G4V5E2_SCHMA Loading...

Cathepsin B-like cysteine proteinase

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB , UniProt , Accession G4V5E2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 333 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	38.6	Very low	233 Å²	233	171.8 Å²	171.8	100%	1.148	86%	0.864	S	S	*	*				0	73.7	0	-162.7	165.7	75.5	0	0	106.2
2	N	36.9	Very low	38.5	Very low	165 Å²	165	170.3 Å²	170.3	88%	0.882	86%	0.858	S	S	*	*			trans	-125.1	128.1	-161.9	-85	-9.9	0	0	0	110.4
3	L	34.2	Very low	38.6	Very low	151 Å²	151	175 Å²	175	79%	0.791	86%	0.862	S	S	*	*			trans	-61.8	163.5	165.4	-80.2	95.8	0	0	0	112.6
4	L	36.8	Very low	38.5	Very low	154 Å²	154	174.2 Å²	174.2	81%	0.806	86%	0.861	S	S	*	*			trans	90.3	143.3	149.9	-67.1	136.1	0	0	0	118.8
5	I	42.8	Very low	38.1	Very low	157 Å²	157	173 Å²	173	81%	0.805	86%	0.86	S	S	*	*			trans	88.2	87.4	165.7	-43.1	165.8	0	0	0	114.3
6	L	40.9	Very low	38	Very low	181 Å²	181	166.6 Å²	166.6	95%	0.948	85%	0.851	S	S	*	*			trans	-174.7	38.6	144.5	-98	158	0	0	0	112.1
7	S	36.8	Very low	38.4	Very low	104 Å²	104	169.1 Å²	169.1	73%	0.727	85%	0.849	S	S	*	*			trans	-117.4	149.5	161.9	58.6	0	0	0	0	107.9
8	I	42.6	Very low	39	Very low	145 Å²	145	169 Å²	169	74%	0.744	85%	0.852	S	S	*	*	S	Bend	trans	99.4	46.9	177.6	-42.2	152.6	0	0	0	116.4
9	Y	42	Very low	40.3	Very low	244 Å²	244	164.2 Å²	164.2	96%	0.957	83%	0.828	S	S	*	*	S	Bend	trans	-140.7	12.2	155.5	-84.9	-71.8	0	0	0	115.2
10	F	39	Very low	42	Very low	196 Å²	196	162.3 Å²	162.3	86%	0.86	81%	0.814	S	S	*	*	S	Bend	trans	-134.4	94.7	179.1	-140.7	-92.2	0	0	0	106.4
11	L	33.2	Very low	43.7	Very low	160 Å²	160	163.1 Å²	163.1	84%	0.838	82%	0.816	S	S	*	*	S	Bend	trans	167.5	10.7	158.5	-91.4	154.5	0	0	0	119
12	I	37.9	Very low	46	Very low	154 Å²	154	153.9 Å²	153.9	79%	0.79	77%	0.769	S	S	*	*	S	Bend	trans	-116.4	29.3	-175.1	-46.3	178.3	0	0	0	115.3
13	Y	39.7	Very low	48.4	Very low	231 Å²	231	152.4 Å²	152.4	91%	0.906	76%	0.761	S	S	*	*	S	Bend	trans	-134.8	27.8	170.1	-90.6	-80.3	0	0	0	114.7
14	L	36.8	Very low	50.9	Low	164 Å²	164	147 Å²	147	86%	0.859	73%	0.732	S	S	*	*			trans	-123	58.6	171.1	-69.2	172.2	0	0	0	110.7
15	N	33.4	Very low	53.4	Low	156 Å²	156	141 Å²	141	83%	0.834	70%	0.702	S	S	*	*			trans	-117.4	68.9	149.8	-98.9	-21	0	0	0	106.8	Y17	N15-Y17 VanDerWaalsContact C-N 3.32Å; N15-Y17 PolarHBondContact O-N 3.4Å
16	G	35.8	Very low	55.7	Low	70 Å²	70	134.3 Å²	134.3	72%	0.722	67%	0.669	S	S	*	*			trans	-65.5	98.3	164	0	0	0	0	0	107.3	N18	G16-N18 PolarHBondContact O-N 2.87Å
17	Y	45.7	Very low	58.3	Low	209 Å²	209	130.6 Å²	130.6	82%	0.82	65%	0.65	S	S	*	*			trans	-51.1	110.9	160	-92	-92.9	0	0	0	106.3	N15 L19	N15-Y17 VanDerWaalsContact C-N 3.32Å; N15-Y17 PolarHBondContact O-N 3.4Å; Y17-L19 PolarHBondContact O-N 3.36Å
18	N	49.1	Very low	61.1	Low	168 Å²	168	131.1 Å²	131.1	90%	0.898	64%	0.64	S	S	*	*			trans	-70.6	80.3	176.7	-134.2	-22.3	0	0	0	106.4	G16 K20	G16-N18 PolarHBondContact O-N 2.87Å; N18-K20 PolarHBondContact O-N 3.36Å; N18-K20 VanDerWaalsContact O-N 3.15Å
19	L	63.9	Low	63.5	Low	78 Å²	78	124.3 Å²	124.3	41%	0.408	61%	0.605	S	S	.	*			trans	-57.9	120.8	179	-73.4	174.2	0	0	0	107.4	Y17 Q21 I269	Y17-L19 PolarHBondContact O-N 3.36Å; L19-Q21 PolarHBondContact O-N 3.13Å; L19-I269 VanDerWaalsContact CD2-O 3.31Å; L19-I269 WeakPolarHBondContact CD2-O 3.26Å
20	K	74	Confident	66.1	Low	126 Å²	126	113.5 Å²	113.5	55%	0.548	56%	0.564	S	S	.	*			trans	-59.8	115	179.1	-176.1	171.9	174.1	-177.3	0	108.5	N18 F22 Y32 T270	N18-K20 PolarHBondContact O-N 3.36Å; N18-K20 VanDerWaalsContact O-N 3.15Å; K20-F22 HydrophobicContact CB-CE2 3.89Å; K20-F22 HydrophobicContact CB-CZ 4.27Å; K20-F22 HydrophobicContact CD-CE1 4.2Å; K20-F22 HydrophobicContact CD-CE2 3.99Å; K20-F22 HydrophobicContact CD-CZ 3.48Å; K20-F22 VanDerWaalsContact CD-CZ 3.48Å; K20-F22 HydrophobicContact CG-CD2 4.45Å; K20-F22 HydrophobicContact CG-CE1 4.41Å; K20-F22 HydrophobicContact CG-CE2 3.7Å; K20-F22 HydrophobicContact CG-CZ 3.68Å; K20-F22 WeakPolarHBondContact O-CD2 3.37Å; K20-F22 VanDerWaalsContact O-CE2 3.25Å; K20-F22 WeakPolarHBondContact O-CE2 3.13Å; K20-Y32 HydrophobicContact CD-CE2 4.5Å; K20-T270 PolarHBondContact O-OG1 3.36Å
21	Q	77.7	Confident	68.8	Low	179 Å²	179	110 Å²	110	84%	0.836	55%	0.55	S	S	*	*			trans	-78.5	137.2	179.5	-64.4	-171.9	1.9	0	0	110.2	L19	L19-Q21 PolarHBondContact O-N 3.13Å
22	F	86.2	Confident	71.8	Confident	40 Å²	40	105.4 Å²	105.4	18%	0.175	52%	0.522	C	S	.	.			trans	-126.3	155.7	175.5	-63.6	-91.1	0	0	0	109.2	K20 I24 E28 L29 Y32 T270	K20-F22 HydrophobicContact CB-CE2 3.89Å; K20-F22 HydrophobicContact CB-CZ 4.27Å; K20-F22 HydrophobicContact CD-CE1 4.2Å; K20-F22 HydrophobicContact CD-CE2 3.99Å; K20-F22 HydrophobicContact CD-CZ 3.48Å; K20-F22 VanDerWaalsContact CD-CZ 3.48Å; K20-F22 HydrophobicContact CG-CD2 4.45Å; K20-F22 HydrophobicContact CG-CE1 4.41Å; K20-F22 HydrophobicContact CG-CE2 3.7Å; K20-F22 HydrophobicContact CG-CZ 3.68Å; K20-F22 WeakPolarHBondContact O-CD2 3.37Å; K20-F22 VanDerWaalsContact O-CE2 3.25Å; K20-F22 WeakPolarHBondContact O-CE2 3.13Å; F22-I24 PolarHBondContact O-N 3.2Å; F22-E28 HydrophobicContact CD1-CB 4.11Å; F22-E28 HydrophobicContact CE1-CB 4.49Å; F22-L29 HydrophobicContact CB-CB 3.8Å; F22-L29 HydrophobicContact CB-CD1 4.07Å; F22-L29 HydrophobicContact CB-CG 4.39Å; F22-L29 HydrophobicContact CD2-CD1 3.85Å; F22-L29 HydrophobicContact CG-CB 4.14Å; F22-L29 HydrophobicContact CG-CD1 4.08Å; F22-Y32 HydrophobicContact CD2-CD1 4.41Å; F22-Y32 HydrophobicContact CE1-CD2 4.48Å; F22-Y32 HydrophobicContact CE1-CG 4.13Å; F22-Y32 AromaticContact CE2-CD1 3.45Å; F22-Y32 HydrophobicContact CE2-CD1 3.45Å; F22-Y32 VanDerWaalsContact CE2-CD1 3.45Å; F22-Y32 HydrophobicContact CE2-CD2 4.1Å; F22-Y32 AromaticContact CE2-CE1 3.83Å; F22-Y32 HydrophobicContact CE2-CE1 3.83Å; F22-Y32 HydrophobicContact CE2-CE2 4.42Å; F22-Y32 AromaticContact CE2-CG 3.59Å; F22-Y32 HydrophobicContact CE2-CG 3.59Å; F22-Y32 VanDerWaalsContact CZ-CB 3.46Å; F22-Y32 AromaticContact CZ-CD1 3.65Å; F22-Y32 HydrophobicContact CZ-CD1 3.65Å; F22-Y32 AromaticContact CZ-CD2 3.51Å; F22-Y32 HydrophobicContact CZ-CD2 3.51Å; F22-Y32 HydrophobicContact CZ-CE1 4.24Å; F22-Y32 HydrophobicContact CZ-CE2 4.11Å; F22-Y32 AromaticContact CZ-CG 3.23Å; F22-Y32 HydrophobicContact CZ-CG 3.23Å; F22-T270 HydrophobicContact CD2-CG2 3.99Å; F22-T270 HydrophobicContact CE2-CG2 4.15Å
23	N	87.3	Confident	74.6	Confident	133 Å²	133	98.1 Å²	98.1	71%	0.711	49%	0.485	S	S	*	.			trans	-60	130.1	165.8	-73.9	-27.2	0	0	0	109	L25 S26	N23-L25 PolarHBondContact O-N 3.27Å; N23-S26 WeakPolarHBondContact O-CB 3.14Å; N23-S26 PolarHBondContact O-N 2.63Å; N23-S26 VanDerWaalsContact O-N 3.13Å; N23-S26 PolarHBondContact O-OG 3.46Å
24	I	86.9	Confident	77.4	Confident	37 Å²	37	89.2 Å²	89.2	19%	0.19	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	133.6	-177.5	-61.9	174.6	0	0	0	108.8	F22 S26 I52 L259 Q272 V274	F22-I24 PolarHBondContact O-N 3.2Å; I24-S26 PolarHBondContact O-N 3.14Å; I24-I52 HydrophobicContact CD1-CB 4.28Å; I24-I52 HydrophobicContact CD1-CD1 3.36Å; I24-I52 HydrophobicContact CD1-CG1 3.78Å; I24-I52 HydrophobicContact CG2-CD1 4.17Å; I24-L259 HydrophobicContact CG2-CD1 3.92Å; I24-Q272 HydrophobicContact CD1-CG 4.2Å; I24-V274 HydrophobicContact CD1-CG1 4.36Å
25	L	89.2	Confident	80.3	Confident	30 Å²	30	86.9 Å²	86.9	16%	0.157	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	12.5	-175.4	-50.5	166.3	0	0	0	115.7	N23 F49 L259 N260	N23-L25 PolarHBondContact O-N 3.27Å; L25-F49 HydrophobicContact CD1-CB 3.88Å; L25-F49 WeakPolarHBondContact CD1-O 3.25Å; L25-L259 HydrophobicContact CD2-CB 3.64Å; L25-L259 HydrophobicContact CD2-CD1 4.18Å; L25-N260 WeakPolarHBondContact CA-OD1 3.42Å
26	S	92.6	Very high	83.2	Confident	16 Å²	16	83.6 Å²	83.6	11%	0.112	42%	0.418	C	S	.	.			trans	-74.6	154.8	180	65.7	0	0	0	0	113.6	N23 I24 E28 L29 I30	N23-S26 WeakPolarHBondContact O-CB 3.14Å; N23-S26 PolarHBondContact O-N 2.63Å; N23-S26 VanDerWaalsContact O-N 3.13Å; N23-S26 PolarHBondContact O-OG 3.46Å; I24-S26 PolarHBondContact O-N 3.14Å; S26-E28 VanDerWaalsContact CB-OE2 3.26Å; S26-E28 WeakPolarHBondContact CB-OE2 3.42Å; S26-E28 PolarHBondContact O-N 3.27Å; S26-L29 PolarHBondContact O-N 3.44Å; S26-L29 WeakPolarHBondContact OG-CB 3.36Å; S26-L29 PolarHBondContact OG-N 3.37Å; S26-I30 WeakPolarHBondContact O-CG1 3.3Å; S26-I30 PolarHBondContact O-N 3.17Å; S26-I30 VanDerWaalsContact O-N 3.17Å
27	D	94.2	Very high	85.8	Confident	103 Å²	103	86.6 Å²	86.6	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-65.3	-30.7	175.1	-69.9	-25.9	0	0	0	110.8	I30 Q31	D27-I30 PolarHBondContact O-N 3.48Å; D27-Q31 WeakPolarHBondContact O-CB 3.5Å; D27-Q31 PolarHBondContact O-N 2.99Å
28	E	95.1	Very high	88	Confident	114 Å²	114	79.8 Å²	79.8	53%	0.533	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-41.2	174.5	-62.5	80.2	-176.7	0	0	112.3	F22 S26 Q31 Y32	F22-E28 HydrophobicContact CD1-CB 4.11Å; F22-E28 HydrophobicContact CE1-CB 4.49Å; S26-E28 VanDerWaalsContact CB-OE2 3.26Å; S26-E28 WeakPolarHBondContact CB-OE2 3.42Å; S26-E28 PolarHBondContact O-N 3.27Å; E28-Q31 PolarHBondContact O-N 3.35Å; E28-Y32 VanDerWaalsContact O-CB 3.3Å; E28-Y32 WeakPolarHBondContact O-CB 3.46Å; E28-Y32 PolarHBondContact O-N 2.9Å
29	L	94.5	Very high	90.1	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-47.3	174.2	174.9	58.5	0	0	0	110.7	F22 S26 Q31 Y32 I33 T270	F22-L29 HydrophobicContact CB-CB 3.8Å; F22-L29 HydrophobicContact CB-CD1 4.07Å; F22-L29 HydrophobicContact CB-CG 4.39Å; F22-L29 HydrophobicContact CD2-CD1 3.85Å; F22-L29 HydrophobicContact CG-CB 4.14Å; F22-L29 HydrophobicContact CG-CD1 4.08Å; S26-L29 PolarHBondContact O-N 3.44Å; S26-L29 WeakPolarHBondContact OG-CB 3.36Å; S26-L29 PolarHBondContact OG-N 3.37Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.41Å; L29-Y32 PolarHBondContact O-N 3.49Å; L29-I33 HydrophobicContact CD1-CD1 3.76Å; L29-I33 HydrophobicContact CD1-CG1 4.22Å; L29-I33 HydrophobicContact CG-CD1 3.85Å; L29-I33 WeakPolarHBondContact O-CD1 3.38Å; L29-I33 WeakPolarHBondContact O-CG1 3.3Å; L29-I33 PolarHBondContact O-N 3.08Å; L29-T270 HydrophobicContact CD1-CG2 3.49Å; L29-T270 VanDerWaalsContact CD1-CG2 3.49Å
30	I	95.7	Very high	91.7	Very high	17 Å²	17	69.8 Å²	69.8	9%	0.087	36%	0.362	C	S	.	.	H	α-helix	trans	-59.2	-47	178.4	-68.5	162.2	0	0	0	110.5	S26 D27 I33 N34 A43 K45 N260	S26-I30 WeakPolarHBondContact O-CG1 3.3Å; S26-I30 PolarHBondContact O-N 3.17Å; S26-I30 VanDerWaalsContact O-N 3.17Å; D27-I30 PolarHBondContact O-N 3.48Å; I30-I33 PolarHBondContact O-N 2.99Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.45Å; I30-N34 WeakPolarHBondContact O-CB 3.28Å; I30-N34 VanDerWaalsContact O-CG 3.3Å; I30-N34 PolarHBondContact O-N 3.05Å; I30-N34 PolarHBondContact O-ND2 3.05Å; I30-A43 HydrophobicContact CB-CB 4.43Å; I30-A43 HydrophobicContact CG1-CB 4.39Å; I30-A43 HydrophobicContact CG2-CB 4.16Å; I30-K45 HydrophobicContact CD1-CB 4.31Å; I30-N260 HydrophobicContact CG1-CB 4.16Å
31	Q	96.8	Very high	92.8	Very high	122 Å²	122	64 Å²	64	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-63.6	-42.5	178.5	-172.5	-179.9	15.5	0	0	111.5	D27 E28 L29 N34 N35	D27-Q31 WeakPolarHBondContact O-CB 3.5Å; D27-Q31 PolarHBondContact O-N 2.99Å; E28-Q31 PolarHBondContact O-N 3.35Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.41Å; Q31-N34 PolarHBondContact O-N 2.76Å; Q31-N35 WeakPolarHBondContact O-CB 3.16Å; Q31-N35 PolarHBondContact O-N 2.85Å; Q31-N35 PolarHBondContact O-ND2 3.37Å
32	Y	96.4	Very high	93.8	Very high	65 Å²	65	60.5 Å²	60.5	26%	0.255	32%	0.319	S	S	.	.	H	α-helix	trans	-58.5	-49.4	176.8	175.4	-103.5	0	0	0	111.8	K20 F22 E28 L29 N34 N35 Y36 I269 T270	K20-Y32 HydrophobicContact CD-CE2 4.5Å; F22-Y32 HydrophobicContact CD2-CD1 4.41Å; F22-Y32 HydrophobicContact CE1-CD2 4.48Å; F22-Y32 HydrophobicContact CE1-CG 4.13Å; F22-Y32 AromaticContact CE2-CD1 3.45Å; F22-Y32 HydrophobicContact CE2-CD1 3.45Å; F22-Y32 VanDerWaalsContact CE2-CD1 3.45Å; F22-Y32 HydrophobicContact CE2-CD2 4.1Å; F22-Y32 AromaticContact CE2-CE1 3.83Å; F22-Y32 HydrophobicContact CE2-CE1 3.83Å; F22-Y32 HydrophobicContact CE2-CE2 4.42Å; F22-Y32 AromaticContact CE2-CG 3.59Å; F22-Y32 HydrophobicContact CE2-CG 3.59Å; F22-Y32 VanDerWaalsContact CZ-CB 3.46Å; F22-Y32 AromaticContact CZ-CD1 3.65Å; F22-Y32 HydrophobicContact CZ-CD1 3.65Å; F22-Y32 AromaticContact CZ-CD2 3.51Å; F22-Y32 HydrophobicContact CZ-CD2 3.51Å; F22-Y32 HydrophobicContact CZ-CE1 4.24Å; F22-Y32 HydrophobicContact CZ-CE2 4.11Å; F22-Y32 AromaticContact CZ-CG 3.23Å; F22-Y32 HydrophobicContact CZ-CG 3.23Å; E28-Y32 VanDerWaalsContact O-CB 3.3Å; E28-Y32 WeakPolarHBondContact O-CB 3.46Å; E28-Y32 PolarHBondContact O-N 2.9Å; L29-Y32 PolarHBondContact O-N 3.49Å; Y32-N34 PolarHBondContact O-N 2.91Å; Y32-N35 PolarHBondContact O-N 2.86Å; Y32-Y36 HydrophobicContact CE1-CD2 4.13Å; Y32-Y36 HydrophobicContact CE2-CD2 4.41Å; Y32-Y36 AromaticContact CZ-CD2 3.85Å; Y32-Y36 PolarHBondContact O-N 3.23Å; Y32-Y36 VanDerWaalsContact O-N 3.08Å; Y32-I269 HydrophobicContact CE1-CG2 3.92Å; Y32-T270 HydrophobicContact CD1-CG2 4.08Å; Y32-T270 HydrophobicContact CE1-CG2 3.98Å
33	I	96.6	Very high	94.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-47.7	177.5	-67	155.7	0	0	0	110.6	L29 I30 N35 Y36 W41 A43 D257 I269	L29-I33 HydrophobicContact CD1-CD1 3.76Å; L29-I33 HydrophobicContact CD1-CG1 4.22Å; L29-I33 HydrophobicContact CG-CD1 3.85Å; L29-I33 WeakPolarHBondContact O-CD1 3.38Å; L29-I33 WeakPolarHBondContact O-CG1 3.3Å; L29-I33 PolarHBondContact O-N 3.08Å; I30-I33 PolarHBondContact O-N 2.99Å; I33-N35 PolarHBondContact O-N 3.07Å; I33-Y36 WeakPolarHBondContact O-CB 3.47Å; I33-Y36 PolarHBondContact O-N 3.24Å; I33-W41 HydrophobicContact CB-CH2 4.49Å; I33-W41 HydrophobicContact CD1-CH2 3.57Å; I33-W41 HydrophobicContact CD1-CZ2 4.12Å; I33-W41 HydrophobicContact CD1-CZ3 4.29Å; I33-W41 HydrophobicContact CG1-CH2 4.11Å; I33-W41 HydrophobicContact CG1-CZ2 4.18Å; I33-W41 HydrophobicContact CG2-CD2 3.99Å; I33-W41 HydrophobicContact CG2-CE3 4Å; I33-W41 HydrophobicContact CG2-CH2 3.68Å; I33-W41 HydrophobicContact CG2-CZ2 3.64Å; I33-W41 HydrophobicContact CG2-CZ3 3.85Å; I33-A43 HydrophobicContact CB-CB 3.93Å; I33-A43 HydrophobicContact CD1-CB 3.84Å; I33-A43 HydrophobicContact CG2-CB 3.77Å; I33-D257 HydrophobicContact CD1-CB 3.96Å; I33-I269 HydrophobicContact CG2-CD1 4.48Å
34	N	97.6	Very high	94.6	Very high	44 Å²	44	53.5 Å²	53.5	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-24.8	-175.4	-76.4	-28.7	0	0	0	113.9	I30 Q31 Y32 K42 A43	I30-N34 WeakPolarHBondContact CG2-ND2 3.45Å; I30-N34 WeakPolarHBondContact O-CB 3.28Å; I30-N34 VanDerWaalsContact O-CG 3.3Å; I30-N34 PolarHBondContact O-N 3.05Å; I30-N34 PolarHBondContact O-ND2 3.05Å; Q31-N34 PolarHBondContact O-N 2.76Å; Y32-N34 PolarHBondContact O-N 2.91Å; N34-K42 PolarHBondContact O-NZ 2.95Å; N34-K42 WeakPolarHBondContact OD1-CA 3.44Å; N34-K42 WeakPolarHBondContact OD1-CD 3.36Å; N34-A43 PolarHBondContact ND2-O 3.32Å; N34-A43 PolarHBondContact OD1-N 3.06Å; N34-A43 PolarHBondContact OD1-O 3.04Å
35	N	96.8	Very high	94.8	Very high	115 Å²	115	58.3 Å²	58.3	62%	0.615	31%	0.305	S	S	*	.	H	α-helix	trans	-94.7	-5	175.7	-69.5	-19.6	0	0	0	113.4	Q31 Y32 I33 P37	Q31-N35 WeakPolarHBondContact O-CB 3.16Å; Q31-N35 PolarHBondContact O-N 2.85Å; Q31-N35 PolarHBondContact O-ND2 3.37Å; Y32-N35 PolarHBondContact O-N 2.86Å; I33-N35 PolarHBondContact O-N 3.07Å; N35-P37 VanDerWaalsContact O-CD 3.31Å; N35-P37 WeakPolarHBondContact O-CD 3.45Å
36	Y	95.2	Very high	94.7	Very high	87 Å²	87	57.3 Å²	57.3	34%	0.341	30%	0.3	S	S	.	.			trans	-72.1	115	-178.4	-163.9	-86.3	0	0	0	109.8	Y32 I33 S38 A39 I269	Y32-Y36 HydrophobicContact CE1-CD2 4.13Å; Y32-Y36 HydrophobicContact CE2-CD2 4.41Å; Y32-Y36 AromaticContact CZ-CD2 3.85Å; Y32-Y36 PolarHBondContact O-N 3.23Å; Y32-Y36 VanDerWaalsContact O-N 3.08Å; I33-Y36 WeakPolarHBondContact O-CB 3.47Å; I33-Y36 PolarHBondContact O-N 3.24Å; Y36-S38 VanDerWaalsContact C-N 3.29Å; Y36-S38 PolarHBondContact O-N 3.1Å; Y36-S38 VanDerWaalsContact O-N 3.07Å; Y36-A39 HydrophobicContact CD1-CB 4.43Å; Y36-A39 WeakPolarHBondContact O-CB 3.33Å; Y36-A39 PolarHBondContact O-N 3.28Å; Y36-I269 HydrophobicContact CD1-CD1 3.98Å; Y36-I269 HydrophobicContact CD1-CG2 4.23Å; Y36-I269 HydrophobicContact CD2-CG2 3.71Å; Y36-I269 HydrophobicContact CE1-CG2 4.25Å; Y36-I269 HydrophobicContact CE2-CG2 3.73Å; Y36-I269 HydrophobicContact CG-CD1 4.15Å; Y36-I269 HydrophobicContact CG-CG2 3.97Å
37	P	91.2	Very high	94.3	Very high	134 Å²	134	59 Å²	59	87%	0.87	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-34	-162.1	-30	36	0	0	0	115.7	N35	N35-P37 VanDerWaalsContact O-CD 3.31Å; N35-P37 WeakPolarHBondContact O-CD 3.45Å
38	S	90.9	Very high	94	Very high	66 Å²	66	54.1 Å²	54.1	46%	0.462	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	13.3	-177	54.8	0	0	0	0	113.3	Y36 G40 R267	Y36-S38 VanDerWaalsContact C-N 3.29Å; Y36-S38 PolarHBondContact O-N 3.1Å; Y36-S38 VanDerWaalsContact O-N 3.07Å; S38-G40 PolarHBondContact O-N 3.15Å; S38-R267 PolarHBondContact O-NE 3.17Å; S38-R267 PolarHBondContact O-NH1 3.2Å; S38-R267 PolarHBondContact O-NH2 3.34Å; S38-R267 PolarHBondContact OG-NH2 2.91Å
39	A	94.1	Very high	93.5	Very high	6 Å²	6	49 Å²	49	5%	0.05	26%	0.257	C	S	.	.			trans	-45.8	-44.8	-169	0	0	0	0	0	113.8	Y36 W41 R267 I269	Y36-A39 HydrophobicContact CD1-CB 4.43Å; Y36-A39 WeakPolarHBondContact O-CB 3.33Å; Y36-A39 PolarHBondContact O-N 3.28Å; A39-W41 PolarHBondContact O-N 3.36Å; A39-R267 PolarHBondContact O-NE 3.46Å; A39-R267 VanDerWaalsContact O-NE 3.1Å; A39-I269 HydrophobicContact CB-CD1 3.66Å
40	G	95.9	Very high	92.9	Very high	29 Å²	29	53.9 Å²	53.9	30%	0.299	28%	0.278	S	S	.	.			trans	80.5	-11.8	-172.6	0	0	0	0	0	113.3	S38 G264 V265	S38-G40 PolarHBondContact O-N 3.15Å; G40-G264 CarbonylContact O-C 3.53Å; G40-G264 WeakPolarHBondContact O-CA 3.37Å; G40-V265 CarbonylContact C-O 3.55Å; G40-V265 PolarHBondContact O-N 3.22Å
41	W	98.3	Very high	92.3	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	168.2	-178	64	-81.4	0	0	0	112.8	I33 A39 A43 D257 Y261 S263 Y266 R267 I269	I33-W41 HydrophobicContact CB-CH2 4.49Å; I33-W41 HydrophobicContact CD1-CH2 3.57Å; I33-W41 HydrophobicContact CD1-CZ2 4.12Å; I33-W41 HydrophobicContact CD1-CZ3 4.29Å; I33-W41 HydrophobicContact CG1-CH2 4.11Å; I33-W41 HydrophobicContact CG1-CZ2 4.18Å; I33-W41 HydrophobicContact CG2-CD2 3.99Å; I33-W41 HydrophobicContact CG2-CE3 4Å; I33-W41 HydrophobicContact CG2-CH2 3.68Å; I33-W41 HydrophobicContact CG2-CZ2 3.64Å; I33-W41 HydrophobicContact CG2-CZ3 3.85Å; A39-W41 PolarHBondContact O-N 3.36Å; W41-A43 HydrophobicContact CE3-CB 4.46Å; W41-A43 HydrophobicContact CH2-CB 4.44Å; W41-A43 HydrophobicContact CZ3-CB 3.83Å; W41-D257 HydrophobicContact CH2-CB 4.05Å; W41-D257 WeakPolarHBondContact CH2-O 3.36Å; W41-D257 HydrophobicContact CZ2-CB 4.23Å; W41-Y261 HydrophobicContact CB-CD2 4.48Å; W41-Y261 HydrophobicContact CB-CE2 4.26Å; W41-Y261 HydrophobicContact CD2-CD2 4.46Å; W41-Y261 AromaticContact CE3-CD2 3.9Å; W41-Y261 HydrophobicContact CE3-CD2 3.9Å; W41-Y261 HydrophobicContact CZ3-CD2 4.48Å; W41-S263 CarbonylContact C-O 3.21Å; W41-S263 VanDerWaalsContact CA-O 3.23Å; W41-S263 WeakPolarHBondContact CA-O 3.41Å; W41-S263 VanDerWaalsContact CB-O 3.24Å; W41-S263 WeakPolarHBondContact CB-O 3.38Å; W41-Y266 HydrophobicContact CD2-CD2 4.04Å; W41-Y266 AromaticContact CE2-CD2 3.75Å; W41-Y266 HydrophobicContact CE3-CD2 4.37Å; W41-Y266 HydrophobicContact CH2-CD2 4.16Å; W41-Y266 HydrophobicContact CH2-CE2 4.12Å; W41-Y266 AromaticContact CZ2-CD2 3.83Å; W41-Y266 HydrophobicContact CZ2-CD2 3.83Å; W41-Y266 AromaticContact CZ2-CE2 3.8Å; W41-Y266 HydrophobicContact CZ2-CE2 3.8Å; W41-Y266 HydrophobicContact CZ3-CD2 4.42Å; W41-R267 PolarHBondContact NE1-O 3.49Å; W41-I269 HydrophobicContact CZ2-CD1 4.35Å
