A0A096NJU6_PAPAN Loading...

Sulfurtransferase

AlphaFold DB , UniProt , Accession A0A096NJU6, Species PAPAN (Papio anubis, Olive baboon), Gene MPST, Length 317 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	38.4	Very low	39.8	Very low	246 Å²	246	155.3 Å²	155.3	100%	1.212	88%	0.881	S	S	*	*				0	139	0	-77.5	-170.4	-71.3	0	0	107.3
2	A	39.9	Very low	39.8	Very low	103 Å²	103	154.8 Å²	154.8	85%	0.851	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-53	142	-157.5	0	0	0	0	0	116.9
3	E	39.8	Very low	39.8	Very low	190 Å²	190	149.9 Å²	149.9	89%	0.888	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-84.5	144.6	159.1	-70.8	-173.4	151.3	0	0	110
4	P	46.6	Very low	39.8	Very low	129 Å²	129	156.1 Å²	156.1	84%	0.838	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-89.4	139.5	-178.2	34.2	-30.6	0	0	0	112.5
5	G	35.5	Very low	39.6	Very low	81 Å²	81	153 Å²	153	84%	0.835	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-71	149.4	-173.5	0	0	0	0	0	116.3
6	S	40.7	Very low	39.4	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-83	123.8	166.3	49.7	0	0	0	0	110.7	E8	S6-E8 PolarHBondContact O-N 2.86Å
7	Q	39.7	Very low	39.4	Very low	197 Å²	197	148.8 Å²	148.8	92%	0.921	85%	0.851	S	S	*	*			trans	-76.9	112.5	166.3	-77	176.8	-31	0	0	109.2
8	E	38.8	Very low	39.5	Very low	189 Å²	189	147.7 Å²	147.7	88%	0.883	85%	0.847	S	S	*	*			trans	-90.6	118.7	162.4	-74.8	-175.2	151.2	0	0	108.9	S6	S6-E8 PolarHBondContact O-N 2.86Å
9	S	39.7	Very low	39.5	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	84%	0.838	S	S	*	*			trans	-84.9	110	172.7	55.6	0	0	0	0	109.9	I11	S9-I11 PolarHBondContact O-N 2.71Å
10	E	39.8	Very low	39.7	Very low	193 Å²	193	144 Å²	144	90%	0.902	84%	0.839	S	S	*	*			trans	-68.9	111.6	172.3	-116.1	176.5	166.4	0	0	110.7	L12	E10-L12 PolarHBondContact O-N 2.92Å
11	I	39.2	Very low	39.7	Very low	157 Å²	157	145.4 Å²	145.4	81%	0.805	84%	0.839	S	S	*	*			trans	-86	98.7	169.5	-61.7	175.2	0	0	0	107.6	S9 A13	S9-I11 PolarHBondContact O-N 2.71Å; I11-A13 PolarHBondContact O-N 3.41Å
12	L	39.8	Very low	39.9	Very low	150 Å²	150	137.7 Å²	137.7	79%	0.785	82%	0.815	S	S	*	*			trans	-72.2	104.4	173.5	-161.8	80.7	0	0	0	109.8	E10 R14	E10-L12 PolarHBondContact O-N 2.92Å; L12-R14 PolarHBondContact O-N 2.68Å
13	A	39.6	Very low	40.5	Very low	91 Å²	91	138.2 Å²	138.2	75%	0.752	81%	0.81	S	S	*	*			trans	-64.8	112.6	172.4	0	0	0	0	0	110.3	I11 S15	I11-A13 PolarHBondContact O-N 3.41Å; A13-S15 PolarHBondContact O-N 2.78Å
14	R	39.5	Very low	41.4	Very low	237 Å²	237	134.2 Å²	134.2	89%	0.894	80%	0.8	S	S	*	*			trans	-77.9	114.2	170.6	-73.1	-177.8	172.1	-171.9	-2.3	109.3	L12	L12-R14 PolarHBondContact O-N 2.68Å
15	S	37	Very low	43	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-60.5	136.8	168.6	-53.9	0	0	0	0	110.6	A13 S17	A13-S15 PolarHBondContact O-N 2.78Å; S15-S17 PolarHBondContact O-N 3.22Å
16	P	36.2	Very low	45.8	Very low	123 Å²	123	136.5 Å²	136.5	80%	0.799	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-69.4	123.4	175.9	26.5	-29.6	0	0	0	109.7	V18	P16-V18 PolarHBondContact O-N 2.93Å
17	S	40.2	Very low	48.5	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-54.9	119.6	168.6	175.8	0	0	0	0	109.3	S15 A19	S15-S17 PolarHBondContact O-N 3.22Å; S17-A19 PolarHBondContact O-N 3.3Å
18	V	41.1	Very low	51.3	Low	129 Å²	129	128.7 Å²	128.7	78%	0.782	73%	0.725	S	S	*	*			trans	-65.3	102.8	166.4	176.9	0	0	0	0	106.2	P16 T20	P16-V18 PolarHBondContact O-N 2.93Å; V18-T20 PolarHBondContact O-N 2.99Å
19	A	39.9	Very low	54.1	Low	80 Å²	80	119.8 Å²	119.8	66%	0.661	69%	0.685	S	S	*	*			trans	-59.2	109	169.9	0	0	0	0	0	107.8	S17 M21	S17-A19 PolarHBondContact O-N 3.3Å; A19-M21 VanDerWaalsContact C-N 3.31Å; A19-M21 PolarHBondContact O-N 2.86Å
20	T	42.5	Very low	57	Low	140 Å²	140	116.6 Å²	116.6	86%	0.859	66%	0.659	S	S	*	*			trans	-59.8	97.3	165.8	7.3	0	0	0	0	107	V18 A22	V18-T20 PolarHBondContact O-N 2.99Å; T20-A22 PolarHBondContact O-N 3.48Å
21	M	39.7	Very low	59.8	Low	174 Å²	174	107.8 Å²	107.8	86%	0.857	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-58.3	122.6	170	-70.7	-172.2	75	0	0	107.4	A19	A19-M21 VanDerWaalsContact C-N 3.31Å; A19-M21 PolarHBondContact O-N 2.86Å
22	A	43.3	Very low	62.6	Low	84 Å²	84	103.2 Å²	103.2	69%	0.694	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-53.4	136.4	170.4	0	0	0	0	0	108.4	T20	T20-A22 PolarHBondContact O-N 3.48Å
23	P	53	Low	65.4	Low	114 Å²	114	96.2 Å²	96.2	74%	0.74	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-55.3	136.6	179	20.9	-30.2	0	0	0	109.1	Q25	P23-Q25 PolarHBondContact O-N 2.84Å
24	P	57.7	Low	68.2	Low	106 Å²	106	96 Å²	96	69%	0.688	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-57	129.3	-177.5	21.6	-31.3	0	0	0	109.6	L26	P24-L26 PolarHBondContact O-N 3.33Å
25	Q	81.1	Confident	71	Confident	197 Å²	197	87.2 Å²	87.2	92%	0.921	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-61.6	120.7	-179.5	-167.3	173.1	20.1	0	0	109.6	P23	P23-Q25 PolarHBondContact O-N 2.84Å
26	L	94.1	Very high	73.9	Confident	62 Å²	62	82 Å²	82	33%	0.325	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-66.9	136.1	179.6	-66.1	-175.3	0	0	0	110.7	P24 Y282 P287	P24-L26 PolarHBondContact O-N 3.33Å; L26-Y282 HydrophobicContact CB-CE1 4.02Å; L26-Y282 HydrophobicContact CB-CE2 4.47Å; L26-Y282 WeakPolarHBondContact CB-OH 3.29Å; L26-Y282 HydrophobicContact CD1-CD1 4.33Å; L26-Y282 HydrophobicContact CD1-CD2 4.35Å; L26-Y282 HydrophobicContact CD1-CE1 4.11Å; L26-Y282 HydrophobicContact CD1-CE2 4.11Å; L26-Y282 HydrophobicContact CD1-CG 4.45Å; L26-Y282 HydrophobicContact CD2-CE2 3.99Å; L26-Y282 HydrophobicContact CG-CE2 4.42Å; L26-P287 HydrophobicContact CD1-CB 4.12Å; L26-P287 HydrophobicContact CD1-CG 4.48Å; L26-P287 HydrophobicContact CD2-CB 3.62Å; L26-P287 HydrophobicContact CD2-CG 3.94Å
27	F	97.3	Very high	76.9	Confident	53 Å²	53	76.5 Å²	76.5	23%	0.232	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-66.2	143.4	170	-170.2	-92.4	0	0	0	109.2	A29 H116 R143 A144 S146 Y282	F27-A29 PolarHBondContact O-N 2.7Å; F27-H116 AromaticContact CE1-CD2 3.74Å; F27-H116 AromaticContact CE1-NE2 3.53Å; F27-H116 AromaticContact CZ-CD2 3.71Å; F27-H116 AromaticContact CZ-NE2 3.73Å; F27-R143 WeakPolarHBondContact CB-O 3.26Å; F27-R143 WeakPolarHBondContact CD1-O 3.36Å; F27-R143 WeakPolarHBondContact CG-O 3.33Å; F27-A144 HydrophobicContact CE1-CB 4.48Å; F27-A144 HydrophobicContact CE2-CB 4.11Å; F27-A144 HydrophobicContact CZ-CB 4.06Å; F27-S146 WeakPolarHBondContact CE1-OG 3.42Å; F27-Y282 PolarHBondContact N-OH 2.88Å; F27-Y282 VanDerWaalsContact O-CE1 3.3Å; F27-Y282 WeakPolarHBondContact O-CE1 3.23Å; F27-Y282 PolarHBondContact O-OH 3.33Å
28	R	97.8	Very high	79.6	Confident	94 Å²	94	75.8 Å²	75.8	36%	0.355	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-57.9	123.3	-178.3	60	177.3	177.5	-93.9	-8.1	111.1	W35 H116 S146	R28-W35 VanDerWaalsContact NH2-CZ2 3.28Å; R28-H116 PolarHBondContact NH2-CE1 2.73Å; R28-H116 PolarHBondContact NH2-ND1 3.4Å; R28-H116 VanDerWaalsContact NH2-ND1 3.11Å; R28-S146 PolarHBondContact O-OG 2.82Å
29	A	98.7	Very high	82.2	Confident	3 Å²	3	70.6 Å²	70.6	3%	0.025	40%	0.397	C	S	.	.	S	Bend	trans	-82.8	-23.1	176.6	0	0	0	0	0	112.6	F27 W134 S146 L147 L279 Y282 L283	F27-A29 PolarHBondContact O-N 2.7Å; A29-W134 HydrophobicContact CB-CZ2 4.14Å; A29-S146 CarbonylContact O-C 3.53Å; A29-S146 VanDerWaalsContact O-CA 3.28Å; A29-S146 WeakPolarHBondContact O-CA 3.38Å; A29-L147 PolarHBondContact O-N 2.8Å; A29-L279 HydrophobicContact CB-CD1 3.74Å; A29-Y282 HydrophobicContact CB-CD1 3.62Å; A29-Y282 HydrophobicContact CB-CE1 3.64Å; A29-L283 HydrophobicContact CB-CD2 4.19Å
30	L	98.9	Very high	84.8	Confident	41 Å²	41	69.9 Å²	69.9	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145	179.5	-62.5	177.5	0	0	0	111.4	L147 D149 E243 L283	L30-L147 WeakPolarHBondContact CA-O 3.42Å; L30-L147 HydrophobicContact CD2-CB 4.02Å; L30-D149 HydrophobicContact CD2-CB 4.41Å; L30-E243 HydrophobicContact CD1-CB 3.74Å; L30-E243 HydrophobicContact CD1-CG 4.04Å; L30-L283 HydrophobicContact CD1-CD1 3.82Å; L30-L283 HydrophobicContact CD1-CD2 4.04Å; L30-L283 HydrophobicContact CG-CD1 4.39Å; L30-L283 HydrophobicContact CG-CD2 4.12Å
31	V	98.8	Very high	87.3	Confident	7 Å²	7	72 Å²	72	4%	0.042	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.5	164.3	-67.2	0	0	0	0	109.3	W35 V36 V118 L147 D149	V31-W35 HydrophobicContact CB-CD2 4.02Å; V31-W35 HydrophobicContact CB-CE3 3.56Å; V31-W35 HydrophobicContact CB-CG 4.47Å; V31-W35 HydrophobicContact CB-CZ3 4.15Å; V31-W35 HydrophobicContact CG1-CD2 3.93Å; V31-W35 HydrophobicContact CG1-CE3 3.65Å; V31-W35 HydrophobicContact CG1-CH2 4.36Å; V31-W35 HydrophobicContact CG1-CZ3 3.89Å; V31-W35 HydrophobicContact CG2-CE3 3.92Å; V31-W35 HydrophobicContact CG2-CZ3 4.19Å; V31-V36 HydrophobicContact CG2-CG2 3.83Å; V31-V118 HydrophobicContact CG2-CB 4.46Å; V31-V118 HydrophobicContact CG2-CG1 3.6Å; V31-V118 HydrophobicContact CG2-CG2 3.94Å; V31-L147 WeakPolarHBondContact CG2-O 3.37Å; V31-L147 PolarHBondContact N-O 2.89Å; V31-D149 PolarHBondContact O-N 2.96Å
32	S	98.8	Very high	89.9	Confident	61 Å²	61	68.5 Å²	68.5	43%	0.427	36%	0.363	S	S	.	.			trans	-80	158.2	177	68.2	0	0	0	0	111.5	Q34 W35 V36	S32-Q34 VanDerWaalsContact C-N 3.26Å; S32-Q34 PolarHBondContact O-N 2.95Å; S32-W35 WeakPolarHBondContact O-CB 3.42Å; S32-W35 PolarHBondContact O-N 3.06Å; S32-W35 VanDerWaalsContact O-N 3.12Å; S32-W35 WeakPolarHBondContact OG-CB 3.36Å; S32-W35 PolarHBondContact OG-N 3.06Å; S32-W35 VanDerWaalsContact OG-N 3.14Å; S32-V36 PolarHBondContact O-N 3.3Å; S32-V36 VanDerWaalsContact O-N 3.1Å
33	A	98.5	Very high	92	Very high	4 Å²	4	69.6 Å²	69.6	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-57.8	-40	173.1	0	0	0	0	0	112.2	W35 V36 V37 L148 W155 F160	A33-W35 VanDerWaalsContact C-N 3.35Å; A33-W35 PolarHBondContact O-N 3.2Å; A33-V36 PolarHBondContact O-N 3.38Å; A33-V37 WeakPolarHBondContact O-CG2 3.43Å; A33-V37 PolarHBondContact O-N 3.21Å; A33-L148 HydrophobicContact CB-CD1 3.98Å; A33-W155 HydrophobicContact CB-CE3 3.96Å; A33-W155 HydrophobicContact CB-CZ3 4.45Å; A33-F160 HydrophobicContact CB-CD2 3.88Å; A33-F160 HydrophobicContact CB-CE2 3.57Å
34	Q	98.4	Very high	93.7	Very high	85 Å²	85	71.4 Å²	71.4	40%	0.397	36%	0.355	S	S	.	.	H	α-helix	trans	-59.1	-44.3	174.6	-178.4	61	29.8	0	0	112	S32 V36 V37 E38	S32-Q34 VanDerWaalsContact C-N 3.26Å; S32-Q34 PolarHBondContact O-N 2.95Å; Q34-V36 VanDerWaalsContact C-N 3.32Å; Q34-V36 PolarHBondContact O-N 3.08Å; Q34-V37 PolarHBondContact O-N 3.44Å; Q34-E38 PolarHBondContact NE2-OE1 3.39Å; Q34-E38 WeakPolarHBondContact O-CG 3.37Å; Q34-E38 PolarHBondContact O-N 2.87Å
35	W	98.4	Very high	94.9	Very high	54 Å²	54	71.5 Å²	71.5	21%	0.205	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-41.6	177	179.8	91.3	0	0	0	111.8	R28 V31 S32 A33 E38 A39 L49 H116 V118	R28-W35 VanDerWaalsContact NH2-CZ2 3.28Å; V31-W35 HydrophobicContact CB-CD2 4.02Å; V31-W35 HydrophobicContact CB-CE3 3.56Å; V31-W35 HydrophobicContact CB-CG 4.47Å; V31-W35 HydrophobicContact CB-CZ3 4.15Å; V31-W35 HydrophobicContact CG1-CD2 3.93Å; V31-W35 HydrophobicContact CG1-CE3 3.65Å; V31-W35 HydrophobicContact CG1-CH2 4.36Å; V31-W35 HydrophobicContact CG1-CZ3 3.89Å; V31-W35 HydrophobicContact CG2-CE3 3.92Å; V31-W35 HydrophobicContact CG2-CZ3 4.19Å; S32-W35 WeakPolarHBondContact O-CB 3.42Å; S32-W35 PolarHBondContact O-N 3.06Å; S32-W35 VanDerWaalsContact O-N 3.12Å; S32-W35 WeakPolarHBondContact OG-CB 3.36Å; S32-W35 PolarHBondContact OG-N 3.06Å; S32-W35 VanDerWaalsContact OG-N 3.14Å; A33-W35 VanDerWaalsContact C-N 3.35Å; A33-W35 PolarHBondContact O-N 3.2Å; W35-E38 PolarHBondContact O-N 3.23Å; W35-A39 HydrophobicContact CE3-CB 4.32Å; W35-A39 HydrophobicContact CH2-CB 4.07Å; W35-A39 HydrophobicContact CZ2-CB 4.37Å; W35-A39 HydrophobicContact CZ3-CB 4.04Å; W35-A39 WeakPolarHBondContact O-CB 3.42Å; W35-A39 PolarHBondContact O-N 3.26Å; W35-L49 HydrophobicContact CH2-CD1 4.26Å; W35-L49 HydrophobicContact CZ3-CD1 4.22Å; W35-H116 AromaticContact CH2-CE1 3.5Å; W35-H116 AromaticContact CH2-ND1 3.47Å; W35-H116 WeakPolarHBondContact CH2-ND1 3.16Å; W35-V118 HydrophobicContact CZ3-CG2 4.06Å
36	V	98.4	Very high	95.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-42.5	177.8	172.7	0	0	0	0	111	V31 S32 A33 Q34 E38 A39 L40 L51 V118 L148 W155	V31-V36 HydrophobicContact CG2-CG2 3.83Å; S32-V36 PolarHBondContact O-N 3.3Å; S32-V36 VanDerWaalsContact O-N 3.1Å; A33-V36 PolarHBondContact O-N 3.38Å; Q34-V36 VanDerWaalsContact C-N 3.32Å; Q34-V36 PolarHBondContact O-N 3.08Å; V36-E38 VanDerWaalsContact C-N 3.31Å; V36-E38 PolarHBondContact O-N 3.04Å; V36-A39 PolarHBondContact O-N 3.37Å; V36-L40 HydrophobicContact CG1-CD1 4.14Å; V36-L40 HydrophobicContact CG1-CG 4.39Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.15Å; V36-L51 HydrophobicContact CG1-CD1 4.05Å; V36-L51 HydrophobicContact CG1-CD2 3.86Å; V36-V118 HydrophobicContact CG2-CG1 4.09Å; V36-L148 HydrophobicContact CG2-CD1 4.05Å; V36-W155 HydrophobicContact CB-CZ3 3.94Å; V36-W155 HydrophobicContact CG1-CH2 4.05Å; V36-W155 HydrophobicContact CG1-CZ3 3.72Å
37	V	97.8	Very high	95.1	Very high	7 Å²	7	65.6 Å²	65.6	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-57.6	-44.7	175.2	170.5	0	0	0	0	111.3	A33 Q34 L40 R41 W155 F160	A33-V37 WeakPolarHBondContact O-CG2 3.43Å; A33-V37 PolarHBondContact O-N 3.21Å; Q34-V37 PolarHBondContact O-N 3.44Å; V37-L40 PolarHBondContact O-N 3.37Å; V37-R41 WeakPolarHBondContact O-CG 3.45Å; V37-R41 PolarHBondContact O-N 3.36Å; V37-W155 HydrophobicContact CG2-CH2 3.47Å; V37-W155 VanDerWaalsContact CG2-CH2 3.47Å; V37-W155 HydrophobicContact CG2-CZ2 4.19Å; V37-W155 HydrophobicContact CG2-CZ3 3.81Å; V37-F160 HydrophobicContact CG2-CB 4.24Å; V37-F160 HydrophobicContact CG2-CD1 3.77Å; V37-F160 HydrophobicContact CG2-CD2 3.85Å; V37-F160 HydrophobicContact CG2-CE1 4.01Å; V37-F160 HydrophobicContact CG2-CE2 4.08Å; V37-F160 HydrophobicContact CG2-CG 3.7Å; V37-F160 HydrophobicContact CG2-CZ 4.16Å
38	E	97.1	Very high	95	Very high	96 Å²	96	66.3 Å²	66.3	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-66	-41.5	177.9	-71.6	168.8	-168.9	0	0	112.1	Q34 W35 V36 L40 R41 T42	Q34-E38 PolarHBondContact NE2-OE1 3.39Å; Q34-E38 WeakPolarHBondContact O-CG 3.37Å; Q34-E38 PolarHBondContact O-N 2.87Å; W35-E38 PolarHBondContact O-N 3.23Å; V36-E38 VanDerWaalsContact C-N 3.31Å; V36-E38 PolarHBondContact O-N 3.04Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.4Å; E38-R41 PolarHBondContact O-N 2.95Å; E38-T42 PolarHBondContact O-N 2.65Å; E38-T42 PolarHBondContact O-OG1 2.89Å
39	A	96.1	Very high	95	Very high	21 Å²	21	64.1 Å²	64.1	17%	0.174	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-36.1	178.2	0	0	0	0	0	112.5	W35 V36 T42 L49	W35-A39 HydrophobicContact CE3-CB 4.32Å; W35-A39 HydrophobicContact CH2-CB 4.07Å; W35-A39 HydrophobicContact CZ2-CB 4.37Å; W35-A39 HydrophobicContact CZ3-CB 4.04Å; W35-A39 WeakPolarHBondContact O-CB 3.42Å; W35-A39 PolarHBondContact O-N 3.26Å; V36-A39 PolarHBondContact O-N 3.37Å; A39-T42 CarbonylContact O-C 3.42Å; A39-T42 PolarHBondContact O-N 3.37Å; A39-L49 HydrophobicContact CB-CD2 3.91Å
40	L	95	Very high	94.9	Very high	65 Å²	65	65 Å²	65	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-34	174.2	-73	173.8	0	0	0	112.6	V36 V37 E38 L49 L51 I74 W155	V36-L40 HydrophobicContact CG1-CD1 4.14Å; V36-L40 HydrophobicContact CG1-CG 4.39Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.15Å; V37-L40 PolarHBondContact O-N 3.37Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.4Å; L40-L49 HydrophobicContact CD2-CD2 4.29Å; L40-L51 HydrophobicContact CD1-CD1 4.12Å; L40-L51 HydrophobicContact CD2-CD1 3.86Å; L40-L51 HydrophobicContact CG-CD1 4.3Å; L40-I74 HydrophobicContact CD1-CG2 4.13Å; L40-W155 HydrophobicContact CD1-CH2 4.28Å
41	R	94.8	Very high	94.9	Very high	183 Å²	183	63.2 Å²	63.2	69%	0.691	35%	0.354	S	S	*	.	H	α-helix	trans	-77.6	-31.8	176.8	-70.7	176.3	-177.6	164.8	2.7	112.9	V37 E38 P43	V37-R41 WeakPolarHBondContact O-CG 3.45Å; V37-R41 PolarHBondContact O-N 3.36Å; E38-R41 PolarHBondContact O-N 2.95Å; R41-P43 WeakPolarHBondContact O-CD 3.38Å
42	T	93.2	Very high	94.9	Very high	102 Å²	102	62.9 Å²	62.9	63%	0.626	35%	0.352	S	S	*	.	S	Bend	trans	-127.7	73.4	-174.8	-36.7	0	0	0	0	110.5	E38 A39 R44	E38-T42 PolarHBondContact O-N 2.65Å; E38-T42 PolarHBondContact O-OG1 2.89Å; A39-T42 CarbonylContact O-C 3.42Å; A39-T42 PolarHBondContact O-N 3.37Å; T42-R44 PolarHBondContact O-N 3.37Å
43	P	88.1	Confident	94.9	Very high	107 Å²	107	60.1 Å²	60.1	70%	0.695	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-57.9	134	179.6	-23.6	34.2	0	0	0	111.3	R41	R41-P43 WeakPolarHBondContact O-CD 3.38Å
44	R	88	Confident	95	Very high	152 Å²	152	59.9 Å²	59.9	57%	0.574	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-83.6	122.7	178.6	-67.9	-175.9	179.4	-165.8	-3	110.5	T42 G46 Q47	T42-R44 PolarHBondContact O-N 3.37Å; R44-G46 PolarHBondContact O-N 3.37Å; R44-Q47 PolarHBondContact O-N 3.35Å
45	A	84.3	Confident	95	Very high	108 Å²	108	56 Å²	56	89%	0.893	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	130.3	170	0	0	0	0	0	110.1	Q47	A45-Q47 VanDerWaalsContact C-N 3.33Å; A45-Q47 PolarHBondContact O-N 3.09Å
46	G	87.4	Confident	95	Very high	73 Å²	73	55.1 Å²	55.1	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-4.8	177.6	0	0	0	0	0	116.4	R44	R44-G46 PolarHBondContact O-N 3.37Å
47	Q	91.7	Very high	94.9	Very high	61 Å²	61	56 Å²	56	29%	0.285	31%	0.313	S	S	.	.	S	Bend	trans	-139.3	81.1	172.2	-175	169.9	60.6	0	0	109.3	R44 A45 H116	R44-Q47 PolarHBondContact O-N 3.35Å; A45-Q47 VanDerWaalsContact C-N 3.33Å; A45-Q47 PolarHBondContact O-N 3.09Å; Q47-H116 HydrophobicContact CG-CB 3.96Å
48	P	95.1	Very high	94.5	Very high	69 Å²	69	57.9 Å²	57.9	45%	0.448	32%	0.323	S	S	.	.			trans	-62.5	144.1	178.8	25.5	-31.4	0	0	0	110.4	T115 H116	P48-T115 CarbonylContact O-C 3.55Å; P48-T115 WeakPolarHBondContact O-CA 3.05Å; P48-H116 PolarHBondContact O-N 3Å
49	L	97	Very high	93.9	Very high	47 Å²	47	58.7 Å²	58.7	25%	0.246	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.4	174.8	178.9	69	0	0	0	108.8	W35 A39 L40 L51 H116 V118	W35-L49 HydrophobicContact CH2-CD1 4.26Å; W35-L49 HydrophobicContact CZ3-CD1 4.22Å; A39-L49 HydrophobicContact CB-CD2 3.91Å; L40-L49 HydrophobicContact CD2-CD2 4.29Å; L49-L51 HydrophobicContact CD2-CG 4.36Å; L49-L51 HydrophobicContact CG-CG 4.43Å; L49-H116 WeakPolarHBondContact CA-O 3.49Å; L49-V118 HydrophobicContact CD1-CB 4.12Å; L49-V118 HydrophobicContact CD1-CG2 3.56Å
50	Q	98.1	Very high	93.5	Very high	22 Å²	22	64.6 Å²	64.6	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.3	168.6	-173.2	59.3	56.9	0	0	109.5	L52 V78 L109 V111 T115 H116 V117 V118	Q50-L52 HydrophobicContact CG-CD2 3.86Å; Q50-V78 HydrophobicContact CG-CG2 4.49Å; Q50-L109 PolarHBondContact OE1-O 3.46Å; Q50-V111 HydrophobicContact CB-CG2 4.35Å; Q50-V111 HydrophobicContact CG-CG2 3.93Å; Q50-T115 HydrophobicContact CB-CG2 3.42Å; Q50-T115 VanDerWaalsContact CB-CG2 3.42Å; Q50-H116 PolarHBondContact N-O 3.38Å; Q50-V117 WeakPolarHBondContact O-CA 3.42Å; Q50-V118 PolarHBondContact O-N 3.4Å
51	L	98.6	Very high	93.2	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.7	174.7	-71.9	162.8	0	0	0	109.5	V36 L40 L49 I74 A77 V78 V118	V36-L51 HydrophobicContact CG1-CD1 4.05Å; V36-L51 HydrophobicContact CG1-CD2 3.86Å; L40-L51 HydrophobicContact CD1-CD1 4.12Å; L40-L51 HydrophobicContact CD2-CD1 3.86Å; L40-L51 HydrophobicContact CG-CD1 4.3Å; L49-L51 HydrophobicContact CD2-CG 4.36Å; L49-L51 HydrophobicContact CG-CG 4.43Å; L51-I74 HydrophobicContact CD1-CB 4.46Å; L51-I74 HydrophobicContact CD1-CG2 3.64Å; L51-A77 HydrophobicContact CB-CB 3.79Å; L51-A77 VanDerWaalsContact O-CA 3.31Å; L51-A77 WeakPolarHBondContact O-CA 3.49Å; L51-V78 PolarHBondContact O-N 3.09Å; L51-V118 CarbonylContact C-O 3.55Å; L51-V118 VanDerWaalsContact CA-O 3.3Å; L51-V118 WeakPolarHBondContact CA-O 3.24Å; L51-V118 HydrophobicContact CD2-CB 3.71Å; L51-V118 HydrophobicContact CD2-CG1 3.68Å
52	L	98.9	Very high	93.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.2	179.2	-57.7	-176.2	0	0	0	109.9	Q50 V78 F80 L109 V117 V118 I119 Y120 F137	Q50-L52 HydrophobicContact CG-CD2 3.86Å; L52-V78 WeakPolarHBondContact CA-O 3.36Å; L52-V78 HydrophobicContact CD2-CG2 3.31Å; L52-F80 HydrophobicContact CB-CB 4.27Å; L52-F80 HydrophobicContact CD1-CB 4.5Å; L52-F80 HydrophobicContact CD1-CD2 3.94Å; L52-L109 HydrophobicContact CD2-CB 4.45Å; L52-L109 HydrophobicContact CD2-CD1 4.23Å; L52-V117 HydrophobicContact CD1-CG1 3.42Å; L52-V117 VanDerWaalsContact CD1-CG1 3.42Å; L52-V117 HydrophobicContact CG-CG1 3.88Å; L52-V118 PolarHBondContact N-O 3.49Å; L52-I119 HydrophobicContact CB-CG1 4.26Å; L52-I119 HydrophobicContact CB-CG2 4.33Å; L52-I119 HydrophobicContact CD1-CG1 4.26Å; L52-I119 WeakPolarHBondContact O-CA 3.28Å; L52-Y120 WeakPolarHBondContact O-CD1 3.49Å; L52-Y120 PolarHBondContact O-N 3.39Å; L52-F137 HydrophobicContact CD1-CE2 3.52Å; L52-F137 HydrophobicContact CD1-CZ 3.77Å
53	D	98.9	Very high	93.3	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.011	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	109.5	163.6	-166.4	-35.4	0	0	0	108.4	S55 F69 V78 F79 F80 Y120	D53-S55 WeakPolarHBondContact OD1-CB 3.44Å; D53-S55 PolarHBondContact OD1-N 3.15Å; D53-S55 PolarHBondContact OD1-OG 3.29Å; D53-F69 HydrophobicContact CB-CD2 3.46Å; D53-F69 VanDerWaalsContact CB-CD2 3.46Å; D53-F69 HydrophobicContact CB-CE2 3.87Å; D53-F69 HydrophobicContact CB-CG 4.48Å; D53-V78 PolarHBondContact N-O 3.12Å; D53-F79 HydrophobicContact CB-CD2 4.16Å; D53-F79 CarbonylContact O-C 3.36Å; D53-F80 PolarHBondContact O-N 2.84Å; D53-Y120 HydrophobicContact CB-CE1 3.96Å; D53-Y120 HydrophobicContact CB-CE2 3.96Å; D53-Y120 WeakPolarHBondContact CB-OH 3.17Å; D53-Y120 VanDerWaalsContact CG-CE2 3.46Å; D53-Y120 WeakPolarHBondContact OD2-CE2 3.4Å; D53-Y120 VanDerWaalsContact OD2-CZ 3.23Å; D53-Y120 PolarHBondContact OD2-OH 2.92Å
54	A	98.8	Very high	93.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.343	C	S	.	.			trans	-104.5	27.9	-179.2	0	0	0	0	0	111.9	W56 F80 I119 Y120 S129 A130 V133	A54-W56 PolarHBondContact O-N 2.74Å; A54-F80 HydrophobicContact CB-CB 4.41Å; A54-I119 HydrophobicContact CB-CG2 3.54Å; A54-Y120 PolarHBondContact N-O 3.46Å; A54-S129 WeakPolarHBondContact O-CB 3.39Å; A54-S129 PolarHBondContact O-OG 3.29Å; A54-A130 HydrophobicContact CB-CB 4.43Å; A54-V133 HydrophobicContact CB-CB 4.16Å; A54-V133 HydrophobicContact CB-CG2 3.61Å
55	S	98.8	Very high	94.2	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.028	32%	0.321	C	S	.	.			trans	-59.6	129.4	-179.2	-62.5	0	0	0	0	111.7	D53 A65 D121 A122	D53-S55 WeakPolarHBondContact OD1-CB 3.44Å; D53-S55 PolarHBondContact OD1-N 3.15Å; D53-S55 PolarHBondContact OD1-OG 3.29Å; S55-A65 WeakPolarHBondContact O-CB 3.33Å; S55-D121 WeakPolarHBondContact OG-CA 3.45Å; S55-A122 PolarHBondContact OG-N 2.9Å
56	W	98.4	Very high	94.9	Very high	34 Å²	34	51.8 Å²	51.8	13%	0.129	30%	0.296	C	S	.	.			trans	-147.9	141.8	171.2	-176.9	94.8	0	0	0	109.2	A54 L58 I82 D83 H94 Y128 S129	A54-W56 PolarHBondContact O-N 2.74Å; W56-L58 HydrophobicContact CH2-CD2 3.76Å; W56-L58 HydrophobicContact CH2-CG 4.38Å; W56-L58 HydrophobicContact CZ3-CD2 3.9Å; W56-L58 HydrophobicContact CZ3-CG 4.12Å; W56-I82 HydrophobicContact CB-CD1 3.54Å; W56-I82 HydrophobicContact CB-CG1 3.89Å; W56-I82 HydrophobicContact CD2-CD1 3.85Å; W56-I82 HydrophobicContact CE3-CD1 4.44Å; W56-I82 HydrophobicContact CG-CD1 3.41Å; W56-I82 VanDerWaalsContact CG-CD1 3.41Å; W56-I82 HydrophobicContact CG-CG1 3.75Å; W56-D83 PolarHBondContact NE1-OD1 2.8Å; W56-D83 PolarHBondContact NE1-OD2 3.19Å; W56-H94 AromaticContact CE2-CE1 3.46Å; W56-H94 VanDerWaalsContact CE2-CE1 3.46Å; W56-H94 AromaticContact CE2-NE2 3.72Å; W56-H94 AromaticContact CH2-CE1 3.99Å; W56-H94 AromaticContact CH2-NE2 3.39Å; W56-H94 WeakPolarHBondContact CH2-NE2 3.22Å; W56-H94 AromaticContact CZ2-CE1 3.36Å; W56-H94 WeakPolarHBondContact CZ2-CE1 3.38Å; W56-H94 AromaticContact CZ2-NE2 3.24Å; W56-H94 WeakPolarHBondContact CZ2-NE2 3.36Å; W56-H94 AromaticContact NE1-CE1 3.68Å; W56-Y128 HydrophobicContact CE3-CE1 4.06Å; W56-Y128 HydrophobicContact CZ3-CE1 4.32Å; W56-Y128 WeakPolarHBondContact O-CD1 3.32Å; W56-S129 PolarHBondContact N-OG 2.72Å; W56-S129 VanDerWaalsContact N-OG 3.16Å
57	Y	96.3	Very high	95.3	Very high	18 Å²	18	55.6 Å²	55.6	7%	0.071	29%	0.288	C	S	.	.			trans	-128.6	145.6	-175.5	-54.9	-63.7	0	0	0	110.6	L61 R63 A65 E68 A122	Y57-L61 HydrophobicContact CD1-CD1 4.35Å; Y57-R63 HydrophobicContact CD2-CB 3.37Å; Y57-R63 HydrophobicContact CD2-CG 4.46Å; Y57-R63 HydrophobicContact CE2-CB 3.81Å; Y57-R63 HydrophobicContact CG-CB 3.87Å; Y57-R63 PolarHBondContact OH-NH2 3.29Å; Y57-A65 HydrophobicContact CD2-CB 3.9Å; Y57-A65 HydrophobicContact CE2-CB 3.67Å; Y57-E68 PolarHBondContact OH-OE2 3.16Å; Y57-A122 WeakPolarHBondContact OH-CB 3.32Å; Y57-A122 PolarHBondContact OH-O 3.32Å; Y57-A122 VanDerWaalsContact OH-O 3.06Å
58	L	90	Very high	95.6	Very high	47 Å²	47	55.1 Å²	55.1	25%	0.246	29%	0.286	C	S	.	.			trans	-58.9	139	167.3	-71.9	169.8	0	0	0	109.7	W56 K60 L61 P216	W56-L58 HydrophobicContact CH2-CD2 3.76Å; W56-L58 HydrophobicContact CH2-CG 4.38Å; W56-L58 HydrophobicContact CZ3-CD2 3.9Å; W56-L58 HydrophobicContact CZ3-CG 4.12Å; L58-K60 PolarHBondContact O-N 2.9Å; L58-L61 WeakPolarHBondContact O-CB 3.35Å; L58-L61 PolarHBondContact O-N 3.4Å; L58-P216 HydrophobicContact CD1-CB 4.32Å; L58-P216 HydrophobicContact CD1-CG 4.35Å; L58-P216 HydrophobicContact CD2-CB 3.92Å; L58-P216 HydrophobicContact CD2-CG 3.81Å
59	P	84.3	Confident	95.8	Very high	113 Å²	113	52.2 Å²	52.2	73%	0.734	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-52.5	-34.4	-175.9	-30.4	35.1	0	0	0	114.6	L61 G62	P59-L61 PolarHBondContact O-N 3.42Å; P59-L61 VanDerWaalsContact O-N 3.15Å; P59-G62 PolarHBondContact O-N 3.01Å
60	K	87.1	Confident	95.9	Very high	145 Å²	145	52.9 Å²	52.9	63%	0.63	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-62.8	-18.2	179.7	-65.2	-176.6	-178.4	176.7	0	114.1	L58 G62	L58-K60 PolarHBondContact O-N 2.9Å; K60-G62 VanDerWaalsContact C-N 3.31Å
61	L	89.5	Confident	95.9	Very high	103 Å²	103	56.4 Å²	56.4	54%	0.539	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-77.9	-15.2	176.1	-67.4	176.3	0	0	0	113	Y57 L58 P59 R63	Y57-L61 HydrophobicContact CD1-CD1 4.35Å; L58-L61 WeakPolarHBondContact O-CB 3.35Å; L58-L61 PolarHBondContact O-N 3.4Å; P59-L61 PolarHBondContact O-N 3.42Å; P59-L61 VanDerWaalsContact O-N 3.15Å; L61-R63 PolarHBondContact O-N 3.38Å
62	G	93.4	Very high	95.8	Very high	73 Å²	73	62.8 Å²	62.8	75%	0.753	31%	0.308	S	S	*	.			trans	62.5	22.5	176.4	0	0	0	0	0	114.6	P59 K60	P59-G62 PolarHBondContact O-N 3.01Å; K60-G62 VanDerWaalsContact C-N 3.31Å
