydrophobicContact CG2-CD2 3.69Å
284	Y	97	Very high	96.7	Very high	58 Å²	58	54 Å²	54	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	-79.5	-33.1	-179.3	-73.4	-78	0	0	0	112.8	P244 C245 V280 E281 C299 L300 V302 P304	P244-Y284 WeakPolarHBondContact CA-OH 3.07Å; C245-Y284 HydrophobicContact CB-CE2 3.85Å; C245-Y284 PolarHBondContact N-OH 3.28Å; V280-Y284 HydrophobicContact CG1-CD2 4.03Å; V280-Y284 HydrophobicContact CG1-CE2 3.83Å; V280-Y284 WeakPolarHBondContact O-CD2 3.27Å; V280-Y284 PolarHBondContact O-N 3.01Å; E281-Y284 PolarHBondContact O-N 3.41Å; Y284-C299 PolarHBondContact OH-O 2.88Å; Y284-L300 HydrophobicContact CD1-CD2 4.15Å; Y284-L300 HydrophobicContact CE1-CD2 4.34Å; Y284-V302 VanDerWaalsContact CE1-O 3.28Å; Y284-V302 WeakPolarHBondContact CE1-O 3.14Å; Y284-V302 PolarHBondContact OH-O 3.49Å; Y284-P304 HydrophobicContact CD2-CB 4.26Å; Y284-P304 HydrophobicContact CD2-CG 3.95Å; Y284-P304 HydrophobicContact CE2-CB 3.8Å; Y284-P304 HydrophobicContact CE2-CG 3.88Å; Y284-P304 HydrophobicContact CG-CG 4.41Å
285	D	96.9	Very high	96.5	Very high	112 Å²	112	54.9 Å²	54.9	60%	0.599	30%	0.298	S	S	*	.	H	α-helix	trans	-73	-42.5	-179.4	-171.3	43.3	0	0	0	112.3	Y58 E281	Y58-D285 WeakPolarHBondContact CE2-OD2 3.39Å; Y58-D285 VanDerWaalsContact CZ-OD2 3.28Å; Y58-D285 PolarHBondContact OH-OD2 2.92Å; E281-D285 VanDerWaalsContact O-CB 3.3Å; E281-D285 WeakPolarHBondContact O-CB 3.26Å; E281-D285 PolarHBondContact O-N 2.6Å
286	N	97	Very high	96.4	Very high	44 Å²	44	58.3 Å²	58.3	24%	0.235	32%	0.32	C	S	.	.			trans	-144.3	73.3	178.5	-171.8	9.9	0	0	0	112.4	Y58 T282 S288 M289	Y58-N286 HydrophobicContact CD2-CB 3.71Å; Y58-N286 HydrophobicContact CE2-CB 3.75Å; T282-N286 CarbonylContact O-C 3.42Å; T282-N286 PolarHBondContact O-N 3.17Å; N286-S288 PolarHBondContact O-N 2.99Å; N286-S288 VanDerWaalsContact O-N 3.13Å; N286-S288 PolarHBondContact OD1-OG 2.93Å; N286-M289 WeakPolarHBondContact O-CB 3.48Å; N286-M289 PolarHBondContact O-N 2.05Å; N286-M289 VanDerWaalsContact O-N 3.08Å
287	P	96.2	Very high	96.3	Very high	35 Å²	35	57 Å²	57	23%	0.227	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-61.2	-27	-177.5	22.9	-33.2	0	0	0	113.4	I283 M289 Y290 S291 M292 L300	I283-P287 VanDerWaalsContact O-CA 3.26Å; I283-P287 WeakPolarHBondContact O-CA 3.39Å; I283-P287 VanDerWaalsContact O-CB 3.27Å; I283-P287 WeakPolarHBondContact O-CB 3.44Å; I283-P287 VanDerWaalsContact O-CD 3.32Å; I283-P287 WeakPolarHBondContact O-CD 3.1Å; P287-M289 PolarHBondContact O-N 2.94Å; P287-Y290 PolarHBondContact O-N 3.1Å; P287-S291 PolarHBondContact O-N 3.49Å; P287-M292 CarbonylContact C-O 3.2Å; P287-M292 HydrophobicContact CB-CB 4.05Å; P287-M292 WeakPolarHBondContact O-CB 3.45Å; P287-M292 PolarHBondContact O-N 3.47Å; P287-L300 HydrophobicContact CB-CD1 3.62Å; P287-L300 HydrophobicContact CB-CD2 3.98Å; P287-L300 HydrophobicContact CB-CG 4.48Å; P287-L300 HydrophobicContact CG-CD1 4.25Å