42	K	97.6	Very high	91.6	Very high	105 Å²	105	52.1 Å²	52.1	46%	0.457	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.9	175.7	-64.5	-64	-179.2	-173.4	0	110.7	N34 K262 S263	N34-K42 PolarHBondContact O-NZ 2.95Å; N34-K42 WeakPolarHBondContact OD1-CA 3.44Å; N34-K42 WeakPolarHBondContact OD1-CD 3.36Å; K42-K262 WeakPolarHBondContact O-CB 3.33Å; K42-K262 PolarHBondContact O-N 3.03Å; K42-S263 PolarHBondContact N-O 3.41Å; K42-S263 PolarHBondContact O-N 3.48Å
43	A	96.6	Very high	91.1	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.9	175	0	0	0	0	0	111.1	I30 I33 N34 W41 N260	I30-A43 HydrophobicContact CB-CB 4.43Å; I30-A43 HydrophobicContact CG1-CB 4.39Å; I30-A43 HydrophobicContact CG2-CB 4.16Å; I33-A43 HydrophobicContact CB-CB 3.93Å; I33-A43 HydrophobicContact CD1-CB 3.84Å; I33-A43 HydrophobicContact CG2-CB 3.77Å; N34-A43 PolarHBondContact ND2-O 3.32Å; N34-A43 PolarHBondContact OD1-N 3.06Å; N34-A43 PolarHBondContact OD1-O 3.04Å; W41-A43 HydrophobicContact CE3-CB 4.46Å; W41-A43 HydrophobicContact CH2-CB 4.44Å; W41-A43 HydrophobicContact CZ3-CB 3.83Å; A43-N260 CarbonylContact C-O 3.5Å; A43-N260 WeakPolarHBondContact CA-O 3.01Å; A43-N260 HydrophobicContact CB-CB 4.04Å
44	S	94.4	Very high	90.6	Very high	24 Å²	24	52.5 Å²	52.5	17%	0.168	29%	0.288	C	S	.	.			trans	-145.5	168.8	165.5	60.9	0	0	0	0	111.7	Q46 N260 K262	S44-Q46 PolarHBondContact O-N 3.15Å; S44-N260 PolarHBondContact N-O 2.76Å; S44-N260 WeakPolarHBondContact O-CB 3.24Å; S44-N260 PolarHBondContact O-ND2 2.78Å; S44-N260 VanDerWaalsContact O-ND2 3.09Å; S44-K262 WeakPolarHBondContact OG-CB 3.35Å; S44-K262 WeakPolarHBondContact OG-CD 3.41Å; S44-K262 WeakPolarHBondContact OG-CG 3.31Å
45	K	91.3	Very high	90.1	Very high	138 Å²	138	50.4 Å²	50.4	60%	0.6	28%	0.277	S	S	*	.			trans	-58.9	135.2	168.1	-166.1	166.8	-172.6	162.9	0	109.9	I30	I30-K45 HydrophobicContact CD1-CB 4.31Å
46	Q	85.9	Confident	89.5	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.042	26%	0.263	C	S	.	.			trans	-125.1	150.8	176.7	-61.1	-62.7	-8.2	0	0	108.6	S44 H187 L259 Y261	S44-Q46 PolarHBondContact O-N 3.15Å; Q46-H187 PolarHBondContact OE1-O 2.5Å; Q46-L259 WeakPolarHBondContact CG-O 3.3Å; Q46-Y261 PolarHBondContact NE2-O 2.9Å
47	N	84.8	Confident	88.8	Confident	50 Å²	50	49.2 Å²	49.2	27%	0.267	27%	0.271	S	S	.	.	S	Bend	trans	-99.9	-7.7	-178.8	-84.1	4.3	0	0	0	114.3	F49 D186 H187 S189	N47-F49 PolarHBondContact O-N 2.94Å; N47-D186 PolarHBondContact ND2-OD2 3Å; N47-H187 PolarHBondContact N-O 2.91Å; N47-S189 WeakPolarHBondContact ND2-CA 3.35Å; N47-S189 VanDerWaalsContact ND2-CB 3.28Å; N47-S189 WeakPolarHBondContact ND2-CB 3.37Å; N47-S189 PolarHBondContact ND2-N 3.24Å; N47-S189 VanDerWaalsContact ND2-N 3.16Å; N47-S189 PolarHBondContact ND2-OG 2.98Å; N47-S189 PolarHBondContact OD1-OG 3.43Å
48	R	87.8	Confident	88.5	Confident	1 Å²	1	43 Å²	43	0%	0.004	23%	0.23	C	C	.	.	S	Bend	trans	-59.4	-38.8	-177.8	-177.2	155.1	176.9	54.3	3.9	113.2	S107 K108 H187	R48-S107 PolarHBondContact NH1-O 3.06Å; R48-S107 VanDerWaalsContact NH1-O 3.12Å; R48-S107 PolarHBondContact NH2-O 3.14Å; R48-K108 PolarHBondContact O-NZ 2.9Å; R48-H187 HydrophobicContact CB-CB 3.97Å; R48-H187 WeakPolarHBondContact CB-CD2 3.35Å; R48-H187 VanDerWaalsContact CD-NE2 3.32Å; R48-H187 WeakPolarHBondContact CD-NE2 3.45Å; R48-H187 WeakPolarHBondContact CG-CD2 3.47Å; R48-H187 PolarHBondContact NH1-CE1 2.72Å; R48-H187 PolarHBondContact NH1-NE2 3.29Å
49	F	85.6	Confident	88.1	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.026	21%	0.208	C	C	.	.			trans	-123.6	127.9	179.8	-52.6	-67.3	0	0	0	109.3	L25 N47 D54 V55 T58 F59 L259 W299	L25-F49 HydrophobicContact CD1-CB 3.88Å; L25-F49 WeakPolarHBondContact CD1-O 3.25Å; N47-F49 PolarHBondContact O-N 2.94Å; F49-D54 WeakPolarHBondContact CA-OD2 3.28Å; F49-V55 HydrophobicContact CB-CG2 3.68Å; F49-V55 HydrophobicContact CD1-CB 4.3Å; F49-V55 HydrophobicContact CD1-CG2 3.81Å; F49-V55 HydrophobicContact CD2-CG2 4.18Å; F49-V55 HydrophobicContact CG-CG2 3.61Å; F49-T58 HydrophobicContact CE1-CG2 4.16Å; F49-F59 AromaticContact CE1-CE2 3.7Å; F49-F59 HydrophobicContact CE1-CE2 3.7Å; F49-F59 HydrophobicContact CE1-CZ 4.32Å; F49-F59 HydrophobicContact CE2-CE2 4.36Å; F49-F59 AromaticContact CZ-CE2 3.4Å; F49-F59 HydrophobicContact CZ-CE2 3.4Å; F49-F59 VanDerWaalsContact CZ-CE2 3.4Å; F49-F59 AromaticContact CZ-CZ 3.78Å; F49-F59 HydrophobicContact CZ-CZ 3.78Å; F49-L259 HydrophobicContact CD2-CD2 3.95Å; F49-L259 HydrophobicContact CE2-CD2 3.79Å; F49-W299 HydrophobicContact CE2-CE3 4.42Å; F49-W299 HydrophobicContact CE2-CH2 4.09Å; F49-W299 HydrophobicContact CE2-CZ2 4.38Å; F49-W299 HydrophobicContact CE2-CZ3 4.11Å; F49-W299 HydrophobicContact CZ-CH2 4.43Å; F49-W299 HydrophobicContact CZ-CZ2 4.27Å
50	K	80.9	Confident	86.8	Confident	105 Å²	105	40.7 Å²	40.7	46%	0.457	22%	0.217	S	C	.	.	S	Bend	trans	-89.4	-24.3	177.1	-66.2	179	-178.9	170.1	0	113.6	D54 Y198	K50-D54 PolarHBondContact N-OD2 3.09Å; K50-Y198 HydrophobicContact CD-CE1 4.34Å; K50-Y198 PolarHBondContact NZ-OH 2.95Å; K50-Y198 VanDerWaalsContact NZ-OH 3.15Å
51	S	84.1	Confident	84.9	Confident	52 Å²	52	49.6 Å²	49.6	36%	0.364	24%	0.243	S	C	.	.	S	Bend	trans	-160.2	168.9	-176.6	68.6	0	0	0	0	109.6	S53 D54 V55	S51-S53 PolarHBondContact O-N 3.16Å; S51-S53 PolarHBondContact OG-N 3.09Å; S51-D54 VanDerWaalsContact O-CB 3.27Å; S51-D54 WeakPolarHBondContact O-CB 3.28Å; S51-D54 PolarHBondContact O-N 2.89Å; S51-D54 PolarHBondContact OG-N 3.05Å; S51-V55 PolarHBondContact O-N 3.45Å
52	I	82.7	Confident	82.9	Confident	51 Å²	51	52 Å²	52	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-34.9	172.2	-169.4	56.7	0	0	0	112.7	I24 D54 V55 Y56 V274	I24-I52 HydrophobicContact CD1-CB 4.28Å; I24-I52 HydrophobicContact CD1-CD1 3.36Å; I24-I52 HydrophobicContact CD1-CG1 3.78Å; I24-I52 HydrophobicContact CG2-CD1 4.17Å; I52-D54 PolarHBondContact O-N 3.14Å; I52-V55 HydrophobicContact CD1-CB 4.24Å; I52-V55 HydrophobicContact CD1-CG2 4.4Å; I52-V55 WeakPolarHBondContact O-CB 3.45Å; I52-V55 PolarHBondContact O-N 3.25Å; I52-V55 VanDerWaalsContact O-N 3.15Å; I52-Y56 HydrophobicContact CD1-CD1 3.92Å; I52-Y56 HydrophobicContact CD1-CE1 3.22Å; I52-Y56 HydrophobicContact CD1-CE2 4.24Å; I52-Y56 VanDerWaalsContact CD1-CZ 3.49Å; I52-Y56 HydrophobicContact CG1-CD1 4.17Å; I52-Y56 HydrophobicContact CG1-CD2 4.14Å; I52-Y56 HydrophobicContact CG1-CE1 3.54Å; I52-Y56 HydrophobicContact CG1-CE2 3.58Å; I52-Y56 HydrophobicContact CG1-CG 4.45Å; I52-Y56 PolarHBondContact O-N 2.83Å; I52-V274 HydrophobicContact CD1-CG1 3.81Å
53	S	85.2	Confident	80.6	Confident	60 Å²	60	48.4 Å²	48.4	42%	0.42	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-35.6	174.1	174.6	0	0	0	0	111.3	S51 V55 Y56 N57	S51-S53 PolarHBondContact O-N 3.16Å; S51-S53 PolarHBondContact OG-N 3.09Å; S53-V55 VanDerWaalsContact C-N 3.35Å; S53-Y56 PolarHBondContact O-N 2.98Å; S53-N57 VanDerWaalsContact O-CB 3.23Å; S53-N57 WeakPolarHBondContact O-CB 3.21Å; S53-N57 PolarHBondContact O-N 2.87Å; S53-N57 PolarHBondContact O-ND2 2.82Å; S53-N57 PolarHBondContact O-OD1 3.37Å; S53-N57 PolarHBondContact OG-ND2 3.43Å
54	D	85.5	Confident	78.4	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.064	28%	0.283	C	S	.	.	H	α-helix	trans	-67.8	-36.6	176.8	-165.8	22.4	0	0	0	112.2	F49 K50 S51 I52 T58 K108	F49-D54 WeakPolarHBondContact CA-OD2 3.28Å; K50-D54 PolarHBondContact N-OD2 3.09Å; S51-D54 VanDerWaalsContact O-CB 3.27Å; S51-D54 WeakPolarHBondContact O-CB 3.28Å; S51-D54 PolarHBondContact O-N 2.89Å; S51-D54 PolarHBondContact OG-N 3.05Å; I52-D54 PolarHBondContact O-N 3.14Å; D54-T58 WeakPolarHBondContact O-CB 2.83Å; D54-T58 PolarHBondContact O-N 3.07Å; D54-T58 PolarHBondContact O-OG1 2.62Å; D54-K108 WeakPolarHBondContact OD1-CE 3.42Å; D54-K108 IonicContact OD1-NZ 2.64Å; D54-K108 PolarHBondContact OD1-NZ 3.4Å; D54-K108 IonicContact OD2-NZ 3.17Å; D54-K108 PolarHBondContact OD2-NZ 3.07Å
55	V	86.6	Confident	76.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-52	172.7	-174.7	0	0	0	0	110	F49 S51 I52 S53 N57 T58 F59 Y62 L259 V274	F49-V55 HydrophobicContact CB-CG2 3.68Å; F49-V55 HydrophobicContact CD1-CB 4.3Å; F49-V55 HydrophobicContact CD1-CG2 3.81Å; F49-V55 HydrophobicContact CD2-CG2 4.18Å; F49-V55 HydrophobicContact CG-CG2 3.61Å; S51-V55 PolarHBondContact O-N 3.45Å; I52-V55 HydrophobicContact CD1-CB 4.24Å; I52-V55 HydrophobicContact CD1-CG2 4.4Å; I52-V55 WeakPolarHBondContact O-CB 3.45Å; I52-V55 PolarHBondContact O-N 3.25Å; I52-V55 VanDerWaalsContact O-N 3.15Å; S53-V55 VanDerWaalsContact C-N 3.35Å; V55-N57 VanDerWaalsContact C-N 3.34Å; V55-N57 PolarHBondContact O-N 2.73Å; V55-T58 PolarHBondContact O-N 3.09Å; V55-F59 HydrophobicContact CG1-CD2 3.83Å; V55-F59 HydrophobicContact CG1-CE2 4.14Å; V55-F59 WeakPolarHBondContact O-CD2 3.24Å; V55-F59 PolarHBondContact O-N 2.79Å; V55-Y62 WeakPolarHBondContact CG1-OH 3.23Å; V55-L259 HydrophobicContact CG1-CD1 4.34Å; V55-L259 HydrophobicContact CG2-CD1 3.65Å; V55-V274 HydrophobicContact CG1-CB 4.18Å; V55-V274 HydrophobicContact CG1-CG2 4.22Å
56	Y	84.5	Confident	75	Confident	83 Å²	83	56.7 Å²	56.7	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-65.5	-35.8	-178.2	-62.7	-10.3	0	0	0	112.4	I52 S53 T58 G60 Y62 Q272 V274	I52-Y56 HydrophobicContact CD1-CD1 3.92Å; I52-Y56 HydrophobicContact CD1-CE1 3.22Å; I52-Y56 HydrophobicContact CD1-CE2 4.24Å; I52-Y56 VanDerWaalsContact CD1-CZ 3.49Å; I52-Y56 HydrophobicContact CG1-CD1 4.17Å; I52-Y56 HydrophobicContact CG1-CD2 4.14Å; I52-Y56 HydrophobicContact CG1-CE1 3.54Å; I52-Y56 HydrophobicContact CG1-CE2 3.58Å; I52-Y56 HydrophobicContact CG1-CG 4.45Å; I52-Y56 PolarHBondContact O-N 2.83Å; S53-Y56 PolarHBondContact O-N 2.98Å; Y56-T58 VanDerWaalsContact C-N 3.3Å; Y56-T58 PolarHBondContact O-N 2.94Å; Y56-G60 CarbonylContact O-C 3.43Å; Y56-G60 VanDerWaalsContact O-CA 3.26Å; Y56-G60 WeakPolarHBondContact O-CA 3.41Å; Y56-G60 PolarHBondContact O-N 3.4Å; Y56-Y62 HydrophobicContact CD1-CD2 4.22Å; Y56-Y62 AromaticContact CD1-CE2 3.25Å; Y56-Y62 HydrophobicContact CD1-CE2 3.25Å; Y56-Y62 AromaticContact CD1-CZ 3.82Å; Y56-Y62 HydrophobicContact CE1-CD2 4.11Å; Y56-Y62 AromaticContact CE1-CE2 3.29Å; Y56-Y62 HydrophobicContact CE1-CE2 3.29Å; Y56-Y62 HydrophobicContact CG-CE2 4.32Å; Y56-Q272 PolarHBondContact OH-NE2 3.33Å; Y56-Q272 VanDerWaalsContact OH-NE2 3.14Å; Y56-V274 HydrophobicContact CE1-CB 4.5Å; Y56-V274 HydrophobicContact CE1-CG1 4.34Å
57	N	82.1	Confident	73.8	Confident	95 Å²	95	57.2 Å²	57.2	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-67.1	-34.9	173.7	-69.8	-15.6	0	0	0	111.2	S53 V55 T200	S53-N57 VanDerWaalsContact O-CB 3.23Å; S53-N57 WeakPolarHBondContact O-CB 3.21Å; S53-N57 PolarHBondContact O-N 2.87Å; S53-N57 PolarHBondContact O-ND2 2.82Å; S53-N57 PolarHBondContact O-OD1 3.37Å; S53-N57 PolarHBondContact OG-ND2 3.43Å; V55-N57 VanDerWaalsContact C-N 3.34Å; V55-N57 PolarHBondContact O-N 2.73Å; N57-T200 HydrophobicContact CB-CG2 4.13Å; N57-T200 VanDerWaalsContact O-CG2 3.24Å; N57-T200 WeakPolarHBondContact O-CG2 3.41Å
58	T	82.9	Confident	72.8	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-74	-40.6	-179.2	-56.4	0	0	0	0	112.5	F49 D54 V55 Y56 K108 D110	F49-T58 HydrophobicContact CE1-CG2 4.16Å; D54-T58 WeakPolarHBondContact O-CB 2.83Å; D54-T58 PolarHBondContact O-N 3.07Å; D54-T58 PolarHBondContact O-OG1 2.62Å; V55-T58 PolarHBondContact O-N 3.09Å; Y56-T58 VanDerWaalsContact C-N 3.3Å; Y56-T58 PolarHBondContact O-N 2.94Å; T58-K108 HydrophobicContact CG2-CD 4.39Å; T58-K108 PolarHBondContact OG1-NZ 2.81Å; T58-D110 WeakPolarHBondContact O-CB 3.27Å; T58-D110 PolarHBondContact O-N 2.69Å
59	F	82.8	Confident	71.6	Confident	1 Å²	1	68.6 Å²	68.6	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-105	0.7	-174.4	-63.2	-70.1	0	0	0	114.6	F49 V55 Y62 D110 T275 W299	F49-F59 AromaticContact CE1-CE2 3.7Å; F49-F59 HydrophobicContact CE1-CE2 3.7Å; F49-F59 HydrophobicContact CE1-CZ 4.32Å; F49-F59 HydrophobicContact CE2-CE2 4.36Å; F49-F59 AromaticContact CZ-CE2 3.4Å; F49-F59 HydrophobicContact CZ-CE2 3.4Å; F49-F59 VanDerWaalsContact CZ-CE2 3.4Å; F49-F59 AromaticContact CZ-CZ 3.78Å; F49-F59 HydrophobicContact CZ-CZ 3.78Å; V55-F59 HydrophobicContact CG1-CD2 3.83Å; V55-F59 HydrophobicContact CG1-CE2 4.14Å; V55-F59 WeakPolarHBondContact O-CD2 3.24Å; V55-F59 PolarHBondContact O-N 2.79Å; F59-Y62 HydrophobicContact CB-CE1 3.79Å; F59-D110 WeakPolarHBondContact CD1-OD1 3.27Å; F59-T275 WeakPolarHBondContact CB-OG1 3.32Å; F59-T275 HydrophobicContact CD1-CG2 4.1Å; F59-T275 HydrophobicContact CD2-CG2 3.88Å; F59-T275 HydrophobicContact CE1-CG2 4.22Å; F59-T275 HydrophobicContact CE2-CG2 3.99Å; F59-T275 HydrophobicContact CG-CG2 3.94Å; F59-T275 HydrophobicContact CZ-CG2 4.19Å; F59-W299 HydrophobicContact CE1-CZ2 4.43Å; F59-W299 HydrophobicContact CE2-CZ2 4.33Å; F59-W299 AromaticContact CZ-CE2 3.98Å; F59-W299 AromaticContact CZ-CZ2 3.57Å; F59-W299 HydrophobicContact CZ-CZ2 3.57Å; F59-W299 AromaticContact CZ-NE1 3.97Å
60	G	67.5	Low	70.7	Confident	23 Å²	23	71.9 Å²	71.9	24%	0.237	36%	0.361	C	S	.	.			trans	68.5	-167.1	-173.8	0	0	0	0	0	113.4	Y56	Y56-G60 CarbonylContact O-C 3.43Å; Y56-G60 VanDerWaalsContact O-CA 3.26Å; Y56-G60 WeakPolarHBondContact O-CA 3.41Å; Y56-G60 PolarHBondContact O-N 3.4Å
61	Y	56.2	Low	70.6	Confident	216 Å²	216	69.8 Å²	69.8	85%	0.847	36%	0.355	S	S	*	.			trans	-82.8	128.3	-178	-175.4	-92.4	0	0	0	111.6	G63	Y61-G63 PolarHBondContact O-N 3.25Å
62	Y	56.2	Low	70.9	Confident	55 Å²	55	68 Å²	68	22%	0.216	34%	0.34	C	S	.	.			trans	-73	91.4	-179.8	-52	-54.3	0	0	0	112.5	V55 Y56 F59 V274 T275	V55-Y62 WeakPolarHBondContact CG1-OH 3.23Å; Y56-Y62 HydrophobicContact CD1-CD2 4.22Å; Y56-Y62 AromaticContact CD1-CE2 3.25Å; Y56-Y62 HydrophobicContact CD1-CE2 3.25Å; Y56-Y62 AromaticContact CD1-CZ 3.82Å; Y56-Y62 HydrophobicContact CE1-CD2 4.11Å; Y56-Y62 AromaticContact CE1-CE2 3.29Å; Y56-Y62 HydrophobicContact CE1-CE2 3.29Å; Y56-Y62 HydrophobicContact CG-CE2 4.32Å; F59-Y62 HydrophobicContact CB-CE1 3.79Å; Y62-V274 WeakPolarHBondContact CD1-O 3.23Å; Y62-V274 WeakPolarHBondContact CD2-O 3.43Å; Y62-V274 VanDerWaalsContact CE1-C 3.5Å; Y62-V274 WeakPolarHBondContact CE1-O 3.44Å; Y62-V274 HydrophobicContact CE2-CB 4.16Å; Y62-V274 WeakPolarHBondContact CE2-O 3.48Å; Y62-T275 WeakPolarHBondContact CE1-OG1 3.28Å
63	G	49.9	Very low	71.4	Confident	31 Å²	31	70 Å²	70	32%	0.32	36%	0.359	S	S	.	.			trans	-99.5	144.8	156	0	0	0	0	0	109.4	Y61 R65	Y61-G63 PolarHBondContact O-N 3.25Å; G63-R65 PolarHBondContact O-N 2.96Å
64	I	50.4	Low	71.9	Confident	156 Å²	156	71.5 Å²	71.5	80%	0.8	37%	0.366	S	S	*	.	S	Bend	trans	-65.9	53.1	178.8	-51.9	162.8	0	0	0	111.2
65	R	55.9	Low	72.4	Confident	170 Å²	170	73.4 Å²	73.4	64%	0.642	38%	0.376	S	S	*	.			trans	-138.7	31	-169.2	-68.3	-170.9	174.2	-173.1	0.1	112.5	G63 F156	G63-R65 PolarHBondContact O-N 2.96Å; R65-F156 HydrophobicContact CB-CZ 4.49Å; R65-F156 WeakPolarHBondContact O-CE1 3.31Å; R65-F156 WeakPolarHBondContact O-CZ 3.47Å
66	H	57.2	Low	72.9	Confident	12 Å²	12	75.7 Å²	75.7	6%	0.056	39%	0.392	C	S	.	.	S	Bend	trans	-90.4	-21.6	173.4	-75.6	-70.1	0	0	0	114	D110 I154 G155 I276	H66-D110 IonicContact CE1-OD2 2.75Å; H66-I154 VanDerWaalsContact CE1-CG1 3.45Å; H66-I154 WeakPolarHBondContact CE1-CG1 3.48Å; H66-G155 PolarHBondContact ND1-O 3.34Å; H66-I276 HydrophobicContact CB-CB 3.92Å; H66-I276 HydrophobicContact CB-CD1 4.28Å; H66-I276 HydrophobicContact CB-CG2 3.72Å
67	F	61.9	Low	73.5	Confident	21 Å²	21	72.6 Å²	72.6	9%	0.092	38%	0.38	C	S	.	.			trans	-129.5	138.6	175	-64.2	-74.3	0	0	0	110.3	I276 F323	F67-I276 HydrophobicContact CD2-CG2 3.74Å; F67-I276 HydrophobicContact CE2-CG2 3.38Å; F67-F323 HydrophobicContact CB-CB 4.29Å; F67-F323 HydrophobicContact CB-CD1 3.33Å; F67-F323 HydrophobicContact CB-CD2 4.21Å; F67-F323 HydrophobicContact CB-CE1 3.54Å; F67-F323 HydrophobicContact CB-CE2 4.39Å; F67-F323 HydrophobicContact CB-CG 3.68Å; F67-F323 HydrophobicContact CB-CZ 4.08Å; F67-F323 HydrophobicContact CD1-CB 3.73Å; F67-F323 HydrophobicContact CD1-CD1 4.31Å; F67-F323 HydrophobicContact CD1-CG 4.07Å; F67-F323 HydrophobicContact CD2-CB 4.04Å; F67-F323 HydrophobicContact CD2-CD1 4.37Å; F67-F323 AromaticContact CD2-CD2 3.8Å; F67-F323 HydrophobicContact CD2-CD2 3.8Å; F67-F323 HydrophobicContact CD2-CE2 4.33Å; F67-F323 AromaticContact CD2-CG 3.81Å; F67-F323 HydrophobicContact CD2-CG 3.81Å; F67-F323 HydrophobicContact CE1-CB 4.06Å; F67-F323 HydrophobicContact CE2-CB 4.35Å; F67-F323 HydrophobicContact CE2-CD2 4.46Å; F67-F323 HydrophobicContact CG-CB 3.74Å; F67-F323 AromaticContact CG-CD1 3.76Å; F67-F323 HydrophobicContact CG-CD1 3.76Å; F67-F323 HydrophobicContact CG-CD2 4.03Å; F67-F323 HydrophobicContact CG-CE1 4.35Å; F67-F323 AromaticContact CG-CG 3.56Å; F67-F323 HydrophobicContact CG-CG 3.56Å; F67-F323 HydrophobicContact CZ-CB 4.38Å
68	R	62.3	Low	74	Confident	120 Å²	120	73.6 Å²	73.6	45%	0.453	38%	0.382	S	S	.	.			trans	-122.8	108	177.2	-74.3	-175.3	-177.1	-169	4.7	108.5	G70 I71 F156 E158	R68-G70 PolarHBondContact O-N 3Å; R68-I71 HydrophobicContact CB-CD1 3.6Å; R68-I71 HydrophobicContact CB-CG1 4.02Å; R68-I71 HydrophobicContact CG-CD1 4.39Å; R68-F156 HydrophobicContact CG-CD1 4.17Å; R68-F156 HydrophobicContact CG-CE1 3.87Å; R68-E158 PolarHBondContact N-OE1 2.85Å
69	K	63.4	Low	74.5	Confident	170 Å²	170	81.4 Å²	81.4	74%	0.739	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	134.2	170.2	-67.3	-171.8	175.3	-177.4	0	109.6	F323	K69-F323 HydrophobicContact CG-CE1 4.09Å
70	G	66.1	Low	75	Confident	75 Å²	75	85.8 Å²	85.8	77%	0.773	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	6.5	172.9	0	0	0	0	0	116.9	R68	R68-G70 PolarHBondContact O-N 3Å
71	I	78.8	Confident	76.3	Confident	61 Å²	61	92.7 Å²	92.7	31%	0.313	48%	0.476	S	S	.	.	S	Bend	trans	-76.2	-44.1	170.5	-63.5	177.4	0	0	0	111.1	R68 E158 F159	R68-I71 HydrophobicContact CB-CD1 3.6Å; R68-I71 HydrophobicContact CB-CG1 4.02Å; R68-I71 HydrophobicContact CG-CD1 4.39Å; I71-E158 HydrophobicContact CB-CB 3.88Å; I71-E158 HydrophobicContact CB-CG 4.18Å; I71-E158 HydrophobicContact CD1-CB 4.03Å; I71-E158 HydrophobicContact CD1-CG 4.44Å; I71-E158 HydrophobicContact CG2-CB 3.75Å; I71-F159 HydrophobicContact CD1-CD1 4.26Å; I71-F159 HydrophobicContact CD1-CE1 3.66Å; I71-F159 HydrophobicContact CD1-CZ 4.1Å; I71-F159 HydrophobicContact CG2-CE1 4.45Å
72	L	90.5	Very high	78	Confident	13 Å²	13	84.7 Å²	84.7	7%	0.068	45%	0.447	C	S	.	.	S	Bend	trans	-102.5	148.2	176.8	-51.2	-175.8	0	0	0	109.7	E158 W161 I228 N325	L72-E158 HydrophobicContact CD1-CB 4.3Å; L72-E158 HydrophobicContact CD1-CG 4.29Å; L72-E158 HydrophobicContact CD2-CB 4.37Å; L72-E158 HydrophobicContact CG-CB 4.03Å; L72-E158 HydrophobicContact CG-CG 4.12Å; L72-W161 HydrophobicContact CD1-CB 4.31Å; L72-I228 HydrophobicContact CD2-CD1 3.53Å; L72-I228 HydrophobicContact CD2-CG1 3.89Å; L72-N325 HydrophobicContact CD1-CB 4.33Å
73	S	93.8	Very high	79.9	Confident	94 Å²	94	90.7 Å²	90.7	66%	0.657	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-64.8	135.4	170	-59.9	0	0	0	0	110	Y229 S230	S73-Y229 WeakPolarHBondContact O-CA 3.4Å; S73-Y229 WeakPolarHBondContact O-CB 3.39Å; S73-S230 PolarHBondContact O-N 2.86Å