63	R	96.9	Very high	95.8	Very high	74 Å²	74	63.1 Å²	63.1	28%	0.279	31%	0.31	S	S	.	.			trans	-99.3	142.9	178.8	-71.7	-179.7	70.5	177.3	-1.2	110.9	Y57 L61 E68 A122 D124	Y57-R63 HydrophobicContact CD2-CB 3.37Å; Y57-R63 HydrophobicContact CD2-CG 4.46Å; Y57-R63 HydrophobicContact CE2-CB 3.81Å; Y57-R63 HydrophobicContact CG-CB 3.87Å; Y57-R63 PolarHBondContact OH-NH2 3.29Å; L61-R63 PolarHBondContact O-N 3.38Å; R63-E68 WeakPolarHBondContact CB-OE1 3.41Å; R63-E68 WeakPolarHBondContact CG-OE1 3.48Å; R63-E68 IonicContact CZ-OE1 3.45Å; R63-E68 IonicContact CZ-OE2 3Å; R63-E68 IonicContact NE-OE1 3.14Å; R63-E68 PolarHBondContact NE-OE1 2.95Å; R63-E68 IonicContact NE-OE2 3.16Å; R63-E68 PolarHBondContact NE-OE2 3.1Å; R63-E68 IonicContact NH2-OE1 3.72Å; R63-E68 IonicContact NH2-OE2 2.68Å; R63-E68 PolarHBondContact NH2-OE2 3.22Å; R63-A122 PolarHBondContact NH1-O 3.23Å; R63-A122 PolarHBondContact NH2-O 2.85Å; R63-D124 IonicContact NH1-OD1 2.69Å; R63-D124 PolarHBondContact NH1-OD1 3.2Å; R63-D124 IonicContact NH1-OD2 3.14Å
64	D	97.6	Very high	95.8	Very high	88 Å²	88	63 Å²	63	47%	0.471	31%	0.309	S	S	.	.			trans	-110.7	97.3	175.7	-178.2	-22.2	0	0	0	108.8	R66 R67 E68	D64-R66 VanDerWaalsContact C-N 3.28Å; D64-R66 PolarHBondContact O-N 3.44Å; D64-R66 PolarHBondContact OD1-N 2.86Å; D64-R67 HydrophobicContact CB-CB 3.88Å; D64-R67 VanDerWaalsContact CG-CB 3.42Å; D64-R67 PolarHBondContact O-N 2.9Å; D64-R67 PolarHBondContact OD1-N 3.19Å; D64-E68 WeakPolarHBondContact O-CB 3Å; D64-E68 WeakPolarHBondContact O-CG 3.44Å; D64-E68 PolarHBondContact O-N 2.83Å
65	A	98.1	Very high	95.7	Very high	13 Å²	13	64.6 Å²	64.6	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-38	-175.5	0	0	0	0	0	113.3	S55 Y57 F69 F79	S55-A65 WeakPolarHBondContact O-CB 3.33Å; Y57-A65 HydrophobicContact CD2-CB 3.9Å; Y57-A65 HydrophobicContact CE2-CB 3.67Å; A65-F69 WeakPolarHBondContact O-CB 3.25Å; A65-F69 PolarHBondContact O-N 2.88Å; A65-F79 HydrophobicContact CB-CE2 4.01Å; A65-F79 HydrophobicContact CB-CZ 3.91Å
66	R	97.2	Very high	95.6	Very high	97 Å²	97	66.9 Å²	66.9	37%	0.366	34%	0.344	S	S	.	.	H	α-helix	trans	-69.6	-43.7	-179.7	177	172.3	-65.7	-76.5	1.5	110.7	D64 F69 E70 F79 D81	D64-R66 VanDerWaalsContact C-N 3.28Å; D64-R66 PolarHBondContact O-N 3.44Å; D64-R66 PolarHBondContact OD1-N 2.86Å; R66-F69 WeakPolarHBondContact O-CB 3.45Å; R66-F69 PolarHBondContact O-N 3.29Å; R66-E70 WeakPolarHBondContact O-CG 3.45Å; R66-E70 PolarHBondContact O-N 3.14Å; R66-F79 HydrophobicContact CB-CE1 4.15Å; R66-F79 HydrophobicContact CB-CZ 4.2Å; R66-F79 VanDerWaalsContact CZ-CD1 3.48Å; R66-F79 VanDerWaalsContact NH2-CD1 3.33Å; R66-D81 IonicContact CZ-OD2 3.74Å; R66-D81 IonicContact NE-OD2 3.8Å; R66-D81 IonicContact NH2-OD2 3.86Å; R66-D81 PolarHBondContact NH2-OD2 3.2Å
67	R	97.5	Very high	95.5	Very high	153 Å²	153	65.3 Å²	65.3	58%	0.577	34%	0.338	S	S	*	.	H	α-helix	trans	-64.3	-43.3	176.3	-177.5	179.4	172.3	165.3	3.1	111.5	D64 F69 E70 E71	D64-R67 HydrophobicContact CB-CB 3.88Å; D64-R67 VanDerWaalsContact CG-CB 3.42Å; D64-R67 PolarHBondContact O-N 2.9Å; D64-R67 PolarHBondContact OD1-N 3.19Å; R67-F69 VanDerWaalsContact C-N 3.3Å; R67-F69 PolarHBondContact O-N 2.89Å; R67-E70 PolarHBondContact O-N 2.87Å; R67-E70 VanDerWaalsContact O-N 3.17Å; R67-E71 IonicContact CZ-OE1 3.32Å; R67-E71 IonicContact NE-OE1 3.82Å; R67-E71 PolarHBondContact NE-OE1 3.04Å; R67-E71 IonicContact NH2-OE1 3.29Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.33Å
68	E	98.3	Very high	95.6	Very high	52 Å²	52	64.5 Å²	64.5	24%	0.243	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-40.4	176.8	-73.6	178.7	-162	0	0	112	Y57 R63 D64 E71 R72	Y57-E68 PolarHBondContact OH-OE2 3.16Å; R63-E68 WeakPolarHBondContact CB-OE1 3.41Å; R63-E68 WeakPolarHBondContact CG-OE1 3.48Å; R63-E68 IonicContact CZ-OE1 3.45Å; R63-E68 IonicContact CZ-OE2 3Å; R63-E68 IonicContact NE-OE1 3.14Å; R63-E68 PolarHBondContact NE-OE1 2.95Å; R63-E68 IonicContact NE-OE2 3.16Å; R63-E68 PolarHBondContact NE-OE2 3.1Å; R63-E68 IonicContact NH2-OE1 3.72Å; R63-E68 IonicContact NH2-OE2 2.68Å; R63-E68 PolarHBondContact NH2-OE2 3.22Å; D64-E68 WeakPolarHBondContact O-CB 3Å; D64-E68 WeakPolarHBondContact O-CG 3.44Å; D64-E68 PolarHBondContact O-N 2.83Å; E68-E71 PolarHBondContact O-N 2.98Å; E68-R72 PolarHBondContact O-N 2.86Å
69	F	98.6	Very high	96.1	Very high	7 Å²	7	63.1 Å²	63.1	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-47.7	171.9	170.2	-89.3	0	0	0	112	D53 A65 R66 R67 E71 R72 H73 A77 F79	D53-F69 HydrophobicContact CB-CD2 3.46Å; D53-F69 VanDerWaalsContact CB-CD2 3.46Å; D53-F69 HydrophobicContact CB-CE2 3.87Å; D53-F69 HydrophobicContact CB-CG 4.48Å; A65-F69 WeakPolarHBondContact O-CB 3.25Å; A65-F69 PolarHBondContact O-N 2.88Å; R66-F69 WeakPolarHBondContact O-CB 3.45Å; R66-F69 PolarHBondContact O-N 3.29Å; R67-F69 VanDerWaalsContact C-N 3.3Å; R67-F69 PolarHBondContact O-N 2.89Å; F69-E71 PolarHBondContact O-N 3.39Å; F69-R72 CarbonylContact O-C 3.42Å; F69-R72 VanDerWaalsContact O-C 3.32Å; F69-R72 PolarHBondContact O-N 3.11Å; F69-H73 HydrophobicContact CD2-CB 3.38Å; F69-H73 AromaticContact CD2-CG 3.91Å; F69-H73 HydrophobicContact CE2-CB 3.36Å; F69-H73 AromaticContact CE2-CD2 3.94Å; F69-H73 AromaticContact CE2-CG 3.52Å; F69-H73 HydrophobicContact CG-CB 4.17Å; F69-H73 HydrophobicContact CZ-CB 4.1Å; F69-H73 AromaticContact CZ-CD2 3.92Å; F69-H73 AromaticContact CZ-CG 3.74Å; F69-H73 AromaticContact CZ-ND1 3.91Å; F69-H73 PolarHBondContact O-ND1 3.13Å; F69-A77 HydrophobicContact CE2-CB 4.09Å; F69-A77 WeakPolarHBondContact CZ-O 3.33Å; F69-F79 HydrophobicContact CB-CD2 3.72Å; F69-F79 HydrophobicContact CB-CE2 4.33Å; F69-F79 HydrophobicContact CD1-CB 3.88Å; F69-F79 HydrophobicContact CD1-CD2 4.46Å; F69-F79 HydrophobicContact CD2-CB 4.22Å; F69-F79 HydrophobicContact CD2-CD2 4.18Å; F69-F79 HydrophobicContact CE1-CB 4.06Å; F69-F79 HydrophobicContact CE2-CB 4.36Å; F69-F79 HydrophobicContact CG-CB 3.99Å; F69-F79 AromaticContact CG-CD2 3.86Å; F69-F79 HydrophobicContact CG-CD2 3.86Å; F69-F79 HydrophobicContact CG-CG 4.34Å; F69-F79 HydrophobicContact CZ-CB 4.3Å
70	E	98	Very high	96.7	Very high	62 Å²	62	57.8 Å²	57.8	29%	0.29	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-32	178.5	-72.9	-177.9	-164.4	0	0	112	R66 R67 G165 K166	R66-E70 WeakPolarHBondContact O-CG 3.45Å; R66-E70 PolarHBondContact O-N 3.14Å; R67-E70 PolarHBondContact O-N 2.87Å; R67-E70 VanDerWaalsContact O-N 3.17Å; E70-G165 PolarHBondContact O-N 3.46Å; E70-K166 HydrophobicContact CG-CG 4.06Å; E70-K166 WeakPolarHBondContact OE1-CE 3.43Å; E70-K166 WeakPolarHBondContact OE2-CE 3.45Å
71	E	98.1	Very high	97.3	Very high	95 Å²	95	51.9 Å²	51.9	44%	0.444	27%	0.268	S	S	.	.	H	α-helix	trans	-73.1	-46.1	174.2	-71	174.6	-171.2	0	0	111.4	R67 E68 F69 S164	R67-E71 IonicContact CZ-OE1 3.32Å; R67-E71 IonicContact NE-OE1 3.82Å; R67-E71 PolarHBondContact NE-OE1 3.04Å; R67-E71 IonicContact NH2-OE1 3.29Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.33Å; E68-E71 PolarHBondContact O-N 2.98Å; F69-E71 PolarHBondContact O-N 3.39Å; E71-S164 WeakPolarHBondContact O-CB 3.45Å
72	R	97.9	Very high	97.7	Very high	138 Å²	138	47.3 Å²	47.3	52%	0.521	24%	0.243	S	C	.	.	S	Bend	trans	-153.3	125.6	-177.4	-65.6	178.8	-67.4	175.9	1	112.5	E68 F69 L162 S163	E68-R72 PolarHBondContact O-N 2.86Å; F69-R72 CarbonylContact O-C 3.42Å; F69-R72 VanDerWaalsContact O-C 3.32Å; F69-R72 PolarHBondContact O-N 3.11Å; R72-L162 HydrophobicContact CB-CD1 4.25Å; R72-L162 HydrophobicContact CG-CD1 4.28Å; R72-S163 CarbonylContact C-O 3.59Å; R72-S163 WeakPolarHBondContact CA-O 3.45Å
73	H	98.6	Very high	97.7	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.037	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-146.2	168.9	173.6	55.8	-89.3	0	0	0	112	F69 Y120 L162 S163 G165	F69-H73 HydrophobicContact CD2-CB 3.38Å; F69-H73 AromaticContact CD2-CG 3.91Å; F69-H73 HydrophobicContact CE2-CB 3.36Å; F69-H73 AromaticContact CE2-CD2 3.94Å; F69-H73 AromaticContact CE2-CG 3.52Å; F69-H73 HydrophobicContact CG-CB 4.17Å; F69-H73 HydrophobicContact CZ-CB 4.1Å; F69-H73 AromaticContact CZ-CD2 3.92Å; F69-H73 AromaticContact CZ-CG 3.74Å; F69-H73 AromaticContact CZ-ND1 3.91Å; F69-H73 PolarHBondContact O-ND1 3.13Å; H73-Y120 WeakPolarHBondContact CB-OH 3.36Å; H73-L162 CarbonylContact O-C 3.59Å; H73-L162 WeakPolarHBondContact O-CA 3.21Å; H73-S163 PolarHBondContact N-O 3.23Å; H73-S163 PolarHBondContact ND1-O 3.4Å; H73-S163 PolarHBondContact O-N 3.48Å; H73-G165 PolarHBondContact CE1-O 3Å
74	I	98.6	Very high	97.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.			trans	-68.1	135	174.1	-59.6	-179.2	0	0	0	109.3	L40 L51 G76 A77 Y120 L148 L152 W155	L40-I74 HydrophobicContact CD1-CG2 4.13Å; L51-I74 HydrophobicContact CD1-CB 4.46Å; L51-I74 HydrophobicContact CD1-CG2 3.64Å; I74-G76 PolarHBondContact O-N 2.94Å; I74-A77 HydrophobicContact CB-CB 4.37Å; I74-A77 WeakPolarHBondContact O-CB 3.4Å; I74-A77 PolarHBondContact O-N 3.12Å; I74-Y120 HydrophobicContact CB-CE1 4.08Å; I74-Y120 HydrophobicContact CD1-CD1 3.69Å; I74-Y120 HydrophobicContact CD1-CD2 4.47Å; I74-Y120 HydrophobicContact CD1-CE1 3.7Å; I74-Y120 HydrophobicContact CD1-CG 4.09Å; I74-Y120 HydrophobicContact CG1-CD1 4.35Å; I74-Y120 HydrophobicContact CG1-CE1 3.84Å; I74-Y120 PolarHBondContact N-OH 3.09Å; I74-L148 HydrophobicContact CD1-CD2 3.37Å; I74-L152 HydrophobicContact CG1-CD1 3.93Å; I74-W155 HydrophobicContact CB-CZ2 4.48Å; I74-W155 HydrophobicContact CD1-CD2 3.8Å; I74-W155 HydrophobicContact CD1-CE3 3.75Å; I74-W155 HydrophobicContact CD1-CG 4.22Å; I74-W155 HydrophobicContact CD1-CZ3 4.2Å; I74-W155 HydrophobicContact CG1-CD2 3.89Å; I74-W155 HydrophobicContact CG1-CE3 4.3Å; I74-W155 HydrophobicContact CG1-CG 4.18Å; I74-W155 HydrophobicContact CG1-CZ2 4.35Å; I74-W155 HydrophobicContact CG2-CH2 3.68Å; I74-W155 HydrophobicContact CG2-CZ2 3.65Å; I74-W155 HydrophobicContact CG2-CZ3 4.17Å
75	P	97.5	Very high	97.8	Very high	32 Å²	32	43.4 Å²	43.4	21%	0.208	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	127.5	-177.5	-28.2	34.3	0	0	0	113.7	A77 P161 S163	P75-A77 VanDerWaalsContact C-N 3.28Å; P75-A77 PolarHBondContact O-N 2.94Å; P75-P161 VanDerWaalsContact CD-O 3.24Å; P75-P161 WeakPolarHBondContact CD-O 3.3Å; P75-P161 HydrophobicContact CG-CB 4.21Å; P75-S163 WeakPolarHBondContact CA-OG 3.26Å; P75-S163 WeakPolarHBondContact CB-OG 3.36Å
76	G	95	Very high	97.7	Very high	53 Å²	53	43.4 Å²	43.4	55%	0.546	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-0.9	-178.6	0	0	0	0	0	115.2	I74	I74-G76 PolarHBondContact O-N 2.94Å
77	A	98.3	Very high	97.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.			trans	-66.4	156.8	173.9	0	0	0	0	0	112.2	L51 F69 I74 P75 Y120 S167	L51-A77 HydrophobicContact CB-CB 3.79Å; L51-A77 VanDerWaalsContact O-CA 3.31Å; L51-A77 WeakPolarHBondContact O-CA 3.49Å; F69-A77 HydrophobicContact CE2-CB 4.09Å; F69-A77 WeakPolarHBondContact CZ-O 3.33Å; I74-A77 HydrophobicContact CB-CB 4.37Å; I74-A77 WeakPolarHBondContact O-CB 3.4Å; I74-A77 PolarHBondContact O-N 3.12Å; P75-A77 VanDerWaalsContact C-N 3.28Å; P75-A77 PolarHBondContact O-N 2.94Å; A77-Y120 HydrophobicContact CB-CE1 3.98Å; A77-S167 WeakPolarHBondContact O-CB 3Å; A77-S167 PolarHBondContact O-OG 3.22Å
78	V	98.3	Very high	97.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	171.9	-59	0	0	0	0	108.7	Q50 L51 L52 D53 L109 S167 P169	Q50-V78 HydrophobicContact CG-CG2 4.49Å; L51-V78 PolarHBondContact O-N 3.09Å; L52-V78 WeakPolarHBondContact CA-O 3.36Å; L52-V78 HydrophobicContact CD2-CG2 3.31Å; D53-V78 PolarHBondContact N-O 3.12Å; V78-L109 HydrophobicContact CB-CD2 4.36Å; V78-L109 HydrophobicContact CG2-CB 4Å; V78-L109 HydrophobicContact CG2-CD2 4.02Å; V78-L109 HydrophobicContact CG2-CG 4.41Å; V78-S167 VanDerWaalsContact CG1-OG 3.31Å; V78-S167 WeakPolarHBondContact CG1-OG 3.23Å; V78-P169 HydrophobicContact CG1-CB 4.24Å; V78-P169 HydrophobicContact CG1-CG 3.78Å
79	F	98.6	Very high	97.6	Very high	18 Å²	18	46.4 Å²	46.4	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.1	-177.8	-171.6	-99	0	0	0	111.1	D53 A65 R66 F69 D81	D53-F79 HydrophobicContact CB-CD2 4.16Å; D53-F79 CarbonylContact O-C 3.36Å; A65-F79 HydrophobicContact CB-CE2 4.01Å; A65-F79 HydrophobicContact CB-CZ 3.91Å; R66-F79 HydrophobicContact CB-CE1 4.15Å; R66-F79 HydrophobicContact CB-CZ 4.2Å; R66-F79 VanDerWaalsContact CZ-CD1 3.48Å; R66-F79 VanDerWaalsContact NH2-CD1 3.33Å; F69-F79 HydrophobicContact CB-CD2 3.72Å; F69-F79 HydrophobicContact CB-CE2 4.33Å; F69-F79 HydrophobicContact CD1-CB 3.88Å; F69-F79 HydrophobicContact CD1-CD2 4.46Å; F69-F79 HydrophobicContact CD2-CB 4.22Å; F69-F79 HydrophobicContact CD2-CD2 4.18Å; F69-F79 HydrophobicContact CE1-CB 4.06Å; F69-F79 HydrophobicContact CE2-CB 4.36Å; F69-F79 HydrophobicContact CG-CB 3.99Å; F69-F79 AromaticContact CG-CD2 3.86Å; F69-F79 HydrophobicContact CG-CD2 3.86Å; F69-F79 HydrophobicContact CG-CG 4.34Å; F69-F79 HydrophobicContact CZ-CB 4.3Å; F79-D81 HydrophobicContact CD1-CB 3.97Å; F79-D81 HydrophobicContact CE1-CB 3.67Å
80	F	98.8	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.			trans	-96.6	111	170.1	-170.8	-71.4	0	0	0	109.2	L52 D53 A54 I82 C85 F102 Y105 L109 V133 M136 F137	L52-F80 HydrophobicContact CB-CB 4.27Å; L52-F80 HydrophobicContact CD1-CB 4.5Å; L52-F80 HydrophobicContact CD1-CD2 3.94Å; D53-F80 PolarHBondContact O-N 2.84Å; A54-F80 HydrophobicContact CB-CB 4.41Å; F80-I82 HydrophobicContact CD1-CG2 3.98Å; F80-I82 HydrophobicContact CE1-CG2 4.03Å; F80-C85 HydrophobicContact CE1-CB 3.77Å; F80-C85 HydrophobicContact CZ-CB 3.7Å; F80-F102 HydrophobicContact CE2-CE2 4.36Å; F80-F102 HydrophobicContact CZ-CE2 4.15Å; F80-Y105 HydrophobicContact CD1-CE1 4.25Å; F80-Y105 HydrophobicContact CD2-CD1 4.15Å; F80-Y105 AromaticContact CD2-CE1 3.68Å; F80-Y105 HydrophobicContact CD2-CE1 3.68Å; F80-Y105 HydrophobicContact CE1-CE1 4.23Å; F80-Y105 AromaticContact CE2-CD1 3.74Å; F80-Y105 HydrophobicContact CE2-CD1 3.74Å; F80-Y105 AromaticContact CE2-CE1 3.68Å; F80-Y105 HydrophobicContact CE2-CE1 3.68Å; F80-Y105 AromaticContact CG-CE1 3.99Å; F80-Y105 HydrophobicContact CG-CE1 3.99Å; F80-Y105 HydrophobicContact CZ-CD1 4.04Å; F80-Y105 AromaticContact CZ-CE1 3.96Å; F80-Y105 HydrophobicContact CZ-CE1 3.96Å; F80-L109 HydrophobicContact CB-CD1 4.23Å; F80-L109 HydrophobicContact CD2-CD1 3.61Å; F80-L109 HydrophobicContact CE2-CD1 4.39Å; F80-L109 HydrophobicContact CG-CD1 4.26Å; F80-V133 HydrophobicContact CD1-CB 4.44Å; F80-V133 HydrophobicContact CD1-CG1 3.9Å; F80-V133 HydrophobicContact CD1-CG2 3.6Å; F80-V133 HydrophobicContact CD2-CG1 3.88Å; F80-V133 HydrophobicContact CE1-CB 4.41Å; F80-V133 HydrophobicContact CE1-CG1 3.85Å; F80-V133 HydrophobicContact CE1-CG2 3.64Å; F80-V133 HydrophobicContact CE2-CG1 3.81Å; F80-V133 HydrophobicContact CG-CG1 3.93Å; F80-V133 HydrophobicContact CG-CG2 4.33Å; F80-V133 HydrophobicContact CZ-CG1 3.8Å; F80-V133 HydrophobicContact CZ-CG2 4.37Å; F80-M136 HydrophobicContact CE1-CE 4.37Å; F80-M136 HydrophobicContact CZ-CE 4.12Å; F80-F137 HydrophobicContact CD2-CE2 4.48Å; F80-F137 HydrophobicContact CE2-CE2 4.15Å; F80-F137 HydrophobicContact CE2-CZ 4.36Å
81	D	98.1	Very high	97.4	Very high	22 Å²	22	47.9 Å²	47.9	12%	0.118	25%	0.252	C	S	.	.			trans	-94.6	104.1	-178.7	-167.6	-36.4	0	0	0	109.9	R66 F79 D83 Q84 C85 Y105	R66-D81 IonicContact CZ-OD2 3.74Å; R66-D81 IonicContact NE-OD2 3.8Å; R66-D81 IonicContact NH2-OD2 3.86Å; R66-D81 PolarHBondContact NH2-OD2 3.2Å; F79-D81 HydrophobicContact CD1-CB 3.97Å; F79-D81 HydrophobicContact CE1-CB 3.67Å; D81-D83 PolarHBondContact O-N 3.17Å; D81-D83 WeakPolarHBondContact OD1-CB 3.38Å; D81-D83 PolarHBondContact OD1-N 2.87Å; D81-D83 VanDerWaalsContact OD1-N 3.12Å; D81-Q84 HydrophobicContact CB-CB 4.04Å; D81-Q84 HydrophobicContact CB-CG 3.9Å; D81-Q84 PolarHBondContact O-N 3.08Å; D81-Q84 PolarHBondContact OD1-N 3.35Å; D81-C85 PolarHBondContact O-N 3.31Å; D81-Y105 WeakPolarHBondContact CA-OH 3.27Å; D81-Y105 VanDerWaalsContact CB-OH 3.25Å; D81-Y105 WeakPolarHBondContact CB-OH 3.34Å; D81-Y105 PolarHBondContact N-OH 3.2Å
82	I	97.4	Very high	97.3	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.9	-178	68.1	171.1	0	0	0	112.4	W56 F80 C85 S86 V133	W56-I82 HydrophobicContact CB-CD1 3.54Å; W56-I82 HydrophobicContact CB-CG1 3.89Å; W56-I82 HydrophobicContact CD2-CD1 3.85Å; W56-I82 HydrophobicContact CE3-CD1 4.44Å; W56-I82 HydrophobicContact CG-CD1 3.41Å; W56-I82 VanDerWaalsContact CG-CD1 3.41Å; W56-I82 HydrophobicContact CG-CG1 3.75Å; F80-I82 HydrophobicContact CD1-CG2 3.98Å; F80-I82 HydrophobicContact CE1-CG2 4.03Å; I82-C85 CarbonylContact O-C 3.5Å; I82-C85 PolarHBondContact O-N 3.47Å; I82-S86 WeakPolarHBondContact O-CB 3.45Å; I82-V133 HydrophobicContact CG2-CG2 3.61Å
83	D	95.1	Very high	97	Very high	65 Å²	65	41.5 Å²	41.5	35%	0.348	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-35.8	178.1	-66.9	-34.4	0	0	0	110.6	W56 D81 S86 H94	W56-D83 PolarHBondContact NE1-OD1 2.8Å; W56-D83 PolarHBondContact NE1-OD2 3.19Å; D81-D83 PolarHBondContact O-N 3.17Å; D81-D83 WeakPolarHBondContact OD1-CB 3.38Å; D81-D83 PolarHBondContact OD1-N 2.87Å; D81-D83 VanDerWaalsContact OD1-N 3.12Å; D83-S86 PolarHBondContact O-OG 3.32Å; D83-H94 IonicContact OD1-CE1 3.64Å; D83-H94 PolarHBondContact OD1-CE1 3.28Å; D83-H94 IonicContact OD1-ND1 3.53Å; D83-H94 PolarHBondContact OD1-ND1 3.02Å
84	Q	96.9	Very high	96.8	Very high	87 Å²	87	42 Å²	42	41%	0.407	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-33.1	172.1	-61.9	-60.8	-37.7	0	0	112.4	D81 S86 H101 Y105	D81-Q84 HydrophobicContact CB-CB 4.04Å; D81-Q84 HydrophobicContact CB-CG 3.9Å; D81-Q84 PolarHBondContact O-N 3.08Å; D81-Q84 PolarHBondContact OD1-N 3.35Å; Q84-S86 VanDerWaalsContact C-N 3.35Å; Q84-S86 PolarHBondContact O-N 3.41Å; Q84-H101 PolarHBondContact O-CE1 3.26Å; Q84-H101 PolarHBondContact O-NE2 2.99Å; Q84-Y105 HydrophobicContact CB-CE2 3.72Å
85	C	98	Very high	96.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	48.7	-179.2	-158.3	0	0	0	0	112.2	F80 D81 I82 P97 Y105 M136	F80-C85 HydrophobicContact CE1-CB 3.77Å; F80-C85 HydrophobicContact CZ-CB 3.7Å; D81-C85 PolarHBondContact O-N 3.31Å; I82-C85 CarbonylContact O-C 3.5Å; I82-C85 PolarHBondContact O-N 3.47Å; C85-P97 WeakPolarHBondContact O-CD 3.15Å; C85-Y105 HydrophobicContact CB-CD1 3.7Å; C85-Y105 HydrophobicContact CB-CD2 4.25Å; C85-Y105 HydrophobicContact CB-CE1 3.85Å; C85-Y105 HydrophobicContact CB-CE2 4.41Å; C85-Y105 HydrophobicContact CB-CG 3.92Å; C85-Y105 VanDerWaalsContact SG-CD1 3.58Å; C85-M136 HydrophobicContact CB-CE 4.4Å; C85-M136 VanDerWaalsContact O-CE 3.32Å; C85-M136 WeakPolarHBondContact O-CE 3.44Å
86	S	97.9	Very high	96.9	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.084	23%	0.232	C	C	.	.	S	Bend	trans	-133.9	163.4	178.2	65.8	0	0	0	0	111.4	I82 D83 Q84 R88 M95	I82-S86 WeakPolarHBondContact O-CB 3.45Å; D83-S86 PolarHBondContact O-OG 3.32Å; Q84-S86 VanDerWaalsContact C-N 3.35Å; Q84-S86 PolarHBondContact O-N 3.41Å; S86-R88 PolarHBondContact O-N 3.49Å; S86-M95 CarbonylContact C-O 3.54Å; S86-M95 VanDerWaalsContact CA-O 3.28Å; S86-M95 WeakPolarHBondContact CA-O 3.34Å; S86-M95 WeakPolarHBondContact CB-O 3.4Å
87	D	97.9	Very high	97	Very high	57 Å²	57	40.7 Å²	40.7	31%	0.305	21%	0.208	S	C	.	.			trans	-76	99.6	166.7	176.1	18.9	0	0	0	110.6	T89 S90 M95 L96	D87-T89 PolarHBondContact O-N 3.4Å; D87-T89 WeakPolarHBondContact OD1-CB 3.42Å; D87-T89 PolarHBondContact OD1-N 3.5Å; D87-T89 PolarHBondContact OD1-OG1 3.02Å; D87-T89 PolarHBondContact OD2-OG1 3.23Å; D87-S90 PolarHBondContact O-N 3.02Å; D87-M95 HydrophobicContact CB-CB 4.12Å; D87-M95 PolarHBondContact N-O 2.97Å; D87-L96 WeakPolarHBondContact CB-O 3.42Å
88	R	94.9	Very high	97.1	Very high	181 Å²	181	44.2 Å²	44.2	68%	0.683	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2	-179.6	-57.7	-179.4	68	-174.6	1.1	113.7	S86	S86-R88 PolarHBondContact O-N 3.49Å
89	T	97.3	Very high	97.1	Very high	127 Å²	127	45.6 Å²	45.6	78%	0.779	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-19.8	175.1	72.7	0	0	0	0	112.3	D87	D87-T89 PolarHBondContact O-N 3.4Å; D87-T89 WeakPolarHBondContact OD1-CB 3.42Å; D87-T89 PolarHBondContact OD1-N 3.5Å; D87-T89 PolarHBondContact OD1-OG1 3.02Å; D87-T89 PolarHBondContact OD2-OG1 3.23Å
90	S	97.3	Very high	97.1	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	27%	0.268	C	S	.	.	S	Bend	trans	-69	143.1	175.3	-179.2	0	0	0	0	111.8	D87 Y92 M95	D87-S90 PolarHBondContact O-N 3.02Å; S90-Y92 PolarHBondContact O-N 2.8Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.4Å; S90-Y92 PolarHBondContact OG-N 2.88Å; S90-Y92 VanDerWaalsContact OG-N 3.09Å; S90-M95 WeakPolarHBondContact OG-CG 3.28Å
91	P	95.7	Very high	97.1	Very high	75 Å²	75	53.3 Å²	53.3	49%	0.487	28%	0.281	S	S	.	.	S	Bend	trans	-74	-9.4	169.5	32.4	-35.9	0	0	0	113.3	R217	P91-R217 PolarHBondContact O-NH1 3.01Å; P91-R217 PolarHBondContact O-NH2 3.28Å
92	Y	95.8	Very high	97.1	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.184	28%	0.275	C	S	.	.	S	Bend	trans	-97.2	158.2	-177.8	-42.8	-52.8	0	0	0	111.6	S90 M95 E298 M301 R302	S90-Y92 PolarHBondContact O-N 2.8Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.4Å; S90-Y92 PolarHBondContact OG-N 2.88Å; S90-Y92 VanDerWaalsContact OG-N 3.09Å; Y92-M95 HydrophobicContact CD2-SD 4.34Å; Y92-E298 HydrophobicContact CD1-CB 3.85Å; Y92-E298 HydrophobicContact CD1-CG 4.16Å; Y92-E298 HydrophobicContact CD2-CB 4.1Å; Y92-E298 HydrophobicContact CD2-CG 4Å; Y92-E298 HydrophobicContact CE1-CB 4.09Å; Y92-E298 HydrophobicContact CE1-CG 3.93Å; Y92-E298 HydrophobicContact CE2-CB 4.33Å; Y92-E298 HydrophobicContact CE2-CG 3.75Å; Y92-E298 WeakPolarHBondContact CE2-OE1 3.26Å; Y92-E298 HydrophobicContact CG-CB 3.88Å; Y92-E298 HydrophobicContact CG-CG 4.22Å; Y92-M301 HydrophobicContact CD1-CE 4.5Å; Y92-M301 HydrophobicContact CD1-SD 3.92Å; Y92-M301 HydrophobicContact CE1-CB 4.39Å; Y92-M301 HydrophobicContact CE1-CE 4.23Å; Y92-M301 HydrophobicContact CE1-SD 4.03Å; Y92-R302 VanDerWaalsContact OH-CD 3.32Å; Y92-R302 WeakPolarHBondContact OH-CD 3.46Å
93	D	90.3	Very high	97.2	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	142.8	-175	-62.9	-43.3	0	0	0	113	M95 R217	D93-M95 PolarHBondContact O-N 2.79Å; D93-R217 IonicContact OD1-CZ 3.3Å; D93-R217 IonicContact OD1-NH1 2.7Å; D93-R217 PolarHBondContact OD1-NH1 3.43Å; D93-R217 WeakPolarHBondContact OD2-CD 3.35Å; D93-R217 IonicContact OD2-CZ 2.99Å; D93-R217 IonicContact OD2-NE 3.34Å; D93-R217 IonicContact OD2-NH1 2.86Å; D93-R217 PolarHBondContact OD2-NH1 3.19Å
94	H	95.6	Very high	97.3	Very high	20 Å²	20	53.1 Å²	53.1	9%	0.093	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	25.6	170.6	-50.7	-59.7	0	0	0	116.6	W56 D83 R132 S270 V272	W56-H94 AromaticContact CE2-CE1 3.46Å; W56-H94 VanDerWaalsContact CE2-CE1 3.46Å; W56-H94 AromaticContact CE2-NE2 3.72Å; W56-H94 AromaticContact CH2-CE1 3.99Å; W56-H94 AromaticContact CH2-NE2 3.39Å; W56-H94 WeakPolarHBondContact CH2-NE2 3.22Å; W56-H94 AromaticContact CZ2-CE1 3.36Å; W56-H94 WeakPolarHBondContact CZ2-CE1 3.38Å; W56-H94 AromaticContact CZ2-NE2 3.24Å; W56-H94 WeakPolarHBondContact CZ2-NE2 3.36Å; W56-H94 AromaticContact NE1-CE1 3.68Å; D83-H94 IonicContact OD1-CE1 3.64Å; D83-H94 PolarHBondContact OD1-CE1 3.28Å; D83-H94 IonicContact OD1-ND1 3.53Å; D83-H94 PolarHBondContact OD1-ND1 3.02Å; H94-R132 PolarHBondContact O-NH2 2.93Å; H94-S270 PolarHBondContact CD2-OG 2.79Å; H94-V272 HydrophobicContact CB-CG2 4.14Å
95	M	98.4	Very high	97.4	Very high	32 Å²	32	50 Å²	50	16%	0.158	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.8	143.8	176.3	-61.8	-56.1	-66.9	0	0	111.3	S86 D87 S90 Y92 D93 D293 G294	S86-M95 CarbonylContact C-O 3.54Å; S86-M95 VanDerWaalsContact CA-O 3.28Å; S86-M95 WeakPolarHBondContact CA-O 3.34Å; S86-M95 WeakPolarHBondContact CB-O 3.4Å; D87-M95 HydrophobicContact CB-CB 4.12Å; D87-M95 PolarHBondContact N-O 2.97Å; S90-M95 WeakPolarHBondContact OG-CG 3.28Å; Y92-M95 HydrophobicContact CD2-SD 4.34Å; D93-M95 PolarHBondContact O-N 2.79Å; M95-D293 HydrophobicContact CE-CB 4.14Å; M95-G294 VanDerWaalsContact SD-CA 3.54Å
96	L	98.7	Very high	97.4	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.089	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-53.5	135.8	175.7	-85.6	177.2	0	0	0	111.5	D87 W135 M136 F140 L178 I183 D293	D87-L96 WeakPolarHBondContact CB-O 3.42Å; L96-W135 HydrophobicContact CD1-CH2 3.33Å; L96-W135 HydrophobicContact CD1-CZ2 4.21Å; L96-W135 HydrophobicContact CD1-CZ3 3.85Å; L96-W135 HydrophobicContact CD2-CH2 3.98Å; L96-W135 HydrophobicContact CD2-CZ3 3.57Å; L96-W135 HydrophobicContact CG-CH2 3.66Å; L96-W135 HydrophobicContact CG-CZ3 3.72Å; L96-M136 HydrophobicContact CD2-CB 4.44Å; L96-M136 HydrophobicContact CD2-CE 4.4Å; L96-M136 HydrophobicContact CD2-CG 3.77Å; L96-F140 HydrophobicContact CD2-CE2 3.69Å; L96-F140 HydrophobicContact CD2-CZ 4Å; L96-L178 HydrophobicContact CD1-CD1 4.11Å; L96-I183 HydrophobicContact CD1-CD1 3.34Å; L96-I183 HydrophobicContact CD1-CG1 3.71Å; L96-D293 PolarHBondContact N-OD2 3.44Å
97	P	98.6	Very high	97.4	Very high	7 Å²	7	49.6 Å²	49.6	5%	0.045	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.1	173.7	171.7	34.4	-36.7	0	0	0	110.6	C85 H101 F102 F140	C85-P97 WeakPolarHBondContact O-CD 3.15Å; P97-H101 HydrophobicContact CB-CB 4.05Å; P97-H101 WeakPolarHBondContact CB-ND1 3.49Å; P97-F102 HydrophobicContact CG-CB 4.06Å; P97-F102 HydrophobicContact CG-CD2 4.45Å; P97-F140 HydrophobicContact CG-CE2 4.35Å; P97-F140 HydrophobicContact CG-CZ 4.27Å; P97-F140 WeakPolarHBondContact O-CZ 3.45Å
98	S	98.6	Very high	97.4	Very high	75 Å²	75	53.9 Å²	53.9	52%	0.524	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-63.8	155.4	166.4	72.9	0	0	0	0	111	Q100 H101 F102	S98-Q100 PolarHBondContact O-N 3Å; S98-H101 PolarHBondContact O-N 3.4Å; S98-H101 VanDerWaalsContact O-N 3.12Å; S98-H101 WeakPolarHBondContact OG-CB 3.47Å; S98-H101 PolarHBondContact OG-N 3.33Å; S98-F102 PolarHBondContact O-N 3.32Å
99	A	98.6	Very high	97.6	Very high	30 Å²	30	46.2 Å²	46.2	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-39.8	176.7	0	0	0	0	0	112.1	F102 A103 F140 A176	A99-F102 PolarHBondContact O-N 3.49Å; A99-A103 WeakPolarHBondContact O-CB 3.26Å; A99-A103 PolarHBondContact O-N 3.29Å; A99-F140 HydrophobicContact CB-CD1 4.09Å; A99-F140 HydrophobicContact CB-CE1 4Å; A99-A176 HydrophobicContact CB-CB 4.11Å; A99-A176 VanDerWaalsContact O-CB 3.26Å; A99-A176 WeakPolarHBondContact O-CB 3.33Å
100	Q	98.6	Very high	97.6	Very high	124 Å²	124	40.8 Å²	40.8	58%	0.579	22%	0.217	S	C	*	.	H	α-helix	trans	-62.1	-46.2	176.2	-173.8	60.4	50.4	0	0	111.6	S98 F102 A103 D104	S98-Q100 PolarHBondContact O-N 3Å; Q100-F102 PolarHBondContact O-N 3.08Å; Q100-A103 PolarHBondContact O-N 3.36Å; Q100-D104 VanDerWaalsContact NE2-CG 3.34Å; Q100-D104 PolarHBondContact NE2-OD1 2.89Å; Q100-D104 PolarHBondContact NE2-OD2 2.98Å; Q100-D104 VanDerWaalsContact O-CG 3.26Å; Q100-D104 PolarHBondContact O-N 3.26Å
101	H	98.7	Very high	97.7	Very high	57 Å²	57	39.6 Å²	39.6	26%	0.264	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-44.4	178.2	178.6	-166.9	0	0	0	111.3	Q84 P97 S98 A103 D104 Y105	Q84-H101 PolarHBondContact O-CE1 3.26Å; Q84-H101 PolarHBondContact O-NE2 2.99Å; P97-H101 HydrophobicContact CB-CB 4.05Å; P97-H101 WeakPolarHBondContact CB-ND1 3.49Å; S98-H101 PolarHBondContact O-N 3.4Å; S98-H101 VanDerWaalsContact O-N 3.12Å; S98-H101 WeakPolarHBondContact OG-CB 3.47Å; S98-H101 PolarHBondContact OG-N 3.33Å; H101-A103 VanDerWaalsContact C-N 3.33Å; H101-A103 PolarHBondContact O-N 3.43Å; H101-D104 PolarHBondContact O-N 3.46Å; H101-Y105 WeakPolarHBondContact O-CB 3.25Å; H101-Y105 PolarHBondContact O-N 2.95Å