288	S	95.3	Very high	96.3	Very high	78 Å²	78	55.4 Å²	55.4	55%	0.545	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-62.4	-25.4	178.7	77.2	0	0	0	0	113	N286 Y290 S291	N286-S288 PolarHBondContact O-N 2.99Å; N286-S288 VanDerWaalsContact O-N 3.13Å; N286-S288 PolarHBondContact OD1-OG 2.93Å; S288-Y290 PolarHBondContact O-N 3.28Å; S288-S291 PolarHBondContact O-N 2.98Å
289	M	95.6	Very high	96.3	Very high	17 Å²	17	51.2 Å²	51.2	8%	0.084	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-56.3	-32.3	172.4	-174.1	171.6	69.3	0	0	112.3	E55 Y58 F59 N286 P287	E55-M289 HydrophobicContact CB-CG 4.1Å; E55-M289 HydrophobicContact CB-SD 4.23Å; E55-M289 HydrophobicContact CG-CG 4.44Å; E55-M289 HydrophobicContact CG-SD 4.08Å; Y58-M289 WeakPolarHBondContact CB-SD 3.49Å; Y58-M289 HydrophobicContact CD1-CE 4.19Å; Y58-M289 HydrophobicContact CD1-SD 3.76Å; Y58-M289 HydrophobicContact CD2-SD 4.47Å; Y58-M289 HydrophobicContact CG-CE 4.45Å; Y58-M289 HydrophobicContact CG-SD 3.64Å; F59-M289 HydrophobicContact CD2-SD 4.41Å; F59-M289 HydrophobicContact CE2-CE 4.02Å; F59-M289 HydrophobicContact CE2-SD 4Å; N286-M289 WeakPolarHBondContact O-CB 3.48Å; N286-M289 PolarHBondContact O-N 2.05Å; N286-M289 VanDerWaalsContact O-N 3.08Å; P287-M289 PolarHBondContact O-N 2.94Å
290	Y	95.7	Very high	96.2	Very high	19 Å²	19	52.7 Å²	52.7	8%	0.075	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-101.3	11.2	178.8	-58.6	-69.1	0	0	0	113	P234 T282 I283 P287 S288 M292	P234-Y290 VanDerWaalsContact CD-CD1 3.48Å; P234-Y290 HydrophobicContact CG-CD1 3.51Å; P234-Y290 HydrophobicContact CG-CD2 3.94Å; P234-Y290 HydrophobicContact CG-CE1 3.92Å; P234-Y290 HydrophobicContact CG-CE2 4.3Å; P234-Y290 HydrophobicContact CG-CG 3.51Å; T282-Y290 PolarHBondContact OG1-OH 3.04Å; I283-Y290 HydrophobicContact CB-CE2 4.42Å; I283-Y290 HydrophobicContact CG1-CD2 3.95Å; I283-Y290 HydrophobicContact CG1-CE2 3.65Å; P287-Y290 PolarHBondContact O-N 3.1Å; S288-Y290 PolarHBondContact O-N 3.28Å; Y290-M292 HydrophobicContact CD2-SD 4.47Å; Y290-M292 HydrophobicContact CG-SD 4.36Å; Y290-M292 PolarHBondContact O-N 3.22Å
291	S	95.2	Very high	96.1	Very high	109 Å²	109	55.1 Å²	55.1	76%	0.762	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	28.8	-170.8	-51.7	0	0	0	0	113.6	P287 S288	P287-S291 PolarHBondContact O-N 3.49Å; S288-S291 PolarHBondContact O-N 2.98Å
292	M	96.5	Very high	95.9	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.02	30%	0.298	C	S	.	.			trans	-97.8	143.6	179.1	-62.6	171.7	65	0	0	110.7	P234 W236 T239 I283 P287 Y290 S297 L300	P234-M292 HydrophobicContact CB-SD 3.89Å; P234-M292 HydrophobicContact CG-SD 3.78Å; W236-M292 HydrophobicContact CZ3-CG 4.2Å; W236-M292 HydrophobicContact CZ3-SD 4.25Å; T239-M292 HydrophobicContact CG2-CE 3.68Å; T239-M292 HydrophobicContact CG2-SD 4.36Å; I283-M292 HydrophobicContact CG2-CE 3.89Å; I283-M292 HydrophobicContact CG2-SD 4.24Å; P287-M292 CarbonylContact C-O 3.2Å; P287-M292 HydrophobicContact CB-CB 4.05Å; P287-M292 WeakPolarHBondContact O-CB 3.45Å; P287-M292 PolarHBondContact O-N 3.47Å; Y290-M292 HydrophobicContact CD2-SD 4.47Å; Y290-M292 HydrophobicContact CG-SD 4.36Å; Y290-M292 PolarHBondContact O-N 3.22Å; M292-S297 WeakPolarHBondContact CG-OG 3.29Å; M292-L300 HydrophobicContact CB-CD1 4.01Å; M292-L300 HydrophobicContact CE-CD1 4.41Å; M292-L300 HydrophobicContact CE-CG 4.3Å