74	T	95.8	Very high	82.1	Confident	91 Å²	91	91 Å²	91	56%	0.558	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.5	175	-55.2	0	0	0	0	110.3	S230 R232	T74-S230 CarbonylContact C-O 3.1Å; T74-S230 VanDerWaalsContact CA-O 3.27Å; T74-S230 WeakPolarHBondContact CA-O 3.33Å; T74-R232 HydrophobicContact CG2-CB 4.07Å
75	I	96.2	Very high	84.4	Confident	52 Å²	52	86 Å²	86	27%	0.267	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	160.3	171.9	69.7	163.2	0	0	0	111.3	Y229 S230 L231 R232	I75-Y229 HydrophobicContact CD1-CD1 4.2Å; I75-Y229 HydrophobicContact CD1-CD2 3.33Å; I75-Y229 HydrophobicContact CD1-CE1 4.24Å; I75-Y229 HydrophobicContact CD1-CE2 3.36Å; I75-Y229 HydrophobicContact CD1-CG 3.77Å; I75-Y229 HydrophobicContact CG1-CD2 3.6Å; I75-Y229 HydrophobicContact CG1-CE2 4.12Å; I75-Y229 HydrophobicContact CG1-CG 3.99Å; I75-Y229 HydrophobicContact CG2-CG 4.17Å; I75-S230 PolarHBondContact N-O 2.93Å; I75-L231 HydrophobicContact CD1-CD2 3.96Å; I75-L231 HydrophobicContact CG1-CD2 3.74Å; I75-R232 PolarHBondContact O-N 3.11Å
76	S	96.7	Very high	86.4	Confident	49 Å²	49	83.3 Å²	83.3	34%	0.343	45%	0.447	S	S	.	.			trans	-129.3	150.4	174.7	176.4	0	0	0	0	108.2	E78 R232 D237	S76-E78 WeakPolarHBondContact OG-CG 3.27Å; S76-E78 PolarHBondContact OG-N 3.36Å; S76-E78 PolarHBondContact OG-OE2 3.44Å; S76-R232 PolarHBondContact OG-NH2 2.84Å; S76-D237 PolarHBondContact OG-OD2 3.2Å
77	H	96.6	Very high	88.4	Confident	17 Å²	17	87.6 Å²	87.6	8%	0.079	46%	0.463	C	S	.	.			trans	-113.9	26.9	174.4	-66.2	-54.9	0	0	0	110.6	D79 E80 D237 K240 E241 M244	H77-D79 VanDerWaalsContact C-N 3.3Å; H77-D79 PolarHBondContact O-N 2.82Å; H77-E80 HydrophobicContact CB-CB 4.37Å; H77-E80 HydrophobicContact CB-CG 4.06Å; H77-E80 WeakPolarHBondContact O-CB 3.19Å; H77-E80 PolarHBondContact O-N 3.42Å; H77-D237 WeakPolarHBondContact CA-OD1 2.72Å; H77-D237 HydrophobicContact CB-CB 4.49Å; H77-D237 PolarHBondContact CD2-O 3.2Å; H77-D237 PolarHBondContact N-OD1 3.42Å; H77-K240 HydrophobicContact CB-CB 3.87Å; H77-K240 HydrophobicContact CB-CD 3.72Å; H77-K240 HydrophobicContact CB-CG 4.46Å; H77-K240 VanDerWaalsContact O-CD 3.22Å; H77-K240 WeakPolarHBondContact O-CD 3.35Å; H77-K240 PolarHBondContact O-NZ 3.35Å; H77-E241 IonicContact CD2-OE2 2.77Å; H77-E241 IonicContact CE1-OE2 3.9Å; H77-E241 PolarHBondContact CE1-OE2 2.7Å; H77-E241 IonicContact NE2-OE2 3.4Å; H77-E241 PolarHBondContact NE2-OE2 3.45Å; H77-M244 HydrophobicContact CB-CE 4.39Å
78	E	92.3	Very high	90.1	Very high	116 Å²	116	87.4 Å²	87.4	54%	0.542	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-43.7	179.3	-86.9	173.7	152	0	0	113.4	S76 E80 R232 D237	S76-E78 WeakPolarHBondContact OG-CG 3.27Å; S76-E78 PolarHBondContact OG-N 3.36Å; S76-E78 PolarHBondContact OG-OE2 3.44Å; E78-E80 PolarHBondContact O-N 3.2Å; E78-R232 IonicContact OE1-CZ 3.56Å; E78-R232 IonicContact OE1-NH1 3.09Å; E78-R232 PolarHBondContact OE1-NH1 3.12Å; E78-R232 IonicContact OE1-NH2 2.83Å; E78-R232 PolarHBondContact OE1-NH2 3.14Å; E78-R232 IonicContact OE2-CZ 2.64Å; E78-R232 IonicContact OE2-NH1 3.48Å; E78-R232 PolarHBondContact OE2-NH1 3.1Å; E78-R232 IonicContact OE2-NH2 2.6Å; E78-D237 PolarHBondContact N-OD1 2.93Å
79	D	93.5	Very high	91.9	Very high	167 Å²	167	82 Å²	82	89%	0.893	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.9	-176.2	-59.4	-40.6	0	0	0	113	H77 N81	H77-D79 VanDerWaalsContact C-N 3.3Å; H77-D79 PolarHBondContact O-N 2.82Å; D79-N81 PolarHBondContact O-N 3Å
80	E	93.5	Very high	93.6	Very high	93 Å²	93	73.9 Å²	73.9	44%	0.435	41%	0.407	S	S	.	.			trans	-76.1	113.7	177.5	-64	-65.9	165.7	0	0	110.5	H77 E78 I82 K240 M244	H77-E80 HydrophobicContact CB-CB 4.37Å; H77-E80 HydrophobicContact CB-CG 4.06Å; H77-E80 WeakPolarHBondContact O-CB 3.19Å; H77-E80 PolarHBondContact O-N 3.42Å; E78-E80 PolarHBondContact O-N 3.2Å; E80-I82 VanDerWaalsContact C-N 3.27Å; E80-I82 HydrophobicContact CB-CD1 4.15Å; E80-I82 HydrophobicContact CB-CG1 4.31Å; E80-I82 PolarHBondContact O-N 3.34Å; E80-K240 HydrophobicContact CB-CD 4.21Å; E80-K240 PolarHBondContact O-NZ 3.16Å; E80-M244 HydrophobicContact CG-CE 4.2Å; E80-M244 HydrophobicContact CG-SD 4.37Å
81	N	94.2	Very high	95.1	Very high	168 Å²	168	73.5 Å²	73.5	90%	0.898	38%	0.382	S	S	*	.			trans	-81.9	69.7	179	-170.2	20.1	0	0	0	111.7	D79	D79-N81 PolarHBondContact O-N 3Å
82	I	93.5	Very high	96	Very high	47 Å²	47	75.7 Å²	75.7	24%	0.241	39%	0.391	C	S	.	.			trans	-111.8	122.5	-179.9	-61.2	173.1	0	0	0	109.3	E80 L84 M243 M244	E80-I82 VanDerWaalsContact C-N 3.27Å; E80-I82 HydrophobicContact CB-CD1 4.15Å; E80-I82 HydrophobicContact CB-CG1 4.31Å; E80-I82 PolarHBondContact O-N 3.34Å; I82-L84 HydrophobicContact CG2-CD2 4.44Å; I82-L84 PolarHBondContact O-N 3.03Å; I82-M243 HydrophobicContact CG2-CE 3.55Å; I82-M243 HydrophobicContact CG2-SD 4.4Å; I82-M244 HydrophobicContact CD1-CE 4.19Å; I82-M244 HydrophobicContact CD1-CG 3.55Å; I82-M244 HydrophobicContact CD1-SD 3.41Å; I82-M244 WeakPolarHBondContact CD1-SD 3.45Å
83	Q	95.3	Very high	96.4	Very high	181 Å²	181	80.5 Å²	80.5	85%	0.846	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-72.6	118.3	170.1	-175.2	176.9	-5.1	0	0	109.5	P85	Q83-P85 WeakPolarHBondContact O-CD 3.22Å
84	L	97	Very high	96.6	Very high	37 Å²	37	78.2 Å²	78.2	19%	0.194	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-84.3	118.6	-178.3	-65.3	177.7	0	0	0	110.8	I82 R239 K240 M243	I82-L84 HydrophobicContact CG2-CD2 4.44Å; I82-L84 PolarHBondContact O-N 3.03Å; L84-R239 HydrophobicContact CD1-CB 3.96Å; L84-R239 HydrophobicContact CD2-CB 3.78Å; L84-R239 HydrophobicContact CG-CB 4.47Å; L84-K240 HydrophobicContact CD1-CG 4.45Å; L84-K240 HydrophobicContact CD2-CG 3.73Å; L84-K240 HydrophobicContact CG-CG 4.39Å; L84-M243 HydrophobicContact CD2-SD 3.61Å
85	P	98	Very high	96.7	Very high	51 Å²	51	81.6 Å²	81.6	33%	0.331	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-72.9	155.4	175.8	32.5	-36.2	0	0	0	111.1	Q83 Y87 R239 M243 W284	Q83-P85 WeakPolarHBondContact O-CD 3.22Å; P85-Y87 WeakPolarHBondContact CG-O 3.31Å; P85-Y87 PolarHBondContact O-N 2.82Å; P85-R239 PolarHBondContact O-NH2 3.41Å; P85-M243 WeakPolarHBondContact CD-SD 3.43Å; P85-M243 HydrophobicContact CG-CE 4.3Å; P85-M243 HydrophobicContact CG-SD 4.18Å; P85-W284 HydrophobicContact CG-CZ2 4.26Å; P85-W284 PolarHBondContact O-NE1 2.87Å
86	D	97.9	Very high	96.8	Very high	114 Å²	114	84.8 Å²	84.8	61%	0.61	42%	0.415	S	S	*	.	S	Bend	trans	-67.7	-22.3	178.2	-69.1	-26.4	0	0	0	113.6	G285 I286	D86-G285 WeakPolarHBondContact O-CA 3.47Å; D86-I286 HydrophobicContact CB-CD1 4.14Å
87	Y	98.7	Very high	96.9	Very high	102 Å²	102	82.6 Å²	82.6	40%	0.4	40%	0.4	S	S	.	.			trans	-130.4	139.1	177.4	176.4	-97.9	0	0	0	110.7	P85 D89 E92 W284	P85-Y87 WeakPolarHBondContact CG-O 3.31Å; P85-Y87 PolarHBondContact O-N 2.82Å; Y87-D89 HydrophobicContact CE1-CB 4.18Å; Y87-E92 PolarHBondContact OH-OE1 2.99Å; Y87-W284 WeakPolarHBondContact CA-O 3.29Å; Y87-W284 WeakPolarHBondContact CD2-O 3.37Å
88	F	98.8	Very high	96.9	Very high	18 Å²	18	85.1 Å²	85.1	8%	0.079	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	135	170.7	-175.2	-93.3	0	0	0	109.6	Q93 W94 I242 M243 G283 W284	F88-Q93 HydrophobicContact CE2-CB 3.97Å; F88-Q93 HydrophobicContact CE2-CG 3.96Å; F88-Q93 HydrophobicContact CZ-CB 3.77Å; F88-Q93 HydrophobicContact CZ-CG 3.83Å; F88-W94 HydrophobicContact CE1-CH2 4.15Å; F88-W94 AromaticContact CE1-CZ3 3.83Å; F88-W94 HydrophobicContact CE1-CZ3 3.83Å; F88-W94 AromaticContact CZ-CH2 3.58Å; F88-W94 HydrophobicContact CZ-CH2 3.58Å; F88-W94 AromaticContact CZ-CZ3 3.57Å; F88-W94 HydrophobicContact CZ-CZ3 3.57Å; F88-I242 HydrophobicContact CD1-CG2 3.88Å; F88-I242 HydrophobicContact CE1-CG2 3.66Å; F88-M243 HydrophobicContact CD1-CG 4.49Å; F88-M243 HydrophobicContact CD2-CG 3.65Å; F88-M243 HydrophobicContact CE1-CG 4.47Å; F88-M243 HydrophobicContact CE2-CB 4.47Å; F88-M243 HydrophobicContact CE2-CG 3.61Å; F88-M243 HydrophobicContact CG-CG 4.11Å; F88-M243 HydrophobicContact CZ-CG 4.04Å; F88-G283 CarbonylContact O-C 3.51Å; F88-G283 WeakPolarHBondContact O-CA 3.37Å; F88-W284 HydrophobicContact CB-CD2 3.74Å; F88-W284 VanDerWaalsContact CB-CE2 3.43Å; F88-W284 HydrophobicContact CB-CE3 3.9Å; F88-W284 HydrophobicContact CB-CH2 3.61Å; F88-W284 HydrophobicContact CB-CZ2 3.39Å; F88-W284 HydrophobicContact CB-CZ3 3.82Å; F88-W284 HydrophobicContact CD1-CE3 4.26Å; F88-W284 AromaticContact CD1-CH2 3.97Å; F88-W284 HydrophobicContact CD1-CH2 3.97Å; F88-W284 AromaticContact CD1-CZ3 3.73Å; F88-W284 HydrophobicContact CD1-CZ3 3.73Å; F88-W284 HydrophobicContact CD2-CH2 4.47Å; F88-W284 HydrophobicContact CG-CE3 4.44Å; F88-W284 AromaticContact CG-CH2 3.77Å; F88-W284 HydrophobicContact CG-CH2 3.77Å; F88-W284 HydrophobicContact CG-CZ2 4.01Å; F88-W284 AromaticContact CG-CZ3 3.96Å; F88-W284 HydrophobicContact CG-CZ3 3.96Å; F88-W284 PolarHBondContact N-O 3.47Å; F88-W284 PolarHBondContact O-N 2.6Å
89	D	98.8	Very high	97.2	Very high	5 Å²	5	80 Å²	80	3%	0.027	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	118.2	172.6	-169.7	-34.1	0	0	0	109.3	Y87 R91 E92 Q93 L294	Y87-D89 HydrophobicContact CE1-CB 4.18Å; D89-R91 PolarHBondContact O-N 3.4Å; D89-R91 VanDerWaalsContact O-N 3.11Å; D89-R91 VanDerWaalsContact OD1-CB 3.24Å; D89-R91 WeakPolarHBondContact OD1-CB 3.29Å; D89-R91 WeakPolarHBondContact OD1-CG 3.02Å; D89-R91 IonicContact OD1-CZ 2.72Å; D89-R91 PolarHBondContact OD1-N 3.34Å; D89-R91 IonicContact OD1-NE 3.92Å; D89-R91 PolarHBondContact OD1-NE 2.95Å; D89-R91 IonicContact OD2-CZ 2.63Å; D89-R91 VanDerWaalsContact OD2-CZ 3.26Å; D89-R91 IonicContact OD2-NE 3.26Å; D89-R91 PolarHBondContact OD2-NE 3.15Å; D89-R91 IonicContact OD2-NH2 3.09Å; D89-R91 PolarHBondContact OD2-NH2 3.14Å; D89-E92 HydrophobicContact CB-CB 4.37Å; D89-E92 HydrophobicContact CB-CG 4.09Å; D89-E92 PolarHBondContact O-N 2.94Å; D89-Q93 PolarHBondContact O-N 3.17Å; D89-L294 WeakPolarHBondContact OD2-CD2 3.02Å
90	S	98.8	Very high	97.4	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.4	-28.3	-179.3	-65.7	0	0	0	0	112.7	E92 Q93 W94 I100 I282	S90-E92 VanDerWaalsContact C-N 3.32Å; S90-Q93 PolarHBondContact O-N 2.64Å; S90-W94 PolarHBondContact O-N 3.18Å; S90-W94 WeakPolarHBondContact OG-CZ3 3.32Å; S90-I100 WeakPolarHBondContact O-CD1 3.36Å; S90-I282 WeakPolarHBondContact CB-O 3.04Å; S90-I282 PolarHBondContact N-O 3.42Å; S90-I282 PolarHBondContact OG-O 2.47Å
91	R	98.7	Very high	97.7	Very high	67 Å²	67	71.5 Å²	71.5	25%	0.253	35%	0.352	S	S	.	.	H	α-helix	trans	-69.2	-33.5	178.3	-57.9	171.6	-65.6	172.6	5.9	111.8	D89 I100 N101 I282 Y308	D89-R91 PolarHBondContact O-N 3.4Å; D89-R91 VanDerWaalsContact O-N 3.11Å; D89-R91 VanDerWaalsContact OD1-CB 3.24Å; D89-R91 WeakPolarHBondContact OD1-CB 3.29Å; D89-R91 WeakPolarHBondContact OD1-CG 3.02Å; D89-R91 IonicContact OD1-CZ 2.72Å; D89-R91 PolarHBondContact OD1-N 3.34Å; D89-R91 IonicContact OD1-NE 3.92Å; D89-R91 PolarHBondContact OD1-NE 2.95Å; D89-R91 IonicContact OD2-CZ 2.63Å; D89-R91 VanDerWaalsContact OD2-CZ 3.26Å; D89-R91 IonicContact OD2-NE 3.26Å; D89-R91 PolarHBondContact OD2-NE 3.15Å; D89-R91 IonicContact OD2-NH2 3.09Å; D89-R91 PolarHBondContact OD2-NH2 3.14Å; R91-I100 HydrophobicContact CB-CG2 4.47Å; R91-I100 HydrophobicContact CG-CB 4.24Å; R91-I100 HydrophobicContact CG-CG2 3.55Å; R91-N101 VanDerWaalsContact CD-OD1 3.25Å; R91-N101 WeakPolarHBondContact CD-OD1 3.18Å; R91-I282 HydrophobicContact CG-CD1 4.14Å; R91-Y308 VanDerWaalsContact NH1-CZ 3.33Å; R91-Y308 PolarHBondContact NH1-OH 3.32Å
92	E	98.5	Very high	97.8	Very high	107 Å²	107	65.6 Å²	65.6	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-79.8	-37.1	177.3	-65	-179.8	-154.2	0	0	111.6	Y87 D89 S90 K95	Y87-E92 PolarHBondContact OH-OE1 2.99Å; D89-E92 HydrophobicContact CB-CB 4.37Å; D89-E92 HydrophobicContact CB-CG 4.09Å; D89-E92 PolarHBondContact O-N 2.94Å; S90-E92 VanDerWaalsContact C-N 3.32Å; E92-K95 VanDerWaalsContact O-CE 3.32Å; E92-K95 WeakPolarHBondContact O-CE 3.38Å; E92-K95 WeakPolarHBondContact O-CG 3.39Å
93	Q	98.3	Very high	98	Very high	115 Å²	115	64 Å²	64	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-69.8	-43.4	179.5	-178.8	61.7	23.7	0	0	112.3	F88 D89 S90	F88-Q93 HydrophobicContact CE2-CB 3.97Å; F88-Q93 HydrophobicContact CE2-CG 3.96Å; F88-Q93 HydrophobicContact CZ-CB 3.77Å; F88-Q93 HydrophobicContact CZ-CG 3.83Å; D89-Q93 PolarHBondContact O-N 3.17Å; S90-Q93 PolarHBondContact O-N 2.64Å
94	W	98.5	Very high	98.1	Very high	45 Å²	45	57.9 Å²	57.9	17%	0.17	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	63.6	-176.1	-60.7	-75.7	0	0	0	111.6	F88 S90 D96 C97 I100 I127 I242 M243	F88-W94 HydrophobicContact CE1-CH2 4.15Å; F88-W94 AromaticContact CE1-CZ3 3.83Å; F88-W94 HydrophobicContact CE1-CZ3 3.83Å; F88-W94 AromaticContact CZ-CH2 3.58Å; F88-W94 HydrophobicContact CZ-CH2 3.58Å; F88-W94 AromaticContact CZ-CZ3 3.57Å; F88-W94 HydrophobicContact CZ-CZ3 3.57Å; S90-W94 PolarHBondContact O-N 3.18Å; S90-W94 WeakPolarHBondContact OG-CZ3 3.32Å; W94-D96 PolarHBondContact O-N 3.41Å; W94-D96 VanDerWaalsContact O-N 3.11Å; W94-C97 HydrophobicContact CB-CB 4.14Å; W94-C97 WeakPolarHBondContact O-CB 3.33Å; W94-C97 PolarHBondContact O-N 3.3Å; W94-I100 HydrophobicContact CB-CD1 3.74Å; W94-I100 HydrophobicContact CE3-CD1 4.33Å; W94-I127 HydrophobicContact CB-CG1 4.08Å; W94-I127 HydrophobicContact CD2-CD1 3.68Å; W94-I127 HydrophobicContact CD2-CG1 3.78Å; W94-I127 HydrophobicContact CD2-CG2 4.2Å; W94-I127 HydrophobicContact CE3-CD1 3.59Å; W94-I127 HydrophobicContact CE3-CG1 4.22Å; W94-I127 HydrophobicContact CG-CD1 4.11Å; W94-I127 HydrophobicContact CG-CG1 3.7Å; W94-I127 HydrophobicContact CG-CG2 4.45Å; W94-I127 HydrophobicContact CZ2-CG2 4.05Å; W94-I127 HydrophobicContact CZ3-CD1 4.08Å; W94-I242 WeakPolarHBondContact CH2-O 3.22Å; W94-M243 WeakPolarHBondContact CH2-O 3.5Å; W94-M243 WeakPolarHBondContact CZ2-O 3Å
95	K	97.6	Very high	98.1	Very high	163 Å²	163	56.6 Å²	56.6	71%	0.709	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.2	-178.8	-61.3	-177.5	-176.8	176	0	113.6	E92 C97	E92-K95 VanDerWaalsContact O-CE 3.32Å; E92-K95 WeakPolarHBondContact O-CE 3.38Å; E92-K95 WeakPolarHBondContact O-CG 3.39Å; K95-C97 PolarHBondContact O-N 2.88Å
96	D	97.2	Very high	97.9	Very high	118 Å²	118	54.2 Å²	54.2	63%	0.631	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.2	178.6	-67.7	-43.1	0	0	0	114.1	W94 P98 K134	W94-D96 PolarHBondContact O-N 3.41Å; W94-D96 VanDerWaalsContact O-N 3.11Å; D96-P98 WeakPolarHBondContact O-CD 3.38Å; D96-K134 WeakPolarHBondContact O-CE 3.35Å; D96-K134 PolarHBondContact O-NZ 3.21Å
97	C	98.5	Very high	97.7	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.027	23%	0.233	C	C	.	.			trans	-105.7	88.7	178.3	-69.8	0	0	0	0	111.7	W94 K95 S99 I100 C126 I127	W94-C97 HydrophobicContact CB-CB 4.14Å; W94-C97 WeakPolarHBondContact O-CB 3.33Å; W94-C97 PolarHBondContact O-N 3.3Å; K95-C97 PolarHBondContact O-N 2.88Å; C97-S99 VanDerWaalsContact C-N 3.26Å; C97-S99 PolarHBondContact O-N 3.01Å; C97-I100 HydrophobicContact CB-CD1 3.73Å; C97-I100 HydrophobicContact CB-CG1 4.13Å; C97-I100 WeakPolarHBondContact O-CG1 3.31Å; C97-I100 PolarHBondContact O-N 3.44Å; C97-C126 WeakPolarHBondContact CA-SG 3.46Å; C97-C126 HydrophobicContact CB-CB 3.71Å; C97-C126 WeakPolarHBondContact CB-SG 3.26Å; C97-C126 WeakPolarHBondContact SG-CB 3.43Å; C97-C126 CovalentContact SG-SG 2.04Å; C97-C126 PolarHBondContact SG-SG 3.39Å; C97-I127 HydrophobicContact CB-CG1 4.49Å
98	P	97.7	Very high	97.3	Very high	70 Å²	70	44.1 Å²	44.1	46%	0.455	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-67.7	-24.2	-172.1	27.1	-36.1	0	0	0	113.5	D96 I100 N101	D96-P98 WeakPolarHBondContact O-CD 3.38Å; P98-I100 PolarHBondContact O-N 3.41Å; P98-I100 VanDerWaalsContact O-N 3.16Å; P98-N101 PolarHBondContact O-N 3.18Å; P98-N101 VanDerWaalsContact O-N 3.14Å
99	S	98.4	Very high	97	Very high	8 Å²	8	43.3 Å²	43.3	6%	0.056	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.6	-179.1	62.2	0	0	0	0	112.7	C97 N101 I102 D123	C97-S99 VanDerWaalsContact C-N 3.26Å; C97-S99 PolarHBondContact O-N 3.01Å; S99-N101 PolarHBondContact O-N 3.43Å; S99-I102 WeakPolarHBondContact O-CB 3.19Å; S99-I102 PolarHBondContact O-N 2.84Å; S99-D123 WeakPolarHBondContact CB-OD1 3.05Å; S99-D123 WeakPolarHBondContact OG-CA 3.39Å; S99-D123 PolarHBondContact OG-OD1 3.36Å
100	I	98.7	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.9	-34.4	-177.1	-52.1	170.5	0	0	0	110.6	S90 R91 W94 C97 P98 I102 D123 I127 P247 R280	S90-I100 WeakPolarHBondContact O-CD1 3.36Å; R91-I100 HydrophobicContact CB-CG2 4.47Å; R91-I100 HydrophobicContact CG-CB 4.24Å; R91-I100 HydrophobicContact CG-CG2 3.55Å; W94-I100 HydrophobicContact CB-CD1 3.74Å; W94-I100 HydrophobicContact CE3-CD1 4.33Å; C97-I100 HydrophobicContact CB-CD1 3.73Å; C97-I100 HydrophobicContact CB-CG1 4.13Å; C97-I100 WeakPolarHBondContact O-CG1 3.31Å; C97-I100 PolarHBondContact O-N 3.44Å; P98-I100 PolarHBondContact O-N 3.41Å; P98-I100 VanDerWaalsContact O-N 3.16Å; I100-I102 VanDerWaalsContact C-N 3.3Å; I100-I102 PolarHBondContact O-N 3.48Å; I100-D123 VanDerWaalsContact CA-OD1 3.25Å; I100-D123 WeakPolarHBondContact CA-OD1 3.36Å; I100-D123 HydrophobicContact CG1-CB 4.05Å; I100-D123 PolarHBondContact N-OD1 3.42Å; I100-I127 HydrophobicContact CD1-CD1 4Å; I100-I127 HydrophobicContact CD1-CG1 4.39Å; I100-P247 HydrophobicContact CG2-CG 4.15Å; I100-R280 PolarHBondContact O-NH1 2.83Å; I100-R280 VanDerWaalsContact O-NH1 3.14Å; I100-R280 PolarHBondContact O-NH2 3.18Å
101	N	98.1	Very high	96.5	Very high	82 Å²	82	43.2 Å²	43.2	44%	0.439	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-78.9	-9.7	179.8	-69.4	-78.5	0	0	0	113.5	R91 P98 S99 I103	R91-N101 VanDerWaalsContact CD-OD1 3.25Å; R91-N101 WeakPolarHBondContact CD-OD1 3.18Å; P98-N101 PolarHBondContact O-N 3.18Å; P98-N101 VanDerWaalsContact O-N 3.14Å; S99-N101 PolarHBondContact O-N 3.43Å; N101-I103 PolarHBondContact O-N 2.03Å
102	I	97.9	Very high	96.3	Very high	44 Å²	44	40 Å²	40	23%	0.226	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-80	120.3	-174.6	-57.7	-178.9	0	0	0	109.6	S99 I100 Q136 R280	S99-I102 WeakPolarHBondContact O-CB 3.19Å; S99-I102 PolarHBondContact O-N 2.84Å; I100-I102 VanDerWaalsContact C-N 3.3Å; I100-I102 PolarHBondContact O-N 3.48Å; I102-Q136 HydrophobicContact CD1-CG 3.76Å; I102-Q136 VanDerWaalsContact CD1-NE2 3.31Å; I102-R280 PolarHBondContact O-NH2 3.38Å
103	I	97.8	Very high	96.1	Very high	14 Å²	14	35.2 Å²	35.2	7%	0.072	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-92.5	125.6	166.3	-62.3	-56.4	0	0	0	108.8	N101 A296 Y308	N101-I103 PolarHBondContact O-N 2.03Å; I103-A296 HydrophobicContact CD1-CB 3.79Å; I103-Y308 HydrophobicContact CD1-CD1 4.1Å; I103-Y308 HydrophobicContact CD1-CD2 4.05Å; I103-Y308 HydrophobicContact CD1-CE1 3.71Å; I103-Y308 HydrophobicContact CD1-CE2 3.67Å; I103-Y308 HydrophobicContact CD1-CG 4.26Å; I103-Y308 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y308 HydrophobicContact CG1-CD2 4.42Å; I103-Y308 HydrophobicContact CG1-CE2 3.9Å
104	H	97.1	Very high	96	Very high	51 Å²	51	29.8 Å²	29.8	24%	0.236	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-96.7	163.9	-178.9	-62.3	-81.1	0	0	0	111.5	V115 S298 W299 N300	H104-V115 HydrophobicContact CB-CG1 3.46Å; H104-V115 VanDerWaalsContact CB-CG1 3.46Å; H104-S298 CarbonylContact O-C 3.52Å; H104-S298 WeakPolarHBondContact O-CA 3.39Å; H104-W299 PolarHBondContact O-N 3.39Å; H104-N300 PolarHBondContact O-N 3.04Å