102	F	98.8	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-43.9	174.9	-175	-98.3	0	0	0	112.1	F80 P97 S98 A99 Q100 Y105 A106 M136 F137 F140 F174 A176	F80-F102 HydrophobicContact CE2-CE2 4.36Å; F80-F102 HydrophobicContact CZ-CE2 4.15Å; P97-F102 HydrophobicContact CG-CB 4.06Å; P97-F102 HydrophobicContact CG-CD2 4.45Å; S98-F102 PolarHBondContact O-N 3.32Å; A99-F102 PolarHBondContact O-N 3.49Å; Q100-F102 PolarHBondContact O-N 3.08Å; F102-Y105 PolarHBondContact O-N 3.35Å; F102-A106 HydrophobicContact CE1-CB 4.36Å; F102-A106 WeakPolarHBondContact O-CB 3.1Å; F102-A106 PolarHBondContact O-N 2.82Å; F102-M136 HydrophobicContact CD2-CE 4.05Å; F102-M136 HydrophobicContact CE2-CB 3.95Å; F102-M136 HydrophobicContact CE2-CE 4.01Å; F102-M136 HydrophobicContact CZ-CB 4.43Å; F102-F137 AromaticContact CE1-CD1 3.93Å; F102-F137 HydrophobicContact CE1-CD1 3.93Å; F102-F137 HydrophobicContact CE1-CE1 4.05Å; F102-F137 HydrophobicContact CE1-CG 4.48Å; F102-F137 HydrophobicContact CZ-CB 4.47Å; F102-F137 AromaticContact CZ-CD1 3.65Å; F102-F137 HydrophobicContact CZ-CD1 3.65Å; F102-F137 HydrophobicContact CZ-CD2 4.12Å; F102-F137 AromaticContact CZ-CE1 3.74Å; F102-F137 HydrophobicContact CZ-CE1 3.74Å; F102-F137 HydrophobicContact CZ-CE2 4.2Å; F102-F137 AromaticContact CZ-CG 3.84Å; F102-F137 HydrophobicContact CZ-CG 3.84Å; F102-F137 HydrophobicContact CZ-CZ 4.02Å; F102-F140 HydrophobicContact CB-CD1 4.43Å; F102-F140 HydrophobicContact CB-CD2 3.8Å; F102-F140 HydrophobicContact CB-CE1 4.29Å; F102-F140 HydrophobicContact CB-CE2 3.61Å; F102-F140 HydrophobicContact CB-CG 4.21Å; F102-F140 HydrophobicContact CB-CZ 3.89Å; F102-F140 HydrophobicContact CD1-CB 3.67Å; F102-F140 HydrophobicContact CD1-CD1 4.43Å; F102-F140 AromaticContact CD1-CD2 3.3Å; F102-F140 HydrophobicContact CD1-CD2 3.3Å; F102-F140 HydrophobicContact CD1-CE2 4.02Å; F102-F140 AromaticContact CD1-CG 3.55Å; F102-F140 HydrophobicContact CD1-CG 3.55Å; F102-F140 AromaticContact CD2-CD2 3.5Å; F102-F140 HydrophobicContact CD2-CD2 3.5Å; F102-F140 AromaticContact CD2-CE2 3.53Å; F102-F140 HydrophobicContact CD2-CE2 3.53Å; F102-F140 HydrophobicContact CE1-CB 3.76Å; F102-F140 AromaticContact CE1-CD2 3.66Å; F102-F140 HydrophobicContact CE1-CD2 3.66Å; F102-F140 HydrophobicContact CE1-CG 4.01Å; F102-F140 AromaticContact CE2-CD2 3.85Å; F102-F140 HydrophobicContact CE2-CD2 3.85Å; F102-F140 HydrophobicContact CE2-CE2 4.19Å; F102-F140 HydrophobicContact CG-CB 4.44Å; F102-F140 AromaticContact CG-CD2 3.22Å; F102-F140 HydrophobicContact CG-CD2 3.22Å; F102-F140 AromaticContact CG-CE2 3.43Å; F102-F140 HydrophobicContact CG-CE2 3.43Å; F102-F140 VanDerWaalsContact CG-CE2 3.43Å; F102-F140 AromaticContact CG-CG 3.84Å; F102-F140 HydrophobicContact CG-CG 3.84Å; F102-F140 HydrophobicContact CG-CZ 4.21Å; F102-F140 AromaticContact CZ-CD2 3.92Å; F102-F140 HydrophobicContact CZ-CD2 3.92Å; F102-F174 AromaticContact CD1-CE1 3.9Å; F102-F174 HydrophobicContact CD1-CE1 3.9Å; F102-F174 AromaticContact CE1-CE1 3.7Å; F102-F174 HydrophobicContact CE1-CE1 3.7Å; F102-F174 AromaticContact CE1-CZ 3.94Å; F102-F174 HydrophobicContact CE1-CZ 3.94Å; F102-A176 HydrophobicContact CD1-CB 4.04Å
103	A	98.7	Very high	97.7	Very high	8 Å²	8	39.3 Å²	39.3	7%	0.066	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-47.2	179	0	0	0	0	0	112.5	A99 Q100 H101 Y105 A106 G107 F174 A176	A99-A103 WeakPolarHBondContact O-CB 3.26Å; A99-A103 PolarHBondContact O-N 3.29Å; Q100-A103 PolarHBondContact O-N 3.36Å; H101-A103 VanDerWaalsContact C-N 3.33Å; H101-A103 PolarHBondContact O-N 3.43Å; A103-Y105 VanDerWaalsContact C-N 3.29Å; A103-Y105 PolarHBondContact O-N 3.48Å; A103-A106 PolarHBondContact O-N 2.88Å; A103-G107 PolarHBondContact O-N 3.41Å; A103-F174 HydrophobicContact CB-CD1 4.04Å; A103-A176 HydrophobicContact CB-CB 3.83Å
104	D	98.5	Very high	98	Very high	81 Å²	81	39.4 Å²	39.4	43%	0.433	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-35.7	177.7	-65	-25.7	0	0	0	111.6	Q100 H101 R108	Q100-D104 VanDerWaalsContact NE2-CG 3.34Å; Q100-D104 PolarHBondContact NE2-OD1 2.89Å; Q100-D104 PolarHBondContact NE2-OD2 2.98Å; Q100-D104 VanDerWaalsContact O-CG 3.26Å; Q100-D104 PolarHBondContact O-N 3.26Å; H101-D104 PolarHBondContact O-N 3.46Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.39Å; D104-R108 PolarHBondContact O-N 3.43Å; D104-R108 PolarHBondContact O-NE 3.24Å
105	Y	98.6	Very high	98.1	Very high	21 Å²	21	38.7 Å²	38.7	8%	0.082	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-52.7	176.1	-167.3	-92	0	0	0	111.9	F80 D81 Q84 C85 H101 F102 A103 G107 R108 L109	F80-Y105 HydrophobicContact CD1-CE1 4.25Å; F80-Y105 HydrophobicContact CD2-CD1 4.15Å; F80-Y105 AromaticContact CD2-CE1 3.68Å; F80-Y105 HydrophobicContact CD2-CE1 3.68Å; F80-Y105 HydrophobicContact CE1-CE1 4.23Å; F80-Y105 AromaticContact CE2-CD1 3.74Å; F80-Y105 HydrophobicContact CE2-CD1 3.74Å; F80-Y105 AromaticContact CE2-CE1 3.68Å; F80-Y105 HydrophobicContact CE2-CE1 3.68Å; F80-Y105 AromaticContact CG-CE1 3.99Å; F80-Y105 HydrophobicContact CG-CE1 3.99Å; F80-Y105 HydrophobicContact CZ-CD1 4.04Å; F80-Y105 AromaticContact CZ-CE1 3.96Å; F80-Y105 HydrophobicContact CZ-CE1 3.96Å; D81-Y105 WeakPolarHBondContact CA-OH 3.27Å; D81-Y105 VanDerWaalsContact CB-OH 3.25Å; D81-Y105 WeakPolarHBondContact CB-OH 3.34Å; D81-Y105 PolarHBondContact N-OH 3.2Å; Q84-Y105 HydrophobicContact CB-CE2 3.72Å; C85-Y105 HydrophobicContact CB-CD1 3.7Å; C85-Y105 HydrophobicContact CB-CD2 4.25Å; C85-Y105 HydrophobicContact CB-CE1 3.85Å; C85-Y105 HydrophobicContact CB-CE2 4.41Å; C85-Y105 HydrophobicContact CB-CG 3.92Å; C85-Y105 VanDerWaalsContact SG-CD1 3.58Å; H101-Y105 WeakPolarHBondContact O-CB 3.25Å; H101-Y105 PolarHBondContact O-N 2.95Å; F102-Y105 PolarHBondContact O-N 3.35Å; A103-Y105 VanDerWaalsContact C-N 3.29Å; A103-Y105 PolarHBondContact O-N 3.48Å; Y105-G107 PolarHBondContact O-N 3.31Å; Y105-R108 PolarHBondContact O-N 2.97Å; Y105-L109 HydrophobicContact CD1-CD1 4Å; Y105-L109 HydrophobicContact CE1-CD1 3.54Å; Y105-L109 HydrophobicContact CE1-CG 4.35Å; Y105-L109 PolarHBondContact O-N 2.95Å
106	A	98.6	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-41	179.6	0	0	0	0	0	112.4	F102 A103 R108 L109 V111 F137 F174	F102-A106 HydrophobicContact CE1-CB 4.36Å; F102-A106 WeakPolarHBondContact O-CB 3.1Å; F102-A106 PolarHBondContact O-N 2.82Å; A103-A106 PolarHBondContact O-N 2.88Å; A106-R108 PolarHBondContact O-N 2.81Å; A106-L109 CarbonylContact O-C 3.53Å; A106-L109 WeakPolarHBondContact O-CA 3.14Å; A106-L109 WeakPolarHBondContact O-CB 3.46Å; A106-L109 PolarHBondContact O-N 3.25Å; A106-V111 HydrophobicContact CB-CB 4.3Å; A106-V111 WeakPolarHBondContact O-CB 3.49Å; A106-V111 PolarHBondContact O-N 2.95Å; A106-V111 VanDerWaalsContact O-N 3.15Å; A106-F137 HydrophobicContact CB-CE1 4.05Å; A106-F137 HydrophobicContact CB-CZ 4.26Å; A106-F174 HydrophobicContact CB-CB 4.5Å; A106-F174 HydrophobicContact CB-CD1 4.11Å; A106-F174 HydrophobicContact CB-CD2 4.22Å; A106-F174 HydrophobicContact CB-CE1 4.34Å; A106-F174 HydrophobicContact CB-CE2 4.46Å; A106-F174 HydrophobicContact CB-CG 4.01Å; A106-F174 HydrophobicContact CB-CZ 4.49Å
107	G	98.3	Very high	98.1	Very high	5 Å²	5	36.6 Å²	36.6	5%	0.052	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-39.7	177	0	0	0	0	0	113	A103 Y105 L109 G110 P171 A172	A103-G107 PolarHBondContact O-N 3.41Å; Y105-G107 PolarHBondContact O-N 3.31Å; G107-L109 PolarHBondContact O-N 3.44Å; G107-G110 PolarHBondContact O-N 2.88Å; G107-P171 CarbonylContact O-C 3.52Å; G107-P171 WeakPolarHBondContact O-CA 3.43Å; G107-A172 CarbonylContact C-O 3.56Å; G107-A172 WeakPolarHBondContact CA-O 3.34Å; G107-A172 PolarHBondContact O-N 2.82Å
108	R	98	Very high	98.1	Very high	147 Å²	147	36.2 Å²	36.2	56%	0.555	21%	0.206	S	C	*	.	H	α-helix	trans	-63.6	-24.4	173.1	-77.9	-179.3	-67.2	-173.2	2	113.5	D104 Y105 A106 G110	D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.39Å; D104-R108 PolarHBondContact O-N 3.43Å; D104-R108 PolarHBondContact O-NE 3.24Å; Y105-R108 PolarHBondContact O-N 2.97Å; A106-R108 PolarHBondContact O-N 2.81Å; R108-G110 PolarHBondContact O-N 3.3Å
109	L	98	Very high	98.2	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.105	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	10.6	174.5	-61.9	-178	0	0	0	112.9	Q50 L52 V78 F80 Y105 A106 G107 V111 P169	Q50-L109 PolarHBondContact OE1-O 3.46Å; L52-L109 HydrophobicContact CD2-CB 4.45Å; L52-L109 HydrophobicContact CD2-CD1 4.23Å; V78-L109 HydrophobicContact CB-CD2 4.36Å; V78-L109 HydrophobicContact CG2-CB 4Å; V78-L109 HydrophobicContact CG2-CD2 4.02Å; V78-L109 HydrophobicContact CG2-CG 4.41Å; F80-L109 HydrophobicContact CB-CD1 4.23Å; F80-L109 HydrophobicContact CD2-CD1 3.61Å; F80-L109 HydrophobicContact CE2-CD1 4.39Å; F80-L109 HydrophobicContact CG-CD1 4.26Å; Y105-L109 HydrophobicContact CD1-CD1 4Å; Y105-L109 HydrophobicContact CE1-CD1 3.54Å; Y105-L109 HydrophobicContact CE1-CG 4.35Å; Y105-L109 PolarHBondContact O-N 2.95Å; A106-L109 CarbonylContact O-C 3.53Å; A106-L109 WeakPolarHBondContact O-CA 3.14Å; A106-L109 WeakPolarHBondContact O-CB 3.46Å; A106-L109 PolarHBondContact O-N 3.25Å; G107-L109 PolarHBondContact O-N 3.44Å; L109-V111 VanDerWaalsContact C-N 3.28Å; L109-V111 HydrophobicContact CB-CG2 4.48Å; L109-V111 PolarHBondContact O-N 3.28Å; L109-P169 WeakPolarHBondContact O-CG 3.46Å
110	G	97.5	Very high	98.2	Very high	14 Å²	14	31.2 Å²	31.2	14%	0.144	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	12.8	178.6	0	0	0	0	0	114.1	G107 R108 G112 A170	G107-G110 PolarHBondContact O-N 2.88Å; R108-G110 PolarHBondContact O-N 3.3Å; G110-G112 PolarHBondContact O-N 3.04Å; G110-A170 VanDerWaalsContact CA-O 3.31Å; G110-A170 WeakPolarHBondContact CA-O 3.35Å
111	V	98.4	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.			trans	-81.9	118.5	176.2	-171.6	0	0	0	0	109.3	Q50 A106 L109 T115 V117 F137 F174	Q50-V111 HydrophobicContact CB-CG2 4.35Å; Q50-V111 HydrophobicContact CG-CG2 3.93Å; A106-V111 HydrophobicContact CB-CB 4.3Å; A106-V111 WeakPolarHBondContact O-CB 3.49Å; A106-V111 PolarHBondContact O-N 2.95Å; A106-V111 VanDerWaalsContact O-N 3.15Å; L109-V111 VanDerWaalsContact C-N 3.28Å; L109-V111 HydrophobicContact CB-CG2 4.48Å; L109-V111 PolarHBondContact O-N 3.28Å; V111-T115 HydrophobicContact CG1-CG2 4.18Å; V111-V117 HydrophobicContact CG1-CG2 3.53Å; V111-V117 HydrophobicContact CG2-CG2 4.13Å; V111-F137 HydrophobicContact CG1-CE1 3.96Å; V111-F137 HydrophobicContact CG2-CE1 4.44Å; V111-F137 HydrophobicContact CG2-CZ 4.25Å; V111-F174 HydrophobicContact CB-CD2 4.16Å; V111-F174 HydrophobicContact CB-CE2 4.46Å; V111-F174 HydrophobicContact CG1-CD2 3.72Å; V111-F174 HydrophobicContact CG1-CE2 3.63Å; V111-F174 WeakPolarHBondContact O-CB 3.41Å; V111-F174 WeakPolarHBondContact O-CD2 3.04Å
112	G	97.3	Very high	98.2	Very high	6 Å²	6	23.2 Å²	23.2	6%	0.062	13%	0.134	C	C	.	.			trans	-112.3	-180	170.8	0	0	0	0	0	112.3	G110 A114 T115 E173	G110-G112 PolarHBondContact O-N 3.04Å; G112-A114 VanDerWaalsContact C-N 3.28Å; G112-A114 PolarHBondContact O-N 2.86Å; G112-T115 PolarHBondContact N-OG1 3.41Å; G112-T115 VanDerWaalsContact O-CB 3.3Å; G112-T115 WeakPolarHBondContact O-CB 3.31Å; G112-T115 PolarHBondContact O-N 2.85Å; G112-T115 VanDerWaalsContact O-N 3.11Å; G112-T115 PolarHBondContact O-OG1 2.86Å; G112-E173 WeakPolarHBondContact CA-O 3.15Å
113	P	95.3	Very high	98.1	Very high	110 Å²	110	23.3 Å²	23.3	71%	0.714	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.4	-174.4	24.9	-35.6	0	0	0	114	E173	P113-E173 VanDerWaalsContact CD-O 3.23Å; P113-E173 WeakPolarHBondContact CD-O 3.45Å
114	A	96	Very high	98.1	Very high	54 Å²	54	28 Å²	28	45%	0.446	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.9	178.8	0	0	0	0	0	113.5	G112 H116	G112-A114 VanDerWaalsContact C-N 3.28Å; G112-A114 PolarHBondContact O-N 2.86Å; A114-H116 PolarHBondContact O-N 2.92Å
115	T	98.2	Very high	98.1	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.031	15%	0.153	C	C	.	.			trans	-69.8	127	-172.2	-58.7	0	0	0	0	111.1	P48 Q50 V111 G112 V117 H142	P48-T115 CarbonylContact O-C 3.55Å; P48-T115 WeakPolarHBondContact O-CA 3.05Å; Q50-T115 HydrophobicContact CB-CG2 3.42Å; Q50-T115 VanDerWaalsContact CB-CG2 3.42Å; V111-T115 HydrophobicContact CG1-CG2 4.18Å; G112-T115 PolarHBondContact N-OG1 3.41Å; G112-T115 VanDerWaalsContact O-CB 3.3Å; G112-T115 WeakPolarHBondContact O-CB 3.31Å; G112-T115 PolarHBondContact O-N 2.85Å; G112-T115 VanDerWaalsContact O-N 3.11Å; G112-T115 PolarHBondContact O-OG1 2.86Å; T115-V117 HydrophobicContact CG2-CG2 4.08Å; T115-V117 PolarHBondContact O-N 2.93Å; T115-H142 PolarHBondContact O-CE1 2.81Å; T115-H142 PolarHBondContact O-NE2 2.9Å
116	H	98.5	Very high	98.1	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	110.8	161.5	-177.7	-168.2	0	0	0	107.6	F27 R28 W35 Q47 P48 L49 Q50 A114 A144 S146	F27-H116 AromaticContact CE1-CD2 3.74Å; F27-H116 AromaticContact CE1-NE2 3.53Å; F27-H116 AromaticContact CZ-CD2 3.71Å; F27-H116 AromaticContact CZ-NE2 3.73Å; R28-H116 PolarHBondContact NH2-CE1 2.73Å; R28-H116 PolarHBondContact NH2-ND1 3.4Å; R28-H116 VanDerWaalsContact NH2-ND1 3.11Å; W35-H116 AromaticContact CH2-CE1 3.5Å; W35-H116 AromaticContact CH2-ND1 3.47Å; W35-H116 WeakPolarHBondContact CH2-ND1 3.16Å; Q47-H116 HydrophobicContact CG-CB 3.96Å; P48-H116 PolarHBondContact O-N 3Å; L49-H116 WeakPolarHBondContact CA-O 3.49Å; Q50-H116 PolarHBondContact N-O 3.38Å; A114-H116 PolarHBondContact O-N 2.92Å; H116-A144 WeakPolarHBondContact CA-O 3.35Å; H116-A144 PolarHBondContact CD2-O 3.47Å; H116-S146 PolarHBondContact NE2-OG 2.69Å
117	V	98.9	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.1	176.9	-178.4	0	0	0	0	109.1	Q50 L52 V111 T115 I119 F137 A144 V145 S146	Q50-V117 WeakPolarHBondContact O-CA 3.42Å; L52-V117 HydrophobicContact CD1-CG1 3.42Å; L52-V117 VanDerWaalsContact CD1-CG1 3.42Å; L52-V117 HydrophobicContact CG-CG1 3.88Å; V111-V117 HydrophobicContact CG1-CG2 3.53Å; V111-V117 HydrophobicContact CG2-CG2 4.13Å; T115-V117 HydrophobicContact CG2-CG2 4.08Å; T115-V117 PolarHBondContact O-N 2.93Å; V117-I119 HydrophobicContact CG1-CD1 4.19Å; V117-I119 HydrophobicContact CG1-CG1 3.74Å; V117-F137 HydrophobicContact CG1-CD2 4.3Å; V117-F137 HydrophobicContact CG1-CE2 3.97Å; V117-F137 HydrophobicContact CG1-CZ 4.21Å; V117-F137 HydrophobicContact CG2-CD1 4.49Å; V117-F137 HydrophobicContact CG2-CE1 4.19Å; V117-F137 HydrophobicContact CG2-CZ 4.34Å; V117-A144 PolarHBondContact N-O 3.27Å; V117-V145 HydrophobicContact CB-CB 4.24Å; V117-V145 HydrophobicContact CB-CG2 3.96Å; V117-V145 HydrophobicContact CG1-CG2 4.07Å; V117-V145 CarbonylContact O-C 3.32Å; V117-V145 VanDerWaalsContact O-CA 3.28Å; V117-V145 WeakPolarHBondContact O-CA 3.15Å; V117-S146 PolarHBondContact O-N 2.99Å
118	V	98.9	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.2	171.9	173.6	0	0	0	0	108.8	V31 W35 V36 L49 Q50 L51 L52 S146 L148	V31-V118 HydrophobicContact CG2-CB 4.46Å; V31-V118 HydrophobicContact CG2-CG1 3.6Å; V31-V118 HydrophobicContact CG2-CG2 3.94Å; W35-V118 HydrophobicContact CZ3-CG2 4.06Å; V36-V118 HydrophobicContact CG2-CG1 4.09Å; L49-V118 HydrophobicContact CD1-CB 4.12Å; L49-V118 HydrophobicContact CD1-CG2 3.56Å; Q50-V118 PolarHBondContact O-N 3.4Å; L51-V118 CarbonylContact C-O 3.55Å; L51-V118 VanDerWaalsContact CA-O 3.3Å; L51-V118 WeakPolarHBondContact CA-O 3.24Å; L51-V118 HydrophobicContact CD2-CB 3.71Å; L51-V118 HydrophobicContact CD2-CG1 3.68Å; L52-V118 PolarHBondContact N-O 3.49Å; V118-S146 CarbonylContact C-O 3.12Å; V118-S146 WeakPolarHBondContact CA-O 3.37Å; V118-L148 HydrophobicContact CG1-CB 4.24Å
119	I	98.9	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.3	-170.2	-48.9	163.8	0	0	0	108.7	L52 A54 V117 A130 V133 W134 F137 V145 S146 L147 L148	L52-I119 HydrophobicContact CB-CG1 4.26Å; L52-I119 HydrophobicContact CB-CG2 4.33Å; L52-I119 HydrophobicContact CD1-CG1 4.26Å; L52-I119 WeakPolarHBondContact O-CA 3.28Å; A54-I119 HydrophobicContact CB-CG2 3.54Å; V117-I119 HydrophobicContact CG1-CD1 4.19Å; V117-I119 HydrophobicContact CG1-CG1 3.74Å; I119-A130 HydrophobicContact CB-CB 4.46Å; I119-A130 HydrophobicContact CG2-CB 3.7Å; I119-V133 HydrophobicContact CD1-CB 3.99Å; I119-V133 HydrophobicContact CD1-CG1 3.76Å; I119-V133 HydrophobicContact CG1-CG1 4.48Å; I119-V133 HydrophobicContact CG2-CB 4.17Å; I119-V133 HydrophobicContact CG2-CG1 4.4Å; I119-W134 VanDerWaalsContact CD1-CA 3.48Å; I119-W134 HydrophobicContact CD1-CB 3.99Å; I119-W134 VanDerWaalsContact CD1-N 3.28Å; I119-F137 HydrophobicContact CD1-CD2 4Å; I119-F137 HydrophobicContact CD1-CE2 4.36Å; I119-V145 HydrophobicContact CD1-CG2 3.47Å; I119-V145 VanDerWaalsContact CD1-CG2 3.47Å; I119-V145 HydrophobicContact CG1-CG2 4.17Å; I119-S146 PolarHBondContact N-O 3.17Å; I119-L147 HydrophobicContact CB-CD2 4.11Å; I119-L147 CarbonylContact O-C 3.47Å; I119-L147 VanDerWaalsContact O-CA 3.27Å; I119-L147 WeakPolarHBondContact O-CA 3.45Å; I119-L148 PolarHBondContact O-N 2.69Å
120	Y	98.9	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	168.3	171.1	75.6	-89.9	0	0	0	109.9	L52 D53 A54 H73 I74 A77 L148 L152	L52-Y120 WeakPolarHBondContact O-CD1 3.49Å; L52-Y120 PolarHBondContact O-N 3.39Å; D53-Y120 HydrophobicContact CB-CE1 3.96Å; D53-Y120 HydrophobicContact CB-CE2 3.96Å; D53-Y120 WeakPolarHBondContact CB-OH 3.17Å; D53-Y120 VanDerWaalsContact CG-CE2 3.46Å; D53-Y120 WeakPolarHBondContact OD2-CE2 3.4Å; D53-Y120 VanDerWaalsContact OD2-CZ 3.23Å; D53-Y120 PolarHBondContact OD2-OH 2.92Å; A54-Y120 PolarHBondContact N-O 3.46Å; H73-Y120 WeakPolarHBondContact CB-OH 3.36Å; I74-Y120 HydrophobicContact CB-CE1 4.08Å; I74-Y120 HydrophobicContact CD1-CD1 3.69Å; I74-Y120 HydrophobicContact CD1-CD2 4.47Å; I74-Y120 HydrophobicContact CD1-CE1 3.7Å; I74-Y120 HydrophobicContact CD1-CG 4.09Å; I74-Y120 HydrophobicContact CG1-CD1 4.35Å; I74-Y120 HydrophobicContact CG1-CE1 3.84Å; I74-Y120 PolarHBondContact N-OH 3.09Å; A77-Y120 HydrophobicContact CB-CE1 3.98Å; Y120-L148 HydrophobicContact CG-CD2 4.33Å; Y120-L152 HydrophobicContact CD2-CB 3.8Å; Y120-L152 HydrophobicContact CE2-CB 3.83Å; Y120-L152 HydrophobicContact CE2-CD1 4.04Å; Y120-L152 HydrophobicContact CE2-CD2 4.24Å; Y120-L152 HydrophobicContact CE2-CG 4.25Å
121	D	98.9	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.			trans	-136.3	169.7	161.9	61.8	65.6	0	0	0	109.9	S55 S123 L127 Y128 S129 A130 L152	S55-D121 WeakPolarHBondContact OG-CA 3.45Å; D121-S123 WeakPolarHBondContact OD1-CB 3.29Å; D121-S123 PolarHBondContact OD1-N 2.73Å; D121-S123 VanDerWaalsContact OD1-N 3.07Å; D121-S123 PolarHBondContact OD1-OG 3.16Å; D121-L127 WeakPolarHBondContact OD1-CA 3.32Å; D121-Y128 PolarHBondContact OD1-N 3.32Å; D121-Y128 PolarHBondContact OD2-N 2.7Å; D121-S129 PolarHBondContact OD2-N 2.7Å; D121-A130 HydrophobicContact CB-CB 4.18Å; D121-A130 WeakPolarHBondContact OD2-CB 3.44Å; D121-A130 PolarHBondContact OD2-N 2.78Å; D121-L152 PolarHBondContact O-N 3Å
122	A	98.4	Very high	98.3	Very high	13 Å²	13	19 Å²	19	11%	0.107	12%	0.115	C	C	.	.			trans	-104	31.8	-178.7	0	0	0	0	0	112.2	S55 Y57 R63 L152	S55-A122 PolarHBondContact OG-N 2.9Å; Y57-A122 WeakPolarHBondContact OH-CB 3.32Å; Y57-A122 PolarHBondContact OH-O 3.32Å; Y57-A122 VanDerWaalsContact OH-O 3.06Å; R63-A122 PolarHBondContact NH1-O 3.23Å; R63-A122 PolarHBondContact NH2-O 2.85Å; A122-L152 HydrophobicContact CB-CB 3.93Å; A122-L152 HydrophobicContact CB-CD2 3.64Å; A122-L152 HydrophobicContact CB-CG 4.39Å
123	S	98.3	Very high	98.4	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	11%	0.112	C	C	.	.			trans	-71.2	153.5	176.4	67.4	0	0	0	0	112.5	D121 Q125 G126 L127 Y128	D121-S123 WeakPolarHBondContact OD1-CB 3.29Å; D121-S123 PolarHBondContact OD1-N 2.73Å; D121-S123 VanDerWaalsContact OD1-N 3.07Å; D121-S123 PolarHBondContact OD1-OG 3.16Å; S123-Q125 PolarHBondContact O-N 3.28Å; S123-G126 PolarHBondContact O-N 3.32Å; S123-G126 VanDerWaalsContact O-N 3.15Å; S123-L127 VanDerWaalsContact OG-C 3.3Å; S123-L127 PolarHBondContact OG-N 3.2Å; S123-Y128 VanDerWaalsContact CB-CB 3.45Å; S123-Y128 WeakPolarHBondContact OG-CB 3.25Å; S123-Y128 PolarHBondContact OG-N 2.91Å
124	D	98	Very high	98.6	Very high	105 Å²	105	13.6 Å²	13.6	56%	0.561	8%	0.078	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.6	178.8	-59.1	-34	0	0	0	111.7	R63 G126 R153	R63-D124 IonicContact NH1-OD1 2.69Å; R63-D124 PolarHBondContact NH1-OD1 3.2Å; R63-D124 IonicContact NH1-OD2 3.14Å; D124-G126 PolarHBondContact O-N 3.44Å; D124-R153 WeakPolarHBondContact O-CD 3.26Å; D124-R153 VanDerWaalsContact O-CZ 3.25Å; D124-R153 PolarHBondContact O-NE 3.14Å; D124-R153 PolarHBondContact O-NH1 3.25Å
125	Q	98.3	Very high	98.7	Very high	70 Å²	70	11 Å²	11	33%	0.327	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.2	175.3	-63.3	85.6	-16	0	0	112.4	S123 F233 T234 L237 G241	S123-Q125 PolarHBondContact O-N 3.28Å; Q125-F233 HydrophobicContact CB-CE2 4.16Å; Q125-F233 HydrophobicContact CG-CE2 3.93Å; Q125-F233 HydrophobicContact CG-CZ 3.91Å; Q125-T234 HydrophobicContact CG-CG2 4.25Å; Q125-L237 HydrophobicContact CB-CD1 4.06Å; Q125-G241 WeakPolarHBondContact O-CA 3.3Å
126	G	98.6	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	102.1	-61.5	-171.7	0	0	0	0	0	110.7	S123 D124 G151	S123-G126 PolarHBondContact O-N 3.32Å; S123-G126 VanDerWaalsContact O-N 3.15Å; D124-G126 PolarHBondContact O-N 3.44Å; G126-G151 WeakPolarHBondContact O-CA 3.29Å
127	L	98.8	Very high	98.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.055	C	C	.	.			trans	-131.2	144.1	168.9	-64.7	175.4	0	0	0	110.2	D121 S123 A130 P131 L147 H276	D121-L127 WeakPolarHBondContact OD1-CA 3.32Å; S123-L127 VanDerWaalsContact OG-C 3.3Å; S123-L127 PolarHBondContact OG-N 3.2Å; L127-A130 HydrophobicContact CD2-CB 3.98Å; L127-P131 HydrophobicContact CB-CG 4.41Å; L127-L147 HydrophobicContact CD1-CB 4.06Å; L127-H276 PolarHBondContact O-CE1 3.5Å; L127-H276 PolarHBondContact O-NE2 3Å
128	Y	98.8	Very high	98.8	Very high	26 Å²	26	11.8 Å²	11.8	10%	0.102	6%	0.059	C	C	.	.	S	Bend	trans	-144.1	-61.7	-179	175.6	-107.4	0	0	0	112.1	W56 D121 S123 F233 T273	W56-Y128 HydrophobicContact CE3-CE1 4.06Å; W56-Y128 HydrophobicContact CZ3-CE1 4.32Å; W56-Y128 WeakPolarHBondContact O-CD1 3.32Å; D121-Y128 PolarHBondContact OD1-N 3.32Å; D121-Y128 PolarHBondContact OD2-N 2.7Å; S123-Y128 VanDerWaalsContact CB-CB 3.45Å; S123-Y128 WeakPolarHBondContact OG-CB 3.25Å; S123-Y128 PolarHBondContact OG-N 2.91Å; Y128-F233 HydrophobicContact CD2-CE1 4.24Å; Y128-F233 AromaticContact CD2-CE2 3.81Å; Y128-F233 HydrophobicContact CD2-CE2 3.81Å; Y128-F233 AromaticContact CD2-CZ 3.58Å; Y128-F233 HydrophobicContact CD2-CZ 3.58Å; Y128-F233 HydrophobicContact CE2-CE1 4.16Å; Y128-F233 AromaticContact CE2-CZ 3.93Å; Y128-F233 HydrophobicContact CE2-CZ 3.93Å; Y128-T273 HydrophobicContact CD2-CG2 3.85Å; Y128-T273 HydrophobicContact CE2-CG2 3.33Å
129	S	98.8	Very high	98.7	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.059	C	C	.	.	S	Bend	trans	-99.4	-23.6	-176	50.7	0	0	0	0	112.5	A54 W56 D121 R132	A54-S129 WeakPolarHBondContact O-CB 3.39Å; A54-S129 PolarHBondContact O-OG 3.29Å; W56-S129 PolarHBondContact N-OG 2.72Å; W56-S129 VanDerWaalsContact N-OG 3.16Å; D121-S129 PolarHBondContact OD2-N 2.7Å; S129-R132 VanDerWaalsContact O-CB 3.25Å; S129-R132 WeakPolarHBondContact O-CB 3.42Å; S129-R132 PolarHBondContact O-N 3.05Å; S129-R132 VanDerWaalsContact O-N 3.08Å
130	A	98.9	Very high	98.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.9	-40.3	179.3	0	0	0	0	0	114.1	A54 I119 D121 L127 R132 V133 W134 L147	A54-A130 HydrophobicContact CB-CB 4.43Å; I119-A130 HydrophobicContact CB-CB 4.46Å; I119-A130 HydrophobicContact CG2-CB 3.7Å; D121-A130 HydrophobicContact CB-CB 4.18Å; D121-A130 WeakPolarHBondContact OD2-CB 3.44Å; D121-A130 PolarHBondContact OD2-N 2.78Å; L127-A130 HydrophobicContact CD2-CB 3.98Å; A130-R132 PolarHBondContact O-N 3.02Å; A130-V133 PolarHBondContact O-N 3.44Å; A130-W134 PolarHBondContact O-N 2.84Å; A130-L147 HydrophobicContact CB-CD2 3.57Å; A130-L147 WeakPolarHBondContact O-CD2 2.98Å
131	P	98.9	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-28.5	176.2	-28.3	38.6	0	0	0	113.9	L127 W134 W135 L147 C275 L279	L127-P131 HydrophobicContact CB-CG 4.41Å; P131-W134 PolarHBondContact O-N 3.41Å; P131-W135 WeakPolarHBondContact O-CB 3.35Å; P131-W135 PolarHBondContact O-N 2.67Å; P131-L147 HydrophobicContact CB-CD1 4.14Å; P131-L147 HydrophobicContact CG-CD1 3.95Å; P131-L147 HydrophobicContact CG-CD2 4.3Å; P131-C275 VanDerWaalsContact C-CB 3.47Å; P131-C275 HydrophobicContact CB-CB 3.92Å; P131-C275 WeakPolarHBondContact O-CB 3.35Å; P131-L279 HydrophobicContact CG-CD2 4.41Å
132	R	98.9	Very high	98.7	Very high	3 Å²	3	15 Å²	15	1%	0.011	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-48.8	172.7	172.3	58.3	176.5	-159.5	3.8	111	H94 S129 A130 W135 M136 G271 V272 D293	H94-R132 PolarHBondContact O-NH2 2.93Å; S129-R132 VanDerWaalsContact O-CB 3.25Å; S129-R132 WeakPolarHBondContact O-CB 3.42Å; S129-R132 PolarHBondContact O-N 3.05Å; S129-R132 VanDerWaalsContact O-N 3.08Å; A130-R132 PolarHBondContact O-N 3.02Å; R132-W135 VanDerWaalsContact CZ-CZ3 3.41Å; R132-W135 VanDerWaalsContact NH1-CZ3 3.28Å; R132-W135 PolarHBondContact O-N 3.21Å; R132-M136 HydrophobicContact CG-SD 4.01Å; R132-M136 VanDerWaalsContact O-CG 3.25Å; R132-M136 WeakPolarHBondContact O-CG 3.45Å; R132-M136 PolarHBondContact O-N 3.49Å; R132-G271 PolarHBondContact NH1-O 3.14Å; R132-V272 HydrophobicContact CB-CB 4.49Å; R132-V272 HydrophobicContact CB-CG1 3.99Å; R132-V272 HydrophobicContact CG-CG1 4.49Å; R132-V272 HydrophobicContact CG-CG2 4.43Å; R132-D293 IonicContact CZ-OD1 2.86Å; R132-D293 IonicContact NH1-OD1 3.98Å; R132-D293 PolarHBondContact NH1-OD1 3.31Å; R132-D293 IonicContact NH2-OD1 2.9Å; R132-D293 PolarHBondContact NH2-OD1 3.22Å; R132-D293 IonicContact NH2-OD2 2.8Å
133	V	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.8	-37.2	-179.4	-176.2	0	0	0	0	111	A54 F80 I82 I119 A130 W135 M136 F137	A54-V133 HydrophobicContact CB-CB 4.16Å; A54-V133 HydrophobicContact CB-CG2 3.61Å; F80-V133 HydrophobicContact CD1-CB 4.44Å; F80-V133 HydrophobicContact CD1-CG1 3.9Å; F80-V133 HydrophobicContact CD1-CG2 3.6Å; F80-V133 HydrophobicContact CD2-CG1 3.88Å; F80-V133 HydrophobicContact CE1-CB 4.41Å; F80-V133 HydrophobicContact CE1-CG1 3.85Å; F80-V133 HydrophobicContact CE1-CG2 3.64Å; F80-V133 HydrophobicContact CE2-CG1 3.81Å; F80-V133 HydrophobicContact CG-CG1 3.93Å; F80-V133 HydrophobicContact CG-CG2 4.33Å; F80-V133 HydrophobicContact CZ-CG1 3.8Å; F80-V133 HydrophobicContact CZ-CG2 4.37Å; I82-V133 HydrophobicContact CG2-CG2 3.61Å; I119-V133 HydrophobicContact CD1-CB 3.99Å; I119-V133 HydrophobicContact CD1-CG1 3.76Å; I119-V133 HydrophobicContact CG1-CG1 4.48Å; I119-V133 HydrophobicContact CG2-CB 4.17Å; I119-V133 HydrophobicContact CG2-CG1 4.4Å; A130-V133 PolarHBondContact O-N 3.44Å; V133-W135 VanDerWaalsContact C-N 3.32Å; V133-W135 PolarHBondContact O-N 2.87Å; V133-M136 HydrophobicContact CG2-SD 4.43Å; V133-M136 PolarHBondContact O-N 2.87Å; V133-F137 HydrophobicContact CG1-CD2 3.87Å; V133-F137 HydrophobicContact CG1-CE2 3.66Å; V133-F137 VanDerWaalsContact O-CD2 3.3Å; V133-F137 WeakPolarHBondContact O-CD2 3.41Å; V133-F137 PolarHBondContact O-N 3.41Å