293	T	96.3	Very high	95.3	Very high	59 Å²	59	60 Å²	60	36%	0.362	34%	0.335	S	S	.	.			trans	-137.8	166.2	168.8	76.2	0	0	0	0	109.5	E295 T296 S297	T293-E295 WeakPolarHBondContact CB-OE2 3.29Å; T293-E295 PolarHBondContact O-N 3.41Å; T293-E295 PolarHBondContact OG1-N 3.21Å; T293-E295 PolarHBondContact OG1-OE2 3.07Å; T293-T296 PolarHBondContact N-OG1 3.03Å; T293-T296 PolarHBondContact O-N 3.27Å; T293-T296 VanDerWaalsContact O-N 3.17Å; T293-T296 PolarHBondContact O-OG1 3.03Å; T293-T296 PolarHBondContact OG1-N 2.74Å; T293-T296 PolarHBondContact OG1-OG1 3.04Å; T293-S297 WeakPolarHBondContact O-CB 3.3Å; T293-S297 PolarHBondContact O-N 2.99Å
294	A	93.5	Very high	94.5	Very high	50 Å²	50	66.3 Å²	66.3	41%	0.413	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.3	177.7	0	0	0	0	0	112.5	T301	A294-T301 HydrophobicContact CB-CG2 4.42Å
295	E	93.3	Very high	94.3	Very high	155 Å²	155	66.7 Å²	66.7	72%	0.724	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-36.4	176.6	-56.5	73.8	-157.9	0	0	112.7	T293	T293-E295 WeakPolarHBondContact CB-OE2 3.29Å; T293-E295 PolarHBondContact O-N 3.41Å; T293-E295 PolarHBondContact OG1-N 3.21Å; T293-E295 PolarHBondContact OG1-OE2 3.07Å
296	T	94.6	Very high	94.2	Very high	89 Å²	89	64.3 Å²	64.3	55%	0.546	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-21.4	-177.3	62.7	0	0	0	0	113.2	T293	T293-T296 PolarHBondContact N-OG1 3.03Å; T293-T296 PolarHBondContact O-N 3.27Å; T293-T296 VanDerWaalsContact O-N 3.17Å; T293-T296 PolarHBondContact O-OG1 3.03Å; T293-T296 PolarHBondContact OG1-N 2.74Å; T293-T296 PolarHBondContact OG1-OG1 3.04Å
297	S	97	Very high	94.1	Very high	5 Å²	5	65.4 Å²	65.4	4%	0.035	38%	0.38	C	S	.	.			trans	-134.6	88.9	-173	-60	0	0	0	0	110.6	T239 M292 T293 C299 L300	T239-S297 CarbonylContact O-C 3.22Å; T239-S297 VanDerWaalsContact O-C 3.22Å; T239-S297 VanDerWaalsContact O-CA 3.3Å; T239-S297 WeakPolarHBondContact O-CA 3.3Å; M292-S297 WeakPolarHBondContact CG-OG 3.29Å; T293-S297 WeakPolarHBondContact O-CB 3.3Å; T293-S297 PolarHBondContact O-N 2.99Å; S297-C299 PolarHBondContact O-N 3.44Å; S297-L300 WeakPolarHBondContact O-CB 3.43Å; S297-L300 PolarHBondContact O-N 3.04Å; S297-L300 VanDerWaalsContact O-N 3.07Å
298	L	96.6	Very high	93.9	Very high	80 Å²	80	67.2 Å²	67.2	42%	0.419	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-56.2	-23.2	-178.7	-74.4	176	0	0	0	113.7	T239 W240 K241 L300 T301	T239-L298 PolarHBondContact O-N 3.49Å; W240-L298 VanDerWaalsContact O-CD1 3.29Å; W240-L298 WeakPolarHBondContact O-CD1 3.32Å; K241-L298 CarbonylContact O-C 3.22Å; L298-L300 PolarHBondContact O-N 3.17Å; L298-T301 WeakPolarHBondContact O-CB 3.09Å; L298-T301 PolarHBondContact O-N 3.35Å; L298-T301 PolarHBondContact O-OG1 2.63Å