105	D	95.7	Very high	96	Very high	11 Å²	11	28 Å²	28	6%	0.059	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-127.3	119.8	172.1	-162.1	-23.3	0	0	0	109.3	S107 Y180 K184 C185 H187 S298 N300	D105-S107 PolarHBondContact O-N 3.13Å; D105-S107 WeakPolarHBondContact OD1-CA 3.2Å; D105-S107 PolarHBondContact OD1-N 3.12Å; D105-Y180 WeakPolarHBondContact O-CE1 3.23Å; D105-K184 HydrophobicContact CB-CB 4.23Å; D105-K184 HydrophobicContact CB-CD 4.31Å; D105-K184 HydrophobicContact CB-CG 3.73Å; D105-K184 VanDerWaalsContact OD2-CA 3.23Å; D105-K184 WeakPolarHBondContact OD2-CA 3.24Å; D105-K184 WeakPolarHBondContact OD2-CB 3.41Å; D105-C185 PolarHBondContact OD2-N 3.37Å; D105-H187 IonicContact OD1-CE1 3.99Å; D105-H187 PolarHBondContact OD1-CE1 3.35Å; D105-H187 IonicContact OD2-CE1 3.07Å; D105-S298 CarbonylContact C-O 3.37Å; D105-S298 WeakPolarHBondContact CA-O 3.3Å; D105-N300 HydrophobicContact CB-CB 4.02Å; D105-N300 PolarHBondContact OD2-ND2 2.64Å
106	Q	94.5	Very high	96	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.			trans	-80.8	-1.6	173.9	74.9	-175.6	83.6	0	0	113	C109 V115 Y180 H277 S298	Q106-C109 PolarHBondContact NE2-O 3.21Å; Q106-C109 WeakPolarHBondContact O-CB 3.36Å; Q106-C109 PolarHBondContact O-N 3.04Å; Q106-V115 HydrophobicContact CB-CG2 4.14Å; Q106-Y180 WeakPolarHBondContact CA-OH 3.37Å; Q106-Y180 PolarHBondContact O-OH 3.43Å; Q106-Y180 VanDerWaalsContact O-OH 3.09Å; Q106-H277 PolarHBondContact OE1-CE1 2.91Å; Q106-S298 PolarHBondContact N-O 2.95Å; Q106-S298 PolarHBondContact OE1-OG 2.91Å
107	S	93.4	Very high	96.1	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-141.8	-179.4	-162.3	0	0	0	0	112.2	R48 D105 C109 P183 Y201	R48-S107 PolarHBondContact NH1-O 3.06Å; R48-S107 VanDerWaalsContact NH1-O 3.12Å; R48-S107 PolarHBondContact NH2-O 3.14Å; D105-S107 PolarHBondContact O-N 3.13Å; D105-S107 WeakPolarHBondContact OD1-CA 3.2Å; D105-S107 PolarHBondContact OD1-N 3.12Å; S107-C109 VanDerWaalsContact C-N 3.34Å; S107-C109 PolarHBondContact O-N 3.21Å; S107-P183 WeakPolarHBondContact CB-O 3.27Å; S107-P183 PolarHBondContact OG-O 3.21Å; S107-Y201 WeakPolarHBondContact OG-CE2 3.35Å
108	K	91	Very high	96.1	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.013	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	46.2	172.5	-69.1	-58.6	-146.9	-173.1	0	112.6	R48 D54 T58 C196 I199 T200 Y201	R48-K108 PolarHBondContact O-NZ 2.9Å; D54-K108 WeakPolarHBondContact OD1-CE 3.42Å; D54-K108 IonicContact OD1-NZ 2.64Å; D54-K108 PolarHBondContact OD1-NZ 3.4Å; D54-K108 IonicContact OD2-NZ 3.17Å; D54-K108 PolarHBondContact OD2-NZ 3.07Å; T58-K108 HydrophobicContact CG2-CD 4.39Å; T58-K108 PolarHBondContact OG1-NZ 2.81Å; K108-C196 HydrophobicContact CD-CB 3.93Å; K108-C196 VanDerWaalsContact CE-CB 3.49Å; K108-C196 HydrophobicContact CG-CB 3.92Å; K108-C196 VanDerWaalsContact CG-O 3.29Å; K108-C196 WeakPolarHBondContact CG-O 3.36Å; K108-I199 VanDerWaalsContact CB-O 3.3Å; K108-I199 WeakPolarHBondContact CB-O 3.23Å; K108-T200 WeakPolarHBondContact O-CA 3.39Å; K108-Y201 HydrophobicContact CB-CD2 4.02Å; K108-Y201 HydrophobicContact CB-CE2 4.18Å; K108-Y201 PolarHBondContact O-N 3.29Å
109	C	91.8	Very high	96.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-126.3	132.4	174.1	169.4	0	0	0	0	108.4	Q106 S107 S111 C152 F182	Q106-C109 PolarHBondContact NE2-O 3.21Å; Q106-C109 WeakPolarHBondContact O-CB 3.36Å; Q106-C109 PolarHBondContact O-N 3.04Å; S107-C109 VanDerWaalsContact C-N 3.34Å; S107-C109 PolarHBondContact O-N 3.21Å; C109-S111 PolarHBondContact O-N 2.97Å; C109-S111 WeakPolarHBondContact SG-CB 3.06Å; C109-S111 PolarHBondContact SG-OG 2.64Å; C109-C152 HydrophobicContact CB-CB 3.8Å; C109-C152 WeakPolarHBondContact CB-SG 3.43Å; C109-C152 WeakPolarHBondContact SG-CA 3.43Å; C109-C152 WeakPolarHBondContact SG-CB 3.48Å; C109-C152 CovalentContact SG-SG 2.03Å; C109-C152 PolarHBondContact SG-SG 2.88Å; C109-F182 HydrophobicContact CB-CD2 3.78Å; C109-F182 HydrophobicContact CB-CE2 3.79Å
110	D	92.2	Very high	96.2	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.021	6%	0.059	C	C	.	.			trans	-75.1	73.1	171.4	-173.5	24.8	0	0	0	110.6	T58 F59 H66 W113 C152	T58-D110 WeakPolarHBondContact O-CB 3.27Å; T58-D110 PolarHBondContact O-N 2.69Å; F59-D110 WeakPolarHBondContact CD1-OD1 3.27Å; H66-D110 IonicContact CE1-OD2 2.75Å; D110-W113 PolarHBondContact O-NE1 2.81Å; D110-C152 VanDerWaalsContact CB-O 3.27Å; D110-C152 WeakPolarHBondContact CB-O 3.48Å; D110-C152 PolarHBondContact N-O 2.82Å
111	S	94.4	Very high	96.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.			trans	-125.8	26.3	-178.6	69	0	0	0	0	113.6	C109 W113 A114 V115 Y180	C109-S111 PolarHBondContact O-N 2.97Å; C109-S111 WeakPolarHBondContact SG-CB 3.06Å; C109-S111 PolarHBondContact SG-OG 2.64Å; S111-W113 PolarHBondContact O-N 3.49Å; S111-A114 PolarHBondContact O-N 3.49Å; S111-V115 WeakPolarHBondContact O-CG2 3.33Å; S111-V115 PolarHBondContact O-N 3.39Å; S111-Y180 PolarHBondContact OG-OH 3.35Å
112	G	95.2	Very high	96.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-51.7	-44.1	173.8	0	0	0	0	0	111.6	A114 V115 A116	G112-A114 VanDerWaalsContact C-N 3.26Å; G112-A114 PolarHBondContact O-N 3.3Å; G112-V115 PolarHBondContact O-N 2.81Å; G112-A116 VanDerWaalsContact O-CB 3.23Å; G112-A116 WeakPolarHBondContact O-CB 3.4Å; G112-A116 PolarHBondContact O-N 2.95Å
113	W	94.4	Very high	96.2	Very high	6 Å²	6	5.4 Å²	5.4	2%	0.023	3%	0.029	C	C	.	.	H	α-helix	trans	-58.8	-27.7	175.8	64.4	-94.4	0	0	0	114.7	D110 S111 S117 L142 I143 N148 G151 S160	D110-W113 PolarHBondContact O-NE1 2.81Å; S111-W113 PolarHBondContact O-N 3.49Å; W113-S117 PolarHBondContact O-OG 3.1Å; W113-L142 WeakPolarHBondContact CH2-O 3.42Å; W113-L142 HydrophobicContact CZ3-CB 4.23Å; W113-I143 HydrophobicContact CH2-CG1 4.32Å; W113-I143 HydrophobicContact CZ2-CG1 4.21Å; W113-N148 VanDerWaalsContact CE3-ND2 3.32Å; W113-N148 HydrophobicContact CH2-CB 3.4Å; W113-N148 VanDerWaalsContact CH2-CB 3.4Å; W113-N148 WeakPolarHBondContact CH2-ND2 3.4Å; W113-N148 HydrophobicContact CZ2-CB 3.74Å; W113-N148 HydrophobicContact CZ3-CB 3.92Å; W113-N148 WeakPolarHBondContact CZ3-ND2 3.32Å; W113-G151 WeakPolarHBondContact CZ2-O 3.45Å; W113-G151 PolarHBondContact NE1-O 3.28Å; W113-S160 VanDerWaalsContact CZ3-OG 3.29Å; W113-S160 WeakPolarHBondContact CZ3-OG 3.3Å; W113-S160 PolarHBondContact O-OG 3.21Å
114	A	97	Very high	96.3	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-91.6	-41.3	178.6	0	0	0	0	0	111.1	S111 G112 A118 L142 I143	S111-A114 PolarHBondContact O-N 3.49Å; G112-A114 VanDerWaalsContact C-N 3.26Å; G112-A114 PolarHBondContact O-N 3.3Å; A114-A118 VanDerWaalsContact O-CB 3.29Å; A114-A118 WeakPolarHBondContact O-CB 3.43Å; A114-A118 PolarHBondContact O-N 3.24Å; A114-L142 HydrophobicContact CB-CB 3.93Å; A114-L142 HydrophobicContact CB-CD1 4.46Å; A114-L142 WeakPolarHBondContact O-CD1 3.19Å; A114-I143 HydrophobicContact CB-CD1 4.13Å; A114-I143 HydrophobicContact CB-CG1 3.5Å
115	V	97.8	Very high	96.3	Very high	7 Å²	7	2.4 Å²	2.4	4%	0.042	1%	0.014	C	C	.	.	H	α-helix	trans	-66.6	-45.6	-179.1	173.4	0	0	0	0	110.4	H104 Q106 S111 G112 A119 A139 Y180	H104-V115 HydrophobicContact CB-CG1 3.46Å; H104-V115 VanDerWaalsContact CB-CG1 3.46Å; Q106-V115 HydrophobicContact CB-CG2 4.14Å; S111-V115 WeakPolarHBondContact O-CG2 3.33Å; S111-V115 PolarHBondContact O-N 3.39Å; G112-V115 PolarHBondContact O-N 2.81Å; V115-A119 VanDerWaalsContact O-CB 3.23Å; V115-A119 WeakPolarHBondContact O-CB 2.79Å; V115-A119 PolarHBondContact O-N 2.77Å; V115-A139 HydrophobicContact CG2-CB 4.02Å; V115-Y180 HydrophobicContact CG2-CE2 4.19Å
116	A	98.2	Very high	96.5	Very high	5 Å²	5	1.9 Å²	1.9	4%	0.041	1%	0.012	C	C	.	.	H	α-helix	trans	-65.6	-45.3	177.5	0	0	0	0	0	111.8	G112 A119 S120 E249	G112-A116 VanDerWaalsContact O-CB 3.23Å; G112-A116 WeakPolarHBondContact O-CB 3.4Å; G112-A116 PolarHBondContact O-N 2.95Å; A116-A119 PolarHBondContact O-N 3.44Å; A116-S120 WeakPolarHBondContact O-CB 3.32Å; A116-S120 PolarHBondContact O-N 3.12Å; A116-S120 PolarHBondContact O-OG 3.38Å; A116-S120 VanDerWaalsContact O-OG 3.11Å; A116-E249 HydrophobicContact CB-CG 3.91Å
117	S	98.1	Very high	96.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-58.1	-53.3	174.2	-60.9	0	0	0	0	111.8	W113 A119 S120 I121 S160 E249	W113-S117 PolarHBondContact O-OG 3.1Å; S117-A119 VanDerWaalsContact C-N 3.31Å; S117-A119 PolarHBondContact O-N 3.44Å; S117-S120 PolarHBondContact O-N 2.79Å; S117-I121 WeakPolarHBondContact O-CB 3.35Å; S117-I121 WeakPolarHBondContact O-CD1 3.24Å; S117-I121 WeakPolarHBondContact O-CG1 3.17Å; S117-I121 PolarHBondContact O-N 3.34Å; S117-S160 WeakPolarHBondContact OG-CB 3.34Å; S117-S160 PolarHBondContact OG-OG 2.99Å; S117-E249 VanDerWaalsContact OG-CD 3.24Å; S117-E249 PolarHBondContact OG-OE1 2.84Å; S117-E249 PolarHBondContact OG-OE2 2.5Å
118	A	98.6	Very high	96.9	Very high	3 Å²	3	3.8 Å²	3.8	3%	0.025	2%	0.021	C	C	.	.	H	α-helix	trans	-61.2	-39.2	-177.7	0	0	0	0	0	112.2	A114 S122 A139 L142	A114-A118 VanDerWaalsContact O-CB 3.29Å; A114-A118 WeakPolarHBondContact O-CB 3.43Å; A114-A118 PolarHBondContact O-N 3.24Å; A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 2.98Å; A118-S122 PolarHBondContact O-OG 3.48Å; A118-A139 HydrophobicContact CB-CB 4.05Å; A118-L142 HydrophobicContact CB-CD1 4.06Å
119	A	98.8	Very high	97.1	Very high	4 Å²	4	4.2 Å²	4.2	3%	0.033	2%	0.024	C	C	.	.	H	α-helix	trans	-64.8	-49.2	176.1	0	0	0	0	0	111.8	V115 A116 S117 I121 S122 D123	V115-A119 VanDerWaalsContact O-CB 3.23Å; V115-A119 WeakPolarHBondContact O-CB 2.79Å; V115-A119 PolarHBondContact O-N 2.77Å; A116-A119 PolarHBondContact O-N 3.44Å; S117-A119 VanDerWaalsContact C-N 3.31Å; S117-A119 PolarHBondContact O-N 3.44Å; A119-I121 VanDerWaalsContact C-N 3.31Å; A119-I121 PolarHBondContact O-N 2.87Å; A119-S122 WeakPolarHBondContact O-CB 2.83Å; A119-S122 PolarHBondContact O-N 2.63Å; A119-D123 PolarHBondContact O-N 3.47Å
120	S	98.8	Very high	97.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.9	-39.1	177.8	-63.9	0	0	0	0	112.1	A116 S117 R124 E249 R280	A116-S120 WeakPolarHBondContact O-CB 3.32Å; A116-S120 PolarHBondContact O-N 3.12Å; A116-S120 PolarHBondContact O-OG 3.38Å; A116-S120 VanDerWaalsContact O-OG 3.11Å; S117-S120 PolarHBondContact O-N 2.79Å; S120-R124 WeakPolarHBondContact O-CB 3.34Å; S120-R124 WeakPolarHBondContact O-CG 3.46Å; S120-R124 PolarHBondContact O-N 3.48Å; S120-E249 PolarHBondContact OG-N 3.32Å; S120-R280 WeakPolarHBondContact OG-CD 3.36Å; S120-R280 WeakPolarHBondContact OG-CG 3.3Å
121	I	98.7	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.4	-42.9	175.7	-62.5	161.8	0	0	0	110.3	S117 A119 D123 R124 T125 L137 W161 W164 L169	S117-I121 WeakPolarHBondContact O-CB 3.35Å; S117-I121 WeakPolarHBondContact O-CD1 3.24Å; S117-I121 WeakPolarHBondContact O-CG1 3.17Å; S117-I121 PolarHBondContact O-N 3.34Å; A119-I121 VanDerWaalsContact C-N 3.31Å; A119-I121 PolarHBondContact O-N 2.87Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.94Å; I121-R124 PolarHBondContact O-N 3.5Å; I121-T125 PolarHBondContact O-N 2.98Å; I121-T125 PolarHBondContact O-OG1 2.63Å; I121-T125 VanDerWaalsContact O-OG1 3.08Å; I121-L137 HydrophobicContact CB-CD1 3.96Å; I121-L137 HydrophobicContact CG2-CD1 3.29Å; I121-W161 HydrophobicContact CD1-CE3 4.37Å; I121-W161 HydrophobicContact CD1-CZ3 4.39Å; I121-W161 HydrophobicContact CG1-CE3 4.1Å; I121-W161 HydrophobicContact CG1-CH2 3.78Å; I121-W161 HydrophobicContact CG1-CZ2 4.36Å; I121-W161 HydrophobicContact CG1-CZ3 3.63Å; I121-W164 HydrophobicContact CD1-CB 3.89Å; I121-W164 HydrophobicContact CD1-CD2 3.83Å; I121-W164 HydrophobicContact CD1-CE3 4.06Å; I121-W164 HydrophobicContact CD1-CG 3.77Å; I121-W164 HydrophobicContact CG1-CD2 4.08Å; I121-W164 HydrophobicContact CG1-CE3 4.1Å; I121-W164 HydrophobicContact CG1-CG 4.49Å; I121-W164 HydrophobicContact CG1-CZ3 4.42Å; I121-W164 HydrophobicContact CG2-CD2 3.83Å; I121-W164 HydrophobicContact CG2-CE3 4.46Å; I121-W164 HydrophobicContact CG2-CG 4.22Å; I121-W164 HydrophobicContact CG2-CH2 4.22Å; I121-W164 HydrophobicContact CG2-CZ2 3.57Å; I121-L169 HydrophobicContact CD1-CD1 3.97Å
122	S	98.8	Very high	97.6	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-57.6	-45.7	177.8	-59	0	0	0	0	112	A118 A119 T125 C126 V135 L137	A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 2.98Å; A118-S122 PolarHBondContact O-OG 3.48Å; A119-S122 WeakPolarHBondContact O-CB 2.83Å; A119-S122 PolarHBondContact O-N 2.63Å; S122-T125 PolarHBondContact O-N 3.14Å; S122-C126 PolarHBondContact O-N 2.99Å; S122-C126 VanDerWaalsContact O-N 3.17Å; S122-V135 WeakPolarHBondContact CB-O 3.49Å; S122-L137 PolarHBondContact OG-N 3.05Å
123	D	98.8	Very high	97.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-47.9	176	-65.5	-17.1	0	0	0	111.6	S99 I100 A119 I121 T125 C126 I127 P247 R280	S99-D123 WeakPolarHBondContact CB-OD1 3.05Å; S99-D123 WeakPolarHBondContact OG-CA 3.39Å; S99-D123 PolarHBondContact OG-OD1 3.36Å; I100-D123 VanDerWaalsContact CA-OD1 3.25Å; I100-D123 WeakPolarHBondContact CA-OD1 3.36Å; I100-D123 HydrophobicContact CG1-CB 4.05Å; I100-D123 PolarHBondContact N-OD1 3.42Å; A119-D123 PolarHBondContact O-N 3.47Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.94Å; D123-T125 VanDerWaalsContact C-N 3.34Å; D123-T125 PolarHBondContact O-N 2.67Å; D123-C126 PolarHBondContact O-N 3.15Å; D123-I127 VanDerWaalsContact O-CG1 3.26Å; D123-I127 WeakPolarHBondContact O-CG1 3.32Å; D123-I127 PolarHBondContact O-N 2.66Å; D123-P247 HydrophobicContact CB-CB 4.4Å; D123-P247 HydrophobicContact CB-CG 4.06Å; D123-P247 WeakPolarHBondContact OD2-CG 3.32Å; D123-R280 WeakPolarHBondContact OD2-CD 3.48Å; D123-R280 IonicContact OD2-CZ 2.65Å; D123-R280 VanDerWaalsContact OD2-CZ 3.3Å; D123-R280 IonicContact OD2-NE 3.55Å; D123-R280 IonicContact OD2-NH1 3.72Å; D123-R280 PolarHBondContact OD2-NH1 3.03Å
124	R	98.7	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-38.2	179.1	-74.2	174.9	171	-95.8	-15	112.3	S120 I121 C126 I127 Q128 E241 N245 G246 P247 V248 G327 V329	S120-R124 WeakPolarHBondContact O-CB 3.34Å; S120-R124 WeakPolarHBondContact O-CG 3.46Å; S120-R124 PolarHBondContact O-N 3.48Å; I121-R124 PolarHBondContact O-N 3.5Å; R124-C126 VanDerWaalsContact C-N 3.31Å; R124-C126 PolarHBondContact O-N 3.14Å; R124-I127 PolarHBondContact O-N 2.79Å; R124-Q128 VanDerWaalsContact O-CB 3.23Å; R124-Q128 WeakPolarHBondContact O-CB 3.35Å; R124-Q128 VanDerWaalsContact O-CG 3.25Å; R124-Q128 WeakPolarHBondContact O-CG 3.42Å; R124-Q128 PolarHBondContact O-N 3.12Å; R124-E241 IonicContact CZ-OE1 2.66Å; R124-E241 VanDerWaalsContact CZ-OE1 3.26Å; R124-E241 IonicContact NH1-OE1 2.83Å; R124-E241 PolarHBondContact NH1-OE1 2.9Å; R124-E241 IonicContact NH2-OE1 3.71Å; R124-E241 PolarHBondContact NH2-OE1 3.49Å; R124-N245 WeakPolarHBondContact CG-O 3.35Å; R124-G246 PolarHBondContact NH2-O 2.89Å; R124-P247 PolarHBondContact NE-O 3.11Å; R124-P247 PolarHBondContact NH2-O 2.83Å; R124-V248 VanDerWaalsContact NH2-CG1 3.27Å; R124-G327 PolarHBondContact NH1-O 2.75Å; R124-V329 HydrophobicContact CB-CG2 4.28Å
125	T	98.3	Very high	97.7	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-56.9	-46.8	173.2	-65.3	0	0	0	0	110.5	I121 S122 D123 T129 M133 V135	I121-T125 PolarHBondContact O-N 2.98Å; I121-T125 PolarHBondContact O-OG1 2.63Å; I121-T125 VanDerWaalsContact O-OG1 3.08Å; S122-T125 PolarHBondContact O-N 3.14Å; D123-T125 VanDerWaalsContact C-N 3.34Å; D123-T125 PolarHBondContact O-N 2.67Å; T125-T129 VanDerWaalsContact O-CB 3.29Å; T125-T129 WeakPolarHBondContact O-CB 3.2Å; T125-T129 WeakPolarHBondContact O-CG2 3.33Å; T125-T129 PolarHBondContact O-N 3.07Å; T125-T129 PolarHBondContact O-OG1 3.05Å; T125-M133 HydrophobicContact CG2-CB 3.7Å; T125-M133 HydrophobicContact CG2-SD 4.17Å; T125-V135 HydrophobicContact CG2-CG2 3.67Å
126	C	98.4	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-47.9	176	-178	0	0	0	0	113.2	C97 S122 D123 R124 T129 N130 G131 M133	C97-C126 WeakPolarHBondContact CA-SG 3.46Å; C97-C126 HydrophobicContact CB-CB 3.71Å; C97-C126 WeakPolarHBondContact CB-SG 3.26Å; C97-C126 WeakPolarHBondContact SG-CB 3.43Å; C97-C126 CovalentContact SG-SG 2.04Å; C97-C126 PolarHBondContact SG-SG 3.39Å; S122-C126 PolarHBondContact O-N 2.99Å; S122-C126 VanDerWaalsContact O-N 3.17Å; D123-C126 PolarHBondContact O-N 3.15Å; R124-C126 VanDerWaalsContact C-N 3.31Å; R124-C126 PolarHBondContact O-N 3.14Å; C126-T129 PolarHBondContact O-OG1 2.86Å; C126-N130 PolarHBondContact O-N 3.44Å; C126-G131 WeakPolarHBondContact O-CA 3.48Å; C126-G131 PolarHBondContact O-N 3.38Å; C126-M133 WeakPolarHBondContact CA-O 3.46Å; C126-M133 WeakPolarHBondContact CB-O 3.2Å; C126-M133 PolarHBondContact N-O 3.44Å
127	I	98.4	Very high	97.8	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-48.6	-175.8	-69.1	166.9	0	0	0	111.2	W94 C97 I100 D123 R124 T129 N130	W94-I127 HydrophobicContact CB-CG1 4.08Å; W94-I127 HydrophobicContact CD2-CD1 3.68Å; W94-I127 HydrophobicContact CD2-CG1 3.78Å; W94-I127 HydrophobicContact CD2-CG2 4.2Å; W94-I127 HydrophobicContact CE3-CD1 3.59Å; W94-I127 HydrophobicContact CE3-CG1 4.22Å; W94-I127 HydrophobicContact CG-CD1 4.11Å; W94-I127 HydrophobicContact CG-CG1 3.7Å; W94-I127 HydrophobicContact CG-CG2 4.45Å; W94-I127 HydrophobicContact CZ2-CG2 4.05Å; W94-I127 HydrophobicContact CZ3-CD1 4.08Å; C97-I127 HydrophobicContact CB-CG1 4.49Å; I100-I127 HydrophobicContact CD1-CD1 4Å; I100-I127 HydrophobicContact CD1-CG1 4.39Å; D123-I127 VanDerWaalsContact O-CG1 3.26Å; D123-I127 WeakPolarHBondContact O-CG1 3.32Å; D123-I127 PolarHBondContact O-N 2.66Å; R124-I127 PolarHBondContact O-N 2.79Å; I127-T129 VanDerWaalsContact C-N 3.29Å; I127-T129 PolarHBondContact O-N 2.83Å; I127-N130 PolarHBondContact O-N 3.48Å; I127-N130 VanDerWaalsContact O-N 3.17Å
128	Q	97.8	Very high	97.8	Very high	32 Å²	32	28.7 Å²	28.7	15%	0.15	16%	0.155	C	C	.	.	H	α-helix	trans	-81.8	-9.6	-171.5	-59.1	178.4	22.2	0	0	113.5	R124 N245 G327 V329 N331	R124-Q128 VanDerWaalsContact O-CB 3.23Å; R124-Q128 WeakPolarHBondContact O-CB 3.35Å; R124-Q128 VanDerWaalsContact O-CG 3.25Å; R124-Q128 WeakPolarHBondContact O-CG 3.42Å; R124-Q128 PolarHBondContact O-N 3.12Å; Q128-N245 PolarHBondContact NE2-O 2.65Å; Q128-G327 PolarHBondContact NE2-O 3.4Å; Q128-V329 HydrophobicContact CB-CB 4.32Å; Q128-V329 HydrophobicContact CB-CG2 4.18Å; Q128-N331 PolarHBondContact O-ND2 3.49Å; Q128-N331 VanDerWaalsContact O-ND2 3.17Å
129	T	96.7	Very high	97.8	Very high	12 Å²	12	29.2 Å²	29.2	7%	0.074	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	14.2	169.8	67	0	0	0	0	111.8	T125 C126 I127 G131 T132 M133 V329	T125-T129 VanDerWaalsContact O-CB 3.29Å; T125-T129 WeakPolarHBondContact O-CB 3.2Å; T125-T129 WeakPolarHBondContact O-CG2 3.33Å; T125-T129 PolarHBondContact O-N 3.07Å; T125-T129 PolarHBondContact O-OG1 3.05Å; C126-T129 PolarHBondContact O-OG1 2.86Å; I127-T129 VanDerWaalsContact C-N 3.29Å; I127-T129 PolarHBondContact O-N 2.83Å; T129-G131 PolarHBondContact O-N 3.46Å; T129-T132 WeakPolarHBondContact CB-OG1 3.42Å; T129-T132 WeakPolarHBondContact O-CB 3.23Å; T129-T132 WeakPolarHBondContact O-CG2 3.23Å; T129-T132 PolarHBondContact O-N 3.12Å; T129-T132 VanDerWaalsContact O-N 3.11Å; T129-T132 PolarHBondContact O-OG1 2.8Å; T129-M133 HydrophobicContact CG2-CB 4.18Å; T129-M133 HydrophobicContact CG2-CG 4.02Å; T129-M133 HydrophobicContact CG2-SD 3.94Å; T129-M133 WeakPolarHBondContact OG1-CB 3.43Å; T129-M133 PolarHBondContact OG1-N 3.48Å; T129-M133 VanDerWaalsContact OG1-N 3.12Å; T129-V329 HydrophobicContact CG2-CG1 4.32Å