134	W	98.9	Very high	98.6	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-56.5	-46.8	171.6	163.2	86.7	0	0	0	111.6	A29 I119 A130 P131 R138 V145 L147 A278 L279 Y282	A29-W134 HydrophobicContact CB-CZ2 4.14Å; I119-W134 VanDerWaalsContact CD1-CA 3.48Å; I119-W134 HydrophobicContact CD1-CB 3.99Å; I119-W134 VanDerWaalsContact CD1-N 3.28Å; A130-W134 PolarHBondContact O-N 2.84Å; P131-W134 PolarHBondContact O-N 3.41Å; W134-R138 WeakPolarHBondContact O-CG 3.39Å; W134-R138 PolarHBondContact O-N 2.83Å; W134-V145 HydrophobicContact CB-CG2 4.48Å; W134-L147 HydrophobicContact CB-CD1 4.1Å; W134-L147 HydrophobicContact CB-CD2 3.88Å; W134-L147 HydrophobicContact CB-CG 3.88Å; W134-L147 HydrophobicContact CD2-CD1 4.46Å; W134-L147 HydrophobicContact CG-CD1 4.11Å; W134-L147 HydrophobicContact CG-CG 4.14Å; W134-A278 HydrophobicContact CZ3-CB 4.43Å; W134-L279 HydrophobicContact CH2-CD1 4.43Å; W134-L279 HydrophobicContact CZ2-CD1 4.39Å; W134-L279 HydrophobicContact CZ3-CB 4.25Å; W134-Y282 HydrophobicContact CH2-CD2 4.11Å; W134-Y282 HydrophobicContact CH2-CG 4.08Å; W134-Y282 HydrophobicContact CZ2-CD1 4.25Å; W134-Y282 AromaticContact CZ2-CD2 3.9Å; W134-Y282 HydrophobicContact CZ2-CD2 3.9Å; W134-Y282 HydrophobicContact CZ2-CE2 4.27Å; W134-Y282 AromaticContact CZ2-CG 3.89Å; W134-Y282 HydrophobicContact CZ2-CG 3.89Å
135	W	98.9	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-40.8	176.6	168.5	89.5	0	0	0	111.9	L96 P131 R132 V133 F137 R138 A139 F182 I183 C275 I291	L96-W135 HydrophobicContact CD1-CH2 3.33Å; L96-W135 HydrophobicContact CD1-CZ2 4.21Å; L96-W135 HydrophobicContact CD1-CZ3 3.85Å; L96-W135 HydrophobicContact CD2-CH2 3.98Å; L96-W135 HydrophobicContact CD2-CZ3 3.57Å; L96-W135 HydrophobicContact CG-CH2 3.66Å; L96-W135 HydrophobicContact CG-CZ3 3.72Å; P131-W135 WeakPolarHBondContact O-CB 3.35Å; P131-W135 PolarHBondContact O-N 2.67Å; R132-W135 VanDerWaalsContact CZ-CZ3 3.41Å; R132-W135 VanDerWaalsContact NH1-CZ3 3.28Å; R132-W135 PolarHBondContact O-N 3.21Å; V133-W135 VanDerWaalsContact C-N 3.32Å; V133-W135 PolarHBondContact O-N 2.87Å; W135-F137 PolarHBondContact O-N 2.97Å; W135-R138 WeakPolarHBondContact O-CB 3.34Å; W135-R138 PolarHBondContact O-N 3.37Å; W135-R138 VanDerWaalsContact O-N 3.15Å; W135-A139 HydrophobicContact CZ2-CB 4.36Å; W135-A139 WeakPolarHBondContact O-CB 3.38Å; W135-A139 PolarHBondContact O-N 3.24Å; W135-F182 AromaticContact CD1-CD1 3.87Å; W135-F182 HydrophobicContact CZ2-CB 4.2Å; W135-F182 VanDerWaalsContact CZ2-O 3.28Å; W135-F182 WeakPolarHBondContact CZ2-O 3.34Å; W135-F182 AromaticContact NE1-CD1 3.56Å; W135-F182 PolarHBondContact NE1-O 2.76Å; W135-I183 HydrophobicContact CH2-CG1 4.26Å; W135-I183 HydrophobicContact CZ2-CG1 4.08Å; W135-C275 HydrophobicContact CB-CB 4.22Å; W135-I291 HydrophobicContact CD2-CG1 3.9Å; W135-I291 VanDerWaalsContact CE2-CG1 3.42Å; W135-I291 HydrophobicContact CG-CG1 4.1Å; W135-I291 HydrophobicContact CH2-CB 4.34Å; W135-I291 HydrophobicContact CZ2-CB 3.79Å; W135-I291 HydrophobicContact CZ2-CG1 3.8Å; W135-I291 VanDerWaalsContact NE1-CG1 3.35Å
136	M	98.9	Very high	98.7	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.02	8%	0.079	C	C	.	.	H	α-helix	trans	-58.2	-48.6	177.6	-70.2	166.7	71.4	0	0	111.7	F80 C85 L96 F102 R132 V133 R138 A139 F140	F80-M136 HydrophobicContact CE1-CE 4.37Å; F80-M136 HydrophobicContact CZ-CE 4.12Å; C85-M136 HydrophobicContact CB-CE 4.4Å; C85-M136 VanDerWaalsContact O-CE 3.32Å; C85-M136 WeakPolarHBondContact O-CE 3.44Å; L96-M136 HydrophobicContact CD2-CB 4.44Å; L96-M136 HydrophobicContact CD2-CE 4.4Å; L96-M136 HydrophobicContact CD2-CG 3.77Å; F102-M136 HydrophobicContact CD2-CE 4.05Å; F102-M136 HydrophobicContact CE2-CB 3.95Å; F102-M136 HydrophobicContact CE2-CE 4.01Å; F102-M136 HydrophobicContact CZ-CB 4.43Å; R132-M136 HydrophobicContact CG-SD 4.01Å; R132-M136 VanDerWaalsContact O-CG 3.25Å; R132-M136 WeakPolarHBondContact O-CG 3.45Å; R132-M136 PolarHBondContact O-N 3.49Å; V133-M136 HydrophobicContact CG2-SD 4.43Å; V133-M136 PolarHBondContact O-N 2.87Å; M136-R138 VanDerWaalsContact C-N 3.27Å; M136-R138 PolarHBondContact O-N 3.04Å; M136-A139 PolarHBondContact O-N 2.58Å; M136-F140 WeakPolarHBondContact O-CD2 3.28Å; M136-F140 PolarHBondContact O-N 3.44Å
137	F	98.9	Very high	98.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.1	-43.5	176.3	-86.6	-75.8	0	0	0	111.7	L52 F80 F102 A106 V111 V117 I119 V133 W135 F140 G141 H142 V145 F174	L52-F137 HydrophobicContact CD1-CE2 3.52Å; L52-F137 HydrophobicContact CD1-CZ 3.77Å; F80-F137 HydrophobicContact CD2-CE2 4.48Å; F80-F137 HydrophobicContact CE2-CE2 4.15Å; F80-F137 HydrophobicContact CE2-CZ 4.36Å; F102-F137 AromaticContact CE1-CD1 3.93Å; F102-F137 HydrophobicContact CE1-CD1 3.93Å; F102-F137 HydrophobicContact CE1-CE1 4.05Å; F102-F137 HydrophobicContact CE1-CG 4.48Å; F102-F137 HydrophobicContact CZ-CB 4.47Å; F102-F137 AromaticContact CZ-CD1 3.65Å; F102-F137 HydrophobicContact CZ-CD1 3.65Å; F102-F137 HydrophobicContact CZ-CD2 4.12Å; F102-F137 AromaticContact CZ-CE1 3.74Å; F102-F137 HydrophobicContact CZ-CE1 3.74Å; F102-F137 HydrophobicContact CZ-CE2 4.2Å; F102-F137 AromaticContact CZ-CG 3.84Å; F102-F137 HydrophobicContact CZ-CG 3.84Å; F102-F137 HydrophobicContact CZ-CZ 4.02Å; A106-F137 HydrophobicContact CB-CE1 4.05Å; A106-F137 HydrophobicContact CB-CZ 4.26Å; V111-F137 HydrophobicContact CG1-CE1 3.96Å; V111-F137 HydrophobicContact CG2-CE1 4.44Å; V111-F137 HydrophobicContact CG2-CZ 4.25Å; V117-F137 HydrophobicContact CG1-CD2 4.3Å; V117-F137 HydrophobicContact CG1-CE2 3.97Å; V117-F137 HydrophobicContact CG1-CZ 4.21Å; V117-F137 HydrophobicContact CG2-CD1 4.49Å; V117-F137 HydrophobicContact CG2-CE1 4.19Å; V117-F137 HydrophobicContact CG2-CZ 4.34Å; I119-F137 HydrophobicContact CD1-CD2 4Å; I119-F137 HydrophobicContact CD1-CE2 4.36Å; V133-F137 HydrophobicContact CG1-CD2 3.87Å; V133-F137 HydrophobicContact CG1-CE2 3.66Å; V133-F137 VanDerWaalsContact O-CD2 3.3Å; V133-F137 WeakPolarHBondContact O-CD2 3.41Å; V133-F137 PolarHBondContact O-N 3.41Å; W135-F137 PolarHBondContact O-N 2.97Å; F137-F140 CarbonylContact O-C 3.42Å; F137-F140 PolarHBondContact O-N 2.94Å; F137-G141 PolarHBondContact O-N 3.46Å; F137-H142 CarbonylContact C-O 3.54Å; F137-H142 HydrophobicContact CB-CB 4.27Å; F137-H142 HydrophobicContact CD1-CB 3.98Å; F137-H142 WeakPolarHBondContact O-CA 3.46Å; F137-H142 WeakPolarHBondContact O-CB 3.24Å; F137-H142 PolarHBondContact O-N 3.26Å; F137-V145 HydrophobicContact CB-CB 4.13Å; F137-V145 HydrophobicContact CB-CG1 3.96Å; F137-V145 HydrophobicContact CB-CG2 4.08Å; F137-V145 HydrophobicContact CD2-CG2 4.22Å; F137-V145 HydrophobicContact CG-CG2 4.31Å; F137-F174 HydrophobicContact CD1-CE2 4.33Å; F137-F174 HydrophobicContact CD1-CZ 4Å; F137-F174 HydrophobicContact CE1-CE2 4.1Å; F137-F174 HydrophobicContact CE1-CZ 4.04Å
138	R	98.8	Very high	98.7	Very high	22 Å²	22	15.1 Å²	15.1	8%	0.083	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-44	177.3	-66.3	177.7	61.3	-124.3	-6.2	112.5	W134 W135 M136 F140 G141 V145 F182 P287	W134-R138 WeakPolarHBondContact O-CG 3.39Å; W134-R138 PolarHBondContact O-N 2.83Å; W135-R138 WeakPolarHBondContact O-CB 3.34Å; W135-R138 PolarHBondContact O-N 3.37Å; W135-R138 VanDerWaalsContact O-N 3.15Å; M136-R138 VanDerWaalsContact C-N 3.27Å; M136-R138 PolarHBondContact O-N 3.04Å; R138-F140 PolarHBondContact O-N 3.19Å; R138-G141 PolarHBondContact O-N 3.21Å; R138-V145 HydrophobicContact CG-CG1 3.73Å; R138-F182 HydrophobicContact CB-CD1 4.42Å; R138-F182 HydrophobicContact CB-CE1 3.55Å; R138-F182 HydrophobicContact CB-CZ 4.04Å; R138-P287 PolarHBondContact NH2-O 3.42Å
139	A	98.7	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-33.7	177.6	0	0	0	0	0	111.4	W135 M136 G141 L178 D179 F182	W135-A139 HydrophobicContact CZ2-CB 4.36Å; W135-A139 WeakPolarHBondContact O-CB 3.38Å; W135-A139 PolarHBondContact O-N 3.24Å; M136-A139 PolarHBondContact O-N 2.58Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-L178 HydrophobicContact CB-CD1 4.11Å; A139-L178 CarbonylContact O-C 3.57Å; A139-L178 WeakPolarHBondContact O-CA 3.3Å; A139-D179 PolarHBondContact O-N 3.31Å; A139-F182 HydrophobicContact CB-CB 3.72Å; A139-F182 HydrophobicContact CB-CD1 3.86Å; A139-F182 HydrophobicContact CB-CG 3.82Å
140	F	98.8	Very high	98.7	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	11.4	175.1	-70.4	-62	0	0	0	114.9	L96 P97 A99 F102 M136 F137 R138 A176 Q177 L178	L96-F140 HydrophobicContact CD2-CE2 3.69Å; L96-F140 HydrophobicContact CD2-CZ 4Å; P97-F140 HydrophobicContact CG-CE2 4.35Å; P97-F140 HydrophobicContact CG-CZ 4.27Å; P97-F140 WeakPolarHBondContact O-CZ 3.45Å; A99-F140 HydrophobicContact CB-CD1 4.09Å; A99-F140 HydrophobicContact CB-CE1 4Å; F102-F140 HydrophobicContact CB-CD1 4.43Å; F102-F140 HydrophobicContact CB-CD2 3.8Å; F102-F140 HydrophobicContact CB-CE1 4.29Å; F102-F140 HydrophobicContact CB-CE2 3.61Å; F102-F140 HydrophobicContact CB-CG 4.21Å; F102-F140 HydrophobicContact CB-CZ 3.89Å; F102-F140 HydrophobicContact CD1-CB 3.67Å; F102-F140 HydrophobicContact CD1-CD1 4.43Å; F102-F140 AromaticContact CD1-CD2 3.3Å; F102-F140 HydrophobicContact CD1-CD2 3.3Å; F102-F140 HydrophobicContact CD1-CE2 4.02Å; F102-F140 AromaticContact CD1-CG 3.55Å; F102-F140 HydrophobicContact CD1-CG 3.55Å; F102-F140 AromaticContact CD2-CD2 3.5Å; F102-F140 HydrophobicContact CD2-CD2 3.5Å; F102-F140 AromaticContact CD2-CE2 3.53Å; F102-F140 HydrophobicContact CD2-CE2 3.53Å; F102-F140 HydrophobicContact CE1-CB 3.76Å; F102-F140 AromaticContact CE1-CD2 3.66Å; F102-F140 HydrophobicContact CE1-CD2 3.66Å; F102-F140 HydrophobicContact CE1-CG 4.01Å; F102-F140 AromaticContact CE2-CD2 3.85Å; F102-F140 HydrophobicContact CE2-CD2 3.85Å; F102-F140 HydrophobicContact CE2-CE2 4.19Å; F102-F140 HydrophobicContact CG-CB 4.44Å; F102-F140 AromaticContact CG-CD2 3.22Å; F102-F140 HydrophobicContact CG-CD2 3.22Å; F102-F140 AromaticContact CG-CE2 3.43Å; F102-F140 HydrophobicContact CG-CE2 3.43Å; F102-F140 VanDerWaalsContact CG-CE2 3.43Å; F102-F140 AromaticContact CG-CG 3.84Å; F102-F140 HydrophobicContact CG-CG 3.84Å; F102-F140 HydrophobicContact CG-CZ 4.21Å; F102-F140 AromaticContact CZ-CD2 3.92Å; F102-F140 HydrophobicContact CZ-CD2 3.92Å; M136-F140 WeakPolarHBondContact O-CD2 3.28Å; M136-F140 PolarHBondContact O-N 3.44Å; F137-F140 CarbonylContact O-C 3.42Å; F137-F140 PolarHBondContact O-N 2.94Å; R138-F140 PolarHBondContact O-N 3.19Å; F140-A176 HydrophobicContact CB-CB 3.97Å; F140-A176 HydrophobicContact CD1-CB 4.1Å; F140-A176 HydrophobicContact CG-CB 4.23Å; F140-Q177 CarbonylContact C-O 3.09Å; F140-Q177 VanDerWaalsContact CA-O 3.25Å; F140-Q177 WeakPolarHBondContact CA-O 3.36Å; F140-Q177 PolarHBondContact O-N 3.1Å; F140-L178 HydrophobicContact CD1-CB 4.01Å; F140-L178 HydrophobicContact CD1-CD1 4.31Å; F140-L178 HydrophobicContact CE1-CB 3.88Å; F140-L178 HydrophobicContact CE1-CD1 4.08Å; F140-L178 HydrophobicContact CE1-CG 4.44Å
141	G	97.9	Very high	98.7	Very high	51 Å²	51	15.6 Å²	15.6	53%	0.526	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-2.1	171.3	0	0	0	0	0	115.8	F137 R138 A139 R143	F137-G141 PolarHBondContact O-N 3.46Å; R138-G141 PolarHBondContact O-N 3.21Å; A139-G141 VanDerWaalsContact C-N 3.32Å; G141-R143 PolarHBondContact O-N 3.11Å
142	H	98.4	Very high	98.7	Very high	15 Å²	15	16.2 Å²	16.2	7%	0.069	9%	0.086	C	C	.	.			trans	-91.1	98.3	179.8	-166.7	83.3	0	0	0	111.8	T115 F137 A144 V145 F174	T115-H142 PolarHBondContact O-CE1 2.81Å; T115-H142 PolarHBondContact O-NE2 2.9Å; F137-H142 CarbonylContact C-O 3.54Å; F137-H142 HydrophobicContact CB-CB 4.27Å; F137-H142 HydrophobicContact CD1-CB 3.98Å; F137-H142 WeakPolarHBondContact O-CA 3.46Å; F137-H142 WeakPolarHBondContact O-CB 3.24Å; F137-H142 PolarHBondContact O-N 3.26Å; H142-A144 PolarHBondContact NE2-O 2.83Å; H142-V145 WeakPolarHBondContact O-CG1 3.39Å; H142-F174 HydrophobicContact CB-CE2 4.17Å; H142-F174 HydrophobicContact CB-CZ 3.77Å; H142-F174 AromaticContact CG-CE2 3.94Å; H142-F174 AromaticContact ND1-CE2 3.67Å
143	R	97.4	Very high	98.7	Very high	172 Å²	172	20.3 Å²	20.3	65%	0.649	10%	0.101	S	C	*	.			trans	-83.6	-22.2	-174	-61.4	-177.6	-178.8	-121.1	-3.5	114.5	F27 G141 V145	F27-R143 WeakPolarHBondContact CB-O 3.26Å; F27-R143 WeakPolarHBondContact CD1-O 3.36Å; F27-R143 WeakPolarHBondContact CG-O 3.33Å; G141-R143 PolarHBondContact O-N 3.11Å; R143-V145 PolarHBondContact O-N 3.04Å
144	A	98.1	Very high	98.6	Very high	21 Å²	21	21.7 Å²	21.7	17%	0.174	11%	0.108	C	C	.	.			trans	-79.8	62.8	-179.5	0	0	0	0	0	110.9	F27 H116 V117 H142	F27-A144 HydrophobicContact CE1-CB 4.48Å; F27-A144 HydrophobicContact CE2-CB 4.11Å; F27-A144 HydrophobicContact CZ-CB 4.06Å; H116-A144 WeakPolarHBondContact CA-O 3.35Å; H116-A144 PolarHBondContact CD2-O 3.47Å; V117-A144 PolarHBondContact N-O 3.27Å; H142-A144 PolarHBondContact NE2-O 2.83Å
145	V	98.8	Very high	98.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.5	-177.2	60.9	0	0	0	0	110.6	V117 I119 W134 F137 R138 H142 R143	V117-V145 HydrophobicContact CB-CB 4.24Å; V117-V145 HydrophobicContact CB-CG2 3.96Å; V117-V145 HydrophobicContact CG1-CG2 4.07Å; V117-V145 CarbonylContact O-C 3.32Å; V117-V145 VanDerWaalsContact O-CA 3.28Å; V117-V145 WeakPolarHBondContact O-CA 3.15Å; I119-V145 HydrophobicContact CD1-CG2 3.47Å; I119-V145 VanDerWaalsContact CD1-CG2 3.47Å; I119-V145 HydrophobicContact CG1-CG2 4.17Å; W134-V145 HydrophobicContact CB-CG2 4.48Å; F137-V145 HydrophobicContact CB-CB 4.13Å; F137-V145 HydrophobicContact CB-CG1 3.96Å; F137-V145 HydrophobicContact CB-CG2 4.08Å; F137-V145 HydrophobicContact CD2-CG2 4.22Å; F137-V145 HydrophobicContact CG-CG2 4.31Å; R138-V145 HydrophobicContact CG-CG1 3.73Å; H142-V145 WeakPolarHBondContact O-CG1 3.39Å; R143-V145 PolarHBondContact O-N 3.04Å
146	S	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.3	177.6	-49.7	0	0	0	0	110.8	F27 R28 A29 H116 V117 V118 I119	F27-S146 WeakPolarHBondContact CE1-OG 3.42Å; R28-S146 PolarHBondContact O-OG 2.82Å; A29-S146 CarbonylContact O-C 3.53Å; A29-S146 VanDerWaalsContact O-CA 3.28Å; A29-S146 WeakPolarHBondContact O-CA 3.38Å; H116-S146 PolarHBondContact NE2-OG 2.69Å; V117-S146 PolarHBondContact O-N 2.99Å; V118-S146 CarbonylContact C-O 3.12Å; V118-S146 WeakPolarHBondContact CA-O 3.37Å; I119-S146 PolarHBondContact N-O 3.17Å
147	L	99	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.4	169.2	-65	157.2	0	0	0	109.4	A29 L30 V31 I119 L127 A130 P131 W134 D149 L279	A29-L147 PolarHBondContact O-N 2.8Å; L30-L147 WeakPolarHBondContact CA-O 3.42Å; L30-L147 HydrophobicContact CD2-CB 4.02Å; V31-L147 WeakPolarHBondContact CG2-O 3.37Å; V31-L147 PolarHBondContact N-O 2.89Å; I119-L147 HydrophobicContact CB-CD2 4.11Å; I119-L147 CarbonylContact O-C 3.47Å; I119-L147 VanDerWaalsContact O-CA 3.27Å; I119-L147 WeakPolarHBondContact O-CA 3.45Å; L127-L147 HydrophobicContact CD1-CB 4.06Å; A130-L147 HydrophobicContact CB-CD2 3.57Å; A130-L147 WeakPolarHBondContact O-CD2 2.98Å; P131-L147 HydrophobicContact CB-CD1 4.14Å; P131-L147 HydrophobicContact CG-CD1 3.95Å; P131-L147 HydrophobicContact CG-CD2 4.3Å; W134-L147 HydrophobicContact CB-CD1 4.1Å; W134-L147 HydrophobicContact CB-CD2 3.88Å; W134-L147 HydrophobicContact CB-CG 3.88Å; W134-L147 HydrophobicContact CD2-CD1 4.46Å; W134-L147 HydrophobicContact CG-CD1 4.11Å; W134-L147 HydrophobicContact CG-CG 4.14Å; L147-D149 PolarHBondContact O-N 3.43Å; L147-L279 HydrophobicContact CD1-CD1 3.9Å; L147-L279 HydrophobicContact CD1-CD2 3.5Å; L147-L279 VanDerWaalsContact CD1-CD2 3.5Å; L147-L279 HydrophobicContact CD1-CG 4.28Å
148	L	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	108.1	167.6	173.2	58.4	0	0	0	108.7	A33 V36 I74 V118 I119 Y120 G150 G151 W155	A33-L148 HydrophobicContact CB-CD1 3.98Å; V36-L148 HydrophobicContact CG2-CD1 4.05Å; I74-L148 HydrophobicContact CD1-CD2 3.37Å; V118-L148 HydrophobicContact CG1-CB 4.24Å; I119-L148 PolarHBondContact O-N 2.69Å; Y120-L148 HydrophobicContact CG-CD2 4.33Å; L148-G150 PolarHBondContact O-N 3.15Å; L148-G151 PolarHBondContact O-N 3.01Å; L148-W155 HydrophobicContact CD2-CE3 4.16Å
149	D	98.9	Very high	98.5	Very high	37 Å²	37	39.7 Å²	39.7	20%	0.198	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	126	179.1	-173.2	18.8	0	0	0	110.7	L30 V31 L147 G151 L242 E243	L30-D149 HydrophobicContact CD2-CB 4.41Å; V31-D149 PolarHBondContact O-N 2.96Å; L147-D149 PolarHBondContact O-N 3.43Å; D149-G151 VanDerWaalsContact C-N 3.3Å; D149-G151 PolarHBondContact O-N 3.28Å; D149-L242 WeakPolarHBondContact OD1-CA 3.5Å; D149-E243 PolarHBondContact OD1-N 3.13Å
150	G	98.6	Very high	98.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-5.2	-173.8	0	0	0	0	0	116.5	L148 H154 G241	L148-G150 PolarHBondContact O-N 3.15Å; G150-H154 VanDerWaalsContact O-CB 3.29Å; G150-H154 WeakPolarHBondContact O-CB 3.42Å; G150-H154 PolarHBondContact O-N 3.46Å; G150-G241 WeakPolarHBondContact CA-O 3.42Å
151	G	98.8	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	53.8	-156	177.9	0	0	0	0	0	115	G126 L148 D149 R153 H154 W155	G126-G151 WeakPolarHBondContact O-CA 3.29Å; L148-G151 PolarHBondContact O-N 3.01Å; D149-G151 VanDerWaalsContact C-N 3.3Å; D149-G151 PolarHBondContact O-N 3.28Å; G151-R153 PolarHBondContact O-N 2.97Å; G151-H154 PolarHBondContact O-N 3.03Å; G151-W155 PolarHBondContact O-N 3.46Å
152	L	98.8	Very high	98.5	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-30.3	178.1	-167.8	64.4	0	0	0	111.3	I74 Y120 D121 A122 H154 W155 L156 L162	I74-L152 HydrophobicContact CG1-CD1 3.93Å; Y120-L152 HydrophobicContact CD2-CB 3.8Å; Y120-L152 HydrophobicContact CE2-CB 3.83Å; Y120-L152 HydrophobicContact CE2-CD1 4.04Å; Y120-L152 HydrophobicContact CE2-CD2 4.24Å; Y120-L152 HydrophobicContact CE2-CG 4.25Å; D121-L152 PolarHBondContact O-N 3Å; A122-L152 HydrophobicContact CB-CB 3.93Å; A122-L152 HydrophobicContact CB-CD2 3.64Å; A122-L152 HydrophobicContact CB-CG 4.39Å; L152-H154 VanDerWaalsContact C-N 3.33Å; L152-H154 PolarHBondContact O-N 3.15Å; L152-W155 HydrophobicContact CD1-CB 4.27Å; L152-W155 HydrophobicContact CD1-CG 4.32Å; L152-W155 WeakPolarHBondContact O-CB 3.33Å; L152-W155 PolarHBondContact O-N 3.31Å; L152-L156 HydrophobicContact CG-CD1 4.21Å; L152-L156 HydrophobicContact CG-CG 4.24Å; L152-L156 WeakPolarHBondContact O-CB 3.1Å; L152-L156 VanDerWaalsContact O-CG 3.27Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 2.89Å; L152-L162 HydrophobicContact CD1-CD2 3.98Å
153	R	98.5	Very high	98.4	Very high	89 Å²	89	47 Å²	47	34%	0.336	23%	0.228	S	C	.	.	H	α-helix	trans	-57.1	-46.6	177.9	-168.8	-166.1	168	-162.3	-9.3	111.1	D124 G151 R157	D124-R153 WeakPolarHBondContact O-CD 3.26Å; D124-R153 VanDerWaalsContact O-CZ 3.25Å; D124-R153 PolarHBondContact O-NE 3.14Å; D124-R153 PolarHBondContact O-NH1 3.25Å; G151-R153 PolarHBondContact O-N 2.97Å; R153-R157 VanDerWaalsContact CG-NH1 3.34Å; R153-R157 WeakPolarHBondContact O-CG 3.32Å; R153-R157 PolarHBondContact O-N 3.42Å
154	H	98.6	Very high	98.4	Very high	30 Å²	30	43 Å²	43	14%	0.139	23%	0.227	C	C	.	.	H	α-helix	trans	-72.9	-40.2	177.2	-170.3	83	0	0	0	112.2	G150 G151 L152 L156 R157 Q158 L242	G150-H154 VanDerWaalsContact O-CB 3.29Å; G150-H154 WeakPolarHBondContact O-CB 3.42Å; G150-H154 PolarHBondContact O-N 3.46Å; G151-H154 PolarHBondContact O-N 3.03Å; L152-H154 VanDerWaalsContact C-N 3.33Å; L152-H154 PolarHBondContact O-N 3.15Å; H154-L156 VanDerWaalsContact C-N 3.27Å; H154-L156 PolarHBondContact O-N 3.03Å; H154-R157 PolarHBondContact ND1-NH2 3.5Å; H154-R157 PolarHBondContact O-N 3.4Å; H154-R157 VanDerWaalsContact O-N 3.1Å; H154-Q158 PolarHBondContact CE1-NE2 3.05Å; H154-Q158 VanDerWaalsContact CE1-NE2 3.25Å; H154-Q158 PolarHBondContact NE2-NE2 3.35Å; H154-Q158 VanDerWaalsContact NE2-NE2 3.12Å; H154-Q158 WeakPolarHBondContact O-CG 3.43Å; H154-Q158 PolarHBondContact O-N 2.84Å; H154-Q158 VanDerWaalsContact O-N 3.08Å; H154-L242 HydrophobicContact CB-CD2 4.49Å
155	W	98.8	Very high	98.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-52.3	-45.8	175	-176.1	-83.6	0	0	0	112.4	A33 V36 V37 L40 I74 L148 G151 L152 Q158 F160 P161	A33-W155 HydrophobicContact CB-CE3 3.96Å; A33-W155 HydrophobicContact CB-CZ3 4.45Å; V36-W155 HydrophobicContact CB-CZ3 3.94Å; V36-W155 HydrophobicContact CG1-CH2 4.05Å; V36-W155 HydrophobicContact CG1-CZ3 3.72Å; V37-W155 HydrophobicContact CG2-CH2 3.47Å; V37-W155 VanDerWaalsContact CG2-CH2 3.47Å; V37-W155 HydrophobicContact CG2-CZ2 4.19Å; V37-W155 HydrophobicContact CG2-CZ3 3.81Å; L40-W155 HydrophobicContact CD1-CH2 4.28Å; I74-W155 HydrophobicContact CB-CZ2 4.48Å; I74-W155 HydrophobicContact CD1-CD2 3.8Å; I74-W155 HydrophobicContact CD1-CE3 3.75Å; I74-W155 HydrophobicContact CD1-CG 4.22Å; I74-W155 HydrophobicContact CD1-CZ3 4.2Å; I74-W155 HydrophobicContact CG1-CD2 3.89Å; I74-W155 HydrophobicContact CG1-CE3 4.3Å; I74-W155 HydrophobicContact CG1-CG 4.18Å; I74-W155 HydrophobicContact CG1-CZ2 4.35Å; I74-W155 HydrophobicContact CG2-CH2 3.68Å; I74-W155 HydrophobicContact CG2-CZ2 3.65Å; I74-W155 HydrophobicContact CG2-CZ3 4.17Å; L148-W155 HydrophobicContact CD2-CE3 4.16Å; G151-W155 PolarHBondContact O-N 3.46Å; L152-W155 HydrophobicContact CD1-CB 4.27Å; L152-W155 HydrophobicContact CD1-CG 4.32Å; L152-W155 WeakPolarHBondContact O-CB 3.33Å; L152-W155 PolarHBondContact O-N 3.31Å; W155-Q158 PolarHBondContact O-N 3.45Å; W155-F160 HydrophobicContact CD2-CB 3.76Å; W155-F160 HydrophobicContact CD2-CD2 4.1Å; W155-F160 HydrophobicContact CD2-CG 4.43Å; W155-F160 HydrophobicContact CE3-CB 4.35Å; W155-F160 AromaticContact CE3-CD2 4Å; W155-F160 HydrophobicContact CE3-CD2 4Å; W155-F160 HydrophobicContact CG-CB 4.13Å; W155-F160 HydrophobicContact CH2-CB 4.25Å; W155-F160 HydrophobicContact CZ2-CB 3.62Å; W155-F160 HydrophobicContact CZ2-CG 4.5Å; W155-F160 HydrophobicContact CZ3-CD2 4.28Å; W155-F160 PolarHBondContact NE1-O 3.2Å; W155-F160 PolarHBondContact O-N 3.32Å; W155-P161 WeakPolarHBondContact CZ2-O 3.23Å; W155-P161 PolarHBondContact NE1-O 3.06Å
156	L	98.3	Very high	97.6	Very high	64 Å²	64	49.5 Å²	49.5	34%	0.335	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-43.2	176.7	-70.3	171.6	0	0	0	112.4	L152 H154 Q158 N159 L162	L152-L156 HydrophobicContact CG-CD1 4.21Å; L152-L156 HydrophobicContact CG-CG 4.24Å; L152-L156 WeakPolarHBondContact O-CB 3.1Å; L152-L156 VanDerWaalsContact O-CG 3.27Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 2.89Å; H154-L156 VanDerWaalsContact C-N 3.27Å; H154-L156 PolarHBondContact O-N 3.03Å; L156-Q158 PolarHBondContact O-N 3.17Å; L156-N159 PolarHBondContact O-N 3.08Å; L156-L162 HydrophobicContact CD2-CD1 3.45Å; L156-L162 VanDerWaalsContact CD2-CD1 3.45Å; L156-L162 HydrophobicContact CD2-CD2 4.1Å; L156-L162 HydrophobicContact CD2-CG 4.25Å
157	R	97.8	Very high	97	Very high	100 Å²	100	51.4 Å²	51.4	38%	0.377	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-30.1	178.3	-71.3	-166.8	-53	-99.3	10.5	113	R153 H154 N159 E240	R153-R157 VanDerWaalsContact CG-NH1 3.34Å; R153-R157 WeakPolarHBondContact O-CG 3.32Å; R153-R157 PolarHBondContact O-N 3.42Å; H154-R157 PolarHBondContact ND1-NH2 3.5Å; H154-R157 PolarHBondContact O-N 3.4Å; H154-R157 VanDerWaalsContact O-N 3.1Å; R157-N159 PolarHBondContact O-N 3.46Å; R157-E240 PolarHBondContact NH1-O 2.88Å; R157-E240 VanDerWaalsContact NH1-O 3.13Å; R157-E240 PolarHBondContact NH2-O 3.17Å
158	Q	98.2	Very high	96.3	Very high	90 Å²	90	60.1 Å²	60.1	42%	0.421	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.4	175.2	-62.1	-58	-31.9	0	0	113.2	H154 W155 L156 F160	H154-Q158 PolarHBondContact CE1-NE2 3.05Å; H154-Q158 VanDerWaalsContact CE1-NE2 3.25Å; H154-Q158 PolarHBondContact NE2-NE2 3.35Å; H154-Q158 VanDerWaalsContact NE2-NE2 3.12Å; H154-Q158 WeakPolarHBondContact O-CG 3.43Å; H154-Q158 PolarHBondContact O-N 2.84Å; H154-Q158 VanDerWaalsContact O-N 3.08Å; W155-Q158 PolarHBondContact O-N 3.45Å; L156-Q158 PolarHBondContact O-N 3.17Å; Q158-F160 HydrophobicContact CB-CD1 4.35Å; Q158-F160 HydrophobicContact CB-CD2 3.5Å; Q158-F160 HydrophobicContact CB-CE1 4.28Å; Q158-F160 HydrophobicContact CB-CE2 3.41Å; Q158-F160 VanDerWaalsContact CB-CE2 3.41Å; Q158-F160 HydrophobicContact CB-CG 3.98Å; Q158-F160 HydrophobicContact CB-CZ 3.84Å; Q158-F160 HydrophobicContact CG-CD2 4.25Å; Q158-F160 HydrophobicContact CG-CE2 3.82Å; Q158-F160 HydrophobicContact CG-CZ 4.35Å; Q158-F160 PolarHBondContact O-N 3.36Å
159	N	98.1	Very high	96	Very high	148 Å²	148	61.9 Å²	61.9	79%	0.791	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	34.8	-175.2	-56.4	-68.3	0	0	0	112.9	L156 R157	L156-N159 PolarHBondContact O-N 3.08Å; R157-N159 PolarHBondContact O-N 3.46Å
160	F	98.4	Very high	95.7	Very high	38 Å²	38	64.1 Å²	64.1	17%	0.167	34%	0.343	C	S	.	.			trans	-76.1	154.9	176.8	-70	-37.7	0	0	0	112.2	A33 V37 W155 Q158	A33-F160 HydrophobicContact CB-CD2 3.88Å; A33-F160 HydrophobicContact CB-CE2 3.57Å; V37-F160 HydrophobicContact CG2-CB 4.24Å; V37-F160 HydrophobicContact CG2-CD1 3.77Å; V37-F160 HydrophobicContact CG2-CD2 3.85Å; V37-F160 HydrophobicContact CG2-CE1 4.01Å; V37-F160 HydrophobicContact CG2-CE2 4.08Å; V37-F160 HydrophobicContact CG2-CG 3.7Å; V37-F160 HydrophobicContact CG2-CZ 4.16Å; W155-F160 HydrophobicContact CD2-CB 3.76Å; W155-F160 HydrophobicContact CD2-CD2 4.1Å; W155-F160 HydrophobicContact CD2-CG 4.43Å; W155-F160 HydrophobicContact CE3-CB 4.35Å; W155-F160 AromaticContact CE3-CD2 4Å; W155-F160 HydrophobicContact CE3-CD2 4Å; W155-F160 HydrophobicContact CG-CB 4.13Å; W155-F160 HydrophobicContact CH2-CB 4.25Å; W155-F160 HydrophobicContact CZ2-CB 3.62Å; W155-F160 HydrophobicContact CZ2-CG 4.5Å; W155-F160 HydrophobicContact CZ3-CD2 4.28Å; W155-F160 PolarHBondContact NE1-O 3.2Å; W155-F160 PolarHBondContact O-N 3.32Å; Q158-F160 HydrophobicContact CB-CD1 4.35Å; Q158-F160 HydrophobicContact CB-CD2 3.5Å; Q158-F160 HydrophobicContact CB-CE1 4.28Å; Q158-F160 HydrophobicContact CB-CE2 3.41Å; Q158-F160 VanDerWaalsContact CB-CE2 3.41Å; Q158-F160 HydrophobicContact CB-CG 3.98Å; Q158-F160 HydrophobicContact CB-CZ 3.84Å; Q158-F160 HydrophobicContact CG-CD2 4.25Å; Q158-F160 HydrophobicContact CG-CE2 3.82Å; Q158-F160 HydrophobicContact CG-CZ 4.35Å; Q158-F160 PolarHBondContact O-N 3.36Å
161	P	98	Very high	95.6	Very high	75 Å²	75	69.1 Å²	69.1	49%	0.487	38%	0.375	S	S	.	.			trans	-58.7	147.2	-174.6	-24.9	35	0	0	0	113.2	P75 W155	P75-P161 VanDerWaalsContact CD-O 3.24Å; P75-P161 WeakPolarHBondContact CD-O 3.3Å; P75-P161 HydrophobicContact CG-CB 4.21Å; W155-P161 WeakPolarHBondContact CZ2-O 3.23Å; W155-P161 PolarHBondContact NE1-O 3.06Å
162	L	98.3	Very high	95.5	Very high	63 Å²	63	70.9 Å²	70.9	33%	0.33	39%	0.39	S	S	.	.			trans	-122.4	160.4	173.6	-62.4	168.7	0	0	0	109.8	R72 H73 L152 L156	R72-L162 HydrophobicContact CB-CD1 4.25Å; R72-L162 HydrophobicContact CG-CD1 4.28Å; H73-L162 CarbonylContact O-C 3.59Å; H73-L162 WeakPolarHBondContact O-CA 3.21Å; L152-L162 HydrophobicContact CD1-CD2 3.98Å; L156-L162 HydrophobicContact CD2-CD1 3.45Å; L156-L162 VanDerWaalsContact CD2-CD1 3.45Å; L156-L162 HydrophobicContact CD2-CD2 4.1Å; L156-L162 HydrophobicContact CD2-CG 4.25Å