299	C	97.7	Very high	93.8	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-62.3	-27.2	178.3	76.5	0	0	0	0	113.1	T239 K241 E243 C245 Y284 S297 T301 V302	T239-C299 PolarHBondContact O-N 2.84Å; K241-C299 VanDerWaalsContact O-CA 3.29Å; K241-C299 WeakPolarHBondContact O-CA 3.01Å; K241-C299 PolarHBondContact O-N 2.94Å; E243-C299 WeakPolarHBondContact O-CA 2.89Å; E243-C299 WeakPolarHBondContact O-CB 3.47Å; C245-C299 VanDerWaalsContact CA-SG 3.54Å; C245-C299 HydrophobicContact CB-CB 3.92Å; C245-C299 WeakPolarHBondContact CB-SG 3.49Å; C245-C299 WeakPolarHBondContact SG-CB 3.44Å; C245-C299 CovalentContact SG-SG 2.05Å; C245-C299 PolarHBondContact SG-SG 3.41Å; Y284-C299 PolarHBondContact OH-O 2.88Å; S297-C299 PolarHBondContact O-N 3.44Å; C299-T301 PolarHBondContact O-N 3.04Å; C299-V302 PolarHBondContact O-N 3.17Å
300	L	97.3	Very high	93.7	Very high	31 Å²	31	69.9 Å²	69.9	16%	0.162	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-67.7	-19.5	177.2	-69.8	171.5	0	0	0	112.9	C245 I283 Y284 P287 M292 S297 L298 V302	C245-L300 PolarHBondContact SG-N 2.66Å; C245-L300 VanDerWaalsContact SG-N 3.41Å; I283-L300 HydrophobicContact CG2-CD2 3.69Å; Y284-L300 HydrophobicContact CD1-CD2 4.15Å; Y284-L300 HydrophobicContact CE1-CD2 4.34Å; P287-L300 HydrophobicContact CB-CD1 3.62Å; P287-L300 HydrophobicContact CB-CD2 3.98Å; P287-L300 HydrophobicContact CB-CG 4.48Å; P287-L300 HydrophobicContact CG-CD1 4.25Å; M292-L300 HydrophobicContact CB-CD1 4.01Å; M292-L300 HydrophobicContact CE-CD1 4.41Å; M292-L300 HydrophobicContact CE-CG 4.3Å; S297-L300 WeakPolarHBondContact O-CB 3.43Å; S297-L300 PolarHBondContact O-N 3.04Å; S297-L300 VanDerWaalsContact O-N 3.07Å; L298-L300 PolarHBondContact O-N 3.17Å; L300-V302 PolarHBondContact O-N 3.35Å
301	T	95	Very high	93.6	Very high	84 Å²	84	73.5 Å²	73.5	52%	0.515	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-78.7	-11.4	178.6	70.8	0	0	0	0	112.9	A294 L298 C299	A294-T301 HydrophobicContact CB-CG2 4.42Å; L298-T301 WeakPolarHBondContact O-CB 3.09Å; L298-T301 PolarHBondContact O-N 3.35Å; L298-T301 PolarHBondContact O-OG1 2.63Å; C299-T301 PolarHBondContact O-N 3.04Å
302	V	93.2	Very high	93.5	Very high	45 Å²	45	70.8 Å²	70.8	27%	0.273	40%	0.395	S	S	.	.	S	Bend	trans	-110.9	128.3	179.1	-170.9	0	0	0	0	108.6	P244 Y284 C299 L300	P244-V302 HydrophobicContact CG-CG1 3.86Å; Y284-V302 VanDerWaalsContact CE1-O 3.28Å; Y284-V302 WeakPolarHBondContact CE1-O 3.14Å; Y284-V302 PolarHBondContact OH-O 3.49Å; C299-V302 PolarHBondContact O-N 3.17Å; L300-V302 PolarHBondContact O-N 3.35Å
303	K	84.2	Confident	93.2	Very high	184 Å²	184	76.3 Å²	76.3	80%	0.8	43%	0.427	S	S	*	.			trans	-67.8	145.5	178.4	-71.7	-171.9	176.8	-175.5	0	111.3
304	P	80.1	Confident	92.9	Very high	134 Å²	134	77.9 Å²	77.9	87%	0.87	43%	0.433	S	S	*	.			trans	-64.8	0	173.4	27.8	-32.1	0	0	0	112.7	V280 Y284	V280-P304 HydrophobicContact CG1-CB 4.42Å; Y284-P304 HydrophobicContact CD2-CB 4.26Å; Y284-P304 HydrophobicContact CD2-CG 3.95Å; Y284-P304 HydrophobicContact CE2-CB 3.8Å; Y284-P304 HydrophobicContact CE2-CG 3.88Å; Y284-P304 HydrophobicContact CG-CG 4.41Å

Retrieved 304 of 304 residues in 522.6 ms (Link to these results)

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