130	N	96.1	Very high	97.7	Very high	151 Å²	151	29.5 Å²	29.5	81%	0.807	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.1	-177.8	-66.7	-15.7	0	0	0	112.8	C126 I127 T132	C126-N130 PolarHBondContact O-N 3.44Å; I127-N130 PolarHBondContact O-N 3.48Å; I127-N130 VanDerWaalsContact O-N 3.17Å; N130-T132 VanDerWaalsContact C-N 3.26Å; N130-T132 PolarHBondContact O-N 2.87Å
131	G	95.8	Very high	97.7	Very high	16 Å²	16	29.5 Å²	29.5	17%	0.165	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	2.5	177.7	0	0	0	0	0	115.4	C126 T129 K134	C126-G131 WeakPolarHBondContact O-CA 3.48Å; C126-G131 PolarHBondContact O-N 3.38Å; T129-G131 PolarHBondContact O-N 3.46Å; G131-K134 WeakPolarHBondContact O-CE 3.27Å
132	T	95.4	Very high	97.6	Very high	116 Å²	116	29.5 Å²	29.5	71%	0.712	16%	0.16	S	C	*	.	S	Bend	trans	-73	-28.7	179.5	59.6	0	0	0	0	112.7	T129 N130	T129-T132 WeakPolarHBondContact CB-OG1 3.42Å; T129-T132 WeakPolarHBondContact O-CB 3.23Å; T129-T132 WeakPolarHBondContact O-CG2 3.23Å; T129-T132 PolarHBondContact O-N 3.12Å; T129-T132 VanDerWaalsContact O-N 3.11Å; T129-T132 PolarHBondContact O-OG1 2.8Å; N130-T132 VanDerWaalsContact C-N 3.26Å; N130-T132 PolarHBondContact O-N 2.87Å
133	M	95.9	Very high	97.5	Very high	47 Å²	47	29.4 Å²	29.4	23%	0.232	16%	0.159	C	C	.	.			trans	-111.1	111.6	173.9	-62.8	-170.3	170.5	0	0	111.6	T125 C126 T129 T333	T125-M133 HydrophobicContact CG2-CB 3.7Å; T125-M133 HydrophobicContact CG2-SD 4.17Å; C126-M133 WeakPolarHBondContact CA-O 3.46Å; C126-M133 WeakPolarHBondContact CB-O 3.2Å; C126-M133 PolarHBondContact N-O 3.44Å; T129-M133 HydrophobicContact CG2-CB 4.18Å; T129-M133 HydrophobicContact CG2-CG 4.02Å; T129-M133 HydrophobicContact CG2-SD 3.94Å; T129-M133 WeakPolarHBondContact OG1-CB 3.43Å; T129-M133 PolarHBondContact OG1-N 3.48Å; T129-M133 VanDerWaalsContact OG1-N 3.12Å; M133-T333 WeakPolarHBondContact CE-OXT 3.5Å
134	K	97.1	Very high	97.4	Very high	115 Å²	115	30.6 Å²	30.6	50%	0.5	17%	0.167	S	C	.	.			trans	-115.4	82.2	179.9	-59.2	-176	-172	-163	0	110.1	D96 G131	D96-K134 WeakPolarHBondContact O-CE 3.35Å; D96-K134 PolarHBondContact O-NZ 3.21Å; G131-K134 WeakPolarHBondContact O-CE 3.27Å
135	V	97.4	Very high	97.3	Very high	23 Å²	23	31.3 Å²	31.3	14%	0.139	17%	0.172	C	C	.	.			trans	-117.7	155.3	-173.3	-63	0	0	0	0	111.7	S122 T125 L137 T171	S122-V135 WeakPolarHBondContact CB-O 3.49Å; T125-V135 HydrophobicContact CG2-CG2 3.67Å; V135-L137 HydrophobicContact CB-CD2 4.42Å; V135-L137 HydrophobicContact CG2-CD2 3.85Å; V135-L137 HydrophobicContact CG2-CG 4.12Å; V135-T171 HydrophobicContact CB-CG2 4.37Å; V135-T171 HydrophobicContact CG1-CG2 4.24Å
136	Q	98.4	Very high	97.1	Very high	57 Å²	57	31.4 Å²	31.4	27%	0.266	17%	0.173	S	C	.	.			trans	-113.8	120.1	160.6	-59.8	174.1	56.6	0	0	107.3	I102 T171 G172 D173	I102-Q136 HydrophobicContact CD1-CG 3.76Å; I102-Q136 VanDerWaalsContact CD1-NE2 3.31Å; Q136-T171 CarbonylContact O-C 3.54Å; Q136-T171 WeakPolarHBondContact O-CA 3.41Å; Q136-G172 PolarHBondContact O-N 2.62Å; Q136-D173 HydrophobicContact CB-CB 4.04Å; Q136-D173 HydrophobicContact CG-CB 4.36Å
137	L	98.6	Very high	96.8	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.052	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-86.7	152	-174.4	-61.6	175.8	0	0	0	111.9	I121 S122 V135 A139 L169 V170 H223	I121-L137 HydrophobicContact CB-CD1 3.96Å; I121-L137 HydrophobicContact CG2-CD1 3.29Å; S122-L137 PolarHBondContact OG-N 3.05Å; V135-L137 HydrophobicContact CB-CD2 4.42Å; V135-L137 HydrophobicContact CG2-CD2 3.85Å; V135-L137 HydrophobicContact CG2-CG 4.12Å; L137-A139 PolarHBondContact O-N 3.09Å; L137-L169 HydrophobicContact CB-CB 4.12Å; L137-L169 HydrophobicContact CB-CD1 4.17Å; L137-L169 HydrophobicContact CD1-CB 4.25Å; L137-L169 HydrophobicContact CD1-CD1 4.28Å; L137-L169 HydrophobicContact CD2-CB 4.25Å; L137-L169 HydrophobicContact CG-CB 4.44Å; L137-V170 WeakPolarHBondContact CA-O 3.05Å; L137-H223 HydrophobicContact CD2-CB 3.91Å
138	S	98.5	Very high	96.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	19%	0.194	C	C	.	.			trans	-75.2	106.8	-171.5	-175.7	0	0	0	0	112.9	I140 E141 V170 L178	S138-I140 VanDerWaalsContact C-N 3.27Å; S138-I140 PolarHBondContact O-N 2.98Å; S138-I140 WeakPolarHBondContact OG-CG2 3.4Å; S138-E141 PolarHBondContact O-N 2.91Å; S138-E141 PolarHBondContact OG-N 3.15Å; S138-E141 VanDerWaalsContact OG-N 3.17Å; S138-V170 WeakPolarHBondContact CB-O 3.17Å; S138-V170 PolarHBondContact N-O 3.11Å; S138-L178 WeakPolarHBondContact CB-O 3.42Å; S138-L178 WeakPolarHBondContact OG-CB 3.42Å; S138-L178 PolarHBondContact OG-O 2.72Å
139	A	98	Very high	95.8	Very high	13 Å²	13	43 Å²	43	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-32	167.8	0	0	0	0	0	112	V115 A118 L137 E141 L142 I143 Y180	V115-A139 HydrophobicContact CG2-CB 4.02Å; A118-A139 HydrophobicContact CB-CB 4.05Å; L137-A139 PolarHBondContact O-N 3.09Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 2.92Å; A139-L142 WeakPolarHBondContact O-CB 3.2Å; A139-L142 PolarHBondContact O-N 2.93Å; A139-I143 VanDerWaalsContact O-CG1 3.25Å; A139-I143 WeakPolarHBondContact O-CG1 3.36Å; A139-I143 PolarHBondContact O-N 3.02Å; A139-Y180 HydrophobicContact CB-CD2 4.08Å; A139-Y180 HydrophobicContact CB-CE2 4.22Å
140	I	97.4	Very high	95.5	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-69.9	-29.9	-179.6	-163.4	64	0	0	0	112.4	S138 I143 S144 L178 Y180 P181 F182 P204	S138-I140 VanDerWaalsContact C-N 3.27Å; S138-I140 PolarHBondContact O-N 2.98Å; S138-I140 WeakPolarHBondContact OG-CG2 3.4Å; I140-I143 HydrophobicContact CD1-CB 4.13Å; I140-I143 HydrophobicContact CD1-CD1 4.05Å; I140-I143 HydrophobicContact CD1-CG2 4.15Å; I140-I143 PolarHBondContact O-N 2.98Å; I140-S144 WeakPolarHBondContact O-CB 2.95Å; I140-S144 PolarHBondContact O-N 2.94Å; I140-S144 PolarHBondContact O-OG 3.07Å; I140-L178 HydrophobicContact CG2-CB 3.87Å; I140-L178 WeakPolarHBondContact CG2-O 3.48Å; I140-Y180 HydrophobicContact CB-CD2 4.37Å; I140-P181 HydrophobicContact CD1-CG 3.69Å; I140-P181 HydrophobicContact CG1-CG 3.88Å; I140-F182 HydrophobicContact CD1-CE2 4.11Å; I140-F182 HydrophobicContact CD1-CZ 4.23Å; I140-P204 HydrophobicContact CD1-CG 3.55Å; I140-P204 HydrophobicContact CG1-CG 3.68Å
141	E	97.9	Very high	95.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-44.9	170.2	173.8	155.9	-126.4	0	0	111.6	S138 A139 I143 S144 C145 Y163 L169 V170 L178 Y218 K222	S138-E141 PolarHBondContact O-N 2.91Å; S138-E141 PolarHBondContact OG-N 3.15Å; S138-E141 VanDerWaalsContact OG-N 3.17Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 2.92Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 2.92Å; E141-S144 PolarHBondContact O-N 3.43Å; E141-C145 HydrophobicContact CG-CB 4.38Å; E141-C145 WeakPolarHBondContact O-CA 3.09Å; E141-C145 VanDerWaalsContact O-CB 3.23Å; E141-C145 WeakPolarHBondContact O-CB 3.27Å; E141-C145 PolarHBondContact O-N 2.98Å; E141-Y163 HydrophobicContact CG-CE1 3.96Å; E141-L169 HydrophobicContact CB-CD2 4.4Å; E141-L169 HydrophobicContact CG-CD2 4Å; E141-L169 VanDerWaalsContact OE2-CA 3.3Å; E141-L169 WeakPolarHBondContact OE2-CA 3.25Å; E141-V170 WeakPolarHBondContact OE2-CG2 3.4Å; E141-V170 PolarHBondContact OE2-N 2.88Å; E141-L178 HydrophobicContact CB-CD1 4.16Å; E141-Y218 VanDerWaalsContact OE1-CE2 3.31Å; E141-Y218 WeakPolarHBondContact OE1-CE2 3.18Å; E141-Y218 PolarHBondContact OE1-OH 3.02Å; E141-K222 IonicContact OE1-NZ 2.82Å; E141-K222 PolarHBondContact OE1-NZ 3.33Å; E141-K222 IonicContact OE2-NZ 3.89Å; E141-K222 PolarHBondContact OE2-NZ 2.96Å
142	L	97.7	Very high	95	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-45.1	174.2	-70.7	175.1	0	0	0	111.7	W113 A114 A118 A139 S144 S146 Y163 L169	W113-L142 WeakPolarHBondContact CH2-O 3.42Å; W113-L142 HydrophobicContact CZ3-CB 4.23Å; A114-L142 HydrophobicContact CB-CB 3.93Å; A114-L142 HydrophobicContact CB-CD1 4.46Å; A114-L142 WeakPolarHBondContact O-CD1 3.19Å; A118-L142 HydrophobicContact CB-CD1 4.06Å; A139-L142 WeakPolarHBondContact O-CB 3.2Å; A139-L142 PolarHBondContact O-N 2.93Å; L142-S144 PolarHBondContact O-N 2.65Å; L142-S146 WeakPolarHBondContact O-CB 3.44Å; L142-S146 PolarHBondContact O-N 2.84Å; L142-S146 PolarHBondContact O-OG 3.29Å; L142-Y163 HydrophobicContact CD2-CD1 3.87Å; L142-Y163 HydrophobicContact CD2-CG 4.33Å; L142-L169 HydrophobicContact CD1-CD1 4.09Å; L142-L169 HydrophobicContact CD2-CD1 4.23Å; L142-L169 HydrophobicContact CD2-CD2 3.64Å; L142-L169 HydrophobicContact CD2-CG 4.48Å; L142-L169 HydrophobicContact CG-CD1 4.12Å; L142-L169 HydrophobicContact CG-CD2 3.75Å
143	I	96.5	Very high	94.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-42.8	179.8	-68	164.4	0	0	0	112	W113 A114 A139 I140 E141 Y180 A203	W113-I143 HydrophobicContact CH2-CG1 4.32Å; W113-I143 HydrophobicContact CZ2-CG1 4.21Å; A114-I143 HydrophobicContact CB-CD1 4.13Å; A114-I143 HydrophobicContact CB-CG1 3.5Å; A139-I143 VanDerWaalsContact O-CG1 3.25Å; A139-I143 WeakPolarHBondContact O-CG1 3.36Å; A139-I143 PolarHBondContact O-N 3.02Å; I140-I143 HydrophobicContact CD1-CB 4.13Å; I140-I143 HydrophobicContact CD1-CD1 4.05Å; I140-I143 HydrophobicContact CD1-CG2 4.15Å; I140-I143 PolarHBondContact O-N 2.98Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 2.92Å; I143-Y180 HydrophobicContact CD1-CD2 4.49Å; I143-Y180 HydrophobicContact CD1-CE2 3.55Å; I143-A203 HydrophobicContact CG2-CB 3.63Å
144	S	96.6	Very high	94.3	Very high	26 Å²	26	39 Å²	39	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-92.2	-36.2	-171.6	60.5	0	0	0	0	113.2	I140 E141 L142 P204 C206	I140-S144 WeakPolarHBondContact O-CB 2.95Å; I140-S144 PolarHBondContact O-N 2.94Å; I140-S144 PolarHBondContact O-OG 3.07Å; E141-S144 PolarHBondContact O-N 3.43Å; L142-S144 PolarHBondContact O-N 2.65Å; S144-P204 VanDerWaalsContact CB-O 3.26Å; S144-P204 WeakPolarHBondContact CB-O 3.36Å; S144-C206 WeakPolarHBondContact O-CB 3.4Å
145	C	96.9	Very high	93.9	Very high	15 Å²	15	33.6 Å²	33.6	10%	0.101	17%	0.167	C	C	.	.	H	α-helix	trans	-109	-14.4	-166.8	-62.7	0	0	0	0	115.3	E141 Y163 C206	E141-C145 HydrophobicContact CG-CB 4.38Å; E141-C145 WeakPolarHBondContact O-CA 3.09Å; E141-C145 VanDerWaalsContact O-CB 3.23Å; E141-C145 WeakPolarHBondContact O-CB 3.27Å; E141-C145 PolarHBondContact O-N 2.98Å; C145-Y163 HydrophobicContact CB-CE2 4.05Å; C145-Y163 WeakPolarHBondContact CB-OH 3.37Å; C145-Y163 VanDerWaalsContact O-CE2 3.29Å; C145-Y163 WeakPolarHBondContact O-CE2 3.41Å; C145-C206 VanDerWaalsContact CA-SG 3.54Å; C145-C206 HydrophobicContact CB-CB 3.99Å; C145-C206 WeakPolarHBondContact CB-SG 3.21Å; C145-C206 VanDerWaalsContact SG-CA 3.56Å; C145-C206 WeakPolarHBondContact SG-CB 3.25Å; C145-C206 CovalentContact SG-SG 2.04Å; C145-C206 PolarHBondContact SG-SG 2.86Å
146	S	94.4	Very high	93.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.021	17%	0.165	C	C	.	.	S	Bend	trans	-72.9	-174	-178.4	76.3	0	0	0	0	113.4	L142 N148 K149	L142-S146 WeakPolarHBondContact O-CB 3.44Å; L142-S146 PolarHBondContact O-N 2.84Å; L142-S146 PolarHBondContact O-OG 3.29Å; S146-N148 PolarHBondContact O-N 2.63Å; S146-N148 WeakPolarHBondContact OG-CB 3.22Å; S146-N148 PolarHBondContact OG-N 2.97Å; S146-N148 VanDerWaalsContact OG-N 3.17Å; S146-N148 PolarHBondContact OG-ND2 2.9Å; S146-K149 PolarHBondContact O-NZ 2.75Å
147	K	92	Very high	93.2	Very high	108 Å²	108	30.9 Å²	30.9	47%	0.47	15%	0.152	S	C	.	.	S	Bend	trans	-71.5	-11.5	171.6	-71.3	175	178.6	164.3	0	112.5	K149 F159 D162	K147-K149 VanDerWaalsContact C-N 3.3Å; K147-K149 PolarHBondContact O-N 3.49Å; K147-F159 HydrophobicContact CB-CB 4.19Å; K147-F159 HydrophobicContact CB-CD1 4.49Å; K147-F159 HydrophobicContact CB-CD2 3.98Å; K147-F159 HydrophobicContact CB-CG 3.98Å; K147-F159 HydrophobicContact CD-CD1 4.32Å; K147-D162 IonicContact NZ-OD2 3.06Å; K147-D162 PolarHBondContact NZ-OD2 2.81Å
148	N	88.6	Confident	92.9	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	15%	0.151	C	C	.	.			trans	-73.6	78.2	175.2	-67.4	-51.4	0	0	0	111.2	W113 S146 L150 G151 G155 F156 F159	W113-N148 VanDerWaalsContact CE3-ND2 3.32Å; W113-N148 HydrophobicContact CH2-CB 3.4Å; W113-N148 VanDerWaalsContact CH2-CB 3.4Å; W113-N148 WeakPolarHBondContact CH2-ND2 3.4Å; W113-N148 HydrophobicContact CZ2-CB 3.74Å; W113-N148 HydrophobicContact CZ3-CB 3.92Å; W113-N148 WeakPolarHBondContact CZ3-ND2 3.32Å; S146-N148 PolarHBondContact O-N 2.63Å; S146-N148 WeakPolarHBondContact OG-CB 3.22Å; S146-N148 PolarHBondContact OG-N 2.97Å; S146-N148 VanDerWaalsContact OG-N 3.17Å; S146-N148 PolarHBondContact OG-ND2 2.9Å; N148-L150 PolarHBondContact O-N 2.86Å; N148-L150 VanDerWaalsContact O-N 3.1Å; N148-G151 PolarHBondContact O-N 2.86Å; N148-G151 VanDerWaalsContact O-N 3.12Å; N148-G155 WeakPolarHBondContact OD1-CA 3.42Å; N148-F156 PolarHBondContact ND2-O 2.93Å; N148-F156 WeakPolarHBondContact OD1-CD2 3.49Å; N148-F156 PolarHBondContact OD1-N 2.93Å; N148-F159 WeakPolarHBondContact OD1-CD2 3.49Å
149	K	86.4	Confident	92.7	Very high	170 Å²	170	32.5 Å²	32.5	74%	0.739	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.6	-173.5	-58.8	-49.2	-179.5	-166.3	0	115.2	S146 K147	S146-K149 PolarHBondContact O-NZ 2.75Å; K147-K149 VanDerWaalsContact C-N 3.3Å; K147-K149 PolarHBondContact O-N 3.49Å
150	L	89.3	Confident	92.6	Very high	94 Å²	94	31.9 Å²	31.9	49%	0.492	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-3.7	-179.6	-64.3	177.8	0	0	0	113.1	N148 C152 Q153 I154	N148-L150 PolarHBondContact O-N 2.86Å; N148-L150 VanDerWaalsContact O-N 3.1Å; L150-C152 PolarHBondContact O-N 3.09Å; L150-Q153 HydrophobicContact CB-CB 4.23Å; L150-Q153 PolarHBondContact O-N 2.82Å; L150-I154 HydrophobicContact CB-CG2 3.55Å; L150-I154 HydrophobicContact CD1-CG2 3.3Å; L150-I154 HydrophobicContact CG-CG2 4.03Å
151	G	91.2	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	47.8	-107.2	169.8	0	0	0	0	0	113.8	W113 N148 Q153	W113-G151 WeakPolarHBondContact CZ2-O 3.45Å; W113-G151 PolarHBondContact NE1-O 3.28Å; N148-G151 PolarHBondContact O-N 2.86Å; N148-G151 VanDerWaalsContact O-N 3.12Å; G151-Q153 PolarHBondContact O-N 3.19Å
152	C	91.6	Very high	92.5	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.061	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-72.5	5.7	-179.8	-70.5	0	0	0	0	116.3	C109 D110 L150 F182 Y201	C109-C152 HydrophobicContact CB-CB 3.8Å; C109-C152 WeakPolarHBondContact CB-SG 3.43Å; C109-C152 WeakPolarHBondContact SG-CA 3.43Å; C109-C152 WeakPolarHBondContact SG-CB 3.48Å; C109-C152 CovalentContact SG-SG 2.03Å; C109-C152 PolarHBondContact SG-SG 2.88Å; D110-C152 VanDerWaalsContact CB-O 3.27Å; D110-C152 WeakPolarHBondContact CB-O 3.48Å; D110-C152 PolarHBondContact N-O 2.82Å; L150-C152 PolarHBondContact O-N 3.09Å; C152-F182 VanDerWaalsContact SG-CE2 3.53Å; C152-Y201 WeakPolarHBondContact CB-O 3.37Å
153	Q	88	Confident	92.5	Very high	117 Å²	117	33.3 Å²	33.3	55%	0.547	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-109.1	-31	177.8	-57.7	176.8	15.7	0	0	113.2	L150 G151	L150-Q153 HydrophobicContact CB-CB 4.23Å; L150-Q153 PolarHBondContact O-N 2.82Å; G151-Q153 PolarHBondContact O-N 3.19Å
154	I	87	Confident	92.5	Very high	38 Å²	38	33.2 Å²	33.2	20%	0.195	16%	0.16	C	C	.	.			trans	-172.5	143	178.1	176.7	158	0	0	0	108.8	H66 L150	H66-I154 VanDerWaalsContact CE1-CG1 3.45Å; H66-I154 WeakPolarHBondContact CE1-CG1 3.48Å; L150-I154 HydrophobicContact CB-CG2 3.55Å; L150-I154 HydrophobicContact CD1-CG2 3.3Å; L150-I154 HydrophobicContact CG-CG2 4.03Å
155	G	88.5	Confident	92.5	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	17%	0.165	C	C	.	.			trans	-153.9	171	165.7	0	0	0	0	0	113	H66 N148	H66-G155 PolarHBondContact ND1-O 3.34Å; N148-G155 WeakPolarHBondContact OD1-CA 3.42Å
156	F	90.2	Very high	92.5	Very high	24 Å²	24	39.8 Å²	39.8	11%	0.105	19%	0.186	C	C	.	.			trans	-118	125.6	-177.6	-59.8	-97.5	0	0	0	108.6	R65 R68 N148 E158 F159 S160	R65-F156 HydrophobicContact CB-CZ 4.49Å; R65-F156 WeakPolarHBondContact O-CE1 3.31Å; R65-F156 WeakPolarHBondContact O-CZ 3.47Å; R68-F156 HydrophobicContact CG-CD1 4.17Å; R68-F156 HydrophobicContact CG-CE1 3.87Å; N148-F156 PolarHBondContact ND2-O 2.93Å; N148-F156 WeakPolarHBondContact OD1-CD2 3.49Å; N148-F156 PolarHBondContact OD1-N 2.93Å; F156-E158 VanDerWaalsContact C-N 3.27Å; F156-E158 PolarHBondContact O-N 3.17Å; F156-F159 HydrophobicContact CB-CB 4.4Å; F156-F159 HydrophobicContact CB-CD2 3.78Å; F156-F159 HydrophobicContact CB-CE2 4.26Å; F156-F159 HydrophobicContact CB-CG 4.15Å; F156-F159 AromaticContact CD2-CD2 3.8Å; F156-F159 HydrophobicContact CD2-CD2 3.8Å; F156-F159 AromaticContact CD2-CE2 3.76Å; F156-F159 HydrophobicContact CD2-CE2 3.76Å; F156-F159 HydrophobicContact CE2-CE2 4.35Å; F156-F159 HydrophobicContact CG-CD2 4.03Å; F156-F159 HydrophobicContact CG-CE2 4.07Å; F156-F159 PolarHBondContact O-N 3.2Å; F156-S160 PolarHBondContact O-N 3.2Å
157	S	92.3	Very high	92.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-39.4	178.4	-65.1	0	0	0	0	111.7	F159 S160 W161 E249 S278	S157-F159 PolarHBondContact O-N 3.16Å; S157-S160 WeakPolarHBondContact O-CA 3.45Å; S157-S160 WeakPolarHBondContact O-CB 3.35Å; S157-S160 PolarHBondContact O-N 2.69Å; S157-W161 VanDerWaalsContact O-CD1 3.22Å; S157-W161 PolarHBondContact O-N 3.04Å; S157-W161 VanDerWaalsContact O-N 3.16Å; S157-E249 VanDerWaalsContact CB-OE1 3.24Å; S157-E249 WeakPolarHBondContact CB-OE1 3.22Å; S157-E249 WeakPolarHBondContact CB-OE2 3.46Å; S157-E249 VanDerWaalsContact OG-CD 3.23Å; S157-E249 PolarHBondContact OG-OE1 2.79Å; S157-S278 PolarHBondContact OG-OG 3.39Å; S157-S278 VanDerWaalsContact OG-OG 3.05Å
158	E	92.4	Very high	93	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.023	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-32.8	-178.9	-54.5	89.9	155.4	0	0	112	R68 I71 L72 F156 D162	R68-E158 PolarHBondContact N-OE1 2.85Å; I71-E158 HydrophobicContact CB-CB 3.88Å; I71-E158 HydrophobicContact CB-CG 4.18Å; I71-E158 HydrophobicContact CD1-CB 4.03Å; I71-E158 HydrophobicContact CD1-CG 4.44Å; I71-E158 HydrophobicContact CG2-CB 3.75Å; L72-E158 HydrophobicContact CD1-CB 4.3Å; L72-E158 HydrophobicContact CD1-CG 4.29Å; L72-E158 HydrophobicContact CD2-CB 4.37Å; L72-E158 HydrophobicContact CG-CB 4.03Å; L72-E158 HydrophobicContact CG-CG 4.12Å; F156-E158 VanDerWaalsContact C-N 3.27Å; F156-E158 PolarHBondContact O-N 3.17Å; E158-D162 WeakPolarHBondContact O-CB 3.34Å; E158-D162 PolarHBondContact O-N 2.79Å
159	F	94	Very high	93.4	Very high	39 Å²	39	37.2 Å²	37.2	17%	0.171	18%	0.177	C	C	.	.	H	α-helix	trans	-73.9	-25.1	174.6	-68.1	-20	0	0	0	113.3	I71 K147 N148 F156 S157 Y163	I71-F159 HydrophobicContact CD1-CD1 4.26Å; I71-F159 HydrophobicContact CD1-CE1 3.66Å; I71-F159 HydrophobicContact CD1-CZ 4.1Å; I71-F159 HydrophobicContact CG2-CE1 4.45Å; K147-F159 HydrophobicContact CB-CB 4.19Å; K147-F159 HydrophobicContact CB-CD1 4.49Å; K147-F159 HydrophobicContact CB-CD2 3.98Å; K147-F159 HydrophobicContact CB-CG 3.98Å; K147-F159 HydrophobicContact CD-CD1 4.32Å; N148-F159 WeakPolarHBondContact OD1-CD2 3.49Å; F156-F159 HydrophobicContact CB-CB 4.4Å; F156-F159 HydrophobicContact CB-CD2 3.78Å; F156-F159 HydrophobicContact CB-CE2 4.26Å; F156-F159 HydrophobicContact CB-CG 4.15Å; F156-F159 AromaticContact CD2-CD2 3.8Å; F156-F159 HydrophobicContact CD2-CD2 3.8Å; F156-F159 AromaticContact CD2-CE2 3.76Å; F156-F159 HydrophobicContact CD2-CE2 3.76Å; F156-F159 HydrophobicContact CE2-CE2 4.35Å; F156-F159 HydrophobicContact CG-CD2 4.03Å; F156-F159 HydrophobicContact CG-CE2 4.07Å; F156-F159 PolarHBondContact O-N 3.2Å; S157-F159 PolarHBondContact O-N 3.16Å; F159-Y163 VanDerWaalsContact O-CB 3.3Å; F159-Y163 WeakPolarHBondContact O-CB 3.14Å; F159-Y163 PolarHBondContact O-N 3.44Å