163	S	97.9	Very high	95.4	Very high	45 Å²	45	76.3 Å²	76.3	32%	0.315	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-123.9	166.7	167.9	-66.6	0	0	0	0	109.7	R72 H73 P75	R72-S163 CarbonylContact C-O 3.59Å; R72-S163 WeakPolarHBondContact CA-O 3.45Å; H73-S163 PolarHBondContact N-O 3.23Å; H73-S163 PolarHBondContact ND1-O 3.4Å; H73-S163 PolarHBondContact O-N 3.48Å; P75-S163 WeakPolarHBondContact CA-OG 3.26Å; P75-S163 WeakPolarHBondContact CB-OG 3.36Å
164	S	97.5	Very high	95.4	Very high	89 Å²	89	73 Å²	73	62%	0.622	40%	0.403	S	S	*	.			trans	-139.4	167.4	177.2	64.3	0	0	0	0	109.8	E71	E71-S164 WeakPolarHBondContact O-CB 3.45Å
165	G	94.4	Very high	95.3	Very high	32 Å²	32	81.1 Å²	81.1	33%	0.33	43%	0.432	S	S	.	.	S	Bend	trans	91.5	-177.9	-174.5	0	0	0	0	0	113.4	E70 H73	E70-G165 PolarHBondContact O-N 3.46Å; H73-G165 PolarHBondContact CE1-O 3Å
166	K	85.8	Confident	95.3	Very high	125 Å²	125	82.1 Å²	82.1	54%	0.543	44%	0.441	S	S	.	.			trans	-84.1	142.2	178.6	-63.6	-178.4	179.6	-178.1	0	110.2	E70 Y168	E70-K166 HydrophobicContact CG-CG 4.06Å; E70-K166 WeakPolarHBondContact OE1-CE 3.43Å; E70-K166 WeakPolarHBondContact OE2-CE 3.45Å; K166-Y168 HydrophobicContact CB-CD2 4.35Å; K166-Y168 HydrophobicContact CB-CE2 3.52Å; K166-Y168 HydrophobicContact CD-CE2 4.47Å; K166-Y168 WeakPolarHBondContact CD-OH 3.42Å
167	S	85.1	Confident	95.3	Very high	40 Å²	40	86.5 Å²	86.5	28%	0.28	46%	0.46	S	S	.	.			trans	-109.8	128.9	177.1	-170.5	0	0	0	0	110.1	A77 V78	A77-S167 WeakPolarHBondContact O-CB 3Å; A77-S167 PolarHBondContact O-OG 3.22Å; V78-S167 VanDerWaalsContact CG1-OG 3.31Å; V78-S167 WeakPolarHBondContact CG1-OG 3.23Å
168	Y	85.1	Confident	95.3	Very high	184 Å²	184	84.7 Å²	84.7	72%	0.722	46%	0.458	S	S	*	.			trans	-128.2	88.5	-178	-59.4	-78.2	0	0	0	109.1	K166	K166-Y168 HydrophobicContact CB-CD2 4.35Å; K166-Y168 HydrophobicContact CB-CE2 3.52Å; K166-Y168 HydrophobicContact CD-CE2 4.47Å; K166-Y168 WeakPolarHBondContact CD-OH 3.42Å
169	P	91.7	Very high	95.3	Very high	36 Å²	36	83.4 Å²	83.4	23%	0.234	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-69.6	156.4	178.8	33.4	-36.8	0	0	0	110	V78 L109	V78-P169 HydrophobicContact CG1-CB 4.24Å; V78-P169 HydrophobicContact CG1-CG 3.78Å; L109-P169 WeakPolarHBondContact O-CG 3.46Å
170	A	93.6	Very high	95.3	Very high	85 Å²	85	81 Å²	81	70%	0.702	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-64.4	130.3	166.8	0	0	0	0	0	108.9	G110	G110-A170 VanDerWaalsContact CA-O 3.31Å; G110-A170 WeakPolarHBondContact CA-O 3.35Å
171	P	96.3	Very high	95.3	Very high	104 Å²	104	82.4 Å²	82.4	68%	0.675	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-59.4	149	176.6	-23.9	33.6	0	0	0	112.1	G107	G107-P171 CarbonylContact O-C 3.52Å; G107-P171 WeakPolarHBondContact O-CA 3.43Å
172	A	97	Very high	95.3	Very high	38 Å²	38	80.1 Å²	80.1	31%	0.314	45%	0.447	S	S	.	.			trans	-127.1	156.9	175.9	0	0	0	0	0	111	G107 F174	G107-A172 CarbonylContact C-O 3.56Å; G107-A172 WeakPolarHBondContact CA-O 3.34Å; G107-A172 PolarHBondContact O-N 2.82Å; A172-F174 PolarHBondContact O-N 3.29Å
173	E	96.9	Very high	95.3	Very high	126 Å²	126	78.7 Å²	78.7	59%	0.589	44%	0.439	S	S	*	.			trans	-72.9	124.9	168	-173.1	-172.8	159.1	0	0	108.8	G112 P113 R175	G112-E173 WeakPolarHBondContact CA-O 3.15Å; P113-E173 VanDerWaalsContact CD-O 3.23Å; P113-E173 WeakPolarHBondContact CD-O 3.45Å; E173-R175 IonicContact OE1-CZ 3.6Å; E173-R175 IonicContact OE1-NE 3.17Å; E173-R175 PolarHBondContact OE1-NE 3.19Å; E173-R175 IonicContact OE1-NH2 3.36Å; E173-R175 PolarHBondContact OE1-NH2 3.44Å
174	F	98.1	Very high	95.4	Very high	18 Å²	18	78.8 Å²	78.8	8%	0.079	43%	0.434	C	S	.	.			trans	-123.1	141.2	172	-168.5	-89.5	0	0	0	109.5	F102 A103 A106 V111 F137 H142 A172 A176	F102-F174 AromaticContact CD1-CE1 3.9Å; F102-F174 HydrophobicContact CD1-CE1 3.9Å; F102-F174 AromaticContact CE1-CE1 3.7Å; F102-F174 HydrophobicContact CE1-CE1 3.7Å; F102-F174 AromaticContact CE1-CZ 3.94Å; F102-F174 HydrophobicContact CE1-CZ 3.94Å; A103-F174 HydrophobicContact CB-CD1 4.04Å; A106-F174 HydrophobicContact CB-CB 4.5Å; A106-F174 HydrophobicContact CB-CD1 4.11Å; A106-F174 HydrophobicContact CB-CD2 4.22Å; A106-F174 HydrophobicContact CB-CE1 4.34Å; A106-F174 HydrophobicContact CB-CE2 4.46Å; A106-F174 HydrophobicContact CB-CG 4.01Å; A106-F174 HydrophobicContact CB-CZ 4.49Å; V111-F174 HydrophobicContact CB-CD2 4.16Å; V111-F174 HydrophobicContact CB-CE2 4.46Å; V111-F174 HydrophobicContact CG1-CD2 3.72Å; V111-F174 HydrophobicContact CG1-CE2 3.63Å; V111-F174 WeakPolarHBondContact O-CB 3.41Å; V111-F174 WeakPolarHBondContact O-CD2 3.04Å; F137-F174 HydrophobicContact CD1-CE2 4.33Å; F137-F174 HydrophobicContact CD1-CZ 4Å; F137-F174 HydrophobicContact CE1-CE2 4.1Å; F137-F174 HydrophobicContact CE1-CZ 4.04Å; H142-F174 HydrophobicContact CB-CE2 4.17Å; H142-F174 HydrophobicContact CB-CZ 3.77Å; H142-F174 AromaticContact CG-CE2 3.94Å; H142-F174 AromaticContact ND1-CE2 3.67Å; A172-F174 PolarHBondContact O-N 3.29Å; F174-A176 HydrophobicContact CD1-CB 4.32Å; F174-A176 HydrophobicContact CE1-CB 4.02Å
175	R	96.5	Very high	95.4	Very high	201 Å²	201	77.4 Å²	77.4	76%	0.758	42%	0.422	S	S	*	.			trans	-118	126.3	174.5	-63.7	-175.7	-176.4	-158.2	-0.2	108.8	E173	E173-R175 IonicContact OE1-CZ 3.6Å; E173-R175 IonicContact OE1-NE 3.17Å; E173-R175 PolarHBondContact OE1-NE 3.19Å; E173-R175 IonicContact OE1-NH2 3.36Å; E173-R175 PolarHBondContact OE1-NH2 3.44Å
176	A	98.3	Very high	95.6	Very high	24 Å²	24	76.8 Å²	76.8	20%	0.198	41%	0.41	C	S	.	.			trans	-115.6	137.5	177.9	0	0	0	0	0	109.8	A99 F102 A103 F140 F174	A99-A176 HydrophobicContact CB-CB 4.11Å; A99-A176 VanDerWaalsContact O-CB 3.26Å; A99-A176 WeakPolarHBondContact O-CB 3.33Å; F102-A176 HydrophobicContact CD1-CB 4.04Å; A103-A176 HydrophobicContact CB-CB 3.83Å; F140-A176 HydrophobicContact CB-CB 3.97Å; F140-A176 HydrophobicContact CD1-CB 4.1Å; F140-A176 HydrophobicContact CG-CB 4.23Å; F174-A176 HydrophobicContact CD1-CB 4.32Å; F174-A176 HydrophobicContact CE1-CB 4.02Å
177	Q	98.3	Very high	96.2	Very high	155 Å²	155	75.3 Å²	75.3	72%	0.724	41%	0.405	S	S	*	.			trans	-136.3	119	167.1	-177.8	177.1	12.5	0	0	107.9	F140 D179	F140-Q177 CarbonylContact C-O 3.09Å; F140-Q177 VanDerWaalsContact CA-O 3.25Å; F140-Q177 WeakPolarHBondContact CA-O 3.36Å; F140-Q177 PolarHBondContact O-N 3.1Å; Q177-D179 PolarHBondContact O-N 3.47Å
178	L	98.4	Very high	96.9	Very high	63 Å²	63	76 Å²	76	33%	0.33	40%	0.404	S	S	.	.			trans	-69.6	123.3	177.7	179.7	60.3	0	0	0	110	L96 A139 F140 P180 I183	L96-L178 HydrophobicContact CD1-CD1 4.11Å; A139-L178 HydrophobicContact CB-CD1 4.11Å; A139-L178 CarbonylContact O-C 3.57Å; A139-L178 WeakPolarHBondContact O-CA 3.3Å; F140-L178 HydrophobicContact CD1-CB 4.01Å; F140-L178 HydrophobicContact CD1-CD1 4.31Å; F140-L178 HydrophobicContact CE1-CB 3.88Å; F140-L178 HydrophobicContact CE1-CD1 4.08Å; F140-L178 HydrophobicContact CE1-CG 4.44Å; L178-P180 WeakPolarHBondContact O-CD 3.45Å; L178-I183 HydrophobicContact CD1-CD1 3.87Å; L178-I183 HydrophobicContact CD2-CD1 3.73Å; L178-I183 HydrophobicContact CG-CD1 4.25Å
179	D	98.3	Very high	97.5	Very high	62 Å²	62	67.3 Å²	67.3	33%	0.332	37%	0.37	S	S	.	.			trans	-87.1	109.7	164.6	-177.6	-8.1	0	0	0	108.9	A139 Q177 A181 F182	A139-D179 PolarHBondContact O-N 3.31Å; Q177-D179 PolarHBondContact O-N 3.47Å; D179-A181 PolarHBondContact O-N 3.31Å; D179-A181 VanDerWaalsContact O-N 3.1Å; D179-A181 WeakPolarHBondContact OD1-CB 3.47Å; D179-A181 PolarHBondContact OD1-N 2.97Å; D179-F182 HydrophobicContact CB-CD2 3.69Å; D179-F182 HydrophobicContact CB-CE2 4.01Å; D179-F182 WeakPolarHBondContact O-CB 3.49Å; D179-F182 PolarHBondContact O-N 3.18Å; D179-F182 VanDerWaalsContact O-N 3.11Å; D179-F182 WeakPolarHBondContact OD2-CE2 3.36Å
180	P	97.6	Very high	97.8	Very high	99 Å²	99	71.3 Å²	71.3	64%	0.643	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63.8	-17.3	-177.9	27.9	-35.1	0	0	0	112.8	L178 F182 I183	L178-P180 WeakPolarHBondContact O-CD 3.45Å; P180-F182 PolarHBondContact O-N 2.97Å; P180-F182 VanDerWaalsContact O-N 3.14Å; P180-I183 PolarHBondContact O-N 2.91Å; P180-I183 VanDerWaalsContact O-N 3.13Å
181	A	98	Very high	98.1	Very high	67 Å²	67	71.6 Å²	71.6	55%	0.554	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.6	-12.5	175.5	0	0	0	0	0	113.3	D179 P290	D179-A181 PolarHBondContact O-N 3.31Å; D179-A181 VanDerWaalsContact O-N 3.1Å; D179-A181 WeakPolarHBondContact OD1-CB 3.47Å; D179-A181 PolarHBondContact OD1-N 2.97Å; A181-P290 WeakPolarHBondContact O-CB 3.32Å
182	F	98.6	Very high	98.2	Very high	26 Å²	26	67.3 Å²	67.3	11%	0.114	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-82.8	-11.7	175.4	-79.8	-108.2	0	0	0	113.5	W135 R138 A139 D179 P180 P290 I291	W135-F182 AromaticContact CD1-CD1 3.87Å; W135-F182 HydrophobicContact CZ2-CB 4.2Å; W135-F182 VanDerWaalsContact CZ2-O 3.28Å; W135-F182 WeakPolarHBondContact CZ2-O 3.34Å; W135-F182 AromaticContact NE1-CD1 3.56Å; W135-F182 PolarHBondContact NE1-O 2.76Å; R138-F182 HydrophobicContact CB-CD1 4.42Å; R138-F182 HydrophobicContact CB-CE1 3.55Å; R138-F182 HydrophobicContact CB-CZ 4.04Å; A139-F182 HydrophobicContact CB-CB 3.72Å; A139-F182 HydrophobicContact CB-CD1 3.86Å; A139-F182 HydrophobicContact CB-CG 3.82Å; D179-F182 HydrophobicContact CB-CD2 3.69Å; D179-F182 HydrophobicContact CB-CE2 4.01Å; D179-F182 WeakPolarHBondContact O-CB 3.49Å; D179-F182 PolarHBondContact O-N 3.18Å; D179-F182 VanDerWaalsContact O-N 3.11Å; D179-F182 WeakPolarHBondContact OD2-CE2 3.36Å; P180-F182 PolarHBondContact O-N 2.97Å; P180-F182 VanDerWaalsContact O-N 3.14Å; F182-P290 CarbonylContact O-C 3.52Å; F182-P290 WeakPolarHBondContact O-CA 3.47Å; F182-P290 WeakPolarHBondContact O-CB 3.37Å; F182-I291 PolarHBondContact O-N 3.02Å
183	I	98.4	Very high	98.2	Very high	33 Å²	33	67 Å²	67	17%	0.169	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.9	-173	-53.9	162.3	0	0	0	110.2	L96 W135 L178 P180 I291 D293	L96-I183 HydrophobicContact CD1-CD1 3.34Å; L96-I183 HydrophobicContact CD1-CG1 3.71Å; W135-I183 HydrophobicContact CH2-CG1 4.26Å; W135-I183 HydrophobicContact CZ2-CG1 4.08Å; L178-I183 HydrophobicContact CD1-CD1 3.87Å; L178-I183 HydrophobicContact CD2-CD1 3.73Å; L178-I183 HydrophobicContact CG-CD1 4.25Å; P180-I183 PolarHBondContact O-N 2.91Å; P180-I183 VanDerWaalsContact O-N 3.13Å; I183-I291 CarbonylContact C-O 3.54Å; I183-I291 WeakPolarHBondContact CA-O 3.3Å; I183-D293 HydrophobicContact CG2-CB 4.07Å
184	K	98.7	Very high	98.3	Very high	48 Å²	48	68.9 Å²	68.9	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.4	157.8	-70.5	-55.9	-174.9	-166	0	110.7	E188 I189 V265 P290 I291 Y292	K184-E188 HydrophobicContact CD-CB 4.22Å; K184-E188 VanDerWaalsContact CD-OE1 3.23Å; K184-E188 WeakPolarHBondContact CD-OE1 3.18Å; K184-E188 IonicContact NZ-OE1 3.75Å; K184-E188 PolarHBondContact NZ-OE1 2.91Å; K184-I189 HydrophobicContact CB-CD1 4.01Å; K184-I189 HydrophobicContact CB-CG1 4.43Å; K184-V265 HydrophobicContact CB-CG1 4.05Å; K184-V265 HydrophobicContact CG-CB 4.39Å; K184-V265 HydrophobicContact CG-CG1 3.71Å; K184-V265 HydrophobicContact CG-CG2 3.73Å; K184-P290 HydrophobicContact CD-CG 4.45Å; K184-P290 HydrophobicContact CG-CB 4.07Å; K184-P290 HydrophobicContact CG-CG 3.9Å; K184-I291 PolarHBondContact N-O 3.4Å; K184-Y292 WeakPolarHBondContact O-CD2 3.46Å
185	T	98.7	Very high	98.3	Very high	59 Å²	59	70.1 Å²	70.1	36%	0.362	35%	0.351	S	S	.	.			trans	-94	161.6	176.4	58.4	0	0	0	0	111.4	E187 E188 I189	T185-E187 PolarHBondContact O-N 3.22Å; T185-E188 PolarHBondContact N-OE2 3.18Å; T185-E188 PolarHBondContact O-N 2.83Å; T185-E188 WeakPolarHBondContact OG1-CG 3.45Å; T185-E188 PolarHBondContact OG1-N 3.12Å; T185-E188 PolarHBondContact OG1-OE2 3.07Å; T185-I189 WeakPolarHBondContact O-CG1 3.25Å; T185-I189 PolarHBondContact O-N 2.8Å; T185-I189 VanDerWaalsContact O-N 3.08Å
186	Y	98.8	Very high	98.3	Very high	20 Å²	20	70.6 Å²	70.6	8%	0.078	35%	0.353	C	S	.	.	H	α-helix	trans	-51.3	-44.6	171.6	166.7	-93.1	0	0	0	112	E188 I189 R190 W299 R302	Y186-E188 VanDerWaalsContact C-N 3.33Å; Y186-E188 PolarHBondContact O-N 2.86Å; Y186-I189 PolarHBondContact O-N 3.43Å; Y186-R190 WeakPolarHBondContact O-CB 3.32Å; Y186-R190 PolarHBondContact O-N 3.39Å; Y186-W299 AromaticContact CD2-CE3 3.83Å; Y186-W299 HydrophobicContact CD2-CE3 3.83Å; Y186-W299 HydrophobicContact CD2-CZ3 4.14Å; Y186-W299 AromaticContact CE2-CE3 3.81Å; Y186-W299 HydrophobicContact CE2-CE3 3.81Å; Y186-W299 AromaticContact CE2-CZ3 3.95Å; Y186-W299 HydrophobicContact CE2-CZ3 3.95Å; Y186-R302 VanDerWaalsContact CD1-NH2 3.31Å; Y186-R302 HydrophobicContact CD2-CB 3.98Å; Y186-R302 HydrophobicContact CE1-CB 4.43Å; Y186-R302 HydrophobicContact CE2-CB 3.56Å; Y186-R302 PolarHBondContact OH-O 3.15Å
187	E	98.6	Very high	98.3	Very high	94 Å²	94	75.5 Å²	75.5	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-43.4	-178.7	-70.6	70.4	-154.1	0	0	111.6	T185 R190 E191 R302	T185-E187 PolarHBondContact O-N 3.22Å; E187-R190 PolarHBondContact O-N 2.93Å; E187-E191 WeakPolarHBondContact O-CB 3.49Å; E187-E191 PolarHBondContact O-N 3.03Å; E187-R302 IonicContact OE1-CZ 2.86Å; E187-R302 IonicContact OE1-NH1 2.71Å; E187-R302 PolarHBondContact OE1-NH1 2.81Å; E187-R302 IonicContact OE1-NH2 3.27Å; E187-R302 PolarHBondContact OE1-NH2 2.93Å
188	E	98.6	Very high	98.3	Very high	55 Å²	55	69.2 Å²	69.2	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-68	-39.1	177.7	-70.9	171.3	98.1	0	0	112.3	K184 T185 Y186 N192	K184-E188 HydrophobicContact CD-CB 4.22Å; K184-E188 VanDerWaalsContact CD-OE1 3.23Å; K184-E188 WeakPolarHBondContact CD-OE1 3.18Å; K184-E188 IonicContact NZ-OE1 3.75Å; K184-E188 PolarHBondContact NZ-OE1 2.91Å; T185-E188 PolarHBondContact N-OE2 3.18Å; T185-E188 PolarHBondContact O-N 2.83Å; T185-E188 WeakPolarHBondContact OG1-CG 3.45Å; T185-E188 PolarHBondContact OG1-N 3.12Å; T185-E188 PolarHBondContact OG1-OE2 3.07Å; Y186-E188 VanDerWaalsContact C-N 3.33Å; Y186-E188 PolarHBondContact O-N 2.86Å; E188-N192 WeakPolarHBondContact O-CB 3.25Å; E188-N192 PolarHBondContact O-N 2.88Å
189	I	98.7	Very high	98.4	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-44.1	175.5	-61.4	-58.3	0	0	0	110.6	K184 T185 Y186 N192 L193 F198 I225 V265 Y292 W299	K184-I189 HydrophobicContact CB-CD1 4.01Å; K184-I189 HydrophobicContact CB-CG1 4.43Å; T185-I189 WeakPolarHBondContact O-CG1 3.25Å; T185-I189 PolarHBondContact O-N 2.8Å; T185-I189 VanDerWaalsContact O-N 3.08Å; Y186-I189 PolarHBondContact O-N 3.43Å; I189-N192 WeakPolarHBondContact O-CB 3.39Å; I189-N192 PolarHBondContact O-N 3.23Å; I189-N192 VanDerWaalsContact O-N 3.15Å; I189-L193 PolarHBondContact O-N 3.42Å; I189-F198 HydrophobicContact CD1-CE2 3.75Å; I189-F198 HydrophobicContact CD1-CZ 3.95Å; I189-I225 HydrophobicContact CG2-CD1 4.03Å; I189-I225 HydrophobicContact CG2-CG2 4.14Å; I189-V265 HydrophobicContact CD1-CG1 4.05Å; I189-Y292 HydrophobicContact CD1-CD1 4.4Å; I189-Y292 HydrophobicContact CD1-CG 4.13Å; I189-Y292 HydrophobicContact CG1-CD1 3.79Å; I189-Y292 HydrophobicContact CG1-CD2 3.84Å; I189-Y292 HydrophobicContact CG1-CE1 4.2Å; I189-Y292 HydrophobicContact CG1-CE2 4.23Å; I189-Y292 HydrophobicContact CG1-CG 3.62Å; I189-W299 HydrophobicContact CB-CZ3 4.14Å; I189-W299 HydrophobicContact CG2-CE3 4.01Å; I189-W299 HydrophobicContact CG2-CH2 4.21Å; I189-W299 HydrophobicContact CG2-CZ3 3.59Å
190	R	98.4	Very high	98.4	Very high	120 Å²	120	65.7 Å²	65.7	45%	0.453	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-45	177.6	-167.7	-164.7	76.3	99.1	1.9	111.6	Y186 E187 N192 L193 W299	Y186-R190 WeakPolarHBondContact O-CB 3.32Å; Y186-R190 PolarHBondContact O-N 3.39Å; E187-R190 PolarHBondContact O-N 2.93Å; R190-N192 PolarHBondContact O-N 3.19Å; R190-L193 WeakPolarHBondContact O-CB 3.44Å; R190-L193 WeakPolarHBondContact O-CG 3.26Å; R190-L193 PolarHBondContact O-N 3.21Å; R190-W299 HydrophobicContact CB-CH2 4.48Å; R190-W299 HydrophobicContact CB-CZ3 4.3Å
191	E	98.4	Very high	98.5	Very high	91 Å²	91	61 Å²	61	43%	0.425	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-30.5	176.3	-162.5	-160.2	155.8	0	0	112.3	E187 L193 E194 S195 R197	E187-E191 WeakPolarHBondContact O-CB 3.49Å; E187-E191 PolarHBondContact O-N 3.03Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 2.84Å; E191-E194 PolarHBondContact O-N 3.49Å; E191-S195 PolarHBondContact O-N 2.83Å; E191-S195 PolarHBondContact O-OG 2.9Å; E191-R197 IonicContact OE1-CZ 3.49Å; E191-R197 VanDerWaalsContact OE1-CZ 3.27Å; E191-R197 IonicContact OE1-NH1 2.87Å; E191-R197 PolarHBondContact OE1-NH1 3.2Å; E191-R197 IonicContact OE1-NH2 2.83Å; E191-R197 PolarHBondContact OE1-NH2 2.8Å; E191-R197 IonicContact OE2-CZ 3.6Å; E191-R197 IonicContact OE2-NH2 3.21Å; E191-R197 PolarHBondContact OE2-NH2 2.63Å
192	N	98.6	Very high	98.5	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-71.9	-17.5	178.5	-168	69.6	0	0	0	114.1	E188 I189 R190 E194 S195 R196 R197 F198	E188-N192 WeakPolarHBondContact O-CB 3.25Å; E188-N192 PolarHBondContact O-N 2.88Å; I189-N192 WeakPolarHBondContact O-CB 3.39Å; I189-N192 PolarHBondContact O-N 3.23Å; I189-N192 VanDerWaalsContact O-N 3.15Å; R190-N192 PolarHBondContact O-N 3.19Å; N192-E194 PolarHBondContact O-N 3.36Å; N192-S195 WeakPolarHBondContact CA-OG 3.29Å; N192-R196 WeakPolarHBondContact O-CA 3.26Å; N192-R196 PolarHBondContact O-N 3.45Å; N192-R197 PolarHBondContact OD1-N 2.94Å; N192-F198 HydrophobicContact CB-CD1 4.3Å; N192-F198 HydrophobicContact CB-CD2 4.19Å; N192-F198 HydrophobicContact CB-CE1 3.63Å; N192-F198 HydrophobicContact CB-CE2 3.49Å; N192-F198 VanDerWaalsContact CB-CE2 3.49Å; N192-F198 HydrophobicContact CB-CZ 3.19Å; N192-F198 VanDerWaalsContact CG-CD2 3.43Å; N192-F198 WeakPolarHBondContact ND2-CD2 2.86Å; N192-F198 WeakPolarHBondContact ND2-CE2 3.38Å; N192-F198 PolarHBondContact ND2-O 2.85Å; N192-F198 WeakPolarHBondContact OD1-CD1 3.32Å; N192-F198 WeakPolarHBondContact OD1-CG 3.27Å; N192-F198 PolarHBondContact OD1-N 2.64Å
193	L	98	Very high	98.5	Very high	32 Å²	32	56.6 Å²	56.6	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-41.5	171.7	-61.4	-172.3	0	0	0	111.5	I189 R190 E191 I225 P226 W299 D307	I189-L193 PolarHBondContact O-N 3.42Å; R190-L193 WeakPolarHBondContact O-CB 3.44Å; R190-L193 WeakPolarHBondContact O-CG 3.26Å; R190-L193 PolarHBondContact O-N 3.21Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 2.84Å; L193-I225 HydrophobicContact CD2-CG2 3.85Å; L193-P226 HydrophobicContact CD2-CB 4.22Å; L193-P226 HydrophobicContact CD2-CG 4.39Å; L193-W299 HydrophobicContact CD1-CH2 3.79Å; L193-W299 HydrophobicContact CD1-CZ2 4.07Å; L193-W299 HydrophobicContact CD2-CH2 4.31Å; L193-W299 HydrophobicContact CG-CH2 4.21Å; L193-D307 HydrophobicContact CD1-CB 4.5Å
194	E	97.6	Very high	98.5	Very high	165 Å²	165	55.1 Å²	55.1	77%	0.771	25%	0.247	S	C	*	.	H	α-helix	trans	-86.8	-49.3	178.7	-59.6	-57.6	155.2	0	0	111.5	E191 N192	E191-E194 PolarHBondContact O-N 3.49Å; N192-E194 PolarHBondContact O-N 3.36Å
195	S	98	Very high	98.5	Very high	44 Å²	44	54.7 Å²	54.7	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-78.4	-24.1	-169.1	65.7	0	0	0	0	114.3	E191 N192 R197	E191-S195 PolarHBondContact O-N 2.83Å; E191-S195 PolarHBondContact O-OG 2.9Å; N192-S195 WeakPolarHBondContact CA-OG 3.29Å; S195-R197 PolarHBondContact O-N 3.42Å; S195-R197 PolarHBondContact OG-NH1 3.2Å
196	R	98	Very high	98.5	Very high	211 Å²	211	53.5 Å²	53.5	80%	0.796	25%	0.249	S	C	*	.			trans	47.8	36	179.2	-55.7	-177.4	-176.9	-178.6	1.6	113.8	N192 F198	N192-R196 WeakPolarHBondContact O-CA 3.26Å; N192-R196 PolarHBondContact O-N 3.45Å; R196-F198 VanDerWaalsContact C-N 3.31Å
197	R	98.3	Very high	98.4	Very high	128 Å²	128	53.2 Å²	53.2	48%	0.483	25%	0.252	S	S	.	.			trans	-72.4	-26	-178.8	-67.8	-172.7	-61.4	-107.8	4.8	112.7	E191 N192 S195	E191-R197 IonicContact OE1-CZ 3.49Å; E191-R197 VanDerWaalsContact OE1-CZ 3.27Å; E191-R197 IonicContact OE1-NH1 2.87Å; E191-R197 PolarHBondContact OE1-NH1 3.2Å; E191-R197 IonicContact OE1-NH2 2.83Å; E191-R197 PolarHBondContact OE1-NH2 2.8Å; E191-R197 IonicContact OE2-CZ 3.6Å; E191-R197 IonicContact OE2-NH2 3.21Å; E191-R197 PolarHBondContact OE2-NH2 2.63Å; N192-R197 PolarHBondContact OD1-N 2.94Å; S195-R197 PolarHBondContact O-N 3.42Å; S195-R197 PolarHBondContact OG-NH1 3.2Å
198	F	98.7	Very high	98.4	Very high	22 Å²	22	50.7 Å²	50.7	10%	0.096	24%	0.238	C	C	.	.	S	Bend	trans	-135.1	152.6	176.9	53	-102.4	0	0	0	112.2	I189 N192 R196 V200 P263 V265	I189-F198 HydrophobicContact CD1-CE2 3.75Å; I189-F198 HydrophobicContact CD1-CZ 3.95Å; N192-F198 HydrophobicContact CB-CD1 4.3Å; N192-F198 HydrophobicContact CB-CD2 4.19Å; N192-F198 HydrophobicContact CB-CE1 3.63Å; N192-F198 HydrophobicContact CB-CE2 3.49Å; N192-F198 VanDerWaalsContact CB-CE2 3.49Å; N192-F198 HydrophobicContact CB-CZ 3.19Å; N192-F198 VanDerWaalsContact CG-CD2 3.43Å; N192-F198 WeakPolarHBondContact ND2-CD2 2.86Å; N192-F198 WeakPolarHBondContact ND2-CE2 3.38Å; N192-F198 PolarHBondContact ND2-O 2.85Å; N192-F198 WeakPolarHBondContact OD1-CD1 3.32Å; N192-F198 WeakPolarHBondContact OD1-CG 3.27Å; N192-F198 PolarHBondContact OD1-N 2.64Å; R196-F198 VanDerWaalsContact C-N 3.31Å; F198-V200 HydrophobicContact CD2-CG2 3.59Å; F198-V200 HydrophobicContact CE2-CG2 3.54Å; F198-P263 HydrophobicContact CB-CB 3.66Å; F198-V265 HydrophobicContact CB-CG2 4.11Å; F198-V265 HydrophobicContact CD1-CG2 4.27Å; F198-V265 HydrophobicContact CD2-CB 4Å; F198-V265 HydrophobicContact CD2-CG2 3.24Å; F198-V265 HydrophobicContact CE2-CB 4.21Å; F198-V265 HydrophobicContact CE2-CG2 3.56Å; F198-V265 HydrophobicContact CG-CG2 3.63Å; F198-V265 HydrophobicContact CZ-CG2 4.18Å
199	Q	98.8	Very high	98.4	Very high	42 Å²	42	48.9 Å²	48.9	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	147.2	169.6	-60.1	163.8	106.7	0	0	108.9	D259 P263 L264 V265	Q199-D259 PolarHBondContact NE2-O 2.59Å; Q199-P263 PolarHBondContact N-O 3.17Å; Q199-P263 PolarHBondContact NE2-O 3.03Å; Q199-L264 HydrophobicContact CB-CD1 3.99Å; Q199-L264 CarbonylContact O-C 3.53Å; Q199-L264 WeakPolarHBondContact O-CA 3.46Å; Q199-V265 PolarHBondContact O-N 3.24Å
200	V	98.9	Very high	98.4	Very high	10 Å²	10	54.9 Å²	54.9	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.5	175.6	-177.9	0	0	0	0	108.6	F198 T228 V229 V265 T267	F198-V200 HydrophobicContact CD2-CG2 3.59Å; F198-V200 HydrophobicContact CE2-CG2 3.54Å; V200-T228 HydrophobicContact CB-CG2 3.62Å; V200-T228 HydrophobicContact CG1-CG2 3.55Å; V200-T228 HydrophobicContact CG2-CG2 4.48Å; V200-T228 WeakPolarHBondContact O-CA 3.44Å; V200-V229 PolarHBondContact O-N 2.98Å; V200-V265 WeakPolarHBondContact CA-O 3.31Å; V200-V265 HydrophobicContact CG2-CB 4.42Å; V200-T267 HydrophobicContact CG1-CG2 3.78Å
201	V	98.9	Very high	98.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.5	177.9	172.5	0	0	0	0	109.7	V229 I231 V258 L264 V265 A266 T267 V277	V201-V229 CarbonylContact C-O 3.47Å; V201-V229 VanDerWaalsContact CA-O 3.3Å; V201-V229 WeakPolarHBondContact CA-O 3.49Å; V201-V229 HydrophobicContact CG2-CB 4.41Å; V201-I231 HydrophobicContact CG1-CB 3.8Å; V201-I231 HydrophobicContact CG1-CD1 3.96Å; V201-I231 HydrophobicContact CG1-CG1 3.73Å; V201-I231 HydrophobicContact CG2-CD1 4.34Å; V201-V258 HydrophobicContact CG2-CG1 4.15Å; V201-V258 HydrophobicContact CG2-CG2 3.65Å; V201-L264 HydrophobicContact CB-CD1 4.14Å; V201-L264 HydrophobicContact CG2-CD1 3.55Å; V201-V265 PolarHBondContact N-O 2.78Å; V201-A266 CarbonylContact O-C 3.56Å; V201-A266 WeakPolarHBondContact O-CA 3.3Å; V201-T267 PolarHBondContact O-N 3.31Å; V201-V277 HydrophobicContact CB-CG1 4.03Å; V201-V277 HydrophobicContact CG1-CG1 3.9Å; V201-V277 HydrophobicContact CG1-CG2 3.75Å
202	D	98.9	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.4	174.2	-167.8	-44.7	0	0	0	110.5	R204 F209 V229 N230 I231 T267	D202-R204 VanDerWaalsContact OD1-CB 3.26Å; D202-R204 WeakPolarHBondContact OD1-CB 3.43Å; D202-R204 VanDerWaalsContact OD1-CG 3.29Å; D202-R204 WeakPolarHBondContact OD1-CG 3.46Å; D202-R204 PolarHBondContact OD1-N 3.37Å; D202-R204 IonicContact OD1-NE 3.79Å; D202-R204 PolarHBondContact OD1-NE 3.48Å; D202-R204 VanDerWaalsContact OD1-NE 3.14Å; D202-R204 IonicContact OD2-CZ 3.65Å; D202-R204 VanDerWaalsContact OD2-CZ 3.29Å; D202-R204 IonicContact OD2-NE 2.79Å; D202-R204 PolarHBondContact OD2-NE 3.08Å; D202-R204 IonicContact OD2-NH2 3.68Å; D202-R204 PolarHBondContact OD2-NH2 3.4Å; D202-F209 HydrophobicContact CB-CD2 3.66Å; D202-F209 HydrophobicContact CB-CE2 3.71Å; D202-V229 PolarHBondContact N-O 3.24Å; D202-N230 WeakPolarHBondContact O-CA 3.34Å; D202-N230 PolarHBondContact O-ND2 3.44Å; D202-I231 PolarHBondContact O-N 3.36Å; D202-T267 WeakPolarHBondContact CA-O 3.38Å; D202-T267 HydrophobicContact CB-CG2 3.81Å
203	S	98.8	Very high	98	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.261	C	S	.	.			trans	-97.8	8.7	-177	78.2	0	0	0	0	116.2	I231 P232 F233 T267 C268 T273 A274	S203-I231 VanDerWaalsContact CA-O 3.26Å; S203-I231 WeakPolarHBondContact CA-O 3.24Å; S203-P232 WeakPolarHBondContact O-CA 3.31Å; S203-F233 PolarHBondContact O-N 3.18Å; S203-T267 PolarHBondContact N-O 3.02Å; S203-C268 WeakPolarHBondContact OG-CB 3.4Å; S203-T273 PolarHBondContact OG-O 2.92Å; S203-T273 PolarHBondContact OG-OG1 2.92Å; S203-A274 WeakPolarHBondContact OG-CA 3.45Å; S203-A274 PolarHBondContact OG-N 2.9Å
204	R	98.6	Very high	97.8	Very high	1 Å²	1	59 Å²	59	0%	0.004	28%	0.283	C	S	.	.	S	Bend	trans	-65.9	161.8	172.3	-67.8	178.8	-69.1	153.5	-2.7	111.4	D202 R208 E215 G223 N230 C268 W296	D202-R204 VanDerWaalsContact OD1-CB 3.26Å; D202-R204 WeakPolarHBondContact OD1-CB 3.43Å; D202-R204 VanDerWaalsContact OD1-CG 3.29Å; D202-R204 WeakPolarHBondContact OD1-CG 3.46Å; D202-R204 PolarHBondContact OD1-N 3.37Å; D202-R204 IonicContact OD1-NE 3.79Å; D202-R204 PolarHBondContact OD1-NE 3.48Å; D202-R204 VanDerWaalsContact OD1-NE 3.14Å; D202-R204 IonicContact OD2-CZ 3.65Å; D202-R204 VanDerWaalsContact OD2-CZ 3.29Å; D202-R204 IonicContact OD2-NE 2.79Å; D202-R204 PolarHBondContact OD2-NE 3.08Å; D202-R204 IonicContact OD2-NH2 3.68Å; D202-R204 PolarHBondContact OD2-NH2 3.4Å; R204-R208 HydrophobicContact CB-CB 4.36Å; R204-R208 VanDerWaalsContact CD-NH2 3.26Å; R204-E215 IonicContact CZ-OE1 3.67Å; R204-E215 IonicContact NH1-OE1 2.79Å; R204-E215 PolarHBondContact NH1-OE1 2.89Å; R204-G223 VanDerWaalsContact CZ-O 3.31Å; R204-G223 PolarHBondContact NH1-O 3.08Å; R204-G223 PolarHBondContact NH2-O 2.84Å; R204-N230 PolarHBondContact O-ND2 3.05Å; R204-C268 HydrophobicContact CG-CB 4.1Å; R204-W296 VanDerWaalsContact NH1-CD1 3.28Å; R204-W296 VanDerWaalsContact NH1-CG 3.28Å
205	A	98.2	Very high	97.7	Very high	39 Å²	39	51.6 Å²	51.6	32%	0.322	25%	0.248	S	C	.	.			trans	-55.2	145.1	170.4	0	0	0	0	0	111	G207 R208 F209	A205-G207 VanDerWaalsContact C-N 3.26Å; A205-G207 PolarHBondContact O-N 3.37Å; A205-R208 PolarHBondContact O-N 2.95Å; A205-R208 VanDerWaalsContact O-N 3.15Å; A205-F209 PolarHBondContact O-N 3.46Å