160	S	95.9	Very high	94	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-49.4	170.1	-61.4	0	0	0	0	111.2	W113 S117 F156 S157 Y163 W164	W113-S160 VanDerWaalsContact CZ3-OG 3.29Å; W113-S160 WeakPolarHBondContact CZ3-OG 3.3Å; W113-S160 PolarHBondContact O-OG 3.21Å; S117-S160 WeakPolarHBondContact OG-CB 3.34Å; S117-S160 PolarHBondContact OG-OG 2.99Å; F156-S160 PolarHBondContact O-N 3.2Å; S157-S160 WeakPolarHBondContact O-CA 3.45Å; S157-S160 WeakPolarHBondContact O-CB 3.35Å; S157-S160 PolarHBondContact O-N 2.69Å; S160-Y163 WeakPolarHBondContact O-CB 3.3Å; S160-Y163 PolarHBondContact O-N 3.21Å; S160-W164 PolarHBondContact O-N 2.97Å
161	W	96.9	Very high	94.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-43	177.8	-68.7	93.9	0	0	0	111.4	L72 I121 S157 Y163 W164 L165 I228 E249 N325	L72-W161 HydrophobicContact CD1-CB 4.31Å; I121-W161 HydrophobicContact CD1-CE3 4.37Å; I121-W161 HydrophobicContact CD1-CZ3 4.39Å; I121-W161 HydrophobicContact CG1-CE3 4.1Å; I121-W161 HydrophobicContact CG1-CH2 3.78Å; I121-W161 HydrophobicContact CG1-CZ2 4.36Å; I121-W161 HydrophobicContact CG1-CZ3 3.63Å; S157-W161 VanDerWaalsContact O-CD1 3.22Å; S157-W161 PolarHBondContact O-N 3.04Å; S157-W161 VanDerWaalsContact O-N 3.16Å; W161-Y163 VanDerWaalsContact C-N 3.3Å; W161-Y163 PolarHBondContact O-N 3.38Å; W161-W164 AromaticContact CE3-CE3 3.66Å; W161-W164 HydrophobicContact CE3-CE3 3.66Å; W161-W164 AromaticContact CE3-CZ3 3.66Å; W161-W164 HydrophobicContact CE3-CZ3 3.66Å; W161-W164 AromaticContact CZ3-CE3 3.98Å; W161-W164 HydrophobicContact CZ3-CE3 3.98Å; W161-W164 HydrophobicContact CZ3-CH2 4.44Å; W161-W164 AromaticContact CZ3-CZ3 3.62Å; W161-W164 HydrophobicContact CZ3-CZ3 3.62Å; W161-W164 PolarHBondContact O-N 3.49Å; W161-L165 PolarHBondContact O-N 3.17Å; W161-I228 HydrophobicContact CB-CB 4.18Å; W161-I228 HydrophobicContact CB-CD1 4.21Å; W161-I228 HydrophobicContact CB-CG2 4.06Å; W161-I228 HydrophobicContact CE3-CG2 4.19Å; W161-E249 HydrophobicContact CZ2-CB 4.1Å; W161-E249 PolarHBondContact NE1-OE2 2.91Å; W161-N325 HydrophobicContact CG-CB 4.42Å; W161-N325 WeakPolarHBondContact CZ2-O 3.49Å
162	D	95.8	Very high	94.8	Very high	21 Å²	21	25.7 Å²	25.7	11%	0.112	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-40	173.5	-174.2	60.7	0	0	0	112	K147 E158 K166 I228	K147-D162 IonicContact NZ-OD2 3.06Å; K147-D162 PolarHBondContact NZ-OD2 2.81Å; E158-D162 WeakPolarHBondContact O-CB 3.34Å; E158-D162 PolarHBondContact O-N 2.79Å; D162-K166 VanDerWaalsContact CG-NZ 3.28Å; D162-K166 WeakPolarHBondContact O-CB 3.33Å; D162-K166 WeakPolarHBondContact O-CG 3.3Å; D162-K166 PolarHBondContact O-N 2.9Å; D162-K166 VanDerWaalsContact O-N 3.15Å; D162-K166 WeakPolarHBondContact OD1-CE 3.44Å; D162-K166 IonicContact OD1-NZ 3.81Å; D162-K166 PolarHBondContact OD1-NZ 3.14Å; D162-K166 IonicContact OD2-NZ 2.67Å; D162-K166 PolarHBondContact OD2-NZ 2.8Å; D162-I228 HydrophobicContact CB-CD1 4.26Å
163	Y	97	Very high	94.9	Very high	19 Å²	19	26.6 Å²	26.6	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-46.2	177.4	-175.2	-88.9	0	0	0	111.7	E141 L142 C145 F159 S160 W161 L165 K166 N167 L169	E141-Y163 HydrophobicContact CG-CE1 3.96Å; L142-Y163 HydrophobicContact CD2-CD1 3.87Å; L142-Y163 HydrophobicContact CD2-CG 4.33Å; C145-Y163 HydrophobicContact CB-CE2 4.05Å; C145-Y163 WeakPolarHBondContact CB-OH 3.37Å; C145-Y163 VanDerWaalsContact O-CE2 3.29Å; C145-Y163 WeakPolarHBondContact O-CE2 3.41Å; F159-Y163 VanDerWaalsContact O-CB 3.3Å; F159-Y163 WeakPolarHBondContact O-CB 3.14Å; F159-Y163 PolarHBondContact O-N 3.44Å; S160-Y163 WeakPolarHBondContact O-CB 3.3Å; S160-Y163 PolarHBondContact O-N 3.21Å; W161-Y163 VanDerWaalsContact C-N 3.3Å; W161-Y163 PolarHBondContact O-N 3.38Å; Y163-L165 PolarHBondContact O-N 2.97Å; Y163-K166 PolarHBondContact O-N 3.5Å; Y163-N167 HydrophobicContact CD1-CB 4.27Å; Y163-N167 HydrophobicContact CD2-CB 4.36Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.12Å; Y163-N167 HydrophobicContact CE1-CB 3.88Å; Y163-N167 HydrophobicContact CE2-CB 4.01Å; Y163-N167 WeakPolarHBondContact O-CB 3.44Å; Y163-N167 PolarHBondContact O-N 3.13Å; Y163-N167 PolarHBondContact O-ND2 2.94Å; Y163-L169 HydrophobicContact CD1-CD2 3.87Å; Y163-L169 HydrophobicContact CE1-CD2 3.9Å
164	W	98	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-45	177.5	170.7	55.5	0	0	0	112.2	I121 S160 W161 K166 G168 L169 H223 Y224 I228 K328 V329	I121-W164 HydrophobicContact CD1-CB 3.89Å; I121-W164 HydrophobicContact CD1-CD2 3.83Å; I121-W164 HydrophobicContact CD1-CE3 4.06Å; I121-W164 HydrophobicContact CD1-CG 3.77Å; I121-W164 HydrophobicContact CG1-CD2 4.08Å; I121-W164 HydrophobicContact CG1-CE3 4.1Å; I121-W164 HydrophobicContact CG1-CG 4.49Å; I121-W164 HydrophobicContact CG1-CZ3 4.42Å; I121-W164 HydrophobicContact CG2-CD2 3.83Å; I121-W164 HydrophobicContact CG2-CE3 4.46Å; I121-W164 HydrophobicContact CG2-CG 4.22Å; I121-W164 HydrophobicContact CG2-CH2 4.22Å; I121-W164 HydrophobicContact CG2-CZ2 3.57Å; S160-W164 PolarHBondContact O-N 2.97Å; W161-W164 AromaticContact CE3-CE3 3.66Å; W161-W164 HydrophobicContact CE3-CE3 3.66Å; W161-W164 AromaticContact CE3-CZ3 3.66Å; W161-W164 HydrophobicContact CE3-CZ3 3.66Å; W161-W164 AromaticContact CZ3-CE3 3.98Å; W161-W164 HydrophobicContact CZ3-CE3 3.98Å; W161-W164 HydrophobicContact CZ3-CH2 4.44Å; W161-W164 AromaticContact CZ3-CZ3 3.62Å; W161-W164 HydrophobicContact CZ3-CZ3 3.62Å; W161-W164 PolarHBondContact O-N 3.49Å; W164-K166 VanDerWaalsContact C-N 3.33Å; W164-K166 PolarHBondContact O-N 2.83Å; W164-G168 VanDerWaalsContact O-CA 3.29Å; W164-G168 WeakPolarHBondContact O-CA 3.19Å; W164-G168 PolarHBondContact O-N 2.66Å; W164-L169 HydrophobicContact CB-CD1 4.36Å; W164-L169 HydrophobicContact CB-CG 4.37Å; W164-H223 VanDerWaalsContact CD1-O 3.32Å; W164-H223 PolarHBondContact NE1-O 3.25Å; W164-Y224 VanDerWaalsContact NE1-C 3.3Å; W164-I228 HydrophobicContact CE3-CG2 3.87Å; W164-I228 HydrophobicContact CZ3-CG2 3.99Å; W164-K328 WeakPolarHBondContact CH2-O 3.22Å; W164-V329 HydrophobicContact CH2-CG2 4.38Å; W164-V329 HydrophobicContact CZ2-CG2 4.14Å
165	L	97.1	Very high	95.6	Very high	57 Å²	57	28.8 Å²	28.8	30%	0.298	16%	0.156	S	C	.	.	H	α-helix	trans	-58.1	-44.3	175.2	-179.8	65.7	0	0	0	112	W161 Y163 G225 I228	W161-L165 PolarHBondContact O-N 3.17Å; Y163-L165 PolarHBondContact O-N 2.97Å; L165-G225 WeakPolarHBondContact CD1-O 3.38Å; L165-I228 HydrophobicContact CB-CD1 4.12Å; L165-I228 HydrophobicContact CB-CG2 4.01Å; L165-I228 HydrophobicContact CD2-CD1 3.88Å; L165-I228 HydrophobicContact CD2-CG1 3.96Å
166	K	96.8	Very high	96.1	Very high	123 Å²	123	28.7 Å²	28.7	54%	0.535	16%	0.156	S	C	.	.	H	α-helix	trans	-87.5	-29.2	-170.9	-72.4	172.9	177.4	160.6	0	114.9	D162 Y163 W164	D162-K166 VanDerWaalsContact CG-NZ 3.28Å; D162-K166 WeakPolarHBondContact O-CB 3.33Å; D162-K166 WeakPolarHBondContact O-CG 3.3Å; D162-K166 PolarHBondContact O-N 2.9Å; D162-K166 VanDerWaalsContact O-N 3.15Å; D162-K166 WeakPolarHBondContact OD1-CE 3.44Å; D162-K166 IonicContact OD1-NZ 3.81Å; D162-K166 PolarHBondContact OD1-NZ 3.14Å; D162-K166 IonicContact OD2-NZ 2.67Å; D162-K166 PolarHBondContact OD2-NZ 2.8Å; Y163-K166 PolarHBondContact O-N 3.5Å; W164-K166 VanDerWaalsContact C-N 3.33Å; W164-K166 PolarHBondContact O-N 2.83Å
167	N	97.4	Very high	96.5	Very high	64 Å²	64	27.6 Å²	27.6	34%	0.342	15%	0.151	S	C	.	.	H	α-helix	trans	-128.3	-11.8	-168.7	-55.4	-90.7	0	0	0	113.5	Y163 K222	Y163-N167 HydrophobicContact CD1-CB 4.27Å; Y163-N167 HydrophobicContact CD2-CB 4.36Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.12Å; Y163-N167 HydrophobicContact CE1-CB 3.88Å; Y163-N167 HydrophobicContact CE2-CB 4.01Å; Y163-N167 WeakPolarHBondContact O-CB 3.44Å; Y163-N167 PolarHBondContact O-N 3.13Å; Y163-N167 PolarHBondContact O-ND2 2.94Å; N167-K222 WeakPolarHBondContact O-CD 3.13Å; N167-K222 WeakPolarHBondContact O-CE 3.45Å; N167-K222 PolarHBondContact O-NZ 3.41Å
168	G	97.8	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.			trans	63	173.2	-169.1	0	0	0	0	0	113.3	W164 K222 H223	W164-G168 VanDerWaalsContact O-CA 3.29Å; W164-G168 WeakPolarHBondContact O-CA 3.19Å; W164-G168 PolarHBondContact O-N 2.66Å; G168-K222 PolarHBondContact O-NZ 3.24Å; G168-H223 CarbonylContact C-O 3.45Å; G168-H223 WeakPolarHBondContact CA-O 3.26Å
169	L	98.5	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-122.7	141.8	174.9	-66.3	176.4	0	0	0	111.4	I121 L137 E141 L142 Y163 W164 H223	I121-L169 HydrophobicContact CD1-CD1 3.97Å; L137-L169 HydrophobicContact CB-CB 4.12Å; L137-L169 HydrophobicContact CB-CD1 4.17Å; L137-L169 HydrophobicContact CD1-CB 4.25Å; L137-L169 HydrophobicContact CD1-CD1 4.28Å; L137-L169 HydrophobicContact CD2-CB 4.25Å; L137-L169 HydrophobicContact CG-CB 4.44Å; E141-L169 HydrophobicContact CB-CD2 4.4Å; E141-L169 HydrophobicContact CG-CD2 4Å; E141-L169 VanDerWaalsContact OE2-CA 3.3Å; E141-L169 WeakPolarHBondContact OE2-CA 3.25Å; L142-L169 HydrophobicContact CD1-CD1 4.09Å; L142-L169 HydrophobicContact CD2-CD1 4.23Å; L142-L169 HydrophobicContact CD2-CD2 3.64Å; L142-L169 HydrophobicContact CD2-CG 4.48Å; L142-L169 HydrophobicContact CG-CD1 4.12Å; L142-L169 HydrophobicContact CG-CD2 3.75Å; Y163-L169 HydrophobicContact CD1-CD2 3.87Å; Y163-L169 HydrophobicContact CE1-CD2 3.9Å; W164-L169 HydrophobicContact CB-CD1 4.36Å; W164-L169 HydrophobicContact CB-CG 4.37Å; L169-H223 PolarHBondContact N-O 2.82Å; L169-H223 PolarHBondContact O-N 3.16Å; L169-H223 PolarHBondContact O-ND1 3.14Å
170	V	98.5	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.			trans	-81.3	165.6	169.2	-56.8	0	0	0	0	111.1	L137 S138 E141 C177 L178 Y218 D221 K222	L137-V170 WeakPolarHBondContact CA-O 3.05Å; S138-V170 WeakPolarHBondContact CB-O 3.17Å; S138-V170 PolarHBondContact N-O 3.11Å; E141-V170 WeakPolarHBondContact OE2-CG2 3.4Å; E141-V170 PolarHBondContact OE2-N 2.88Å; V170-C177 HydrophobicContact CB-CB 3.81Å; V170-C177 HydrophobicContact CG2-CB 3.87Å; V170-L178 HydrophobicContact CG2-CB 3.89Å; V170-L178 HydrophobicContact CG2-CD1 3.78Å; V170-L178 HydrophobicContact CG2-CG 3.86Å; V170-Y218 HydrophobicContact CG1-CD2 3.72Å; V170-Y218 HydrophobicContact CG1-CE2 3.73Å; V170-Y218 HydrophobicContact CG1-CG 4.38Å; V170-Y218 WeakPolarHBondContact CG1-O 3.48Å; V170-Y218 HydrophobicContact CG2-CE2 4.44Å; V170-D221 WeakPolarHBondContact CA-O 3.33Å; V170-D221 HydrophobicContact CB-CB 4.35Å; V170-D221 WeakPolarHBondContact CB-OD2 3.24Å; V170-D221 HydrophobicContact CG1-CB 4.25Å; V170-K222 HydrophobicContact CG1-CD 3.67Å; V170-K222 HydrophobicContact CG1-CG 4.28Å
171	T	98.5	Very high	97	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.055	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-65.8	147.2	171.2	59.6	0	0	0	0	111.6	V135 Q136 G176 C177 L178 Y214 D221	V135-T171 HydrophobicContact CB-CG2 4.37Å; V135-T171 HydrophobicContact CG1-CG2 4.24Å; Q136-T171 CarbonylContact O-C 3.54Å; Q136-T171 WeakPolarHBondContact O-CA 3.41Å; T171-G176 WeakPolarHBondContact OG1-CA 3.45Å; T171-C177 PolarHBondContact O-N 2.67Å; T171-C177 VanDerWaalsContact O-N 3.12Å; T171-C177 PolarHBondContact OG1-N 2.03Å; T171-L178 PolarHBondContact O-N 3.2Å; T171-Y214 PolarHBondContact OG1-OH 2.64Å; T171-Y214 VanDerWaalsContact OG1-OH 3.05Å; T171-D221 WeakPolarHBondContact CB-OD2 3.4Å; T171-D221 PolarHBondContact N-OD2 2.96Å; T171-D221 PolarHBondContact OG1-OD2 2.88Å
172	G	98	Very high	96.9	Very high	13 Å²	13	35 Å²	35	13%	0.134	19%	0.194	C	C	.	.			trans	-147.8	18.8	-175.6	0	0	0	0	0	115.3	Q136 L178 P179	Q136-G172 PolarHBondContact O-N 2.62Å; G172-L178 VanDerWaalsContact CA-O 3.22Å; G172-L178 WeakPolarHBondContact CA-O 3.37Å; G172-P179 WeakPolarHBondContact O-CA 3.48Å
173	D	95.3	Very high	96.7	Very high	28 Å²	28	37.3 Å²	37.3	15%	0.15	21%	0.21	C	C	.	.	S	Bend	trans	-62	168.3	160.3	68.3	93.5	0	0	0	110.4	Q136 T175 G176 P179	Q136-D173 HydrophobicContact CB-CB 4.04Å; Q136-D173 HydrophobicContact CG-CB 4.36Å; D173-T175 PolarHBondContact O-N 2.79Å; D173-T175 VanDerWaalsContact OD1-CA 3.24Å; D173-T175 WeakPolarHBondContact OD1-CA 3.11Å; D173-T175 WeakPolarHBondContact OD1-CB 2.96Å; D173-T175 PolarHBondContact OD1-N 2.99Å; D173-T175 PolarHBondContact OD1-OG1 3.07Å; D173-G176 PolarHBondContact O-N 3.5Å; D173-G176 PolarHBondContact OD1-N 2.99Å; D173-G176 VanDerWaalsContact OD1-N 3.14Å; D173-G176 WeakPolarHBondContact OD2-CA 3.32Å; D173-G176 PolarHBondContact OD2-N 3.31Å; D173-P179 WeakPolarHBondContact O-CG 3.29Å
174	P	94.4	Very high	96.5	Very high	103 Å²	103	39.8 Å²	39.8	67%	0.669	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-22.8	179.8	-28.4	36.9	0	0	0	115.1	R211	P174-R211 PolarHBondContact O-NH1 2.91Å; P174-R211 VanDerWaalsContact O-NH1 3.09Å
175	T	95.2	Very high	96	Very high	97 Å²	97	40 Å²	40	60%	0.595	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-8.8	177.7	71.4	0	0	0	0	114.6	D173 R211 Y214	D173-T175 PolarHBondContact O-N 2.79Å; D173-T175 VanDerWaalsContact OD1-CA 3.24Å; D173-T175 WeakPolarHBondContact OD1-CA 3.11Å; D173-T175 WeakPolarHBondContact OD1-CB 2.96Å; D173-T175 PolarHBondContact OD1-N 2.99Å; D173-T175 PolarHBondContact OD1-OG1 3.07Å; T175-R211 PolarHBondContact O-NH2 2.58Å; T175-Y214 WeakPolarHBondContact O-CD2 3.38Å; T175-Y214 WeakPolarHBondContact O-CE2 3.49Å
176	G	97.3	Very high	95.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	-73.4	-173.3	-176.2	0	0	0	0	0	115.5	T171 D173 R211 Y214	T171-G176 WeakPolarHBondContact OG1-CA 3.45Å; D173-G176 PolarHBondContact O-N 3.5Å; D173-G176 PolarHBondContact OD1-N 2.99Å; D173-G176 VanDerWaalsContact OD1-N 3.14Å; D173-G176 WeakPolarHBondContact OD2-CA 3.32Å; D173-G176 PolarHBondContact OD2-N 3.31Å; G176-R211 WeakPolarHBondContact O-CD 3.35Å; G176-R211 PolarHBondContact O-NE 3.14Å; G176-Y214 VanDerWaalsContact C-CE2 3.47Å
177	C	98.5	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-64.4	-50.7	-177.8	172.5	0	0	0	0	112.7	V170 T171 C210 R211 Y214 D221	V170-C177 HydrophobicContact CB-CB 3.81Å; V170-C177 HydrophobicContact CG2-CB 3.87Å; T171-C177 PolarHBondContact O-N 2.67Å; T171-C177 VanDerWaalsContact O-N 3.12Å; T171-C177 PolarHBondContact OG1-N 2.03Å; C177-C210 HydrophobicContact CB-CB 3.86Å; C177-C210 WeakPolarHBondContact CB-SG 3.25Å; C177-C210 WeakPolarHBondContact O-CA 3.23Å; C177-C210 WeakPolarHBondContact SG-CA 3.44Å; C177-C210 WeakPolarHBondContact SG-CB 3.25Å; C177-C210 CovalentContact SG-SG 2.03Å; C177-C210 PolarHBondContact SG-SG 3.42Å; C177-R211 PolarHBondContact O-N 2.79Å; C177-Y214 HydrophobicContact CB-CD1 3.87Å; C177-Y214 HydrophobicContact CB-CE1 3.58Å; C177-D221 WeakPolarHBondContact CB-OD2 3.45Å
178	L	97.9	Very high	93.5	Very high	17 Å²	17	32.8 Å²	32.8	9%	0.089	18%	0.183	C	C	.	.	S	Bend	trans	-130.3	82.5	-179.3	-70.1	-179.7	0	0	0	111	S138 I140 E141 V170 T171 G172 Y218	S138-L178 WeakPolarHBondContact CB-O 3.42Å; S138-L178 WeakPolarHBondContact OG-CB 3.42Å; S138-L178 PolarHBondContact OG-O 2.72Å; I140-L178 HydrophobicContact CG2-CB 3.87Å; I140-L178 WeakPolarHBondContact CG2-O 3.48Å; E141-L178 HydrophobicContact CB-CD1 4.16Å; V170-L178 HydrophobicContact CG2-CB 3.89Å; V170-L178 HydrophobicContact CG2-CD1 3.78Å; V170-L178 HydrophobicContact CG2-CG 3.86Å; T171-L178 PolarHBondContact O-N 3.2Å; G172-L178 VanDerWaalsContact CA-O 3.22Å; G172-L178 WeakPolarHBondContact CA-O 3.37Å; L178-Y218 HydrophobicContact CD1-CE2 4.05Å
179	P	97.3	Very high	92.1	Very high	35 Å²	35	36 Å²	36	23%	0.227	21%	0.206	C	C	.	.			trans	-62.7	151.9	176.2	-20.5	32.5	0	0	0	112.6	G172 D173 P181	G172-P179 WeakPolarHBondContact O-CA 3.48Å; D173-P179 WeakPolarHBondContact O-CG 3.29Å; P179-P181 WeakPolarHBondContact O-CD 3.4Å
180	Y	96.6	Very high	90.7	Very high	53 Å²	53	38.3 Å²	38.3	21%	0.208	22%	0.222	C	C	.	.			trans	-65	120.9	174	-160.2	-106.9	0	0	0	110.6	D105 Q106 S111 V115 A139 I140 I143 F182	D105-Y180 WeakPolarHBondContact O-CE1 3.23Å; Q106-Y180 WeakPolarHBondContact CA-OH 3.37Å; Q106-Y180 PolarHBondContact O-OH 3.43Å; Q106-Y180 VanDerWaalsContact O-OH 3.09Å; S111-Y180 PolarHBondContact OG-OH 3.35Å; V115-Y180 HydrophobicContact CG2-CE2 4.19Å; A139-Y180 HydrophobicContact CB-CD2 4.08Å; A139-Y180 HydrophobicContact CB-CE2 4.22Å; I140-Y180 HydrophobicContact CB-CD2 4.37Å; I143-Y180 HydrophobicContact CD1-CD2 4.49Å; I143-Y180 HydrophobicContact CD1-CE2 3.55Å; Y180-F182 HydrophobicContact CD1-CB 4.21Å; Y180-F182 HydrophobicContact CD1-CD2 4.38Å; Y180-F182 HydrophobicContact CE1-CB 3.79Å; Y180-F182 AromaticContact CE1-CD2 3.61Å; Y180-F182 HydrophobicContact CE1-CD2 3.61Å; Y180-F182 HydrophobicContact CE1-CG 4.15Å; Y180-F182 HydrophobicContact CE2-CD2 4.3Å; Y180-F182 AromaticContact CZ-CD2 3.56Å
181	P	94.7	Very high	89.4	Confident	72 Å²	72	45.2 Å²	45.2	47%	0.468	26%	0.259	S	S	.	.			trans	-84.3	-13.7	-168.1	32.6	-36.4	0	0	0	113.8	I140 P179	I140-P181 HydrophobicContact CD1-CG 3.69Å; I140-P181 HydrophobicContact CG1-CG 3.88Å; P179-P181 WeakPolarHBondContact O-CD 3.4Å
182	F	94	Very high	88.6	Confident	23 Å²	23	48.5 Å²	48.5	10%	0.101	28%	0.282	C	S	.	.	S	Bend	trans	-92.9	131.9	-175.6	-45.2	-48.5	0	0	0	110.5	C109 I140 C152 Y180 Y201	C109-F182 HydrophobicContact CB-CD2 3.78Å; C109-F182 HydrophobicContact CB-CE2 3.79Å; I140-F182 HydrophobicContact CD1-CE2 4.11Å; I140-F182 HydrophobicContact CD1-CZ 4.23Å; C152-F182 VanDerWaalsContact SG-CE2 3.53Å; Y180-F182 HydrophobicContact CD1-CB 4.21Å; Y180-F182 HydrophobicContact CD1-CD2 4.38Å; Y180-F182 HydrophobicContact CE1-CB 3.79Å; Y180-F182 AromaticContact CE1-CD2 3.61Å; Y180-F182 HydrophobicContact CE1-CD2 3.61Å; Y180-F182 HydrophobicContact CE1-CG 4.15Å; Y180-F182 HydrophobicContact CE2-CD2 4.3Å; Y180-F182 AromaticContact CZ-CD2 3.56Å; F182-Y201 HydrophobicContact CB-CD2 3.86Å; F182-Y201 HydrophobicContact CB-CE2 3.98Å; F182-Y201 HydrophobicContact CB-CG 4.33Å; F182-Y201 AromaticContact CD1-CD1 3.58Å; F182-Y201 HydrophobicContact CD1-CD1 3.58Å; F182-Y201 AromaticContact CD1-CD2 3.83Å; F182-Y201 HydrophobicContact CD1-CD2 3.83Å; F182-Y201 HydrophobicContact CD1-CE1 4.17Å; F182-Y201 HydrophobicContact CD1-CE2 4.4Å; F182-Y201 AromaticContact CD1-CG 3.39Å; F182-Y201 HydrophobicContact CD1-CG 3.39Å; F182-Y201 HydrophobicContact CD2-CD2 4.49Å; F182-Y201 AromaticContact CE1-CD1 3.94Å; F182-Y201 HydrophobicContact CE1-CD1 3.94Å; F182-Y201 AromaticContact CE1-CG 3.76Å; F182-Y201 HydrophobicContact CE1-CG 3.76Å; F182-Y201 HydrophobicContact CG-CD1 4.39Å; F182-Y201 AromaticContact CG-CD2 3.8Å; F182-Y201 HydrophobicContact CG-CD2 3.8Å; F182-Y201 HydrophobicContact CG-CE2 4.37Å; F182-Y201 AromaticContact CG-CG 3.83Å; F182-Y201 HydrophobicContact CG-CG 3.83Å; F182-Y201 HydrophobicContact CZ-CG 4.46Å
183	P	92	Very high	88	Confident	69 Å²	69	51 Å²	51	45%	0.448	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-70.1	149.1	-175.6	29.3	-35.6	0	0	0	111.8	S107 Y201	S107-P183 WeakPolarHBondContact CB-O 3.27Å; S107-P183 PolarHBondContact OG-O 3.21Å; P183-Y201 WeakPolarHBondContact CD-OH 3.47Å; P183-Y201 WeakPolarHBondContact CG-OH 3.24Å