206	A	98.2	Very high	97.4	Very high	35 Å²	35	51.2 Å²	51.2	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-59.7	-34.3	-174.7	0	0	0	0	0	113.2	F209 R210 N230	A206-F209 PolarHBondContact O-N 2.86Å; A206-R210 VanDerWaalsContact O-CB 3.32Å; A206-R210 WeakPolarHBondContact O-CB 3.46Å; A206-R210 VanDerWaalsContact O-CG 3.27Å; A206-R210 WeakPolarHBondContact O-CG 3.41Å; A206-R210 PolarHBondContact O-N 3.05Å; A206-N230 WeakPolarHBondContact CA-OD1 3.46Å
207	G	97.9	Very high	97	Very high	13 Å²	13	44.8 Å²	44.8	13%	0.134	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-46.1	176.5	0	0	0	0	0	112.5	A205 R210 G211 K212 E213	A205-G207 VanDerWaalsContact C-N 3.26Å; A205-G207 PolarHBondContact O-N 3.37Å; G207-R210 PolarHBondContact O-N 3.5Å; G207-G211 PolarHBondContact O-N 3.27Å; G207-K212 PolarHBondContact O-N 2.84Å; G207-E213 PolarHBondContact O-N 3.34Å
208	R	97.8	Very high	96.6	Very high	41 Å²	41	45.7 Å²	45.7	16%	0.155	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-45.9	174.3	-78	171.5	59.7	-163.1	6.5	112.6	R204 A205 R210 G211 E213 E215 P222 G223	R204-R208 HydrophobicContact CB-CB 4.36Å; R204-R208 VanDerWaalsContact CD-NH2 3.26Å; A205-R208 PolarHBondContact O-N 2.95Å; A205-R208 VanDerWaalsContact O-N 3.15Å; R208-R210 VanDerWaalsContact C-N 3.34Å; R208-R210 PolarHBondContact O-N 3.14Å; R208-G211 PolarHBondContact O-N 2.94Å; R208-E213 HydrophobicContact CG-CB 4.22Å; R208-E215 WeakPolarHBondContact CB-OE1 3.28Å; R208-E215 IonicContact CZ-OE1 3.67Å; R208-E215 IonicContact CZ-OE2 3.38Å; R208-E215 VanDerWaalsContact NE-CD 3.31Å; R208-E215 IonicContact NE-OE1 2.84Å; R208-E215 PolarHBondContact NE-OE1 3.27Å; R208-E215 IonicContact NE-OE2 3.32Å; R208-E215 PolarHBondContact NE-OE2 3Å; R208-E215 IonicContact NH2-OE1 3.66Å; R208-E215 PolarHBondContact NH2-OE1 3.45Å; R208-E215 IonicContact NH2-OE2 2.66Å; R208-E215 PolarHBondContact NH2-OE2 3.17Å; R208-P222 WeakPolarHBondContact O-CB 3.36Å; R208-G223 PolarHBondContact O-N 2.61Å
209	F	98.6	Very high	96.2	Very high	18 Å²	18	48 Å²	48	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-43	176.8	179.8	-88.2	0	0	0	112.3	D202 A205 A206 G211 G223 H224 T228 N230	D202-F209 HydrophobicContact CB-CD2 3.66Å; D202-F209 HydrophobicContact CB-CE2 3.71Å; A205-F209 PolarHBondContact O-N 3.46Å; A206-F209 PolarHBondContact O-N 2.86Å; F209-G211 VanDerWaalsContact C-N 3.27Å; F209-G211 PolarHBondContact O-N 3.1Å; F209-G223 CarbonylContact O-C 3.59Å; F209-G223 WeakPolarHBondContact O-CA 3.33Å; F209-H224 HydrophobicContact CD1-CB 4.22Å; F209-H224 AromaticContact CD1-ND1 3.94Å; F209-H224 HydrophobicContact CD2-CB 3.47Å; F209-H224 VanDerWaalsContact CD2-CB 3.47Å; F209-H224 HydrophobicContact CE1-CB 4.03Å; F209-H224 AromaticContact CE1-CD2 3.75Å; F209-H224 AromaticContact CE1-CE1 3.9Å; F209-H224 AromaticContact CE1-CG 3.57Å; F209-H224 AromaticContact CE1-ND1 3.66Å; F209-H224 AromaticContact CE1-NE2 3.97Å; F209-H224 HydrophobicContact CE2-CB 3.27Å; F209-H224 AromaticContact CE2-CD2 3.99Å; F209-H224 AromaticContact CE2-CG 3.68Å; F209-H224 HydrophobicContact CG-CB 3.96Å; F209-H224 HydrophobicContact CZ-CB 3.57Å; F209-H224 AromaticContact CZ-CD2 3.37Å; F209-H224 WeakPolarHBondContact CZ-CD2 3.43Å; F209-H224 AromaticContact CZ-CG 3.37Å; F209-H224 AromaticContact CZ-ND1 3.97Å; F209-H224 PolarHBondContact O-N 3.36Å; F209-H224 PolarHBondContact O-ND1 2.82Å; F209-T228 WeakPolarHBondContact CE2-OG1 3.26Å; F209-N230 HydrophobicContact CB-CB 4.3Å; F209-N230 HydrophobicContact CD1-CB 3.66Å; F209-N230 HydrophobicContact CD2-CB 3.71Å; F209-N230 HydrophobicContact CE1-CB 3.82Å; F209-N230 HydrophobicContact CE2-CB 3.84Å; F209-N230 HydrophobicContact CG-CB 3.61Å; F209-N230 HydrophobicContact CZ-CB 3.9Å
210	R	97.8	Very high	96.1	Very high	126 Å²	126	46.6 Å²	46.6	48%	0.475	26%	0.258	S	S	.	.	H	α-helix	trans	-75.5	-12.5	179.1	-71.5	-178.7	-168.9	-178.8	3.5	113.6	A206 G207 R208 K212 E311	A206-R210 VanDerWaalsContact O-CB 3.32Å; A206-R210 WeakPolarHBondContact O-CB 3.46Å; A206-R210 VanDerWaalsContact O-CG 3.27Å; A206-R210 WeakPolarHBondContact O-CG 3.41Å; A206-R210 PolarHBondContact O-N 3.05Å; G207-R210 PolarHBondContact O-N 3.5Å; R208-R210 VanDerWaalsContact C-N 3.34Å; R208-R210 PolarHBondContact O-N 3.14Å; R210-K212 HydrophobicContact CB-CD 4.47Å; R210-K212 HydrophobicContact CB-CG 4.47Å; R210-E311 HydrophobicContact CB-CG 4.48Å; R210-E311 WeakPolarHBondContact CD-OE1 3.5Å; R210-E311 WeakPolarHBondContact CG-OE1 3.27Å; R210-E311 VanDerWaalsContact O-CB 3.24Å; R210-E311 WeakPolarHBondContact O-CB 3.24Å; R210-E311 WeakPolarHBondContact O-CG 3.44Å; R210-E311 PolarHBondContact O-N 3.29Å
211	G	96.9	Very high	96	Very high	5 Å²	5	50 Å²	50	5%	0.052	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	16.9	-174.9	0	0	0	0	0	115	G207 R208 F209 S310 G312	G207-G211 PolarHBondContact O-N 3.27Å; R208-G211 PolarHBondContact O-N 2.94Å; F209-G211 VanDerWaalsContact C-N 3.27Å; F209-G211 PolarHBondContact O-N 3.1Å; G211-S310 VanDerWaalsContact CA-OG 3.29Å; G211-S310 WeakPolarHBondContact CA-OG 3.35Å; G211-G312 VanDerWaalsContact O-CA 3.32Å; G211-G312 WeakPolarHBondContact O-CA 3.43Å; G211-G312 PolarHBondContact O-N 3.28Å
212	K	96.3	Very high	95.9	Very high	140 Å²	140	50.5 Å²	50.5	61%	0.609	28%	0.277	S	S	*	.	S	Bend	trans	-99.5	-20	-176.8	-78.1	178.2	155.2	154.3	0	114.1	G207 R210 E311	G207-K212 PolarHBondContact O-N 2.84Å; R210-K212 HydrophobicContact CB-CD 4.47Å; R210-K212 HydrophobicContact CB-CG 4.47Å; K212-E311 WeakPolarHBondContact CD-OE2 3.47Å; K212-E311 WeakPolarHBondContact CE-OE2 3.46Å; K212-E311 HydrophobicContact CG-CB 4.43Å; K212-E311 IonicContact NZ-OE2 3.05Å; K212-E311 PolarHBondContact NZ-OE2 2.83Å
213	E	94.9	Very high	95.8	Very high	100 Å²	100	50.5 Å²	50.5	47%	0.467	28%	0.277	S	S	.	.	S	Bend	trans	-123.5	141.4	177.7	-68.9	172.2	176.1	0	0	109.2	G207 R208 P222	G207-E213 PolarHBondContact O-N 3.34Å; R208-E213 HydrophobicContact CG-CB 4.22Å; E213-P222 WeakPolarHBondContact O-CB 3.23Å; E213-P222 VanDerWaalsContact O-CG 3.23Å; E213-P222 WeakPolarHBondContact O-CG 3.45Å
214	P	94.3	Very high	95.8	Very high	97 Å²	97	52.1 Å²	52.1	63%	0.63	28%	0.284	S	S	*	.			trans	-66.7	151.9	-175.3	29	-35.8	0	0	0	112
215	E	95.4	Very high	95.8	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.047	28%	0.284	C	S	.	.			trans	-71.7	152.7	166.1	-73.2	-67.9	138.7	0	0	110.6	R204 R208 R217 I220 P222	R204-E215 IonicContact CZ-OE1 3.67Å; R204-E215 IonicContact NH1-OE1 2.79Å; R204-E215 PolarHBondContact NH1-OE1 2.89Å; R208-E215 WeakPolarHBondContact CB-OE1 3.28Å; R208-E215 IonicContact CZ-OE1 3.67Å; R208-E215 IonicContact CZ-OE2 3.38Å; R208-E215 VanDerWaalsContact NE-CD 3.31Å; R208-E215 IonicContact NE-OE1 2.84Å; R208-E215 PolarHBondContact NE-OE1 3.27Å; R208-E215 IonicContact NE-OE2 3.32Å; R208-E215 PolarHBondContact NE-OE2 3Å; R208-E215 IonicContact NH2-OE1 3.66Å; R208-E215 PolarHBondContact NH2-OE1 3.45Å; R208-E215 IonicContact NH2-OE2 2.66Å; R208-E215 PolarHBondContact NH2-OE2 3.17Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-I220 HydrophobicContact CB-CB 4.28Å; E215-I220 HydrophobicContact CB-CG2 4.18Å; E215-I220 HydrophobicContact CG-CG2 4.04Å; E215-P222 HydrophobicContact CG-CB 4.22Å
216	P	91.4	Very high	95.8	Very high	37 Å²	37	51.9 Å²	51.9	24%	0.24	28%	0.28	C	S	.	.	S	Bend	trans	-74.5	-25.5	-179.2	28.8	-32.8	0	0	0	113.1	L58	L58-P216 HydrophobicContact CD1-CB 4.32Å; L58-P216 HydrophobicContact CD1-CG 4.35Å; L58-P216 HydrophobicContact CD2-CB 3.92Å; L58-P216 HydrophobicContact CD2-CG 3.81Å
217	R	89.6	Confident	95.8	Very high	75 Å²	75	54.1 Å²	54.1	28%	0.283	31%	0.306	S	S	.	.	S	Bend	trans	-87.1	126.8	179.2	179.5	166.4	174.3	170.6	-0.1	110.2	P91 D93 E215 I220 V297	P91-R217 PolarHBondContact O-NH1 3.01Å; P91-R217 PolarHBondContact O-NH2 3.28Å; D93-R217 IonicContact OD1-CZ 3.3Å; D93-R217 IonicContact OD1-NH1 2.7Å; D93-R217 PolarHBondContact OD1-NH1 3.43Å; D93-R217 WeakPolarHBondContact OD2-CD 3.35Å; D93-R217 IonicContact OD2-CZ 2.99Å; D93-R217 IonicContact OD2-NE 3.34Å; D93-R217 IonicContact OD2-NH1 2.86Å; D93-R217 PolarHBondContact OD2-NH1 3.19Å; E215-R217 VanDerWaalsContact C-N 3.35Å; R217-I220 HydrophobicContact CB-CG1 4.1Å; R217-I220 HydrophobicContact CG-CG1 3.9Å; R217-I220 PolarHBondContact O-N 2.91Å; R217-V297 VanDerWaalsContact NH1-CG1 3.28Å
218	D	89.2	Confident	95.8	Very high	147 Å²	147	54.3 Å²	54.3	79%	0.786	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	141.5	176.3	-66.6	-14.9	0	0	0	111.1	I220	D218-I220 VanDerWaalsContact C-N 3.27Å; D218-I220 PolarHBondContact O-N 2.76Å
219	G	91.3	Very high	95.8	Very high	70 Å²	70	54.5 Å²	54.5	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	0.7	-178.5	0	0	0	0	0	115.1	Y300	G219-Y300 WeakPolarHBondContact O-CE1 3.3Å
220	I	95.6	Very high	95.8	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.067	31%	0.312	C	S	.	.			trans	-109.5	126.7	172.9	-52.4	-60.3	0	0	0	108.7	E215 R217 D218 Y300 M301	E215-I220 HydrophobicContact CB-CB 4.28Å; E215-I220 HydrophobicContact CB-CG2 4.18Å; E215-I220 HydrophobicContact CG-CG2 4.04Å; R217-I220 HydrophobicContact CB-CG1 4.1Å; R217-I220 HydrophobicContact CG-CG1 3.9Å; R217-I220 PolarHBondContact O-N 2.91Å; D218-I220 VanDerWaalsContact C-N 3.27Å; D218-I220 PolarHBondContact O-N 2.76Å; I220-Y300 HydrophobicContact CB-CD1 4.32Å; I220-Y300 HydrophobicContact CD1-CD1 3.66Å; I220-Y300 HydrophobicContact CD1-CE1 4.43Å; I220-Y300 HydrophobicContact CD1-CG 4.4Å; I220-Y300 HydrophobicContact CG2-CD1 3.99Å; I220-Y300 HydrophobicContact CG2-CG 3.89Å; I220-M301 HydrophobicContact CD1-CG 3.76Å; I220-M301 HydrophobicContact CD1-SD 4.28Å
221	E	96.4	Very high	95.9	Very high	82 Å²	82	48.6 Å²	48.6	38%	0.383	29%	0.289	S	S	.	.			trans	-95.2	154.1	176.1	-62.6	-70.2	167	0	0	111	W296 Y300 R313	E221-W296 PolarHBondContact O-NE1 3.48Å; E221-Y300 HydrophobicContact CB-CE2 3.58Å; E221-Y300 WeakPolarHBondContact CB-OH 3.29Å; E221-Y300 HydrophobicContact CG-CE2 4.24Å; E221-Y300 WeakPolarHBondContact CG-OH 2.96Å; E221-R313 IonicContact OE1-NH2 3.84Å
222	P	97.3	Very high	96	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.071	29%	0.29	C	S	.	.			trans	-79.7	164.6	180	36.7	-39.3	0	0	0	112.4	R208 E213 E215 S310	R208-P222 WeakPolarHBondContact O-CB 3.36Å; E213-P222 WeakPolarHBondContact O-CB 3.23Å; E213-P222 VanDerWaalsContact O-CG 3.23Å; E213-P222 WeakPolarHBondContact O-CG 3.45Å; E215-P222 HydrophobicContact CG-CB 4.22Å; P222-S310 PolarHBondContact O-OG 3.45Å; P222-S310 VanDerWaalsContact O-OG 3.04Å
223	G	97.9	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.266	C	S	.	.			trans	142.5	-170.7	-171.5	0	0	0	0	0	110.6	R204 R208 F209 W296 I309	R204-G223 VanDerWaalsContact CZ-O 3.31Å; R204-G223 PolarHBondContact NH1-O 3.08Å; R204-G223 PolarHBondContact NH2-O 2.84Å; R208-G223 PolarHBondContact O-N 2.61Å; F209-G223 CarbonylContact O-C 3.59Å; F209-G223 WeakPolarHBondContact O-CA 3.33Å; G223-W296 VanDerWaalsContact C-CZ2 3.44Å; G223-W296 WeakPolarHBondContact O-CZ2 3.31Å; G223-I309 CarbonylContact C-O 3.59Å; G223-I309 WeakPolarHBondContact CA-O 3.5Å
224	H	98.6	Very high	96.3	Very high	34 Å²	34	41.5 Å²	41.5	16%	0.157	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-144.5	163.4	179.3	62.7	-79.1	0	0	0	113.1	F209 W296 I309	F209-H224 HydrophobicContact CD1-CB 4.22Å; F209-H224 AromaticContact CD1-ND1 3.94Å; F209-H224 HydrophobicContact CD2-CB 3.47Å; F209-H224 VanDerWaalsContact CD2-CB 3.47Å; F209-H224 HydrophobicContact CE1-CB 4.03Å; F209-H224 AromaticContact CE1-CD2 3.75Å; F209-H224 AromaticContact CE1-CE1 3.9Å; F209-H224 AromaticContact CE1-CG 3.57Å; F209-H224 AromaticContact CE1-ND1 3.66Å; F209-H224 AromaticContact CE1-NE2 3.97Å; F209-H224 HydrophobicContact CE2-CB 3.27Å; F209-H224 AromaticContact CE2-CD2 3.99Å; F209-H224 AromaticContact CE2-CG 3.68Å; F209-H224 HydrophobicContact CG-CB 3.96Å; F209-H224 HydrophobicContact CZ-CB 3.57Å; F209-H224 AromaticContact CZ-CD2 3.37Å; F209-H224 WeakPolarHBondContact CZ-CD2 3.43Å; F209-H224 AromaticContact CZ-CG 3.37Å; F209-H224 AromaticContact CZ-ND1 3.97Å; F209-H224 PolarHBondContact O-N 3.36Å; F209-H224 PolarHBondContact O-ND1 2.82Å; H224-W296 VanDerWaalsContact N-CH2 3.31Å; H224-I309 WeakPolarHBondContact CE1-CG2 3.36Å; H224-I309 PolarHBondContact N-O 2.81Å; H224-I309 PolarHBondContact ND1-O 2.95Å; H224-I309 PolarHBondContact O-N 3.13Å
225	I	98.6	Very high	96.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	24%	0.244	C	C	.	.			trans	-70.5	135.5	174.5	-56.3	179.2	0	0	0	107.9	I189 L193 G227 T228 Y292 W296 W299	I189-I225 HydrophobicContact CG2-CD1 4.03Å; I189-I225 HydrophobicContact CG2-CG2 4.14Å; L193-I225 HydrophobicContact CD2-CG2 3.85Å; I225-G227 PolarHBondContact O-N 3.39Å; I225-T228 HydrophobicContact CB-CG2 3.54Å; I225-T228 HydrophobicContact CG2-CG2 3.77Å; I225-T228 WeakPolarHBondContact O-CB 3.32Å; I225-T228 VanDerWaalsContact O-CG2 3.28Å; I225-T228 WeakPolarHBondContact O-CG2 3.34Å; I225-T228 PolarHBondContact O-N 2.99Å; I225-T228 PolarHBondContact O-OG1 2.87Å; I225-Y292 HydrophobicContact CD1-CD1 4.25Å; I225-Y292 HydrophobicContact CD1-CE1 4.04Å; I225-W296 HydrophobicContact CG1-CE3 4.11Å; I225-W296 HydrophobicContact CG1-CZ3 4.02Å; I225-W299 HydrophobicContact CB-CZ2 4.37Å; I225-W299 HydrophobicContact CD1-CB 4.27Å; I225-W299 HydrophobicContact CD1-CD2 3.82Å; I225-W299 HydrophobicContact CD1-CE3 4.08Å; I225-W299 HydrophobicContact CD1-CG 3.91Å; I225-W299 HydrophobicContact CG1-CB 4.42Å; I225-W299 HydrophobicContact CG1-CD2 3.71Å; I225-W299 HydrophobicContact CG1-CE3 4.4Å; I225-W299 HydrophobicContact CG1-CG 3.69Å; I225-W299 HydrophobicContact CG1-CZ2 4.34Å; I225-W299 HydrophobicContact CG2-CD2 4.44Å; I225-W299 HydrophobicContact CG2-CH2 3.99Å; I225-W299 HydrophobicContact CG2-CZ2 3.68Å; I225-W299 HydrophobicContact CG2-CZ3 4.5Å
226	P	98.5	Very high	96.7	Very high	35 Å²	35	38.7 Å²	38.7	23%	0.227	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	138.6	179.9	-23.1	29.2	0	0	0	112.9	L193 T228 D307 I309	L193-P226 HydrophobicContact CD2-CB 4.22Å; L193-P226 HydrophobicContact CD2-CG 4.39Å; P226-T228 PolarHBondContact O-N 3.31Å; P226-D307 VanDerWaalsContact CD-O 3.26Å; P226-D307 WeakPolarHBondContact CD-O 3.35Å; P226-I309 HydrophobicContact CB-CG1 4.17Å; P226-I309 HydrophobicContact CG-CD1 4.13Å; P226-I309 HydrophobicContact CG-CG1 3.88Å
227	G	96.8	Very high	97	Very high	82 Å²	82	37.5 Å²	37.5	85%	0.845	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	5	176.5	0	0	0	0	0	115.5	I225	I225-G227 PolarHBondContact O-N 3.39Å
228	T	98.1	Very high	97.4	Very high	16 Å²	16	35.8 Å²	35.8	10%	0.098	23%	0.231	C	C	.	.			trans	-83.5	153.2	177.6	62.8	0	0	0	0	112.7	V200 F209 I225 P226	V200-T228 HydrophobicContact CB-CG2 3.62Å; V200-T228 HydrophobicContact CG1-CG2 3.55Å; V200-T228 HydrophobicContact CG2-CG2 4.48Å; V200-T228 WeakPolarHBondContact O-CA 3.44Å; F209-T228 WeakPolarHBondContact CE2-OG1 3.26Å; I225-T228 HydrophobicContact CB-CG2 3.54Å; I225-T228 HydrophobicContact CG2-CG2 3.77Å; I225-T228 WeakPolarHBondContact O-CB 3.32Å; I225-T228 VanDerWaalsContact O-CG2 3.28Å; I225-T228 WeakPolarHBondContact O-CG2 3.34Å; I225-T228 PolarHBondContact O-N 2.99Å; I225-T228 PolarHBondContact O-OG1 2.87Å; P226-T228 PolarHBondContact O-N 3.31Å
229	V	98.8	Very high	97.8	Very high	45 Å²	45	37.1 Å²	37.1	27%	0.273	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.4	177.1	175.6	0	0	0	0	109.3	V200 V201 D202 I231 K256 V258	V200-V229 PolarHBondContact O-N 2.98Å; V201-V229 CarbonylContact C-O 3.47Å; V201-V229 VanDerWaalsContact CA-O 3.3Å; V201-V229 WeakPolarHBondContact CA-O 3.49Å; V201-V229 HydrophobicContact CG2-CB 4.41Å; D202-V229 PolarHBondContact N-O 3.24Å; V229-I231 HydrophobicContact CG1-CG1 4.26Å; V229-K256 HydrophobicContact CG1-CB 4.01Å; V229-K256 WeakPolarHBondContact CG1-O 3.46Å; V229-V258 HydrophobicContact CB-CG2 4.27Å; V229-V258 HydrophobicContact CG1-CG2 3.98Å; V229-V258 HydrophobicContact CG2-CG2 4.45Å
230	N	98.9	Very high	98	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.112	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120	176.3	-176.9	-130.2	0	0	0	112.4	D202 R204 A206 F209 K256	D202-N230 WeakPolarHBondContact O-CA 3.34Å; D202-N230 PolarHBondContact O-ND2 3.44Å; R204-N230 PolarHBondContact O-ND2 3.05Å; A206-N230 WeakPolarHBondContact CA-OD1 3.46Å; F209-N230 HydrophobicContact CB-CB 4.3Å; F209-N230 HydrophobicContact CD1-CB 3.66Å; F209-N230 HydrophobicContact CD2-CB 3.71Å; F209-N230 HydrophobicContact CE1-CB 3.82Å; F209-N230 HydrophobicContact CE2-CB 3.84Å; F209-N230 HydrophobicContact CG-CB 3.61Å; F209-N230 HydrophobicContact CZ-CB 3.9Å; N230-K256 PolarHBondContact O-NZ 2.56Å
231	I	98.9	Very high	98.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.			trans	-128.5	90	168.6	-49.7	-173.7	0	0	0	107.2	V201 D202 S203 V229 F233 D235 F236 L252 F253 K256 V258	V201-I231 HydrophobicContact CG1-CB 3.8Å; V201-I231 HydrophobicContact CG1-CD1 3.96Å; V201-I231 HydrophobicContact CG1-CG1 3.73Å; V201-I231 HydrophobicContact CG2-CD1 4.34Å; D202-I231 PolarHBondContact O-N 3.36Å; S203-I231 VanDerWaalsContact CA-O 3.26Å; S203-I231 WeakPolarHBondContact CA-O 3.24Å; V229-I231 HydrophobicContact CG1-CG1 4.26Å; I231-F233 PolarHBondContact O-N 3.31Å; I231-D235 HydrophobicContact CG2-CB 4.35Å; I231-F236 HydrophobicContact CB-CE2 4.27Å; I231-F236 HydrophobicContact CB-CZ 4.35Å; I231-F236 HydrophobicContact CG2-CD2 4.41Å; I231-F236 HydrophobicContact CG2-CE2 3.54Å; I231-F236 HydrophobicContact CG2-CZ 3.63Å; I231-L252 HydrophobicContact CG2-CD1 4.14Å; I231-L252 HydrophobicContact CG2-CD2 3.74Å; I231-L252 HydrophobicContact CG2-CG 3.94Å; I231-F253 HydrophobicContact CD1-CD1 3.71Å; I231-F253 HydrophobicContact CD1-CE1 3.97Å; I231-K256 HydrophobicContact CD1-CB 3.72Å; I231-K256 HydrophobicContact CD1-CG 3.86Å; I231-K256 HydrophobicContact CG1-CB 3.93Å; I231-K256 HydrophobicContact CG1-CD 4.19Å; I231-K256 HydrophobicContact CG1-CG 3.77Å; I231-V258 HydrophobicContact CD1-CG2 4.09Å
232	P	98.9	Very high	98.3	Very high	11 Å²	11	36 Å²	36	7%	0.071	21%	0.209	C	C	.	.			trans	-48.6	136.2	177.7	-27.8	35.1	0	0	0	111.5	S203 T234 D235	S203-P232 WeakPolarHBondContact O-CA 3.31Å; P232-T234 PolarHBondContact O-N 3.43Å; P232-D235 VanDerWaalsContact O-CB 3.3Å; P232-D235 WeakPolarHBondContact O-CB 3.34Å; P232-D235 PolarHBondContact O-N 3.16Å
233	F	98.8	Very high	98.3	Very high	22 Å²	22	36 Å²	36	10%	0.096	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.6	-29.3	-174.6	79.9	-84.7	0	0	0	113.1	Q125 Y128 S203 I231 D235 F236 T273 H276	Q125-F233 HydrophobicContact CB-CE2 4.16Å; Q125-F233 HydrophobicContact CG-CE2 3.93Å; Q125-F233 HydrophobicContact CG-CZ 3.91Å; Y128-F233 HydrophobicContact CD2-CE1 4.24Å; Y128-F233 AromaticContact CD2-CE2 3.81Å; Y128-F233 HydrophobicContact CD2-CE2 3.81Å; Y128-F233 AromaticContact CD2-CZ 3.58Å; Y128-F233 HydrophobicContact CD2-CZ 3.58Å; Y128-F233 HydrophobicContact CE2-CE1 4.16Å; Y128-F233 AromaticContact CE2-CZ 3.93Å; Y128-F233 HydrophobicContact CE2-CZ 3.93Å; S203-F233 PolarHBondContact O-N 3.18Å; I231-F233 PolarHBondContact O-N 3.31Å; F233-D235 PolarHBondContact O-N 2.98Å; F233-F236 WeakPolarHBondContact O-CD2 3.36Å; F233-F236 PolarHBondContact O-N 3.07Å; F233-T273 HydrophobicContact CD1-CG2 4.01Å; F233-T273 HydrophobicContact CE1-CG2 4.29Å; F233-T273 HydrophobicContact CG-CG2 4.23Å; F233-H276 HydrophobicContact CB-CB 3.9Å; F233-H276 AromaticContact CD2-CD2 3.77Å; F233-H276 AromaticContact CD2-NE2 3.76Å
234	T	98.7	Very high	98.4	Very high	62 Å²	62	38.8 Å²	38.8	38%	0.38	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.5	-24.5	175.8	48.6	0	0	0	0	113.2	Q125 P232 F236 L237	Q125-T234 HydrophobicContact CG-CG2 4.25Å; P232-T234 PolarHBondContact O-N 3.43Å; T234-F236 PolarHBondContact O-N 3.15Å; T234-L237 PolarHBondContact O-N 3.01Å; T234-L237 VanDerWaalsContact O-N 3.1Å
235	D	98.8	Very high	98.4	Very high	48 Å²	48	39.3 Å²	39.3	26%	0.257	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-70.9	-16.1	-179.4	-65.8	7.1	0	0	0	111.7	I231 P232 F233 L237 K244 L252 K256	I231-D235 HydrophobicContact CG2-CB 4.35Å; P232-D235 VanDerWaalsContact O-CB 3.3Å; P232-D235 WeakPolarHBondContact O-CB 3.34Å; P232-D235 PolarHBondContact O-N 3.16Å; F233-D235 PolarHBondContact O-N 2.98Å; D235-L237 VanDerWaalsContact C-N 3.32Å; D235-K244 WeakPolarHBondContact O-CD 3.44Å; D235-K244 VanDerWaalsContact O-CE 3.25Å; D235-K244 WeakPolarHBondContact O-CE 3.45Å; D235-K244 PolarHBondContact O-NZ 3.17Å; D235-L252 HydrophobicContact CB-CD1 4.11Å; D235-L252 HydrophobicContact CB-CD2 3.91Å; D235-L252 WeakPolarHBondContact O-CD2 3.27Å; D235-K256 IonicContact OD2-NZ 3.08Å
236	F	98.9	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-81.6	-11.5	173	-64.2	-84.2	0	0	0	113.2	I231 F233 T234 K244 I249 L252 F253 H276 V277	I231-F236 HydrophobicContact CB-CE2 4.27Å; I231-F236 HydrophobicContact CB-CZ 4.35Å; I231-F236 HydrophobicContact CG2-CD2 4.41Å; I231-F236 HydrophobicContact CG2-CE2 3.54Å; I231-F236 HydrophobicContact CG2-CZ 3.63Å; F233-F236 WeakPolarHBondContact O-CD2 3.36Å; F233-F236 PolarHBondContact O-N 3.07Å; T234-F236 PolarHBondContact O-N 3.15Å; F236-K244 WeakPolarHBondContact O-CB 3.13Å; F236-K244 WeakPolarHBondContact O-CG 3.43Å; F236-K244 PolarHBondContact O-N 2.94Å; F236-I249 HydrophobicContact CD1-CG1 4.42Å; F236-I249 HydrophobicContact CD1-CG2 4.04Å; F236-I249 HydrophobicContact CE1-CG2 4.08Å; F236-L252 HydrophobicContact CD1-CD2 3.95Å; F236-L252 HydrophobicContact CE1-CD2 3.93Å; F236-L252 HydrophobicContact CG-CD2 4.26Å; F236-L252 HydrophobicContact CZ-CD2 4.24Å; F236-F253 HydrophobicContact CE1-CE1 4.38Å; F236-F253 AromaticContact CE1-CE2 3.86Å; F236-F253 HydrophobicContact CE1-CE2 3.86Å; F236-F253 AromaticContact CE1-CZ 3.71Å; F236-F253 HydrophobicContact CE1-CZ 3.71Å; F236-F253 HydrophobicContact CZ-CE1 4.25Å; F236-F253 AromaticContact CZ-CZ 3.93Å; F236-F253 HydrophobicContact CZ-CZ 3.93Å; F236-H276 HydrophobicContact CD2-CB 4.33Å; F236-V277 HydrophobicContact CE2-CG2 3.87Å; F236-V277 HydrophobicContact CZ-CB 4.33Å; F236-V277 HydrophobicContact CZ-CG2 4.02Å
237	L	98.9	Very high	98.4	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.063	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-107.9	151.6	-174.8	-58.5	170.3	0	0	0	111.1	Q125 T234 D235 L242 E243 K244	Q125-L237 HydrophobicContact CB-CD1 4.06Å; T234-L237 PolarHBondContact O-N 3.01Å; T234-L237 VanDerWaalsContact O-N 3.1Å; D235-L237 VanDerWaalsContact C-N 3.32Å; L237-L242 CarbonylContact C-O 3.28Å; L237-L242 VanDerWaalsContact CA-O 3.26Å; L237-L242 WeakPolarHBondContact CA-O 3.09Å; L237-E243 WeakPolarHBondContact CD2-OE2 3.15Å; L237-K244 WeakPolarHBondContact O-CE 3.47Å
238	T	98.7	Very high	98.5	Very high	39 Å²	39	46.3 Å²	46.3	24%	0.239	24%	0.241	C	C	.	.			trans	-75.4	170.9	167.1	82	0	0	0	0	110.5	E240 G241 L242 K244	T238-E240 WeakPolarHBondContact CB-OE2 3.22Å; T238-E240 PolarHBondContact O-N 3.43Å; T238-E240 PolarHBondContact OG1-N 3.35Å; T238-E240 PolarHBondContact OG1-OE2 3.11Å; T238-G241 PolarHBondContact O-N 3.33Å; T238-L242 HydrophobicContact CG2-CB 4.35Å; T238-L242 PolarHBondContact N-O 3.25Å; T238-L242 PolarHBondContact OG1-N 3.14Å; T238-K244 HydrophobicContact CG2-CG 4.19Å
239	Q	96.8	Very high	98.5	Very high	176 Å²	176	45.6 Å²	45.6	82%	0.822	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.2	177.2	-64.3	-175.8	-3.2	0	0	112.4	G241	Q239-G241 PolarHBondContact O-N 2.72Å
240	E	96.2	Very high	98.5	Very high	96 Å²	96	48.2 Å²	48.2	45%	0.449	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.1	176.7	-57.7	70.9	-150.3	0	0	112.4	R157 T238	R157-E240 PolarHBondContact NH1-O 2.88Å; R157-E240 VanDerWaalsContact NH1-O 3.13Å; R157-E240 PolarHBondContact NH2-O 3.17Å; T238-E240 WeakPolarHBondContact CB-OE2 3.22Å; T238-E240 PolarHBondContact O-N 3.43Å; T238-E240 PolarHBondContact OG1-N 3.35Å; T238-E240 PolarHBondContact OG1-OE2 3.11Å
241	G	97.9	Very high	98.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	82.4	19	-179.7	0	0	0	0	0	114.8	Q125 G150 T238 Q239	Q125-G241 WeakPolarHBondContact O-CA 3.3Å; G150-G241 WeakPolarHBondContact CA-O 3.42Å; T238-G241 PolarHBondContact O-N 3.33Å; Q239-G241 PolarHBondContact O-N 2.72Å
242	L	98.8	Very high	98.5	Very high	44 Å²	44	52.3 Å²	52.3	23%	0.23	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-84.8	156.8	168.7	-65.7	169.1	0	0	0	109.6	D149 H154 L237 T238	D149-L242 WeakPolarHBondContact OD1-CA 3.5Å; H154-L242 HydrophobicContact CB-CD2 4.49Å; L237-L242 CarbonylContact C-O 3.28Å; L237-L242 VanDerWaalsContact CA-O 3.26Å; L237-L242 WeakPolarHBondContact CA-O 3.09Å; T238-L242 HydrophobicContact CG2-CB 4.35Å; T238-L242 PolarHBondContact N-O 3.25Å; T238-L242 PolarHBondContact OG1-N 3.14Å
243	E	98.8	Very high	98.5	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.061	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-66.1	139	171.5	-159.4	77.5	-164.8	0	0	110.2	L30 D149 L237 I249 L283	L30-E243 HydrophobicContact CD1-CB 3.74Å; L30-E243 HydrophobicContact CD1-CG 4.04Å; D149-E243 PolarHBondContact OD1-N 3.13Å; L237-E243 WeakPolarHBondContact CD2-OE2 3.15Å; E243-I249 HydrophobicContact CG-CD1 4.17Å; E243-L283 HydrophobicContact CG-CD1 3.62Å
244	K	98.9	Very high	98.5	Very high	57 Å²	57	57.3 Å²	57.3	25%	0.248	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.9	159.9	171.6	-77.5	179.5	178.2	175.1	0	111.5	D235 F236 L237 T238 E248 I249	D235-K244 WeakPolarHBondContact O-CD 3.44Å; D235-K244 VanDerWaalsContact O-CE 3.25Å; D235-K244 WeakPolarHBondContact O-CE 3.45Å; D235-K244 PolarHBondContact O-NZ 3.17Å; F236-K244 WeakPolarHBondContact O-CB 3.13Å; F236-K244 WeakPolarHBondContact O-CG 3.43Å; F236-K244 PolarHBondContact O-N 2.94Å; L237-K244 WeakPolarHBondContact O-CE 3.47Å; T238-K244 HydrophobicContact CG2-CG 4.19Å; K244-E248 HydrophobicContact CB-CB 4.01Å; K244-E248 HydrophobicContact CD-CB 4.23Å; K244-E248 HydrophobicContact CG-CB 4.47Å; K244-I249 HydrophobicContact CB-CD1 4.4Å; K244-I249 HydrophobicContact CB-CG1 3.9Å; K244-I249 WeakPolarHBondContact O-CD1 3.33Å
245	S	98.7	Very high	98.5	Very high	45 Å²	45	60.2 Å²	60.2	32%	0.315	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-64.8	154.3	175.4	65.7	0	0	0	0	112	E247 E248 I249	S245-E247 PolarHBondContact O-N 2.87Å; S245-E247 VanDerWaalsContact O-N 3.15Å; S245-E248 WeakPolarHBondContact CB-OE2 3.47Å; S245-E248 PolarHBondContact N-OE2 3.09Å; S245-E248 PolarHBondContact O-N 2.89Å; S245-E248 VanDerWaalsContact OG-CG 3.29Å; S245-E248 WeakPolarHBondContact OG-CG 3.44Å; S245-E248 PolarHBondContact OG-N 2.91Å; S245-E248 PolarHBondContact OG-OE2 3.36Å; S245-I249 WeakPolarHBondContact O-CG1 3.49Å; S245-I249 PolarHBondContact O-N 2.74Å
246	P	98.6	Very high	98.5	Very high	53 Å²	53	61.3 Å²	61.3	34%	0.344	29%	0.294	S	S	.	.	H	α-helix	trans	-56.6	-28.1	174.1	-27.5	35.9	0	0	0	114.4	R250	P246-R250 WeakPolarHBondContact O-CB 3.37Å; P246-R250 WeakPolarHBondContact O-CG 3.44Å; P246-R250 PolarHBondContact O-N 2.99Å; P246-R250 VanDerWaalsContact O-N 3.09Å; P246-R250 PolarHBondContact O-NE 3.46Å; P246-R250 VanDerWaalsContact O-NE 3.13Å
247	E	98.6	Very high	98.5	Very high	119 Å²	119	70.1 Å²	70.1	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-64.5	-52.4	171.3	-102.6	68.4	-156.5	0	0	111.5	S245 I249 R250 H251	S245-E247 PolarHBondContact O-N 2.87Å; S245-E247 VanDerWaalsContact O-N 3.15Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 3.3Å; E247-R250 PolarHBondContact O-N 2.95Å; E247-R250 IonicContact OE1-CZ 2.69Å; E247-R250 IonicContact OE1-NH1 3.13Å; E247-R250 IonicContact OE1-NH2 2.78Å; E247-R250 PolarHBondContact OE1-NH2 3.38Å; E247-R250 IonicContact OE2-NH2 2.7Å; E247-R250 PolarHBondContact OE2-NH2 3.41Å; E247-H251 PolarHBondContact O-N 3.04Å
248	E	98.8	Very high	98.5	Very high	94 Å²	94	69.8 Å²	69.8	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-37.6	180	-70.7	165.6	115.8	0	0	112	K244 S245 H251 L252	K244-E248 HydrophobicContact CB-CB 4.01Å; K244-E248 HydrophobicContact CD-CB 4.23Å; K244-E248 HydrophobicContact CG-CB 4.47Å; S245-E248 WeakPolarHBondContact CB-OE2 3.47Å; S245-E248 PolarHBondContact N-OE2 3.09Å; S245-E248 PolarHBondContact O-N 2.89Å; S245-E248 VanDerWaalsContact OG-CG 3.29Å; S245-E248 WeakPolarHBondContact OG-CG 3.44Å; S245-E248 PolarHBondContact OG-N 2.91Å; S245-E248 PolarHBondContact OG-OE2 3.36Å; E248-H251 WeakPolarHBondContact O-CB 3.49Å; E248-H251 PolarHBondContact O-N 3.25Å; E248-L252 WeakPolarHBondContact O-CB 3.12Å; E248-L252 PolarHBondContact O-N 3.45Å
249	I	98.9	Very high	98.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-41.7	176.4	-63.8	168.7	0	0	0	110.8	F236 E243 K244 S245 E247 H251 L252 F253 L283 C284	F236-I249 HydrophobicContact CD1-CG1 4.42Å; F236-I249 HydrophobicContact CD1-CG2 4.04Å; F236-I249 HydrophobicContact CE1-CG2 4.08Å; E243-I249 HydrophobicContact CG-CD1 4.17Å; K244-I249 HydrophobicContact CB-CD1 4.4Å; K244-I249 HydrophobicContact CB-CG1 3.9Å; K244-I249 WeakPolarHBondContact O-CD1 3.33Å; S245-I249 WeakPolarHBondContact O-CG1 3.49Å; S245-I249 PolarHBondContact O-N 2.74Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 3.3Å; I249-H251 VanDerWaalsContact C-N 3.3Å; I249-H251 PolarHBondContact O-N 2.87Å; I249-L252 WeakPolarHBondContact O-CB 3.49Å; I249-L252 PolarHBondContact O-N 2.93Å; I249-F253 HydrophobicContact CG2-CD2 3.81Å; I249-F253 HydrophobicContact CG2-CE2 3.59Å; I249-F253 VanDerWaalsContact O-CD2 3.26Å; I249-F253 WeakPolarHBondContact O-CD2 3.28Å; I249-F253 PolarHBondContact O-N 2.86Å; I249-L283 HydrophobicContact CD1-CD1 4.13Å; I249-C284 WeakPolarHBondContact CG2-SG 3.5Å
250	R	98.8	Very high	98.5	Very high	100 Å²	100	63.8 Å²	63.8	38%	0.377	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-44	172.8	-84.7	-178.6	-79.8	152	-11.3	111.2	P246 E247 F253 Q254 L260 C284	P246-R250 WeakPolarHBondContact O-CB 3.37Å; P246-R250 WeakPolarHBondContact O-CG 3.44Å; P246-R250 PolarHBondContact O-N 2.99Å; P246-R250 VanDerWaalsContact O-N 3.09Å; P246-R250 PolarHBondContact O-NE 3.46Å; P246-R250 VanDerWaalsContact O-NE 3.13Å; E247-R250 PolarHBondContact O-N 2.95Å; E247-R250 IonicContact OE1-CZ 2.69Å; E247-R250 IonicContact OE1-NH1 3.13Å; E247-R250 IonicContact OE1-NH2 2.78Å; E247-R250 PolarHBondContact OE1-NH2 3.38Å; E247-R250 IonicContact OE2-NH2 2.7Å; E247-R250 PolarHBondContact OE2-NH2 3.41Å; R250-F253 PolarHBondContact O-N 2.97Å; R250-Q254 VanDerWaalsContact O-CG 3.27Å; R250-Q254 WeakPolarHBondContact O-CG 3.4Å; R250-Q254 PolarHBondContact O-N 3.28Å; R250-L260 HydrophobicContact CG-CD1 4.49Å; R250-C284 HydrophobicContact CG-CB 4Å
251	H	98.7	Very high	98.6	Very high	97 Å²	97	64 Å²	64	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-45.4	176.1	-172.1	-94.1	0	0	0	111.7	E247 E248 I249 F253 Q254 E255	E247-H251 PolarHBondContact O-N 3.04Å; E248-H251 WeakPolarHBondContact O-CB 3.49Å; E248-H251 PolarHBondContact O-N 3.25Å; I249-H251 VanDerWaalsContact C-N 3.3Å; I249-H251 PolarHBondContact O-N 2.87Å; H251-F253 PolarHBondContact O-N 2.91Å; H251-Q254 WeakPolarHBondContact O-CB 3.34Å; H251-Q254 PolarHBondContact O-N 3.23Å; H251-Q254 VanDerWaalsContact O-N 3.1Å; H251-E255 VanDerWaalsContact CE1-CG 3.45Å; H251-E255 WeakPolarHBondContact CE1-CG 3.49Å; H251-E255 IonicContact CE1-OE1 3.02Å; H251-E255 PolarHBondContact CE1-OE1 3.33Å; H251-E255 IonicContact CE1-OE2 3.14Å; H251-E255 PolarHBondContact CE1-OE2 2.98Å; H251-E255 IonicContact ND1-OE1 3.33Å; H251-E255 IonicContact ND1-OE2 2.67Å; H251-E255 PolarHBondContact ND1-OE2 3.43Å; H251-E255 VanDerWaalsContact ND1-OE2 3.14Å; H251-E255 WeakPolarHBondContact O-CG 3.45Å; H251-E255 PolarHBondContact O-N 2.84Å
252	L	98.8	Very high	98.7	Very high	11 Å²	11	69.3 Å²	69.3	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-56.2	-47.2	177.2	176.5	63	0	0	0	112	I231 D235 F236 E248 I249 Q254 K256	I231-L252 HydrophobicContact CG2-CD1 4.14Å; I231-L252 HydrophobicContact CG2-CD2 3.74Å; I231-L252 HydrophobicContact CG2-CG 3.94Å; D235-L252 HydrophobicContact CB-CD1 4.11Å; D235-L252 HydrophobicContact CB-CD2 3.91Å; D235-L252 WeakPolarHBondContact O-CD2 3.27Å; F236-L252 HydrophobicContact CD1-CD2 3.95Å; F236-L252 HydrophobicContact CE1-CD2 3.93Å; F236-L252 HydrophobicContact CG-CD2 4.26Å; F236-L252 HydrophobicContact CZ-CD2 4.24Å; E248-L252 WeakPolarHBondContact O-CB 3.12Å; E248-L252 PolarHBondContact O-N 3.45Å; I249-L252 WeakPolarHBondContact O-CB 3.49Å; I249-L252 PolarHBondContact O-N 2.93Å; L252-Q254 PolarHBondContact O-N 2.73Å; L252-K256 HydrophobicContact CD1-CG 4.3Å; L252-K256 WeakPolarHBondContact O-CB 3.33Å; L252-K256 WeakPolarHBondContact O-CG 3.4Å; L252-K256 PolarHBondContact O-N 2.85Å
253	F	98.9	Very high	98.7	Very high	1 Å²	1	70.7 Å²	70.7	0%	0.004	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-43	175.8	-78.5	-65.1	0	0	0	111.9	I231 F236 I249 R250 H251 K256 K257 V258 L260 L264 V277 A281	I231-F253 HydrophobicContact CD1-CD1 3.71Å; I231-F253 HydrophobicContact CD1-CE1 3.97Å; F236-F253 HydrophobicContact CE1-CE1 4.38Å; F236-F253 AromaticContact CE1-CE2 3.86Å; F236-F253 HydrophobicContact CE1-CE2 3.86Å; F236-F253 AromaticContact CE1-CZ 3.71Å; F236-F253 HydrophobicContact CE1-CZ 3.71Å; F236-F253 HydrophobicContact CZ-CE1 4.25Å; F236-F253 AromaticContact CZ-CZ 3.93Å; F236-F253 HydrophobicContact CZ-CZ 3.93Å; I249-F253 HydrophobicContact CG2-CD2 3.81Å; I249-F253 HydrophobicContact CG2-CE2 3.59Å; I249-F253 VanDerWaalsContact O-CD2 3.26Å; I249-F253 WeakPolarHBondContact O-CD2 3.28Å; I249-F253 PolarHBondContact O-N 2.86Å; R250-F253 PolarHBondContact O-N 2.97Å; H251-F253 PolarHBondContact O-N 2.91Å; F253-K256 CarbonylContact O-C 3.38Å; F253-K256 PolarHBondContact O-N 2.85Å; F253-K257 PolarHBondContact O-N 2.91Å; F253-K257 VanDerWaalsContact O-N 3.14Å; F253-V258 CarbonylContact C-O 3.59Å; F253-V258 HydrophobicContact CB-CB 4.26Å; F253-V258 HydrophobicContact CD1-CB 3.79Å; F253-V258 HydrophobicContact CD1-CG1 3.66Å; F253-V258 HydrophobicContact CD1-CG2 4.39Å; F253-V258 HydrophobicContact CE1-CG1 4.23Å; F253-V258 PolarHBondContact O-N 2.78Å; F253-L260 HydrophobicContact CB-CD1 4.45Å; F253-L260 HydrophobicContact CB-CG 4.27Å; F253-L260 HydrophobicContact CD1-CD2 4.15Å; F253-L260 HydrophobicContact CD2-CD1 3.72Å; F253-L260 HydrophobicContact CD2-CD2 3.85Å; F253-L260 HydrophobicContact CD2-CG 4.05Å; F253-L260 HydrophobicContact CE1-CD2 4.23Å; F253-L260 HydrophobicContact CE2-CD1 4.24Å; F253-L260 HydrophobicContact CE2-CD2 3.94Å; F253-L260 HydrophobicContact CG-CD1 4.26Å; F253-L260 HydrophobicContact CG-CD2 3.94Å; F253-L260 HydrophobicContact CG-CG 4.13Å; F253-L260 HydrophobicContact CZ-CD2 4.13Å; F253-L264 HydrophobicContact CE1-CD2 4.14Å; F253-V277 HydrophobicContact CE1-CG1 4.03Å; F253-V277 HydrophobicContact CZ-CG1 4.08Å; F253-A281 HydrophobicContact CE2-CB 4.42Å; F253-A281 HydrophobicContact CZ-CB 4.26Å
254	Q	98.5	Very high	98.7	Very high	136 Å²	136	70.2 Å²	70.2	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-46.4	178.5	-72.2	170.2	-3.1	0	0	112.7	R250 H251 L252 K256 K257	R250-Q254 VanDerWaalsContact O-CG 3.27Å; R250-Q254 WeakPolarHBondContact O-CG 3.4Å; R250-Q254 PolarHBondContact O-N 3.28Å; H251-Q254 WeakPolarHBondContact O-CB 3.34Å; H251-Q254 PolarHBondContact O-N 3.23Å; H251-Q254 VanDerWaalsContact O-N 3.1Å; L252-Q254 PolarHBondContact O-N 2.73Å; Q254-K256 PolarHBondContact O-N 2.92Å; Q254-K257 WeakPolarHBondContact O-CA 3.45Å; Q254-K257 PolarHBondContact O-N 3.36Å
255	E	98.6	Very high	98.7	Very high	124 Å²	124	67.6 Å²	67.6	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-58.2	-36.2	176.6	-75.1	-174.1	122.9	0	0	111.9	H251 K257	H251-E255 VanDerWaalsContact CE1-CG 3.45Å; H251-E255 WeakPolarHBondContact CE1-CG 3.49Å; H251-E255 IonicContact CE1-OE1 3.02Å; H251-E255 PolarHBondContact CE1-OE1 3.33Å; H251-E255 IonicContact CE1-OE2 3.14Å; H251-E255 PolarHBondContact CE1-OE2 2.98Å; H251-E255 IonicContact ND1-OE1 3.33Å; H251-E255 IonicContact ND1-OE2 2.67Å; H251-E255 PolarHBondContact ND1-OE2 3.43Å; H251-E255 VanDerWaalsContact ND1-OE2 3.14Å; H251-E255 WeakPolarHBondContact O-CG 3.45Å; H251-E255 PolarHBondContact O-N 2.84Å; E255-K257 PolarHBondContact O-N 2.96Å
256	K	98.4	Very high	98.7	Very high	70 Å²	70	65.5 Å²	65.5	30%	0.304	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	4	178.7	-60.2	-76.4	-174.3	164.1	0	112.8	V229 N230 I231 D235 L252 F253 Q254 V258	V229-K256 HydrophobicContact CG1-CB 4.01Å; V229-K256 WeakPolarHBondContact CG1-O 3.46Å; N230-K256 PolarHBondContact O-NZ 2.56Å; I231-K256 HydrophobicContact CD1-CB 3.72Å; I231-K256 HydrophobicContact CD1-CG 3.86Å; I231-K256 HydrophobicContact CG1-CB 3.93Å; I231-K256 HydrophobicContact CG1-CD 4.19Å; I231-K256 HydrophobicContact CG1-CG 3.77Å; D235-K256 IonicContact OD2-NZ 3.08Å; L252-K256 HydrophobicContact CD1-CG 4.3Å; L252-K256 WeakPolarHBondContact O-CB 3.33Å; L252-K256 WeakPolarHBondContact O-CG 3.4Å; L252-K256 PolarHBondContact O-N 2.85Å; F253-K256 CarbonylContact O-C 3.38Å; F253-K256 PolarHBondContact O-N 2.85Å; Q254-K256 PolarHBondContact O-N 2.92Å; K256-V258 VanDerWaalsContact C-N 3.26Å; K256-V258 HydrophobicContact CB-CG2 4.34Å; K256-V258 PolarHBondContact O-N 3.07Å
257	K	98.5	Very high	98.7	Very high	185 Å²	185	63 Å²	63	80%	0.804	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	33.4	-179.8	-52.6	178.8	-179.1	178.7	0	113.3	F253 Q254 E255	F253-K257 PolarHBondContact O-N 2.91Å; F253-K257 VanDerWaalsContact O-N 3.14Å; Q254-K257 WeakPolarHBondContact O-CA 3.45Å; Q254-K257 PolarHBondContact O-N 3.36Å; E255-K257 PolarHBondContact O-N 2.96Å
258	V	98.8	Very high	98.7	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.03	28%	0.279	C	S	.	.			trans	-98.5	119.1	173.1	-179.7	0	0	0	0	108.9	V201 V229 I231 F253 K256 L264	V201-V258 HydrophobicContact CG2-CG1 4.15Å; V201-V258 HydrophobicContact CG2-CG2 3.65Å; V229-V258 HydrophobicContact CB-CG2 4.27Å; V229-V258 HydrophobicContact CG1-CG2 3.98Å; V229-V258 HydrophobicContact CG2-CG2 4.45Å; I231-V258 HydrophobicContact CD1-CG2 4.09Å; F253-V258 CarbonylContact C-O 3.59Å; F253-V258 HydrophobicContact CB-CB 4.26Å; F253-V258 HydrophobicContact CD1-CB 3.79Å; F253-V258 HydrophobicContact CD1-CG1 3.66Å; F253-V258 HydrophobicContact CD1-CG2 4.39Å; F253-V258 HydrophobicContact CE1-CG1 4.23Å; F253-V258 PolarHBondContact O-N 2.78Å; K256-V258 VanDerWaalsContact C-N 3.26Å; K256-V258 HydrophobicContact CB-CG2 4.34Å; K256-V258 PolarHBondContact O-N 3.07Å; V258-L264 HydrophobicContact CG1-CD1 3.96Å; V258-L264 HydrophobicContact CG1-CD2 4.15Å
259	D	98.6	Very high	98.7	Very high	54 Å²	54	53.2 Å²	53.2	29%	0.289	26%	0.261	S	S	.	.			trans	-94	104.3	-178	-177.1	-9.5	0	0	0	110	Q199 S261 K262	Q199-D259 PolarHBondContact NE2-O 2.59Å; D259-S261 VanDerWaalsContact CG-OG 3.31Å; D259-S261 PolarHBondContact O-N 3.32Å; D259-S261 VanDerWaalsContact O-N 3.17Å; D259-S261 WeakPolarHBondContact OD1-CB 3.46Å; D259-S261 PolarHBondContact OD1-N 2.95Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; D259-S261 PolarHBondContact OD2-OG 3.39Å; D259-K262 HydrophobicContact CB-CB 4.45Å; D259-K262 HydrophobicContact CB-CD 4.07Å; D259-K262 HydrophobicContact CB-CG 4.34Å; D259-K262 PolarHBondContact O-N 3.46Å; D259-K262 WeakPolarHBondContact OD2-CD 3.46Å; D259-K262 WeakPolarHBondContact OD2-CE 3.47Å; D259-K262 IonicContact OD2-NZ 3.97Å; D259-K262 PolarHBondContact OD2-NZ 3.19Å
260	L	98.6	Very high	98.6	Very high	35 Å²	35	54.1 Å²	54.1	18%	0.183	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.4	-179.9	-67.2	-180	0	0	0	113.6	R250 F253 L264 A281 C284 K286	R250-L260 HydrophobicContact CG-CD1 4.49Å; F253-L260 HydrophobicContact CB-CD1 4.45Å; F253-L260 HydrophobicContact CB-CG 4.27Å; F253-L260 HydrophobicContact CD1-CD2 4.15Å; F253-L260 HydrophobicContact CD2-CD1 3.72Å; F253-L260 HydrophobicContact CD2-CD2 3.85Å; F253-L260 HydrophobicContact CD2-CG 4.05Å; F253-L260 HydrophobicContact CE1-CD2 4.23Å; F253-L260 HydrophobicContact CE2-CD1 4.24Å; F253-L260 HydrophobicContact CE2-CD2 3.94Å; F253-L260 HydrophobicContact CG-CD1 4.26Å; F253-L260 HydrophobicContact CG-CD2 3.94Å; F253-L260 HydrophobicContact CG-CG 4.13Å; F253-L260 HydrophobicContact CZ-CD2 4.13Å; L260-L264 HydrophobicContact CD2-CD2 3.94Å; L260-A281 HydrophobicContact CD2-CB 4.2Å; L260-C284 HydrophobicContact CD1-CB 3.69Å; L260-K286 HydrophobicContact CB-CD 4.38Å; L260-K286 HydrophobicContact CD2-CD 4.04Å; L260-K286 WeakPolarHBondContact O-CD 3.42Å
261	S	98.3	Very high	98.6	Very high	101 Å²	101	49.3 Å²	49.3	71%	0.706	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.3	171.9	75.6	0	0	0	0	112.9	D259	D259-S261 VanDerWaalsContact CG-OG 3.31Å; D259-S261 PolarHBondContact O-N 3.32Å; D259-S261 VanDerWaalsContact O-N 3.17Å; D259-S261 WeakPolarHBondContact OD1-CB 3.46Å; D259-S261 PolarHBondContact OD1-N 2.95Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; D259-S261 PolarHBondContact OD2-OG 3.39Å
262	K	98.6	Very high	98.5	Very high	111 Å²	111	44.9 Å²	44.9	48%	0.483	23%	0.229	S	C	.	.	S	Bend	trans	-103.8	163.9	-178.4	-69.8	176.9	-173.9	142.2	0	112	D259 L264 K286	D259-K262 HydrophobicContact CB-CB 4.45Å; D259-K262 HydrophobicContact CB-CD 4.07Å; D259-K262 HydrophobicContact CB-CG 4.34Å; D259-K262 PolarHBondContact O-N 3.46Å; D259-K262 WeakPolarHBondContact OD2-CD 3.46Å; D259-K262 WeakPolarHBondContact OD2-CE 3.47Å; D259-K262 IonicContact OD2-NZ 3.97Å; D259-K262 PolarHBondContact OD2-NZ 3.19Å; K262-L264 PolarHBondContact O-N 3.1Å; K262-K286 VanDerWaalsContact O-CE 3.31Å; K262-K286 WeakPolarHBondContact O-CE 3.27Å; K262-K286 PolarHBondContact O-NZ 3.27Å
263	P	98.8	Very high	98.5	Very high	74 Å²	74	44.8 Å²	44.8	48%	0.481	23%	0.229	S	C	.	.			trans	-55.4	136.4	171.4	-26.7	37	0	0	0	111.7	F198 Q199	F198-P263 HydrophobicContact CB-CB 3.66Å; Q199-P263 PolarHBondContact N-O 3.17Å; Q199-P263 PolarHBondContact NE2-O 3.03Å
264	L	98.9	Very high	98.5	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.1	-176.4	171.7	62.3	0	0	0	108.9	Q199 V201 F253 V258 L260 K262 V277 V289 P290	Q199-L264 HydrophobicContact CB-CD1 3.99Å; Q199-L264 CarbonylContact O-C 3.53Å; Q199-L264 WeakPolarHBondContact O-CA 3.46Å; V201-L264 HydrophobicContact CB-CD1 4.14Å; V201-L264 HydrophobicContact CG2-CD1 3.55Å; F253-L264 HydrophobicContact CE1-CD2 4.14Å; V258-L264 HydrophobicContact CG1-CD1 3.96Å; V258-L264 HydrophobicContact CG1-CD2 4.15Å; L260-L264 HydrophobicContact CD2-CD2 3.94Å; K262-L264 PolarHBondContact O-N 3.1Å; L264-V277 HydrophobicContact CD2-CG1 4.4Å; L264-V289 HydrophobicContact CB-CG2 4.28Å; L264-V289 HydrophobicContact CD2-CG1 4.36Å; L264-V289 HydrophobicContact CD2-CG2 3.93Å; L264-V289 HydrophobicContact CG-CG1 4.1Å; L264-V289 HydrophobicContact CG-CG2 4.19Å; L264-P290 WeakPolarHBondContact O-CD 3.46Å
265	V	98.9	Very high	98.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.3	173.9	-178.3	0	0	0	0	108.2	K184 I189 F198 Q199 V200 V201 P290	K184-V265 HydrophobicContact CB-CG1 4.05Å; K184-V265 HydrophobicContact CG-CB 4.39Å; K184-V265 HydrophobicContact CG-CG1 3.71Å; K184-V265 HydrophobicContact CG-CG2 3.73Å; I189-V265 HydrophobicContact CD1-CG1 4.05Å; F198-V265 HydrophobicContact CB-CG2 4.11Å; F198-V265 HydrophobicContact CD1-CG2 4.27Å; F198-V265 HydrophobicContact CD2-CB 4Å; F198-V265 HydrophobicContact CD2-CG2 3.24Å; F198-V265 HydrophobicContact CE2-CB 4.21Å; F198-V265 HydrophobicContact CE2-CG2 3.56Å; F198-V265 HydrophobicContact CG-CG2 3.63Å; F198-V265 HydrophobicContact CZ-CG2 4.18Å; Q199-V265 PolarHBondContact O-N 3.24Å; V200-V265 WeakPolarHBondContact CA-O 3.31Å; V200-V265 HydrophobicContact CG2-CB 4.42Å; V201-V265 PolarHBondContact N-O 2.78Å; V265-P290 HydrophobicContact CB-CG 4.5Å; V265-P290 HydrophobicContact CG1-CG 4.49Å; V265-P290 HydrophobicContact CG2-CG 3.95Å
266	A	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.5	172.6	0	0	0	0	0	111.4	V201 A274 V277 V289 P290 I291 Y292	V201-A266 CarbonylContact O-C 3.56Å; V201-A266 WeakPolarHBondContact O-CA 3.3Å; A266-A274 HydrophobicContact CB-CB 4.04Å; A266-A274 WeakPolarHBondContact CB-O 3.25Å; A266-V277 HydrophobicContact CB-CB 3.7Å; A266-V277 HydrophobicContact CB-CG1 3.91Å; A266-V277 HydrophobicContact CB-CG2 4.34Å; A266-V289 HydrophobicContact CB-CG1 4.11Å; A266-P290 PolarHBondContact N-O 2.77Å; A266-I291 HydrophobicContact CB-CD1 3.77Å; A266-I291 WeakPolarHBondContact O-CA 3.4Å; A266-Y292 PolarHBondContact O-N 2.87Å
267	T	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	164	174.4	-172.6	0	0	0	0	109.9	V200 V201 D202 S203 Y292 S295	V200-T267 HydrophobicContact CG1-CG2 3.78Å; V201-T267 PolarHBondContact O-N 3.31Å; D202-T267 WeakPolarHBondContact CA-O 3.38Å; D202-T267 HydrophobicContact CB-CG2 3.81Å; S203-T267 PolarHBondContact N-O 3.02Å; T267-Y292 WeakPolarHBondContact OG1-CD1 3.33Å; T267-S295 WeakPolarHBondContact OG1-CA 3.36Å; T267-S295 PolarHBondContact OG1-OG 2.91Å
268	C	98.6	Very high	98.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	12%	0.119	C	C	.	.			trans	-155.1	-135.6	168.4	68.4	0	0	0	0	110.7	S203 R204 G271 V272 T273 A274 S295 W296	S203-C268 WeakPolarHBondContact OG-CB 3.4Å; R204-C268 HydrophobicContact CG-CB 4.1Å; C268-G271 PolarHBondContact SG-N 3.4Å; C268-G271 VanDerWaalsContact SG-N 3.39Å; C268-V272 PolarHBondContact SG-N 3.06Å; C268-T273 WeakPolarHBondContact CB-OG1 3.37Å; C268-T273 PolarHBondContact SG-N 3.38Å; C268-T273 VanDerWaalsContact SG-N 3.44Å; C268-T273 PolarHBondContact SG-OG1 3.37Å; C268-A274 HydrophobicContact CB-CB 4.13Å; C268-A274 PolarHBondContact SG-N 2.94Å; C268-S295 PolarHBondContact N-OG 3.24Å; C268-S295 VanDerWaalsContact N-OG 3.16Å; C268-S295 WeakPolarHBondContact O-CB 3.35Å; C268-W296 WeakPolarHBondContact O-CB 3.45Å; C268-W296 PolarHBondContact O-N 3.47Å
269	G	98.1	Very high	98.6	Very high	6 Å²	6	20.1 Å²	20.1	6%	0.062	12%	0.118	C	C	.	.	S	Bend	trans	-70.2	-51.4	170.8	0	0	0	0	0	112.8	S295 W296 V297	G269-S295 VanDerWaalsContact C-CB 3.48Å; G269-S295 WeakPolarHBondContact O-CB 3.32Å; G269-W296 PolarHBondContact O-N 3.21Å; G269-V297 WeakPolarHBondContact O-CG2 3.47Å; G269-V297 PolarHBondContact O-N 2.93Å
270	S	97.4	Very high	98.6	Very high	19 Å²	19	17.5 Å²	17.5	13%	0.133	10%	0.104	C	C	.	.	S	Bend	trans	-149.6	31.3	-166.5	51	0	0	0	0	112.8	H94 V272 D293	H94-S270 PolarHBondContact CD2-OG 2.79Å; S270-V272 PolarHBondContact O-N 3.41Å; S270-V272 VanDerWaalsContact O-N 3.09Å; S270-D293 CarbonylContact C-O 3.58Å
271	G	97.7	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	74.6	-2.4	177.6	0	0	0	0	0	116.2	R132 C268 C275 S295	R132-G271 PolarHBondContact NH1-O 3.14Å; C268-G271 PolarHBondContact SG-N 3.4Å; C268-G271 VanDerWaalsContact SG-N 3.39Å; G271-C275 PolarHBondContact O-SG 3.35Å; G271-C275 VanDerWaalsContact O-SG 3.36Å; G271-S295 WeakPolarHBondContact CA-OG 3.43Å; G271-S295 VanDerWaalsContact N-CB 3.32Å; G271-S295 PolarHBondContact N-OG 2.85Å
272	V	98.6	Very high	98.7	Very high	3 Å²	3	12 Å²	12	2%	0.018	7%	0.065	C	C	.	.	S	Bend	trans	-76.6	-73.7	-179	-178.2	0	0	0	0	111.5	H94 R132 C268 S270 A274 C275	H94-V272 HydrophobicContact CB-CG2 4.14Å; R132-V272 HydrophobicContact CB-CB 4.49Å; R132-V272 HydrophobicContact CB-CG1 3.99Å; R132-V272 HydrophobicContact CG-CG1 4.49Å; R132-V272 HydrophobicContact CG-CG2 4.43Å; C268-V272 PolarHBondContact SG-N 3.06Å; S270-V272 PolarHBondContact O-N 3.41Å; S270-V272 VanDerWaalsContact O-N 3.09Å; V272-A274 PolarHBondContact O-N 2.9Å; V272-A274 VanDerWaalsContact O-N 3.1Å; V272-C275 WeakPolarHBondContact O-CB 3.07Å; V272-C275 PolarHBondContact O-N 3.32Å; V272-C275 PolarHBondContact O-SG 3.05Å
273	T	98.8	Very high	98.7	Very high	10 Å²	10	8.8 Å²	8.8	6%	0.061	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.9	-176.9	63.7	0	0	0	0	113.6	Y128 S203 F233 C268 C275 H276	Y128-T273 HydrophobicContact CD2-CG2 3.85Å; Y128-T273 HydrophobicContact CE2-CG2 3.33Å; S203-T273 PolarHBondContact OG-O 2.92Å; S203-T273 PolarHBondContact OG-OG1 2.92Å; F233-T273 HydrophobicContact CD1-CG2 4.01Å; F233-T273 HydrophobicContact CE1-CG2 4.29Å; F233-T273 HydrophobicContact CG-CG2 4.23Å; C268-T273 WeakPolarHBondContact CB-OG1 3.37Å; C268-T273 PolarHBondContact SG-N 3.38Å; C268-T273 VanDerWaalsContact SG-N 3.44Å; C268-T273 PolarHBondContact SG-OG1 3.37Å; T273-C275 PolarHBondContact O-N 2.84Å; T273-H276 PolarHBondContact O-N 3.38Å; T273-H276 VanDerWaalsContact O-N 3.17Å
274	A	98.9	Very high	98.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.4	-29.4	171.4	0	0	0	0	0	111	S203 A266 C268 V272 H276 V277 A278 I291	S203-A274 WeakPolarHBondContact OG-CA 3.45Å; S203-A274 PolarHBondContact OG-N 2.9Å; A266-A274 HydrophobicContact CB-CB 4.04Å; A266-A274 WeakPolarHBondContact CB-O 3.25Å; C268-A274 HydrophobicContact CB-CB 4.13Å; C268-A274 PolarHBondContact SG-N 2.94Å; V272-A274 PolarHBondContact O-N 2.9Å; V272-A274 VanDerWaalsContact O-N 3.1Å; A274-H276 PolarHBondContact O-N 3.26Å; A274-V277 WeakPolarHBondContact O-CB 3.48Å; A274-V277 PolarHBondContact O-N 2.66Å; A274-A278 PolarHBondContact O-N 2.68Å; A274-I291 HydrophobicContact CB-CD1 4.08Å; A274-I291 HydrophobicContact CB-CG2 3.88Å
275	C	98.9	Very high	98.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.2	-18.2	-179.8	-60.5	0	0	0	0	113.5	P131 W135 G271 V272 T273 A278 L279	P131-C275 VanDerWaalsContact C-CB 3.47Å; P131-C275 HydrophobicContact CB-CB 3.92Å; P131-C275 WeakPolarHBondContact O-CB 3.35Å; W135-C275 HydrophobicContact CB-CB 4.22Å; G271-C275 PolarHBondContact O-SG 3.35Å; G271-C275 VanDerWaalsContact O-SG 3.36Å; V272-C275 WeakPolarHBondContact O-CB 3.07Å; V272-C275 PolarHBondContact O-N 3.32Å; V272-C275 PolarHBondContact O-SG 3.05Å; T273-C275 PolarHBondContact O-N 2.84Å; C275-A278 PolarHBondContact O-N 3.15Å; C275-L279 WeakPolarHBondContact O-CB 3.39Å; C275-L279 PolarHBondContact O-N 2.93Å
276	H	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.4	-36	168.4	-84	-87.8	0	0	0	112.5	L127 F233 F236 T273 A274 A278 L279 G280	L127-H276 PolarHBondContact O-CE1 3.5Å; L127-H276 PolarHBondContact O-NE2 3Å; F233-H276 HydrophobicContact CB-CB 3.9Å; F233-H276 AromaticContact CD2-CD2 3.77Å; F233-H276 AromaticContact CD2-NE2 3.76Å; F236-H276 HydrophobicContact CD2-CB 4.33Å; T273-H276 PolarHBondContact O-N 3.38Å; T273-H276 VanDerWaalsContact O-N 3.17Å; A274-H276 PolarHBondContact O-N 3.26Å; H276-A278 VanDerWaalsContact C-N 3.34Å; H276-L279 PolarHBondContact O-N 2.87Å; H276-G280 PolarHBondContact O-N 2.66Å
277	V	98.9	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.7	-43.2	175.3	178.8	0	0	0	0	109.7	V201 F236 F253 L264 A266 A274 G280 A281	V201-V277 HydrophobicContact CB-CG1 4.03Å; V201-V277 HydrophobicContact CG1-CG1 3.9Å; V201-V277 HydrophobicContact CG1-CG2 3.75Å; F236-V277 HydrophobicContact CE2-CG2 3.87Å; F236-V277 HydrophobicContact CZ-CB 4.33Å; F236-V277 HydrophobicContact CZ-CG2 4.02Å; F253-V277 HydrophobicContact CE1-CG1 4.03Å; F253-V277 HydrophobicContact CZ-CG1 4.08Å; L264-V277 HydrophobicContact CD2-CG1 4.4Å; A266-V277 HydrophobicContact CB-CB 3.7Å; A266-V277 HydrophobicContact CB-CG1 3.91Å; A266-V277 HydrophobicContact CB-CG2 4.34Å; A274-V277 WeakPolarHBondContact O-CB 3.48Å; A274-V277 PolarHBondContact O-N 2.66Å; V277-G280 PolarHBondContact O-N 3.28Å; V277-A281 WeakPolarHBondContact O-CB 3.1Å; V277-A281 PolarHBondContact O-N 3.06Å
278	A	98.9	Very high	98.5	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-38.4	175.6	0	0	0	0	0	112.2	W134 A274 C275 H276 Y282 V289 I291	W134-A278 HydrophobicContact CZ3-CB 4.43Å; A274-A278 PolarHBondContact O-N 2.68Å; C275-A278 PolarHBondContact O-N 3.15Å; H276-A278 VanDerWaalsContact C-N 3.34Å; A278-Y282 VanDerWaalsContact O-CB 3.23Å; A278-Y282 WeakPolarHBondContact O-CB 3.15Å; A278-Y282 PolarHBondContact O-N 3.14Å; A278-V289 HydrophobicContact CB-CB 4.12Å; A278-V289 HydrophobicContact CB-CG1 4.09Å; A278-I291 HydrophobicContact CB-CD1 3.92Å
279	L	98.9	Very high	98.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-51.4	173.5	176.5	63	0	0	0	111.3	A29 P131 W134 L147 C275 H276 A281 Y282 L283	A29-L279 HydrophobicContact CB-CD1 3.74Å; P131-L279 HydrophobicContact CG-CD2 4.41Å; W134-L279 HydrophobicContact CH2-CD1 4.43Å; W134-L279 HydrophobicContact CZ2-CD1 4.39Å; W134-L279 HydrophobicContact CZ3-CB 4.25Å; L147-L279 HydrophobicContact CD1-CD1 3.9Å; L147-L279 HydrophobicContact CD1-CD2 3.5Å; L147-L279 VanDerWaalsContact CD1-CD2 3.5Å; L147-L279 HydrophobicContact CD1-CG 4.28Å; C275-L279 WeakPolarHBondContact O-CB 3.39Å; C275-L279 PolarHBondContact O-N 2.93Å; H276-L279 PolarHBondContact O-N 2.87Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 PolarHBondContact O-N 3.16Å; L279-Y282 WeakPolarHBondContact O-CB 3.11Å; L279-Y282 PolarHBondContact O-N 3.26Å; L279-Y282 VanDerWaalsContact O-N 3.08Å; L279-L283 HydrophobicContact CD1-CD1 4.21Å; L279-L283 HydrophobicContact CD1-CG 4.25Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 3.28Å
280	G	98.9	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.9	-45.1	178.6	0	0	0	0	0	111.7	H276 V277 Y282 L283 C284	H276-G280 PolarHBondContact O-N 2.66Å; V277-G280 PolarHBondContact O-N 3.28Å; G280-Y282 PolarHBondContact O-N 3.47Å; G280-L283 PolarHBondContact O-N 2.83Å; G280-C284 PolarHBondContact O-N 2.79Å; G280-C284 VanDerWaalsContact O-N 3.14Å; G280-C284 PolarHBondContact O-SG 3.36Å
281	A	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-42.2	174.4	0	0	0	0	0	112.4	F253 L260 V277 L279 L283 C284 G285 K286 V289	F253-A281 HydrophobicContact CE2-CB 4.42Å; F253-A281 HydrophobicContact CZ-CB 4.26Å; L260-A281 HydrophobicContact CD2-CB 4.2Å; V277-A281 WeakPolarHBondContact O-CB 3.1Å; V277-A281 PolarHBondContact O-N 3.06Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 PolarHBondContact O-N 3.16Å; A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 PolarHBondContact O-N 2.77Å; A281-C284 CarbonylContact O-C 3.57Å; A281-C284 WeakPolarHBondContact O-CA 3.11Å; A281-C284 PolarHBondContact O-N 3.45Å; A281-C284 VanDerWaalsContact O-N 3.08Å; A281-G285 PolarHBondContact O-N 3.18Å; A281-K286 CarbonylContact C-O 3.57Å; A281-K286 VanDerWaalsContact C-O 3.28Å; A281-K286 HydrophobicContact CB-CB 4.15Å; A281-K286 HydrophobicContact CB-CD 4.48Å; A281-K286 WeakPolarHBondContact O-CA 3.38Å; A281-K286 WeakPolarHBondContact O-CB 3.48Å; A281-K286 PolarHBondContact O-N 2.93Å; A281-V289 HydrophobicContact CB-CB 4.49Å; A281-V289 HydrophobicContact CB-CG2 3.51Å