184	K	92.4	Very high	87.5	Confident	72 Å²	72	54.2 Å²	54.2	31%	0.313	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-58.2	150.7	164.3	-63.6	-163.7	166	-169.5	0	110.7	D105 Y193 E301	D105-K184 HydrophobicContact CB-CB 4.23Å; D105-K184 HydrophobicContact CB-CD 4.31Å; D105-K184 HydrophobicContact CB-CG 3.73Å; D105-K184 VanDerWaalsContact OD2-CA 3.23Å; D105-K184 WeakPolarHBondContact OD2-CA 3.24Å; D105-K184 WeakPolarHBondContact OD2-CB 3.41Å; K184-Y193 HydrophobicContact CB-CD1 3.63Å; K184-Y193 HydrophobicContact CB-CE1 3.71Å; K184-Y193 HydrophobicContact CB-CG 4.09Å; K184-Y193 HydrophobicContact CD-CD1 4.43Å; K184-Y193 HydrophobicContact CD-CE1 3.64Å; K184-Y193 HydrophobicContact CD-CE2 4.25Å; K184-Y193 WeakPolarHBondContact CD-OH 3.49Å; K184-Y193 HydrophobicContact CG-CE1 4.24Å; K184-E301 VanDerWaalsContact NZ-CD 3.32Å; K184-E301 IonicContact NZ-OE1 3.59Å; K184-E301 PolarHBondContact NZ-OE1 2.95Å; K184-E301 IonicContact NZ-OE2 3.49Å; K184-E301 PolarHBondContact NZ-OE2 2.98Å; K184-E301 VanDerWaalsContact NZ-OE2 3.09Å
185	C	87.6	Confident	87	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.027	31%	0.31	C	S	.	.			trans	-142.9	155.6	179.3	66.3	0	0	0	0	114.8	D105 H187 P194 C196 N300	D105-C185 PolarHBondContact OD2-N 3.37Å; C185-H187 PolarHBondContact O-CD2 3.28Å; C185-H187 VanDerWaalsContact O-CD2 3.24Å; C185-H187 PolarHBondContact O-N 3.28Å; C185-H187 PolarHBondContact O-NE2 2.92Å; C185-H187 PolarHBondContact SG-NE2 3.41Å; C185-H187 VanDerWaalsContact SG-NE2 3.38Å; C185-P194 CarbonylContact C-O 3.5Å; C185-P194 WeakPolarHBondContact CA-O 3.23Å; C185-P194 WeakPolarHBondContact CB-O 3.44Å; C185-C196 HydrophobicContact CB-CB 3.64Å; C185-C196 WeakPolarHBondContact CB-SG 3.35Å; C185-C196 WeakPolarHBondContact SG-CA 3.33Å; C185-C196 WeakPolarHBondContact SG-CB 3.44Å; C185-C196 CovalentContact SG-SG 2.03Å; C185-C196 PolarHBondContact SG-SG 3.48Å; C185-N300 PolarHBondContact O-ND2 3.5Å
186	D	83.8	Confident	86.4	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-65.6	127.4	-170.7	171.9	35	0	0	0	113.1	N47 R188 S189 S190 Y193 P194	N47-D186 PolarHBondContact ND2-OD2 3Å; D186-R188 PolarHBondContact OD1-N 3Å; D186-S189 WeakPolarHBondContact OD1-CA 3.23Å; D186-S189 PolarHBondContact OD1-N 3.05Å; D186-S189 VanDerWaalsContact OD2-CA 3.3Å; D186-S189 WeakPolarHBondContact OD2-CA 3.2Å; D186-S189 PolarHBondContact OD2-N 2.54Å; D186-S190 PolarHBondContact OD1-N 2.72Å; D186-Y193 WeakPolarHBondContact CB-O 3.48Å; D186-P194 PolarHBondContact N-O 2.89Å
187	H	81.6	Confident	85.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-116.4	-6.1	179.2	-62.5	158	0	0	0	115.3	Q46 N47 R48 D105 C185 C196 W299 N300 D302 W303	Q46-H187 PolarHBondContact OE1-O 2.5Å; N47-H187 PolarHBondContact N-O 2.91Å; R48-H187 HydrophobicContact CB-CB 3.97Å; R48-H187 WeakPolarHBondContact CB-CD2 3.35Å; R48-H187 VanDerWaalsContact CD-NE2 3.32Å; R48-H187 WeakPolarHBondContact CD-NE2 3.45Å; R48-H187 WeakPolarHBondContact CG-CD2 3.47Å; R48-H187 PolarHBondContact NH1-CE1 2.72Å; R48-H187 PolarHBondContact NH1-NE2 3.29Å; D105-H187 IonicContact OD1-CE1 3.99Å; D105-H187 PolarHBondContact OD1-CE1 3.35Å; D105-H187 IonicContact OD2-CE1 3.07Å; C185-H187 PolarHBondContact O-CD2 3.28Å; C185-H187 VanDerWaalsContact O-CD2 3.24Å; C185-H187 PolarHBondContact O-N 3.28Å; C185-H187 PolarHBondContact O-NE2 2.92Å; C185-H187 PolarHBondContact SG-NE2 3.41Å; C185-H187 VanDerWaalsContact SG-NE2 3.38Å; H187-C196 VanDerWaalsContact CD2-SG 3.58Å; H187-C196 PolarHBondContact NE2-SG 3.45Å; H187-C196 VanDerWaalsContact NE2-SG 3.43Å; H187-W299 PolarHBondContact CE1-O 2.76Å; H187-W299 PolarHBondContact ND1-O 2.75Å; H187-N300 PolarHBondContact CE1-ND2 2.9Å; H187-N300 PolarHBondContact ND1-ND2 3.21Å; H187-N300 PolarHBondContact ND1-OD1 2.94Å; H187-D302 HydrophobicContact CB-CB 4.47Å; H187-W303 HydrophobicContact CB-CB 4.01Å
188	R	74	Confident	84.5	Confident	90 Å²	90	62.6 Å²	62.6	34%	0.34	33%	0.334	S	S	.	.	S	Bend	trans	-139.4	7.3	-177.6	-167.1	166.8	169.9	175.9	-0.5	115.8	D186 S190 D302 G304	D186-R188 PolarHBondContact OD1-N 3Å; R188-S190 VanDerWaalsContact C-N 3.32Å; R188-D302 HydrophobicContact CB-CB 3.91Å; R188-D302 VanDerWaalsContact CB-O 3.27Å; R188-D302 WeakPolarHBondContact CB-O 3.4Å; R188-D302 WeakPolarHBondContact CD-O 3.38Å; R188-G304 PolarHBondContact NH1-O 2.86Å
189	S	68.2	Low	83.6	Confident	67 Å²	67	67.8 Å²	67.8	47%	0.469	36%	0.361	S	S	.	.	S	Bend	trans	71.8	23.8	-171.7	-32.5	0	0	0	0	113.5	N47 D186 N191	N47-S189 WeakPolarHBondContact ND2-CA 3.35Å; N47-S189 VanDerWaalsContact ND2-CB 3.28Å; N47-S189 WeakPolarHBondContact ND2-CB 3.37Å; N47-S189 PolarHBondContact ND2-N 3.24Å; N47-S189 VanDerWaalsContact ND2-N 3.16Å; N47-S189 PolarHBondContact ND2-OG 2.98Å; N47-S189 PolarHBondContact OD1-OG 3.43Å; D186-S189 WeakPolarHBondContact OD1-CA 3.23Å; D186-S189 PolarHBondContact OD1-N 3.05Å; D186-S189 VanDerWaalsContact OD2-CA 3.3Å; D186-S189 WeakPolarHBondContact OD2-CA 3.2Å; D186-S189 PolarHBondContact OD2-N 2.54Å; S189-N191 PolarHBondContact O-N 3.27Å
190	S	68.5	Low	83	Confident	49 Å²	49	69.4 Å²	69.4	34%	0.343	37%	0.37	S	S	.	.			trans	-69.3	-16	179	60.7	0	0	0	0	112.4	D186 R188 S192 D302	D186-S190 PolarHBondContact OD1-N 2.72Å; R188-S190 VanDerWaalsContact C-N 3.32Å; S190-S192 VanDerWaalsContact CB-OG 3.28Å; S190-S192 WeakPolarHBondContact CB-OG 3.45Å; S190-S192 PolarHBondContact O-N 3.03Å; S190-S192 VanDerWaalsContact O-N 3.1Å; S190-S192 VanDerWaalsContact OG-CB 3.28Å; S190-S192 WeakPolarHBondContact OG-CB 3.35Å; S190-S192 PolarHBondContact OG-N 3.14Å; S190-S192 VanDerWaalsContact OG-N 3.09Å; S190-S192 PolarHBondContact OG-OG 3.12Å; S190-S192 VanDerWaalsContact OG-OG 3.07Å; S190-D302 WeakPolarHBondContact CB-OD1 3.39Å; S190-D302 PolarHBondContact OG-OD1 2.72Å; S190-D302 PolarHBondContact OG-OD2 2.86Å
191	N	72.3	Confident	82.7	Confident	145 Å²	145	70.3 Å²	70.3	78%	0.775	37%	0.373	S	S	*	.	S	Bend	trans	54.2	13.5	-164	-65.7	-36.1	0	0	0	113.4	S189 Y193	S189-N191 PolarHBondContact O-N 3.27Å; N191-Y193 PolarHBondContact O-N 2.89Å
192	S	81	Confident	82.5	Confident	77 Å²	77	72 Å²	72	54%	0.538	38%	0.382	S	S	.	.	S	Bend	trans	-68.5	-27.3	176.7	-58.4	0	0	0	0	112	S190	S190-S192 VanDerWaalsContact CB-OG 3.28Å; S190-S192 WeakPolarHBondContact CB-OG 3.45Å; S190-S192 PolarHBondContact O-N 3.03Å; S190-S192 VanDerWaalsContact O-N 3.1Å; S190-S192 VanDerWaalsContact OG-CB 3.28Å; S190-S192 WeakPolarHBondContact OG-CB 3.35Å; S190-S192 PolarHBondContact OG-N 3.14Å; S190-S192 VanDerWaalsContact OG-N 3.09Å; S190-S192 PolarHBondContact OG-OG 3.12Å; S190-S192 VanDerWaalsContact OG-OG 3.07Å
193	Y	84.8	Confident	82.4	Confident	67 Å²	67	72.6 Å²	72.6	26%	0.263	39%	0.392	S	S	.	.	S	Bend	trans	-132.3	156.6	-178.1	-63.8	-64.4	0	0	0	111.8	K184 D186 N191 E301 D302	K184-Y193 HydrophobicContact CB-CD1 3.63Å; K184-Y193 HydrophobicContact CB-CE1 3.71Å; K184-Y193 HydrophobicContact CB-CG 4.09Å; K184-Y193 HydrophobicContact CD-CD1 4.43Å; K184-Y193 HydrophobicContact CD-CE1 3.64Å; K184-Y193 HydrophobicContact CD-CE2 4.25Å; K184-Y193 WeakPolarHBondContact CD-OH 3.49Å; K184-Y193 HydrophobicContact CG-CE1 4.24Å; D186-Y193 WeakPolarHBondContact CB-O 3.48Å; N191-Y193 PolarHBondContact O-N 2.89Å; Y193-E301 PolarHBondContact OH-OE1 3.09Å; Y193-D302 WeakPolarHBondContact CD2-OD2 3.36Å
194	P	84.9	Confident	82.5	Confident	94 Å²	94	71.5 Å²	71.5	61%	0.61	38%	0.384	S	S	*	.			trans	-58.7	149.8	168.6	-20.6	32.6	0	0	0	110.7	C185 D186 C196	C185-P194 CarbonylContact C-O 3.5Å; C185-P194 WeakPolarHBondContact CA-O 3.23Å; C185-P194 WeakPolarHBondContact CB-O 3.44Å; D186-P194 PolarHBondContact N-O 2.89Å; P194-C196 PolarHBondContact O-N 3.35Å
195	K	84.7	Confident	82.6	Confident	152 Å²	152	73.1 Å²	73.1	66%	0.661	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-56.1	143.6	171.4	-63.5	-178.7	-179	177.3	0	109.4	G197	K195-G197 PolarHBondContact O-N 2.97Å
196	C	82.4	Confident	83	Confident	17 Å²	17	75.6 Å²	75.6	12%	0.115	42%	0.419	C	S	.	.			trans	-58.9	-9.4	-179.2	-60	0	0	0	0	115.3	K108 C185 H187 P194	K108-C196 HydrophobicContact CD-CB 3.93Å; K108-C196 VanDerWaalsContact CE-CB 3.49Å; K108-C196 HydrophobicContact CG-CB 3.92Å; K108-C196 VanDerWaalsContact CG-O 3.29Å; K108-C196 WeakPolarHBondContact CG-O 3.36Å; C185-C196 HydrophobicContact CB-CB 3.64Å; C185-C196 WeakPolarHBondContact CB-SG 3.35Å; C185-C196 WeakPolarHBondContact SG-CA 3.33Å; C185-C196 WeakPolarHBondContact SG-CB 3.44Å; C185-C196 CovalentContact SG-SG 2.03Å; C185-C196 PolarHBondContact SG-SG 3.48Å; H187-C196 VanDerWaalsContact CD2-SG 3.58Å; H187-C196 PolarHBondContact NE2-SG 3.45Å; H187-C196 VanDerWaalsContact NE2-SG 3.43Å; P194-C196 PolarHBondContact O-N 3.35Å
197	G	78.1	Confident	83.4	Confident	29 Å²	29	78.4 Å²	78.4	30%	0.299	44%	0.436	S	S	.	.			trans	68	-165.9	-178.6	0	0	0	0	0	112.2	K195	K195-G197 PolarHBondContact O-N 2.97Å
198	Y	77.1	Confident	84.1	Confident	180 Å²	180	85.3 Å²	85.3	71%	0.706	47%	0.467	S	S	*	.	S	Bend	trans	-111.9	-6.7	175.8	-61.4	-81.4	0	0	0	112.3	K50	K50-Y198 HydrophobicContact CD-CE1 4.34Å; K50-Y198 PolarHBondContact NZ-OH 2.95Å; K50-Y198 VanDerWaalsContact NZ-OH 3.15Å
199	I	79.6	Confident	85.2	Confident	126 Å²	126	85.3 Å²	85.3	65%	0.646	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-83.2	120.8	-176	-59.9	176.1	0	0	0	108.2	K108	K108-I199 VanDerWaalsContact CB-O 3.3Å; K108-I199 WeakPolarHBondContact CB-O 3.23Å
200	T	84.1	Confident	86.6	Confident	69 Å²	69	83.4 Å²	83.4	42%	0.423	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-86.5	135.1	168.2	50.2	0	0	0	0	109.1	N57 K108	N57-T200 HydrophobicContact CB-CG2 4.13Å; N57-T200 VanDerWaalsContact O-CG2 3.24Å; N57-T200 WeakPolarHBondContact O-CG2 3.41Å; K108-T200 WeakPolarHBondContact O-CA 3.39Å
201	Y	90.3	Very high	87.9	Confident	72 Å²	72	86.3 Å²	86.3	28%	0.282	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-83.4	144.5	-178.9	-65	-71.5	0	0	0	110.9	S107 K108 C152 F182 P183	S107-Y201 WeakPolarHBondContact OG-CE2 3.35Å; K108-Y201 HydrophobicContact CB-CD2 4.02Å; K108-Y201 HydrophobicContact CB-CE2 4.18Å; K108-Y201 PolarHBondContact O-N 3.29Å; C152-Y201 WeakPolarHBondContact CB-O 3.37Å; F182-Y201 HydrophobicContact CB-CD2 3.86Å; F182-Y201 HydrophobicContact CB-CE2 3.98Å; F182-Y201 HydrophobicContact CB-CG 4.33Å; F182-Y201 AromaticContact CD1-CD1 3.58Å; F182-Y201 HydrophobicContact CD1-CD1 3.58Å; F182-Y201 AromaticContact CD1-CD2 3.83Å; F182-Y201 HydrophobicContact CD1-CD2 3.83Å; F182-Y201 HydrophobicContact CD1-CE1 4.17Å; F182-Y201 HydrophobicContact CD1-CE2 4.4Å; F182-Y201 AromaticContact CD1-CG 3.39Å; F182-Y201 HydrophobicContact CD1-CG 3.39Å; F182-Y201 HydrophobicContact CD2-CD2 4.49Å; F182-Y201 AromaticContact CE1-CD1 3.94Å; F182-Y201 HydrophobicContact CE1-CD1 3.94Å; F182-Y201 AromaticContact CE1-CG 3.76Å; F182-Y201 HydrophobicContact CE1-CG 3.76Å; F182-Y201 HydrophobicContact CG-CD1 4.39Å; F182-Y201 AromaticContact CG-CD2 3.8Å; F182-Y201 HydrophobicContact CG-CD2 3.8Å; F182-Y201 HydrophobicContact CG-CE2 4.37Å; F182-Y201 AromaticContact CG-CG 3.83Å; F182-Y201 HydrophobicContact CG-CG 3.83Å; F182-Y201 HydrophobicContact CZ-CG 4.46Å; P183-Y201 WeakPolarHBondContact CD-OH 3.47Å; P183-Y201 WeakPolarHBondContact CG-OH 3.24Å
202	T	91.4	Very high	89.1	Confident	107 Å²	107	85.7 Å²	85.7	66%	0.656	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-96.8	149.2	169.3	55.8	0	0	0	0	109.9
203	A	92	Very high	89.8	Confident	36 Å²	36	85.8 Å²	85.8	30%	0.298	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-59.2	132.6	173.8	0	0	0	0	0	110.7	I143	I143-A203 HydrophobicContact CG2-CB 3.63Å
204	P	93	Very high	90.4	Very high	45 Å²	45	84.5 Å²	84.5	29%	0.292	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-66.7	158.9	171.5	30.1	-34.5	0	0	0	110.1	I140 S144	I140-P204 HydrophobicContact CD1-CG 3.55Å; I140-P204 HydrophobicContact CG1-CG 3.68Å; S144-P204 VanDerWaalsContact CB-O 3.26Å; S144-P204 WeakPolarHBondContact CB-O 3.36Å
205	P	94.5	Very high	91	Very high	107 Å²	107	85.6 Å²	85.6	70%	0.695	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-59.1	145.3	171.8	26.6	-34.5	0	0	0	110.6	T207	P205-T207 PolarHBondContact O-N 3.11Å; P205-T207 VanDerWaalsContact O-N 3.14Å
206	C	96.2	Very high	91.6	Very high	56 Å²	56	81.7 Å²	81.7	38%	0.378	47%	0.474	S	S	.	.			trans	-62.9	115.4	173	176.1	0	0	0	0	110.5	S144 C145	S144-C206 WeakPolarHBondContact O-CB 3.4Å; C145-C206 VanDerWaalsContact CA-SG 3.54Å; C145-C206 HydrophobicContact CB-CB 3.99Å; C145-C206 WeakPolarHBondContact CB-SG 3.21Å; C145-C206 VanDerWaalsContact SG-CA 3.56Å; C145-C206 WeakPolarHBondContact SG-CB 3.25Å; C145-C206 CovalentContact SG-SG 2.04Å; C145-C206 PolarHBondContact SG-SG 2.86Å
207	T	92.7	Very high	92.4	Very high	61 Å²	61	85.2 Å²	85.2	37%	0.374	50%	0.497	S	S	.	.			trans	-109.8	121.3	173.6	58.2	0	0	0	0	109.9	P205 T209	P205-T207 PolarHBondContact O-N 3.11Å; P205-T207 VanDerWaalsContact O-N 3.14Å; T207-T209 PolarHBondContact O-N 2.85Å; T207-T209 VanDerWaalsContact O-N 3.15Å
208	K	96.1	Very high	93.3	Very high	146 Å²	146	85 Å²	85	64%	0.635	49%	0.487	S	S	*	.	S	Bend	trans	-88.1	42.2	175.3	-62.5	-169.9	179.5	-175.8	0	112.2	Y218	K208-Y218 VanDerWaalsContact C-CG 3.44Å; K208-Y218 HydrophobicContact CB-CD1 4.07Å; K208-Y218 HydrophobicContact CB-CE1 3.65Å; K208-Y218 HydrophobicContact CG-CE1 4.05Å; K208-Y218 VanDerWaalsContact O-CD1 3.31Å; K208-Y218 WeakPolarHBondContact O-CD1 3.4Å
209	T	97.3	Very high	94.3	Very high	90 Å²	90	85 Å²	85	55%	0.552	49%	0.491	S	S	*	.	S	Bend	trans	-146.8	132.8	-175.3	50.4	0	0	0	0	108.8	T207	T207-T209 PolarHBondContact O-N 2.85Å; T207-T209 VanDerWaalsContact O-N 3.15Å
210	C	98.1	Very high	95.1	Very high	26 Å²	26	82.3 Å²	82.3	18%	0.176	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-67.3	165.2	174.1	-58.1	0	0	0	0	111.4	C177 Y214 Y218	C177-C210 HydrophobicContact CB-CB 3.86Å; C177-C210 WeakPolarHBondContact CB-SG 3.25Å; C177-C210 WeakPolarHBondContact O-CA 3.23Å; C177-C210 WeakPolarHBondContact SG-CA 3.44Å; C177-C210 WeakPolarHBondContact SG-CB 3.25Å; C177-C210 CovalentContact SG-SG 2.03Å; C177-C210 PolarHBondContact SG-SG 3.42Å; C210-Y214 HydrophobicContact CB-CD1 3.7Å; C210-Y214 HydrophobicContact CB-CG 4.22Å; C210-Y214 VanDerWaalsContact SG-CD1 3.59Å; C210-Y218 WeakPolarHBondContact SG-CA 3.32Å
211	R	96.4	Very high	95.8	Very high	111 Å²	111	79.4 Å²	79.4	42%	0.419	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-55.2	150.6	170.5	68.8	-178.4	-177.6	138.5	15.3	111.7	P174 T175 G176 C177 G213 Y214	P174-R211 PolarHBondContact O-NH1 2.91Å; P174-R211 VanDerWaalsContact O-NH1 3.09Å; T175-R211 PolarHBondContact O-NH2 2.58Å; G176-R211 WeakPolarHBondContact O-CD 3.35Å; G176-R211 PolarHBondContact O-NE 3.14Å; C177-R211 PolarHBondContact O-N 2.79Å; R211-G213 PolarHBondContact O-N 2.95Å; R211-Y214 WeakPolarHBondContact O-CB 3.36Å; R211-Y214 PolarHBondContact O-N 3.38Å
212	S	96.4	Very high	96.1	Very high	131 Å²	131	76.8 Å²	76.8	92%	0.916	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	136.3	176.8	-171.3	0	0	0	0	111.3	Y214	S212-Y214 VanDerWaalsContact C-N 3.31Å; S212-Y214 PolarHBondContact O-N 2.77Å
213	G	96.1	Very high	96.5	Very high	79 Å²	79	72.9 Å²	72.9	81%	0.814	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-5.8	-179.1	0	0	0	0	0	115.8	R211	R211-G213 PolarHBondContact O-N 2.95Å
214	Y	97.8	Very high	96.8	Very high	41 Å²	41	74.8 Å²	74.8	16%	0.161	43%	0.434	C	S	.	.			trans	-71.3	128.8	172.7	-172.2	-108.7	0	0	0	110.6	T171 T175 G176 C177 C210 R211 S212 I216 D221	T171-Y214 PolarHBondContact OG1-OH 2.64Å; T171-Y214 VanDerWaalsContact OG1-OH 3.05Å; T175-Y214 WeakPolarHBondContact O-CD2 3.38Å; T175-Y214 WeakPolarHBondContact O-CE2 3.49Å; G176-Y214 VanDerWaalsContact C-CE2 3.47Å; C177-Y214 HydrophobicContact CB-CD1 3.87Å; C177-Y214 HydrophobicContact CB-CE1 3.58Å; C210-Y214 HydrophobicContact CB-CD1 3.7Å; C210-Y214 HydrophobicContact CB-CG 4.22Å; C210-Y214 VanDerWaalsContact SG-CD1 3.59Å; R211-Y214 WeakPolarHBondContact O-CB 3.36Å; R211-Y214 PolarHBondContact O-N 3.38Å; S212-Y214 VanDerWaalsContact C-N 3.31Å; S212-Y214 PolarHBondContact O-N 2.77Å; Y214-I216 HydrophobicContact CD1-CB 4.3Å; Y214-I216 WeakPolarHBondContact CD1-O 3.48Å; Y214-I216 HydrophobicContact CE1-CB 3.65Å; Y214-I216 HydrophobicContact CE1-CG1 4.36Å; Y214-I216 WeakPolarHBondContact CE1-O 3.46Å; Y214-I216 PolarHBondContact O-N 3.2Å; Y214-D221 HydrophobicContact CE1-CB 4.36Å; Y214-D221 PolarHBondContact OH-OD1 3.14Å; Y214-D221 VanDerWaalsContact OH-OD1 3.09Å
215	P	97.4	Very high	97	Very high	116 Å²	116	72.9 Å²	72.9	75%	0.753	42%	0.423	S	S	*	.	S	Bend	trans	-78.8	-21.1	-166.5	29	-35.2	0	0	0	114.5
216	I	97.7	Very high	97.1	Very high	70 Å²	70	75.2 Å²	75.2	36%	0.359	42%	0.418	S	S	.	.	S	Bend	trans	-97.1	126.1	-176.4	-54.6	175.6	0	0	0	109.3	Y214 A220 D221	Y214-I216 HydrophobicContact CD1-CB 4.3Å; Y214-I216 WeakPolarHBondContact CD1-O 3.48Å; Y214-I216 HydrophobicContact CE1-CB 3.65Å; Y214-I216 HydrophobicContact CE1-CG1 4.36Å; Y214-I216 WeakPolarHBondContact CE1-O 3.46Å; Y214-I216 PolarHBondContact O-N 3.2Å; I216-A220 HydrophobicContact CG2-CB 3.85Å; I216-D221 HydrophobicContact CB-CB 4.46Å; I216-D221 HydrophobicContact CG2-CB 3.87Å
217	P	97.7	Very high	97.2	Very high	92 Å²	92	75.4 Å²	75.4	60%	0.597	42%	0.417	S	S	*	.			trans	-58.5	142.8	175.5	-25.3	34.5	0	0	0	112.4	K219 A220 D221	P217-K219 PolarHBondContact O-N 3.17Å; P217-A220 HydrophobicContact CB-CB 4.36Å; P217-A220 WeakPolarHBondContact O-CA 3.49Å; P217-A220 WeakPolarHBondContact O-CB 3.25Å; P217-A220 PolarHBondContact O-N 2.99Å; P217-D221 PolarHBondContact O-N 2.63Å; P217-D221 VanDerWaalsContact O-N 3.12Å
218	Y	98.2	Very high	97.4	Very high	23 Å²	23	73.4 Å²	73.4	9%	0.09	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-39.7	-177	172.1	-91.3	0	0	0	114.9	E141 V170 L178 K208 C210 K222	E141-Y218 VanDerWaalsContact OE1-CE2 3.31Å; E141-Y218 WeakPolarHBondContact OE1-CE2 3.18Å; E141-Y218 PolarHBondContact OE1-OH 3.02Å; V170-Y218 HydrophobicContact CG1-CD2 3.72Å; V170-Y218 HydrophobicContact CG1-CE2 3.73Å; V170-Y218 HydrophobicContact CG1-CG 4.38Å; V170-Y218 WeakPolarHBondContact CG1-O 3.48Å; V170-Y218 HydrophobicContact CG2-CE2 4.44Å; L178-Y218 HydrophobicContact CD1-CE2 4.05Å; K208-Y218 VanDerWaalsContact C-CG 3.44Å; K208-Y218 HydrophobicContact CB-CD1 4.07Å; K208-Y218 HydrophobicContact CB-CE1 3.65Å; K208-Y218 HydrophobicContact CG-CE1 4.05Å; K208-Y218 VanDerWaalsContact O-CD1 3.31Å; K208-Y218 WeakPolarHBondContact O-CD1 3.4Å; C210-Y218 WeakPolarHBondContact SG-CA 3.32Å; Y218-K222 PolarHBondContact OH-NZ 3.39Å
219	K	97.3	Very high	97.5	Very high	180 Å²	180	66.8 Å²	66.8	78%	0.783	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-29.7	178.1	-69.4	-175.2	178.8	179.6	0	113.4	P217	P217-K219 PolarHBondContact O-N 3.17Å
220	A	97.1	Very high	97.5	Very high	71 Å²	71	63.5 Å²	63.5	59%	0.587	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-20.4	-179.4	0	0	0	0	0	112.4	I216 P217 K222	I216-A220 HydrophobicContact CG2-CB 3.85Å; P217-A220 HydrophobicContact CB-CB 4.36Å; P217-A220 WeakPolarHBondContact O-CA 3.49Å; P217-A220 WeakPolarHBondContact O-CB 3.25Å; P217-A220 PolarHBondContact O-N 2.99Å; A220-K222 VanDerWaalsContact C-N 3.26Å; A220-K222 PolarHBondContact O-N 3.07Å