282	Y	98.8	Very high	98.7	Very high	19 Å²	19	16 Å²	16	8%	0.075	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-43	177.2	-173.7	-80.7	0	0	0	111.9	L26 F27 A29 W134 A278 L279 G280 C284 G285 K286 P287	L26-Y282 HydrophobicContact CB-CE1 4.02Å; L26-Y282 HydrophobicContact CB-CE2 4.47Å; L26-Y282 WeakPolarHBondContact CB-OH 3.29Å; L26-Y282 HydrophobicContact CD1-CD1 4.33Å; L26-Y282 HydrophobicContact CD1-CD2 4.35Å; L26-Y282 HydrophobicContact CD1-CE1 4.11Å; L26-Y282 HydrophobicContact CD1-CE2 4.11Å; L26-Y282 HydrophobicContact CD1-CG 4.45Å; L26-Y282 HydrophobicContact CD2-CE2 3.99Å; L26-Y282 HydrophobicContact CG-CE2 4.42Å; F27-Y282 PolarHBondContact N-OH 2.88Å; F27-Y282 VanDerWaalsContact O-CE1 3.3Å; F27-Y282 WeakPolarHBondContact O-CE1 3.23Å; F27-Y282 PolarHBondContact O-OH 3.33Å; A29-Y282 HydrophobicContact CB-CD1 3.62Å; A29-Y282 HydrophobicContact CB-CE1 3.64Å; W134-Y282 HydrophobicContact CH2-CD2 4.11Å; W134-Y282 HydrophobicContact CH2-CG 4.08Å; W134-Y282 HydrophobicContact CZ2-CD1 4.25Å; W134-Y282 AromaticContact CZ2-CD2 3.9Å; W134-Y282 HydrophobicContact CZ2-CD2 3.9Å; W134-Y282 HydrophobicContact CZ2-CE2 4.27Å; W134-Y282 AromaticContact CZ2-CG 3.89Å; W134-Y282 HydrophobicContact CZ2-CG 3.89Å; A278-Y282 VanDerWaalsContact O-CB 3.23Å; A278-Y282 WeakPolarHBondContact O-CB 3.15Å; A278-Y282 PolarHBondContact O-N 3.14Å; L279-Y282 WeakPolarHBondContact O-CB 3.11Å; L279-Y282 PolarHBondContact O-N 3.26Å; L279-Y282 VanDerWaalsContact O-N 3.08Å; G280-Y282 PolarHBondContact O-N 3.47Å; Y282-C284 PolarHBondContact O-N 2.93Å; Y282-G285 PolarHBondContact O-N 3.38Å; Y282-K286 WeakPolarHBondContact CA-O 3.49Å; Y282-K286 PolarHBondContact N-O 3.42Å; Y282-P287 HydrophobicContact CD2-CB 3.85Å; Y282-P287 HydrophobicContact CE2-CB 3.98Å
283	L	98.6	Very high	98.6	Very high	44 Å²	44	16.1 Å²	16.1	23%	0.23	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-26.7	176.1	-65.8	171.9	0	0	0	112.6	A29 L30 E243 I249 L279 G280 A281 G285	A29-L283 HydrophobicContact CB-CD2 4.19Å; L30-L283 HydrophobicContact CD1-CD1 3.82Å; L30-L283 HydrophobicContact CD1-CD2 4.04Å; L30-L283 HydrophobicContact CG-CD1 4.39Å; L30-L283 HydrophobicContact CG-CD2 4.12Å; E243-L283 HydrophobicContact CG-CD1 3.62Å; I249-L283 HydrophobicContact CD1-CD1 4.13Å; L279-L283 HydrophobicContact CD1-CD1 4.21Å; L279-L283 HydrophobicContact CD1-CG 4.25Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 3.28Å; G280-L283 PolarHBondContact O-N 2.83Å; A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 PolarHBondContact O-N 2.77Å; L283-G285 VanDerWaalsContact C-N 3.28Å
284	C	98.5	Very high	98.6	Very high	30 Å²	30	15.7 Å²	15.7	20%	0.203	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	8.7	171.3	-59.6	0	0	0	0	113.8	I249 R250 L260 G280 A281 Y282	I249-C284 WeakPolarHBondContact CG2-SG 3.5Å; R250-C284 HydrophobicContact CG-CB 4Å; L260-C284 HydrophobicContact CD1-CB 3.69Å; G280-C284 PolarHBondContact O-N 2.79Å; G280-C284 VanDerWaalsContact O-N 3.14Å; G280-C284 PolarHBondContact O-SG 3.36Å; A281-C284 CarbonylContact O-C 3.57Å; A281-C284 WeakPolarHBondContact O-CA 3.11Å; A281-C284 PolarHBondContact O-N 3.45Å; A281-C284 VanDerWaalsContact O-N 3.08Å; Y282-C284 PolarHBondContact O-N 2.93Å
285	G	98.1	Very high	98.6	Very high	54 Å²	54	15.7 Å²	15.7	56%	0.557	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	12.5	177.4	0	0	0	0	0	115.2	A281 Y282 L283 P287	A281-G285 PolarHBondContact O-N 3.18Å; Y282-G285 PolarHBondContact O-N 3.38Å; L283-G285 VanDerWaalsContact C-N 3.28Å; G285-P287 VanDerWaalsContact O-CD 3.26Å; G285-P287 WeakPolarHBondContact O-CD 3.4Å
286	K	98.4	Very high	98.6	Very high	17 Å²	17	15.7 Å²	15.7	7%	0.074	10%	0.1	C	C	.	.			trans	-107.2	90	176.1	-173.6	-177.8	-177.2	44.6	0	111	L260 K262 A281 Y282 D288 V289	L260-K286 HydrophobicContact CB-CD 4.38Å; L260-K286 HydrophobicContact CD2-CD 4.04Å; L260-K286 WeakPolarHBondContact O-CD 3.42Å; K262-K286 VanDerWaalsContact O-CE 3.31Å; K262-K286 WeakPolarHBondContact O-CE 3.27Å; K262-K286 PolarHBondContact O-NZ 3.27Å; A281-K286 CarbonylContact C-O 3.57Å; A281-K286 VanDerWaalsContact C-O 3.28Å; A281-K286 HydrophobicContact CB-CB 4.15Å; A281-K286 HydrophobicContact CB-CD 4.48Å; A281-K286 WeakPolarHBondContact O-CA 3.38Å; A281-K286 WeakPolarHBondContact O-CB 3.48Å; A281-K286 PolarHBondContact O-N 2.93Å; Y282-K286 WeakPolarHBondContact CA-O 3.49Å; Y282-K286 PolarHBondContact N-O 3.42Å; K286-D288 VanDerWaalsContact C-N 3.34Å; K286-D288 WeakPolarHBondContact CG-OD1 3.42Å; K286-D288 VanDerWaalsContact NZ-CG 3.31Å; K286-D288 IonicContact NZ-OD1 3.35Å; K286-D288 PolarHBondContact NZ-OD1 2.96Å; K286-D288 IonicContact NZ-OD2 2.63Å; K286-D288 PolarHBondContact NZ-OD2 3.23Å; K286-D288 VanDerWaalsContact NZ-OD2 3.08Å; K286-D288 PolarHBondContact O-N 3.15Å; K286-V289 HydrophobicContact CD-CG2 3.81Å; K286-V289 HydrophobicContact CG-CG2 4.08Å
287	P	97.8	Very high	98.6	Very high	47 Å²	47	16 Å²	16	31%	0.305	10%	0.102	S	C	.	.			trans	-83.1	-8.7	-172.7	35.2	-39.2	0	0	0	115	L26 R138 Y282 G285	L26-P287 HydrophobicContact CD1-CB 4.12Å; L26-P287 HydrophobicContact CD1-CG 4.48Å; L26-P287 HydrophobicContact CD2-CB 3.62Å; L26-P287 HydrophobicContact CD2-CG 3.94Å; R138-P287 PolarHBondContact NH2-O 3.42Å; Y282-P287 HydrophobicContact CD2-CB 3.85Å; Y282-P287 HydrophobicContact CE2-CB 3.98Å; G285-P287 VanDerWaalsContact O-CD 3.26Å; G285-P287 WeakPolarHBondContact O-CD 3.4Å
288	D	97.6	Very high	98.6	Very high	96 Å²	96	16.6 Å²	16.6	51%	0.513	11%	0.105	S	C	.	.			trans	-103.4	35.2	-165.4	65.6	-39.8	0	0	0	112.9	K286 P290	K286-D288 VanDerWaalsContact C-N 3.34Å; K286-D288 WeakPolarHBondContact CG-OD1 3.42Å; K286-D288 VanDerWaalsContact NZ-CG 3.31Å; K286-D288 IonicContact NZ-OD1 3.35Å; K286-D288 PolarHBondContact NZ-OD1 2.96Å; K286-D288 IonicContact NZ-OD2 2.63Å; K286-D288 PolarHBondContact NZ-OD2 3.23Å; K286-D288 VanDerWaalsContact NZ-OD2 3.08Å; K286-D288 PolarHBondContact O-N 3.15Å; D288-P290 WeakPolarHBondContact O-CD 3.47Å
289	V	98.8	Very high	98.5	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.024	10%	0.104	C	C	.	.			trans	-91.5	101.9	174.7	179.5	0	0	0	0	109.8	L264 A266 A278 A281 K286	L264-V289 HydrophobicContact CB-CG2 4.28Å; L264-V289 HydrophobicContact CD2-CG1 4.36Å; L264-V289 HydrophobicContact CD2-CG2 3.93Å; L264-V289 HydrophobicContact CG-CG1 4.1Å; L264-V289 HydrophobicContact CG-CG2 4.19Å; A266-V289 HydrophobicContact CB-CG1 4.11Å; A278-V289 HydrophobicContact CB-CB 4.12Å; A278-V289 HydrophobicContact CB-CG1 4.09Å; A281-V289 HydrophobicContact CB-CB 4.49Å; A281-V289 HydrophobicContact CB-CG2 3.51Å; K286-V289 HydrophobicContact CD-CG2 3.81Å; K286-V289 HydrophobicContact CG-CG2 4.08Å
290	P	98.8	Very high	98.5	Very high	11 Å²	11	19.1 Å²	19.1	7%	0.071	11%	0.114	C	C	.	.			trans	-68.8	159.8	171.5	28.4	-38.4	0	0	0	112.6	A181 F182 K184 L264 V265 A266 D288	A181-P290 WeakPolarHBondContact O-CB 3.32Å; F182-P290 CarbonylContact O-C 3.52Å; F182-P290 WeakPolarHBondContact O-CA 3.47Å; F182-P290 WeakPolarHBondContact O-CB 3.37Å; K184-P290 HydrophobicContact CD-CG 4.45Å; K184-P290 HydrophobicContact CG-CB 4.07Å; K184-P290 HydrophobicContact CG-CG 3.9Å; L264-P290 WeakPolarHBondContact O-CD 3.46Å; V265-P290 HydrophobicContact CB-CG 4.5Å; V265-P290 HydrophobicContact CG1-CG 4.49Å; V265-P290 HydrophobicContact CG2-CG 3.95Å; A266-P290 PolarHBondContact N-O 2.77Å; D288-P290 WeakPolarHBondContact O-CD 3.47Å
291	I	98.9	Very high	98.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.2	173.2	-52.6	-57.3	0	0	0	109	W135 F182 I183 K184 A266 A274 A278 D293	W135-I291 HydrophobicContact CD2-CG1 3.9Å; W135-I291 VanDerWaalsContact CE2-CG1 3.42Å; W135-I291 HydrophobicContact CG-CG1 4.1Å; W135-I291 HydrophobicContact CH2-CB 4.34Å; W135-I291 HydrophobicContact CZ2-CB 3.79Å; W135-I291 HydrophobicContact CZ2-CG1 3.8Å; W135-I291 VanDerWaalsContact NE1-CG1 3.35Å; F182-I291 PolarHBondContact O-N 3.02Å; I183-I291 CarbonylContact C-O 3.54Å; I183-I291 WeakPolarHBondContact CA-O 3.3Å; K184-I291 PolarHBondContact N-O 3.4Å; A266-I291 HydrophobicContact CB-CD1 3.77Å; A266-I291 WeakPolarHBondContact O-CA 3.4Å; A274-I291 HydrophobicContact CB-CD1 4.08Å; A274-I291 HydrophobicContact CB-CG2 3.88Å; A278-I291 HydrophobicContact CB-CD1 3.92Å; I291-D293 PolarHBondContact O-N 2.73Å; I291-D293 VanDerWaalsContact O-N 3.12Å
292	Y	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	98.8	160.7	173.5	-147.8	0	0	0	108.5	K184 I189 I225 A266 T267 S295 E298 W299	K184-Y292 WeakPolarHBondContact O-CD2 3.46Å; I189-Y292 HydrophobicContact CD1-CD1 4.4Å; I189-Y292 HydrophobicContact CD1-CG 4.13Å; I189-Y292 HydrophobicContact CG1-CD1 3.79Å; I189-Y292 HydrophobicContact CG1-CD2 3.84Å; I189-Y292 HydrophobicContact CG1-CE1 4.2Å; I189-Y292 HydrophobicContact CG1-CE2 4.23Å; I189-Y292 HydrophobicContact CG1-CG 3.62Å; I225-Y292 HydrophobicContact CD1-CD1 4.25Å; I225-Y292 HydrophobicContact CD1-CE1 4.04Å; A266-Y292 PolarHBondContact O-N 2.87Å; T267-Y292 WeakPolarHBondContact OG1-CD1 3.33Å; Y292-S295 WeakPolarHBondContact CE1-O 3.48Å; Y292-S295 PolarHBondContact O-N 3.46Å; Y292-S295 PolarHBondContact O-OG 2.91Å; Y292-S295 PolarHBondContact OH-O 2.89Å; Y292-E298 VanDerWaalsContact CE2-OE2 3.24Å; Y292-E298 WeakPolarHBondContact CE2-OE2 3.35Å; Y292-E298 PolarHBondContact OH-OE2 3.21Å; Y292-W299 HydrophobicContact CE1-CB 4.22Å; Y292-W299 HydrophobicContact CE1-CE3 4.45Å; Y292-W299 PolarHBondContact OH-N 3.33Å
293	D	98.5	Very high	98.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.027	16%	0.155	C	C	.	.	S	Bend	trans	-66.4	-46.7	-164.4	-161	29.9	0	0	0	112.5	M95 L96 R132 I183 S270 I291 S295	M95-D293 HydrophobicContact CE-CB 4.14Å; L96-D293 PolarHBondContact N-OD2 3.44Å; R132-D293 IonicContact CZ-OD1 2.86Å; R132-D293 IonicContact NH1-OD1 3.98Å; R132-D293 PolarHBondContact NH1-OD1 3.31Å; R132-D293 IonicContact NH2-OD1 2.9Å; R132-D293 PolarHBondContact NH2-OD1 3.22Å; R132-D293 IonicContact NH2-OD2 2.8Å; I183-D293 HydrophobicContact CG2-CB 4.07Å; S270-D293 CarbonylContact C-O 3.58Å; I291-D293 PolarHBondContact O-N 2.73Å; I291-D293 VanDerWaalsContact O-N 3.12Å; D293-S295 PolarHBondContact O-N 3.35Å
294	G	98.4	Very high	98.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	-67.7	-21.9	176.5	0	0	0	0	0	114.2	M95 E298	M95-G294 VanDerWaalsContact SD-CA 3.54Å; G294-E298 WeakPolarHBondContact CA-OE2 3.36Å; G294-E298 WeakPolarHBondContact O-CB 3.34Å; G294-E298 PolarHBondContact O-N 3.06Å
295	S	98.8	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	53.2	-153.3	167.4	-88.2	0	0	0	0	113.3	T267 C268 G269 G271 Y292 D293 V297 E298 W299	T267-S295 WeakPolarHBondContact OG1-CA 3.36Å; T267-S295 PolarHBondContact OG1-OG 2.91Å; C268-S295 PolarHBondContact N-OG 3.24Å; C268-S295 VanDerWaalsContact N-OG 3.16Å; C268-S295 WeakPolarHBondContact O-CB 3.35Å; G269-S295 VanDerWaalsContact C-CB 3.48Å; G269-S295 WeakPolarHBondContact O-CB 3.32Å; G271-S295 WeakPolarHBondContact CA-OG 3.43Å; G271-S295 VanDerWaalsContact N-CB 3.32Å; G271-S295 PolarHBondContact N-OG 2.85Å; Y292-S295 WeakPolarHBondContact CE1-O 3.48Å; Y292-S295 PolarHBondContact O-N 3.46Å; Y292-S295 PolarHBondContact O-OG 2.91Å; Y292-S295 PolarHBondContact OH-O 2.89Å; D293-S295 PolarHBondContact O-N 3.35Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.4Å; S295-E298 PolarHBondContact O-N 3.28Å; S295-W299 WeakPolarHBondContact O-CB 3.29Å; S295-W299 PolarHBondContact O-N 3.1Å
296	W	98.7	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-36.7	-177.7	-175.6	-112.4	0	0	0	113.8	R204 E221 G223 H224 I225 C268 G269 W299 Y300 I308	R204-W296 VanDerWaalsContact NH1-CD1 3.28Å; R204-W296 VanDerWaalsContact NH1-CG 3.28Å; E221-W296 PolarHBondContact O-NE1 3.48Å; G223-W296 VanDerWaalsContact C-CZ2 3.44Å; G223-W296 WeakPolarHBondContact O-CZ2 3.31Å; H224-W296 VanDerWaalsContact N-CH2 3.31Å; I225-W296 HydrophobicContact CG1-CE3 4.11Å; I225-W296 HydrophobicContact CG1-CZ3 4.02Å; C268-W296 WeakPolarHBondContact O-CB 3.45Å; C268-W296 PolarHBondContact O-N 3.47Å; G269-W296 PolarHBondContact O-N 3.21Å; W296-W299 HydrophobicContact CE3-CB 4.35Å; W296-W299 AromaticContact CE3-CD1 3.82Å; W296-W299 HydrophobicContact CE3-CG 4.34Å; W296-W299 AromaticContact CZ3-CD1 3.4Å; W296-W299 HydrophobicContact CZ3-CG 4.3Å; W296-W299 PolarHBondContact O-N 3.44Å; W296-Y300 HydrophobicContact CZ2-CD2 4.02Å; W296-Y300 VanDerWaalsContact O-CB 3.27Å; W296-Y300 WeakPolarHBondContact O-CB 3.43Å; W296-Y300 PolarHBondContact O-N 3.22Å; W296-I308 HydrophobicContact CH2-CG2 4.02Å; W296-I308 HydrophobicContact CZ2-CG2 4.35Å
297	V	98.1	Very high	97.5	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-51.4	179.8	167.6	0	0	0	0	110.9	R217 G269 S295 W299 M301	R217-V297 VanDerWaalsContact NH1-CG1 3.28Å; G269-V297 WeakPolarHBondContact O-CG2 3.47Å; G269-V297 PolarHBondContact O-N 2.93Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.4Å; V297-W299 VanDerWaalsContact C-N 3.34Å; V297-W299 PolarHBondContact O-N 3.12Å; V297-M301 HydrophobicContact CG1-SD 4.1Å; V297-M301 VanDerWaalsContact O-CG 3.25Å; V297-M301 WeakPolarHBondContact O-CG 3.45Å; V297-M301 PolarHBondContact O-N 3.33Å
298	E	98.6	Very high	97.5	Very high	14 Å²	14	37.2 Å²	37.2	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-44.6	174.6	178.2	177.7	-153.9	0	0	111	Y92 Y292 G294 S295 Y300 M301 R302	Y92-E298 HydrophobicContact CD1-CB 3.85Å; Y92-E298 HydrophobicContact CD1-CG 4.16Å; Y92-E298 HydrophobicContact CD2-CB 4.1Å; Y92-E298 HydrophobicContact CD2-CG 4Å; Y92-E298 HydrophobicContact CE1-CB 4.09Å; Y92-E298 HydrophobicContact CE1-CG 3.93Å; Y92-E298 HydrophobicContact CE2-CB 4.33Å; Y92-E298 HydrophobicContact CE2-CG 3.75Å; Y92-E298 WeakPolarHBondContact CE2-OE1 3.26Å; Y92-E298 HydrophobicContact CG-CB 3.88Å; Y92-E298 HydrophobicContact CG-CG 4.22Å; Y292-E298 VanDerWaalsContact CE2-OE2 3.24Å; Y292-E298 WeakPolarHBondContact CE2-OE2 3.35Å; Y292-E298 PolarHBondContact OH-OE2 3.21Å; G294-E298 WeakPolarHBondContact CA-OE2 3.36Å; G294-E298 WeakPolarHBondContact O-CB 3.34Å; G294-E298 PolarHBondContact O-N 3.06Å; S295-E298 PolarHBondContact O-N 3.28Å; E298-Y300 PolarHBondContact O-N 3.01Å; E298-M301 PolarHBondContact O-N 3.42Å; E298-R302 VanDerWaalsContact CG-CD 3.46Å; E298-R302 HydrophobicContact CG-CG 4.21Å; E298-R302 WeakPolarHBondContact O-CB 3.12Å; E298-R302 WeakPolarHBondContact O-CG 3.34Å; E298-R302 PolarHBondContact O-N 3.12Å; E298-R302 VanDerWaalsContact O-N 3.09Å; E298-R302 WeakPolarHBondContact OE1-CD 3.32Å; E298-R302 IonicContact OE1-CZ 3.92Å; E298-R302 IonicContact OE1-NH1 2.92Å; E298-R302 PolarHBondContact OE1-NH1 3.41Å
299	W	98.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57	-53.2	-179.3	-176.1	-95.8	0	0	0	111.4	Y186 I189 R190 L193 I225 Y292 S295 W296 V297 M301 R302 A303 D307	Y186-W299 AromaticContact CD2-CE3 3.83Å; Y186-W299 HydrophobicContact CD2-CE3 3.83Å; Y186-W299 HydrophobicContact CD2-CZ3 4.14Å; Y186-W299 AromaticContact CE2-CE3 3.81Å; Y186-W299 HydrophobicContact CE2-CE3 3.81Å; Y186-W299 AromaticContact CE2-CZ3 3.95Å; Y186-W299 HydrophobicContact CE2-CZ3 3.95Å; I189-W299 HydrophobicContact CB-CZ3 4.14Å; I189-W299 HydrophobicContact CG2-CE3 4.01Å; I189-W299 HydrophobicContact CG2-CH2 4.21Å; I189-W299 HydrophobicContact CG2-CZ3 3.59Å; R190-W299 HydrophobicContact CB-CH2 4.48Å; R190-W299 HydrophobicContact CB-CZ3 4.3Å; L193-W299 HydrophobicContact CD1-CH2 3.79Å; L193-W299 HydrophobicContact CD1-CZ2 4.07Å; L193-W299 HydrophobicContact CD2-CH2 4.31Å; L193-W299 HydrophobicContact CG-CH2 4.21Å; I225-W299 HydrophobicContact CB-CZ2 4.37Å; I225-W299 HydrophobicContact CD1-CB 4.27Å; I225-W299 HydrophobicContact CD1-CD2 3.82Å; I225-W299 HydrophobicContact CD1-CE3 4.08Å; I225-W299 HydrophobicContact CD1-CG 3.91Å; I225-W299 HydrophobicContact CG1-CB 4.42Å; I225-W299 HydrophobicContact CG1-CD2 3.71Å; I225-W299 HydrophobicContact CG1-CE3 4.4Å; I225-W299 HydrophobicContact CG1-CG 3.69Å; I225-W299 HydrophobicContact CG1-CZ2 4.34Å; I225-W299 HydrophobicContact CG2-CD2 4.44Å; I225-W299 HydrophobicContact CG2-CH2 3.99Å; I225-W299 HydrophobicContact CG2-CZ2 3.68Å; I225-W299 HydrophobicContact CG2-CZ3 4.5Å; Y292-W299 HydrophobicContact CE1-CB 4.22Å; Y292-W299 HydrophobicContact CE1-CE3 4.45Å; Y292-W299 PolarHBondContact OH-N 3.33Å; S295-W299 WeakPolarHBondContact O-CB 3.29Å; S295-W299 PolarHBondContact O-N 3.1Å; W296-W299 HydrophobicContact CE3-CB 4.35Å; W296-W299 AromaticContact CE3-CD1 3.82Å; W296-W299 HydrophobicContact CE3-CG 4.34Å; W296-W299 AromaticContact CZ3-CD1 3.4Å; W296-W299 HydrophobicContact CZ3-CG 4.3Å; W296-W299 PolarHBondContact O-N 3.44Å; V297-W299 VanDerWaalsContact C-N 3.34Å; V297-W299 PolarHBondContact O-N 3.12Å; W299-M301 VanDerWaalsContact C-N 3.26Å; W299-M301 PolarHBondContact O-N 3.14Å; W299-R302 PolarHBondContact O-N 3.25Å; W299-R302 VanDerWaalsContact O-N 3.15Å; W299-A303 HydrophobicContact CD2-CB 3.99Å; W299-A303 HydrophobicContact CG-CB 4.14Å; W299-A303 HydrophobicContact CZ2-CB 4.19Å; W299-A303 WeakPolarHBondContact O-CA 3.15Å; W299-A303 WeakPolarHBondContact O-CB 3.49Å; W299-A303 PolarHBondContact O-N 3.31Å; W299-D307 HydrophobicContact CZ2-CB 3.85Å; W299-D307 PolarHBondContact NE1-O 3.35Å
300	Y	98.1	Very high	97.3	Very high	55 Å²	55	37.5 Å²	37.5	22%	0.216	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-38.9	-178.1	-175.4	-92.5	0	0	0	112.1	G219 I220 E221 W296 E298 R302 I308	G219-Y300 WeakPolarHBondContact O-CE1 3.3Å; I220-Y300 HydrophobicContact CB-CD1 4.32Å; I220-Y300 HydrophobicContact CD1-CD1 3.66Å; I220-Y300 HydrophobicContact CD1-CE1 4.43Å; I220-Y300 HydrophobicContact CD1-CG 4.4Å; I220-Y300 HydrophobicContact CG2-CD1 3.99Å; I220-Y300 HydrophobicContact CG2-CG 3.89Å; E221-Y300 HydrophobicContact CB-CE2 3.58Å; E221-Y300 WeakPolarHBondContact CB-OH 3.29Å; E221-Y300 HydrophobicContact CG-CE2 4.24Å; E221-Y300 WeakPolarHBondContact CG-OH 2.96Å; W296-Y300 HydrophobicContact CZ2-CD2 4.02Å; W296-Y300 VanDerWaalsContact O-CB 3.27Å; W296-Y300 WeakPolarHBondContact O-CB 3.43Å; W296-Y300 PolarHBondContact O-N 3.22Å; E298-Y300 PolarHBondContact O-N 3.01Å; Y300-R302 VanDerWaalsContact C-N 3.34Å; Y300-R302 PolarHBondContact O-N 3.07Å; Y300-I308 HydrophobicContact CD2-CD1 3.74Å; Y300-I308 HydrophobicContact CE2-CD1 3.82Å
301	M	97.6	Very high	97	Very high	93 Å²	93	42.1 Å²	42.1	46%	0.458	21%	0.207	S	C	.	.	H	α-helix	trans	-72.3	-24.8	-179.7	-69.1	176.3	69	0	0	113.8	Y92 I220 V297 E298 W299	Y92-M301 HydrophobicContact CD1-CE 4.5Å; Y92-M301 HydrophobicContact CD1-SD 3.92Å; Y92-M301 HydrophobicContact CE1-CB 4.39Å; Y92-M301 HydrophobicContact CE1-CE 4.23Å; Y92-M301 HydrophobicContact CE1-SD 4.03Å; I220-M301 HydrophobicContact CD1-CG 3.76Å; I220-M301 HydrophobicContact CD1-SD 4.28Å; V297-M301 HydrophobicContact CG1-SD 4.1Å; V297-M301 VanDerWaalsContact O-CG 3.25Å; V297-M301 WeakPolarHBondContact O-CG 3.45Å; V297-M301 PolarHBondContact O-N 3.33Å; E298-M301 PolarHBondContact O-N 3.42Å; W299-M301 VanDerWaalsContact C-N 3.26Å; W299-M301 PolarHBondContact O-N 3.14Å
302	R	98.2	Very high	96	Very high	90 Å²	90	44.7 Å²	44.7	34%	0.34	23%	0.233	S	C	.	.	H	α-helix	trans	-112.8	-25.7	-173.2	-60.5	-178.8	73.7	-176.4	-12.9	114.2	Y92 Y186 E187 E298 W299 Y300	Y92-R302 VanDerWaalsContact OH-CD 3.32Å; Y92-R302 WeakPolarHBondContact OH-CD 3.46Å; Y186-R302 VanDerWaalsContact CD1-NH2 3.31Å; Y186-R302 HydrophobicContact CD2-CB 3.98Å; Y186-R302 HydrophobicContact CE1-CB 4.43Å; Y186-R302 HydrophobicContact CE2-CB 3.56Å; Y186-R302 PolarHBondContact OH-O 3.15Å; E187-R302 IonicContact OE1-CZ 2.86Å; E187-R302 IonicContact OE1-NH1 2.71Å; E187-R302 PolarHBondContact OE1-NH1 2.81Å; E187-R302 IonicContact OE1-NH2 3.27Å; E187-R302 PolarHBondContact OE1-NH2 2.93Å; E298-R302 VanDerWaalsContact CG-CD 3.46Å; E298-R302 HydrophobicContact CG-CG 4.21Å; E298-R302 WeakPolarHBondContact O-CB 3.12Å; E298-R302 WeakPolarHBondContact O-CG 3.34Å; E298-R302 PolarHBondContact O-N 3.12Å; E298-R302 VanDerWaalsContact O-N 3.09Å; E298-R302 WeakPolarHBondContact OE1-CD 3.32Å; E298-R302 IonicContact OE1-CZ 3.92Å; E298-R302 IonicContact OE1-NH1 2.92Å; E298-R302 PolarHBondContact OE1-NH1 3.41Å; W299-R302 PolarHBondContact O-N 3.25Å; W299-R302 VanDerWaalsContact O-N 3.15Å; Y300-R302 VanDerWaalsContact C-N 3.34Å; Y300-R302 PolarHBondContact O-N 3.07Å
303	A	95.8	Very high	94.2	Very high	16 Å²	16	52.2 Å²	52.2	13%	0.132	26%	0.262	C	S	.	.	S	Bend	trans	-71	153	-174.1	0	0	0	0	0	111.6	W299 D307 I308	W299-A303 HydrophobicContact CD2-CB 3.99Å; W299-A303 HydrophobicContact CG-CB 4.14Å; W299-A303 HydrophobicContact CZ2-CB 4.19Å; W299-A303 WeakPolarHBondContact O-CA 3.15Å; W299-A303 WeakPolarHBondContact O-CB 3.49Å; W299-A303 PolarHBondContact O-N 3.31Å; A303-D307 HydrophobicContact CB-CB 4.14Å; A303-I308 HydrophobicContact CB-CG1 4.44Å
304	R	95.1	Very high	91.7	Very high	116 Å²	116	55.2 Å²	55.2	44%	0.438	29%	0.294	S	S	.	.			trans	-75.2	155.4	171.8	-58.9	172	-66.6	162	-3	109.4	E306 D307	R304-E306 VanDerWaalsContact CB-CD 3.42Å; R304-E306 HydrophobicContact CB-CG 4.22Å; R304-E306 VanDerWaalsContact CB-OE2 3.26Å; R304-E306 WeakPolarHBondContact CB-OE2 3.42Å; R304-E306 VanDerWaalsContact CD-OE1 3.29Å; R304-E306 WeakPolarHBondContact CD-OE1 3.44Å; R304-E306 IonicContact CZ-OE1 3.41Å; R304-E306 IonicContact NE-OE1 2.93Å; R304-E306 PolarHBondContact NE-OE1 3.33Å; R304-E306 IonicContact NH1-OE1 2.8Å; R304-E306 PolarHBondContact NH1-OE1 3.08Å; R304-E306 PolarHBondContact O-N 3.33Å; R304-E306 VanDerWaalsContact O-N 3.16Å; R304-D307 IonicContact CZ-OD2 2.68Å; R304-D307 IonicContact NE-OD2 2.78Å; R304-D307 PolarHBondContact NE-OD2 3.26Å; R304-D307 IonicContact NH2-OD1 3.78Å; R304-D307 IonicContact NH2-OD2 3.47Å; R304-D307 PolarHBondContact NH2-OD2 3.39Å; R304-D307 WeakPolarHBondContact O-CA 3.43Å; R304-D307 WeakPolarHBondContact O-CB 3.43Å; R304-D307 PolarHBondContact O-N 3.1Å
305	P	93.1	Very high	88.9	Confident	109 Å²	109	63.8 Å²	63.8	71%	0.708	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-54.8	-35.7	-179.2	-27.5	36.1	0	0	0	114.3	D307 I308	P305-D307 PolarHBondContact O-N 3.36Å; P305-I308 PolarHBondContact O-N 2.71Å
306	E	93.4	Very high	86	Confident	110 Å²	110	68.6 Å²	68.6	51%	0.514	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-65.5	-21.6	176.8	62	-93	-147.8	0	0	114	R304 I308	R304-E306 VanDerWaalsContact CB-CD 3.42Å; R304-E306 HydrophobicContact CB-CG 4.22Å; R304-E306 VanDerWaalsContact CB-OE2 3.26Å; R304-E306 WeakPolarHBondContact CB-OE2 3.42Å; R304-E306 VanDerWaalsContact CD-OE1 3.29Å; R304-E306 WeakPolarHBondContact CD-OE1 3.44Å; R304-E306 IonicContact CZ-OE1 3.41Å; R304-E306 IonicContact NE-OE1 2.93Å; R304-E306 PolarHBondContact NE-OE1 3.33Å; R304-E306 IonicContact NH1-OE1 2.8Å; R304-E306 PolarHBondContact NH1-OE1 3.08Å; R304-E306 PolarHBondContact O-N 3.33Å; R304-E306 VanDerWaalsContact O-N 3.16Å; E306-I308 VanDerWaalsContact C-N 3.29Å
307	D	96.1	Very high	83.1	Confident	14 Å²	14	79.7 Å²	79.7	8%	0.075	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-92.8	14.4	-178.6	-64.5	-35.7	0	0	0	111.5	L193 P226 W299 A303 R304 P305	L193-D307 HydrophobicContact CD1-CB 4.5Å; P226-D307 VanDerWaalsContact CD-O 3.26Å; P226-D307 WeakPolarHBondContact CD-O 3.35Å; W299-D307 HydrophobicContact CZ2-CB 3.85Å; W299-D307 PolarHBondContact NE1-O 3.35Å; A303-D307 HydrophobicContact CB-CB 4.14Å; R304-D307 IonicContact CZ-OD2 2.68Å; R304-D307 IonicContact NE-OD2 2.78Å; R304-D307 PolarHBondContact NE-OD2 3.26Å; R304-D307 IonicContact NH2-OD1 3.78Å; R304-D307 IonicContact NH2-OD2 3.47Å; R304-D307 PolarHBondContact NH2-OD2 3.39Å; R304-D307 WeakPolarHBondContact O-CA 3.43Å; R304-D307 WeakPolarHBondContact O-CB 3.43Å; R304-D307 PolarHBondContact O-N 3.1Å; P305-D307 PolarHBondContact O-N 3.36Å
308	I	97	Very high	82.3	Confident	42 Å²	42	83.4 Å²	83.4	22%	0.215	44%	0.435	C	S	.	.			trans	-120.2	107.7	176	-62.6	174.7	0	0	0	109.1	W296 Y300 A303 P305 E306	W296-I308 HydrophobicContact CH2-CG2 4.02Å; W296-I308 HydrophobicContact CZ2-CG2 4.35Å; Y300-I308 HydrophobicContact CD2-CD1 3.74Å; Y300-I308 HydrophobicContact CE2-CD1 3.82Å; A303-I308 HydrophobicContact CB-CG1 4.44Å; P305-I308 PolarHBondContact O-N 2.71Å; E306-I308 VanDerWaalsContact C-N 3.29Å
309	I	97.5	Very high	81.5	Confident	71 Å²	71	87.1 Å²	87.1	36%	0.364	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-97.3	121	178.1	-48.8	-55.9	0	0	0	109.6	G223 H224 P226	G223-I309 CarbonylContact C-O 3.59Å; G223-I309 WeakPolarHBondContact CA-O 3.5Å; H224-I309 WeakPolarHBondContact CE1-CG2 3.36Å; H224-I309 PolarHBondContact N-O 2.81Å; H224-I309 PolarHBondContact ND1-O 2.95Å; H224-I309 PolarHBondContact O-N 3.13Å; P226-I309 HydrophobicContact CB-CG1 4.17Å; P226-I309 HydrophobicContact CG-CD1 4.13Å; P226-I309 HydrophobicContact CG-CG1 3.88Å
310	S	96.3	Very high	80.5	Confident	35 Å²	35	91.9 Å²	91.9	25%	0.245	48%	0.48	C	S	.	.			trans	-149.4	136.4	-176.1	-173.7	0	0	0	0	111.3	G211 P222 G312	G211-S310 VanDerWaalsContact CA-OG 3.29Å; G211-S310 WeakPolarHBondContact CA-OG 3.35Å; P222-S310 PolarHBondContact O-OG 3.45Å; P222-S310 VanDerWaalsContact O-OG 3.04Å; S310-G312 VanDerWaalsContact C-N 3.33Å; S310-G312 PolarHBondContact OG-N 2.77Å
311	E	92.4	Very high	79.5	Confident	109 Å²	109	94.1 Å²	94.1	51%	0.509	50%	0.496	S	S	.	.	S	Bend	trans	-78.2	-20	173.2	-62.7	174.9	-158.9	0	0	111.9	R210 K212	R210-E311 HydrophobicContact CB-CG 4.48Å; R210-E311 WeakPolarHBondContact CD-OE1 3.5Å; R210-E311 WeakPolarHBondContact CG-OE1 3.27Å; R210-E311 VanDerWaalsContact O-CB 3.24Å; R210-E311 WeakPolarHBondContact O-CB 3.24Å; R210-E311 WeakPolarHBondContact O-CG 3.44Å; R210-E311 PolarHBondContact O-N 3.29Å; K212-E311 WeakPolarHBondContact CD-OE2 3.47Å; K212-E311 WeakPolarHBondContact CE-OE2 3.46Å; K212-E311 HydrophobicContact CG-CB 4.43Å; K212-E311 IonicContact NZ-OE2 3.05Å; K212-E311 PolarHBondContact NZ-OE2 2.83Å
312	G	77.9	Confident	78.4	Confident	54 Å²	54	94.1 Å²	94.1	56%	0.557	50%	0.498	S	S	*	.	S	Bend	trans	-80.2	-15.1	-173.5	0	0	0	0	0	115.4	G211 S310	G211-G312 VanDerWaalsContact O-CA 3.32Å; G211-G312 WeakPolarHBondContact O-CA 3.43Å; G211-G312 PolarHBondContact O-N 3.28Å; S310-G312 VanDerWaalsContact C-N 3.33Å; S310-G312 PolarHBondContact OG-N 2.77Å
313	R	59.6	Low	77	Confident	157 Å²	157	94.4 Å²	94.4	59%	0.592	51%	0.509	S	S	*	.			trans	-131.1	113.2	173.8	-87.4	-173.1	178.6	165.1	6.8	111	E221 K315	E221-R313 IonicContact OE1-NH2 3.84Å; R313-K315 PolarHBondContact O-N 2.97Å
314	G	46.4	Very low	75.7	Confident	69 Å²	69	100 Å²	100	71%	0.711	54%	0.536	S	S	*	.			trans	-56.2	135.1	154.8	0	0	0	0	0	109.3	S316	G314-S316 PolarHBondContact O-N 3.42Å
315	K	40.3	Very low	74.2	Confident	180 Å²	180	98.8 Å²	98.8	78%	0.783	54%	0.543	S	S	*	.			trans	-33.5	107.8	174.7	-63.5	175.1	175.2	-175.7	0	111.5	R313 H317	R313-K315 PolarHBondContact O-N 2.97Å; K315-H317 PolarHBondContact O-N 3.3Å
316	S	37.8	Very low	72.6	Confident	102 Å²	102	97.9 Å²	97.9	71%	0.713	53%	0.529	S	S	*	.			trans	-88.3	91.7	157.6	-14.2	0	0	0	0	105.3	G314	G314-S316 PolarHBondContact O-N 3.42Å
317	H	36.7	Very low	70.7	Confident	232 Å²	232	96.8 Å²	96.8	100%	1.074	53%	0.531	S	S	*	.			trans	-69.7	0	160.2	-75.5	-62.3	0	0	0	109.5	K315	K315-H317 PolarHBondContact O-N 3.3Å

Retrieved 317 of 317 residues in 510.9 ms (Link to these results)

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