221	D	97.8	Very high	97.4	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.043	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.8	177.4	-163.2	49	0	0	0	113.7	V170 T171 C177 Y214 I216 P217 H223	V170-D221 WeakPolarHBondContact CA-O 3.33Å; V170-D221 HydrophobicContact CB-CB 4.35Å; V170-D221 WeakPolarHBondContact CB-OD2 3.24Å; V170-D221 HydrophobicContact CG1-CB 4.25Å; T171-D221 WeakPolarHBondContact CB-OD2 3.4Å; T171-D221 PolarHBondContact N-OD2 2.96Å; T171-D221 PolarHBondContact OG1-OD2 2.88Å; C177-D221 WeakPolarHBondContact CB-OD2 3.45Å; Y214-D221 HydrophobicContact CE1-CB 4.36Å; Y214-D221 PolarHBondContact OH-OD1 3.14Å; Y214-D221 VanDerWaalsContact OH-OD1 3.09Å; I216-D221 HydrophobicContact CB-CB 4.46Å; I216-D221 HydrophobicContact CG2-CB 3.87Å; P217-D221 PolarHBondContact O-N 2.63Å; P217-D221 VanDerWaalsContact O-N 3.12Å; D221-H223 PolarHBondContact O-CE1 2.71Å; D221-H223 PolarHBondContact O-ND1 3.41Å
222	K	97.9	Very high	97.4	Very high	16 Å²	16	60.6 Å²	60.6	7%	0.07	34%	0.341	C	S	.	.			trans	-81.6	127.8	-173.8	-74.3	-65.8	-167	170.5	0	112.6	E141 N167 G168 V170 Y218 A220 Y224	E141-K222 IonicContact OE1-NZ 2.82Å; E141-K222 PolarHBondContact OE1-NZ 3.33Å; E141-K222 IonicContact OE2-NZ 3.89Å; E141-K222 PolarHBondContact OE2-NZ 2.96Å; N167-K222 WeakPolarHBondContact O-CD 3.13Å; N167-K222 WeakPolarHBondContact O-CE 3.45Å; N167-K222 PolarHBondContact O-NZ 3.41Å; G168-K222 PolarHBondContact O-NZ 3.24Å; V170-K222 HydrophobicContact CG1-CD 3.67Å; V170-K222 HydrophobicContact CG1-CG 4.28Å; Y218-K222 PolarHBondContact OH-NZ 3.39Å; A220-K222 VanDerWaalsContact C-N 3.26Å; A220-K222 PolarHBondContact O-N 3.07Å; K222-Y224 HydrophobicContact CB-CD2 4.17Å; K222-Y224 HydrophobicContact CB-CE2 3.34Å; K222-Y224 HydrophobicContact CG-CE2 4.45Å; K222-Y224 WeakPolarHBondContact O-CD2 3.24Å; K222-Y224 WeakPolarHBondContact O-CE2 2.97Å
223	H	98.1	Very high	97.3	Very high	25 Å²	25	57.9 Å²	57.9	12%	0.116	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-111	122.1	175.7	-57.6	75	0	0	0	109.7	L137 W164 G168 L169 D221	L137-H223 HydrophobicContact CD2-CB 3.91Å; W164-H223 VanDerWaalsContact CD1-O 3.32Å; W164-H223 PolarHBondContact NE1-O 3.25Å; G168-H223 CarbonylContact C-O 3.45Å; G168-H223 WeakPolarHBondContact CA-O 3.26Å; L169-H223 PolarHBondContact N-O 2.82Å; L169-H223 PolarHBondContact O-N 3.16Å; L169-H223 PolarHBondContact O-ND1 3.14Å; D221-H223 PolarHBondContact O-CE1 2.71Å; D221-H223 PolarHBondContact O-ND1 3.41Å
224	Y	98.2	Very high	97.3	Very high	76 Å²	76	56 Å²	56	30%	0.298	29%	0.292	S	S	.	.			trans	-107	153.5	-168.2	-64.2	-103.6	0	0	0	113	W164 K222 D330 T333	W164-Y224 VanDerWaalsContact NE1-C 3.3Å; K222-Y224 HydrophobicContact CB-CD2 4.17Å; K222-Y224 HydrophobicContact CB-CE2 3.34Å; K222-Y224 HydrophobicContact CG-CE2 4.45Å; K222-Y224 WeakPolarHBondContact O-CD2 3.24Å; K222-Y224 WeakPolarHBondContact O-CE2 2.97Å; Y224-D330 PolarHBondContact O-N 2.88Å; Y224-T333 HydrophobicContact CD2-CG2 3.34Å; Y224-T333 HydrophobicContact CE2-CG2 4.06Å; Y224-T333 HydrophobicContact CG-CG2 4.06Å
225	G	97.9	Very high	97.3	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	150.3	166.3	0	0	0	0	0	110.8	L165	L165-G225 WeakPolarHBondContact CD1-O 3.38Å
226	R	97.5	Very high	97.3	Very high	156 Å²	156	52.8 Å²	52.8	59%	0.589	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	-38.9	172.2	-177.7	172.4	65.7	110.2	-6.4	112.2	K328 V329 D330	R226-K328 PolarHBondContact N-O 3.1Å; R226-V329 WeakPolarHBondContact CB-O 3.47Å; R226-D330 HydrophobicContact CB-CB 4.13Å
227	V	97.3	Very high	97.3	Very high	59 Å²	59	49.5 Å²	49.5	36%	0.358	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	149.7	178.3	63.8	0	0	0	0	110	Y229 G327 K328	V227-Y229 HydrophobicContact CG1-CD1 4.35Å; V227-Y229 HydrophobicContact CG1-CE1 4.11Å; V227-Y229 HydrophobicContact CG2-CD1 4.34Å; V227-G327 CarbonylContact O-C 3.53Å; V227-G327 WeakPolarHBondContact O-CA 3.47Å; V227-K328 HydrophobicContact CG1-CB 3.82Å; V227-K328 HydrophobicContact CG1-CD 4.22Å; V227-K328 HydrophobicContact CG1-CG 3.92Å; V227-K328 PolarHBondContact N-O 3.15Å; V227-K328 PolarHBondContact O-N 3.34Å
228	I	97.6	Very high	97.4	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.1	177.3	64	-178	0	0	0	109.6	L72 W161 D162 W164 L165 A326	L72-I228 HydrophobicContact CD2-CD1 3.53Å; L72-I228 HydrophobicContact CD2-CG1 3.89Å; W161-I228 HydrophobicContact CB-CB 4.18Å; W161-I228 HydrophobicContact CB-CD1 4.21Å; W161-I228 HydrophobicContact CB-CG2 4.06Å; W161-I228 HydrophobicContact CE3-CG2 4.19Å; D162-I228 HydrophobicContact CB-CD1 4.26Å; W164-I228 HydrophobicContact CE3-CG2 3.87Å; W164-I228 HydrophobicContact CZ3-CG2 3.99Å; L165-I228 HydrophobicContact CB-CD1 4.12Å; L165-I228 HydrophobicContact CB-CG2 4.01Å; L165-I228 HydrophobicContact CD2-CD1 3.88Å; L165-I228 HydrophobicContact CD2-CG1 3.96Å; I228-A326 WeakPolarHBondContact CA-O 3.46Å
229	Y	97.8	Very high	97.4	Very high	8 Å²	8	45.1 Å²	45.1	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	159.1	-176.3	43	-96.7	0	0	0	111.3	S73 I75 V227 L231 E241 A326 K328	S73-Y229 WeakPolarHBondContact O-CA 3.4Å; S73-Y229 WeakPolarHBondContact O-CB 3.39Å; I75-Y229 HydrophobicContact CD1-CD1 4.2Å; I75-Y229 HydrophobicContact CD1-CD2 3.33Å; I75-Y229 HydrophobicContact CD1-CE1 4.24Å; I75-Y229 HydrophobicContact CD1-CE2 3.36Å; I75-Y229 HydrophobicContact CD1-CG 3.77Å; I75-Y229 HydrophobicContact CG1-CD2 3.6Å; I75-Y229 HydrophobicContact CG1-CE2 4.12Å; I75-Y229 HydrophobicContact CG1-CG 3.99Å; I75-Y229 HydrophobicContact CG2-CG 4.17Å; V227-Y229 HydrophobicContact CG1-CD1 4.35Å; V227-Y229 HydrophobicContact CG1-CE1 4.11Å; V227-Y229 HydrophobicContact CG2-CD1 4.34Å; Y229-L231 HydrophobicContact CD2-CD2 4.06Å; Y229-L231 HydrophobicContact CE2-CD2 4.03Å; Y229-E241 PolarHBondContact OH-OE1 2.82Å; Y229-A326 HydrophobicContact CD2-CB 3.95Å; Y229-A326 HydrophobicContact CE2-CB 3.42Å; Y229-A326 VanDerWaalsContact CE2-CB 3.42Å; Y229-A326 PolarHBondContact N-O 2.98Å; Y229-A326 PolarHBondContact O-N 3.43Å; Y229-A326 VanDerWaalsContact O-O 3.07Å; Y229-K328 HydrophobicContact CE1-CG 4.21Å
230	S	97.2	Very high	97.4	Very high	21 Å²	21	37.4 Å²	37.4	15%	0.147	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	151.8	160.6	-60	0	0	0	0	109.3	S73 T74 I75 V324 N325	S73-S230 PolarHBondContact O-N 2.86Å; T74-S230 CarbonylContact C-O 3.1Å; T74-S230 VanDerWaalsContact CA-O 3.27Å; T74-S230 WeakPolarHBondContact CA-O 3.33Å; I75-S230 PolarHBondContact N-O 2.93Å; S230-V324 CarbonylContact C-O 3.55Å; S230-V324 VanDerWaalsContact CA-O 3.26Å; S230-V324 WeakPolarHBondContact CA-O 3.26Å; S230-N325 PolarHBondContact OG-OD1 2.81Å
231	L	96.8	Very high	97.5	Very high	5 Å²	5	34 Å²	34	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	150.1	170.8	-58.5	179.4	0	0	0	110.3	I75 Y229 I238 E241 V248 V324	I75-L231 HydrophobicContact CD1-CD2 3.96Å; I75-L231 HydrophobicContact CG1-CD2 3.74Å; Y229-L231 HydrophobicContact CD2-CD2 4.06Å; Y229-L231 HydrophobicContact CE2-CD2 4.03Å; L231-I238 HydrophobicContact CB-CG1 4.49Å; L231-I238 HydrophobicContact CD1-CB 4.35Å; L231-I238 HydrophobicContact CD1-CG1 4Å; L231-E241 HydrophobicContact CD1-CB 3.59Å; L231-E241 HydrophobicContact CD1-CG 3.72Å; L231-E241 HydrophobicContact CD2-CB 3.96Å; L231-E241 HydrophobicContact CD2-CG 3.91Å; L231-E241 HydrophobicContact CG-CB 4.44Å; L231-E241 HydrophobicContact CG-CG 4.36Å; L231-V248 HydrophobicContact CD1-CG1 4.31Å; L231-V324 HydrophobicContact CB-CB 4.27Å; L231-V324 HydrophobicContact CB-CG1 4.45Å; L231-V324 HydrophobicContact CD1-CB 4.28Å; L231-V324 HydrophobicContact CD1-CG1 3.6Å; L231-V324 HydrophobicContact CG-CB 4.48Å; L231-V324 HydrophobicContact CG-CG1 4.15Å; L231-V324 PolarHBondContact N-O 2.97Å
232	R	95.8	Very high	97.6	Very high	70 Å²	70	33.6 Å²	33.6	26%	0.264	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-58.8	137.8	166.1	-171.5	172.4	61.8	153.8	3.7	108.9	T74 I75 S76 E78 N234 D237	T74-R232 HydrophobicContact CG2-CB 4.07Å; I75-R232 PolarHBondContact O-N 3.11Å; S76-R232 PolarHBondContact OG-NH2 2.84Å; E78-R232 IonicContact OE1-CZ 3.56Å; E78-R232 IonicContact OE1-NH1 3.09Å; E78-R232 PolarHBondContact OE1-NH1 3.12Å; E78-R232 IonicContact OE1-NH2 2.83Å; E78-R232 PolarHBondContact OE1-NH2 3.14Å; E78-R232 IonicContact OE2-CZ 2.64Å; E78-R232 IonicContact OE2-NH1 3.48Å; E78-R232 PolarHBondContact OE2-NH1 3.1Å; E78-R232 IonicContact OE2-NH2 2.6Å; R232-N234 PolarHBondContact NH2-ND2 3.45Å; R232-N234 PolarHBondContact O-N 2.97Å; R232-D237 IonicContact CZ-OD2 3.81Å; R232-D237 VanDerWaalsContact CZ-OD2 3.22Å; R232-D237 IonicContact NE-OD2 3.22Å; R232-D237 PolarHBondContact NE-OD2 3.36Å; R232-D237 IonicContact NH2-OD1 2.9Å; R232-D237 IonicContact NH2-OD2 3.26Å; R232-D237 PolarHBondContact NH2-OD2 2.73Å
233	P	95.2	Very high	97.6	Very high	74 Å²	74	34.8 Å²	34.8	48%	0.481	17%	0.17	S	C	.	.	S	Bend	trans	-78.2	71.6	-172.7	32.9	-38	0	0	0	111.3	E321	P233-E321 WeakPolarHBondContact CA-O 3.38Å; P233-E321 VanDerWaalsContact CB-O 3.23Å; P233-E321 WeakPolarHBondContact CB-O 3.07Å
234	N	95.1	Very high	97.6	Very high	40 Å²	40	36.5 Å²	36.5	21%	0.214	18%	0.179	C	C	.	.	S	Bend	trans	-141	157.7	173.4	79.1	-7.9	0	0	0	110.9	R232 S236 D237 I238	R232-N234 PolarHBondContact NH2-ND2 3.45Å; R232-N234 PolarHBondContact O-N 2.97Å; N234-S236 PolarHBondContact O-N 2.92Å; N234-D237 PolarHBondContact ND2-OD2 3.37Å; N234-D237 VanDerWaalsContact ND2-OD2 3.13Å; N234-D237 WeakPolarHBondContact OD1-CA 3.38Å; N234-D237 WeakPolarHBondContact OD1-CB 3.38Å; N234-D237 PolarHBondContact OD1-N 3.47Å; N234-D237 PolarHBondContact OD1-OD2 2.99Å; N234-I238 VanDerWaalsContact O-CD1 3.23Å; N234-I238 WeakPolarHBondContact O-CD1 3.47Å; N234-I238 VanDerWaalsContact O-CG1 3.24Å; N234-I238 WeakPolarHBondContact O-CG1 3.35Å; N234-I238 PolarHBondContact O-N 3.42Å
235	E	97.7	Very high	97.6	Very high	47 Å²	47	33.9 Å²	33.9	22%	0.22	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-42.7	-177.5	-169.7	-165.2	130.8	0	0	112.8	I238 R239 W293 R313 G314	E235-I238 PolarHBondContact O-N 2.66Å; E235-R239 HydrophobicContact CG-CG 4.38Å; E235-R239 WeakPolarHBondContact O-CG 3.11Å; E235-R239 PolarHBondContact O-N 3.47Å; E235-R239 VanDerWaalsContact OE1-CD 3.26Å; E235-R239 WeakPolarHBondContact OE1-CD 3.32Å; E235-R239 IonicContact OE1-CZ 3.04Å; E235-R239 IonicContact OE1-NE 2.72Å; E235-R239 IonicContact OE1-NH1 2.64Å; E235-R239 PolarHBondContact OE1-NH1 3.29Å; E235-W293 HydrophobicContact CB-CZ2 4.48Å; E235-W293 HydrophobicContact CG-CH2 4.15Å; E235-W293 HydrophobicContact CG-CZ2 3.8Å; E235-R313 VanDerWaalsContact CD-NH1 3.29Å; E235-R313 HydrophobicContact CG-CG 3.67Å; E235-R313 IonicContact OE1-CZ 3.07Å; E235-R313 IonicContact OE1-NH1 3.3Å; E235-R313 PolarHBondContact OE1-NH1 2.69Å; E235-R313 IonicContact OE2-NH1 2.98Å; E235-G314 WeakPolarHBondContact OE2-CA 3.44Å
236	S	97.7	Very high	97.6	Very high	43 Å²	43	33.6 Å²	33.6	30%	0.301	17%	0.167	S	C	.	.	H	α-helix	trans	-64.3	-46.4	-173.1	-171.1	0	0	0	0	112.2	N234 I238 R239 K240	N234-S236 PolarHBondContact O-N 2.92Å; S236-I238 VanDerWaalsContact C-N 3.35Å; S236-I238 PolarHBondContact O-N 3.44Å; S236-R239 PolarHBondContact O-N 2.74Å; S236-K240 WeakPolarHBondContact O-CB 3.44Å; S236-K240 VanDerWaalsContact O-CG 3.29Å; S236-K240 WeakPolarHBondContact O-CG 3.01Å; S236-K240 PolarHBondContact O-N 3.06Å
237	D	98	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.3	-37.1	-179.1	-60.5	-37.5	0	0	0	110.9	S76 H77 E78 R232 N234 K240 E241	S76-D237 PolarHBondContact OG-OD2 3.2Å; H77-D237 WeakPolarHBondContact CA-OD1 2.72Å; H77-D237 HydrophobicContact CB-CB 4.49Å; H77-D237 PolarHBondContact CD2-O 3.2Å; H77-D237 PolarHBondContact N-OD1 3.42Å; E78-D237 PolarHBondContact N-OD1 2.93Å; R232-D237 IonicContact CZ-OD2 3.81Å; R232-D237 VanDerWaalsContact CZ-OD2 3.22Å; R232-D237 IonicContact NE-OD2 3.22Å; R232-D237 PolarHBondContact NE-OD2 3.36Å; R232-D237 IonicContact NH2-OD1 2.9Å; R232-D237 IonicContact NH2-OD2 3.26Å; R232-D237 PolarHBondContact NH2-OD2 2.73Å; N234-D237 PolarHBondContact ND2-OD2 3.37Å; N234-D237 VanDerWaalsContact ND2-OD2 3.13Å; N234-D237 WeakPolarHBondContact OD1-CA 3.38Å; N234-D237 WeakPolarHBondContact OD1-CB 3.38Å; N234-D237 PolarHBondContact OD1-N 3.47Å; N234-D237 PolarHBondContact OD1-OD2 2.99Å; D237-K240 PolarHBondContact O-N 3.48Å; D237-E241 VanDerWaalsContact O-CB 3.3Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 PolarHBondContact O-N 3.36Å
238	I	98.6	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-45.8	174.9	-60.9	163.9	0	0	0	110.9	L231 N234 E235 S236 E241 I242 V248 I281 W293 E321 V324	L231-I238 HydrophobicContact CB-CG1 4.49Å; L231-I238 HydrophobicContact CD1-CB 4.35Å; L231-I238 HydrophobicContact CD1-CG1 4Å; N234-I238 VanDerWaalsContact O-CD1 3.23Å; N234-I238 WeakPolarHBondContact O-CD1 3.47Å; N234-I238 VanDerWaalsContact O-CG1 3.24Å; N234-I238 WeakPolarHBondContact O-CG1 3.35Å; N234-I238 PolarHBondContact O-N 3.42Å; E235-I238 PolarHBondContact O-N 2.66Å; S236-I238 VanDerWaalsContact C-N 3.35Å; S236-I238 PolarHBondContact O-N 3.44Å; I238-E241 PolarHBondContact O-N 3.17Å; I238-I242 HydrophobicContact CG2-CD1 3.86Å; I238-I242 VanDerWaalsContact O-CG1 3.32Å; I238-I242 WeakPolarHBondContact O-CG1 3.13Å; I238-I242 PolarHBondContact O-N 3.46Å; I238-V248 HydrophobicContact CG2-CG2 4.41Å; I238-I281 HydrophobicContact CG2-CD1 4.47Å; I238-W293 HydrophobicContact CB-CH2 3.69Å; I238-W293 HydrophobicContact CB-CZ2 4.07Å; I238-W293 HydrophobicContact CD1-CZ2 4.34Å; I238-W293 HydrophobicContact CG2-CH2 3.41Å; I238-W293 VanDerWaalsContact CG2-CH2 3.41Å; I238-W293 HydrophobicContact CG2-CZ2 3.9Å; I238-W293 HydrophobicContact CG2-CZ3 3.87Å; I238-E321 HydrophobicContact CD1-CB 3.73Å; I238-E321 HydrophobicContact CD1-CG 3.75Å; I238-V324 HydrophobicContact CD1-CG2 3.74Å; I238-V324 HydrophobicContact CG1-CB 4.41Å; I238-V324 HydrophobicContact CG1-CG1 4.41Å; I238-V324 HydrophobicContact CG1-CG2 4.09Å
239	R	98.6	Very high	97.8	Very high	24 Å²	24	22.5 Å²	22.5	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-48.5	177.2	-72.2	171.5	69.8	-171.7	-1.8	111.5	L84 P85 E235 S236 E241 I242 M243 W284 W293	L84-R239 HydrophobicContact CD1-CB 3.96Å; L84-R239 HydrophobicContact CD2-CB 3.78Å; L84-R239 HydrophobicContact CG-CB 4.47Å; P85-R239 PolarHBondContact O-NH2 3.41Å; E235-R239 HydrophobicContact CG-CG 4.38Å; E235-R239 WeakPolarHBondContact O-CG 3.11Å; E235-R239 PolarHBondContact O-N 3.47Å; E235-R239 VanDerWaalsContact OE1-CD 3.26Å; E235-R239 WeakPolarHBondContact OE1-CD 3.32Å; E235-R239 IonicContact OE1-CZ 3.04Å; E235-R239 IonicContact OE1-NE 2.72Å; E235-R239 IonicContact OE1-NH1 2.64Å; E235-R239 PolarHBondContact OE1-NH1 3.29Å; S236-R239 PolarHBondContact O-N 2.74Å; R239-E241 PolarHBondContact O-N 2.89Å; R239-I242 PolarHBondContact O-N 3.22Å; R239-M243 PolarHBondContact O-N 2.92Å; R239-W284 HydrophobicContact CB-CE3 4.39Å; R239-W284 HydrophobicContact CB-CH2 3.67Å; R239-W284 HydrophobicContact CB-CZ2 3.94Å; R239-W284 HydrophobicContact CB-CZ3 3.96Å; R239-W284 HydrophobicContact CG-CD2 3.9Å; R239-W284 HydrophobicContact CG-CE3 3.95Å; R239-W284 HydrophobicContact CG-CG 4.49Å; R239-W284 HydrophobicContact CG-CH2 4.04Å; R239-W284 HydrophobicContact CG-CZ2 4.06Å; R239-W284 HydrophobicContact CG-CZ3 4.03Å; R239-W284 VanDerWaalsContact O-CH2 3.25Å; R239-W284 WeakPolarHBondContact O-CH2 3.23Å; R239-W293 HydrophobicContact CG-CH2 3.49Å; R239-W293 VanDerWaalsContact CG-CH2 3.49Å; R239-W293 HydrophobicContact CG-CZ3 3.7Å
240	K	98.5	Very high	97.7	Very high	17 Å²	17	22.1 Å²	22.1	7%	0.074	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-44.6	178.3	-70.7	-178.2	-173.6	-173.2	0	111.4	H77 E80 L84 S236 D237 I242 M243 M244	H77-K240 HydrophobicContact CB-CB 3.87Å; H77-K240 HydrophobicContact CB-CD 3.72Å; H77-K240 HydrophobicContact CB-CG 4.46Å; H77-K240 VanDerWaalsContact O-CD 3.22Å; H77-K240 WeakPolarHBondContact O-CD 3.35Å; H77-K240 PolarHBondContact O-NZ 3.35Å; E80-K240 HydrophobicContact CB-CD 4.21Å; E80-K240 PolarHBondContact O-NZ 3.16Å; L84-K240 HydrophobicContact CD1-CG 4.45Å; L84-K240 HydrophobicContact CD2-CG 3.73Å; L84-K240 HydrophobicContact CG-CG 4.39Å; S236-K240 WeakPolarHBondContact O-CB 3.44Å; S236-K240 VanDerWaalsContact O-CG 3.29Å; S236-K240 WeakPolarHBondContact O-CG 3.01Å; S236-K240 PolarHBondContact O-N 3.06Å; D237-K240 PolarHBondContact O-N 3.48Å; K240-I242 PolarHBondContact O-N 2.91Å; K240-M243 PolarHBondContact O-N 3.12Å; K240-M244 HydrophobicContact CB-CE 4.13Å; K240-M244 WeakPolarHBondContact O-CB 3.29Å; K240-M244 WeakPolarHBondContact O-CE 3.42Å; K240-M244 WeakPolarHBondContact O-CG 2.96Å; K240-M244 PolarHBondContact O-N 2.96Å
241	E	98.7	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60	-46.5	177.6	176	61.3	-168.4	0	0	111.8	H77 R124 Y229 L231 D237 I238 R239 M244 N245 V248 A326	H77-E241 IonicContact CD2-OE2 2.77Å; H77-E241 IonicContact CE1-OE2 3.9Å; H77-E241 PolarHBondContact CE1-OE2 2.7Å; H77-E241 IonicContact NE2-OE2 3.4Å; H77-E241 PolarHBondContact NE2-OE2 3.45Å; R124-E241 IonicContact CZ-OE1 2.66Å; R124-E241 VanDerWaalsContact CZ-OE1 3.26Å; R124-E241 IonicContact NH1-OE1 2.83Å; R124-E241 PolarHBondContact NH1-OE1 2.9Å; R124-E241 IonicContact NH2-OE1 3.71Å; R124-E241 PolarHBondContact NH2-OE1 3.49Å; Y229-E241 PolarHBondContact OH-OE1 2.82Å; L231-E241 HydrophobicContact CD1-CB 3.59Å; L231-E241 HydrophobicContact CD1-CG 3.72Å; L231-E241 HydrophobicContact CD2-CB 3.96Å; L231-E241 HydrophobicContact CD2-CG 3.91Å; L231-E241 HydrophobicContact CG-CB 4.44Å; L231-E241 HydrophobicContact CG-CG 4.36Å; D237-E241 VanDerWaalsContact O-CB 3.3Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 PolarHBondContact O-N 3.36Å; I238-E241 PolarHBondContact O-N 3.17Å; R239-E241 PolarHBondContact O-N 2.89Å; E241-M244 PolarHBondContact O-N 2.79Å; E241-N245 WeakPolarHBondContact O-CB 3.2Å; E241-N245 PolarHBondContact O-N 3.2Å; E241-N245 WeakPolarHBondContact OE1-CB 3.44Å; E241-N245 PolarHBondContact OE1-ND2 2.61Å; E241-N245 PolarHBondContact OE2-ND2 3.47Å; E241-V248 HydrophobicContact CG-CG1 3.7Å; E241-A326 HydrophobicContact CG-CB 4.33Å
242	I	98.8	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-45.9	179.7	-69.7	166.1	0	0	0	110.4	F88 W94 I238 R239 K240 M244 G246 V248 I281 W284 W293	F88-I242 HydrophobicContact CD1-CG2 3.88Å; F88-I242 HydrophobicContact CE1-CG2 3.66Å; W94-I242 WeakPolarHBondContact CH2-O 3.22Å; I238-I242 HydrophobicContact CG2-CD1 3.86Å; I238-I242 VanDerWaalsContact O-CG1 3.32Å; I238-I242 WeakPolarHBondContact O-CG1 3.13Å; I238-I242 PolarHBondContact O-N 3.46Å; R239-I242 PolarHBondContact O-N 3.22Å; K240-I242 PolarHBondContact O-N 2.91Å; I242-M244 PolarHBondContact O-N 2.82Å; I242-G246 WeakPolarHBondContact CA-O 3.46Å; I242-G246 VanDerWaalsContact O-CA 3.28Å; I242-G246 WeakPolarHBondContact O-CA 3.39Å; I242-G246 PolarHBondContact O-N 2.91Å; I242-V248 HydrophobicContact CD1-CG2 3.92Å; I242-V248 HydrophobicContact CG1-CG1 3.94Å; I242-V248 HydrophobicContact CG1-CG2 3.89Å; I242-I281 HydrophobicContact CD1-CB 4.1Å; I242-I281 HydrophobicContact CD1-CG2 3.61Å; I242-W284 HydrophobicContact CB-CZ3 3.94Å; I242-W284 HydrophobicContact CD1-CZ3 4.45Å; I242-W284 HydrophobicContact CG2-CZ3 3.83Å; I242-W293 HydrophobicContact CD1-CZ3 4.15Å
243	M	98.1	Very high	97.5	Very high	41 Å²	41	19.6 Å²	19.6	20%	0.202	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-40.8	178.4	-96.7	164.8	84.1	0	0	113.6	I82 L84 P85 F88 W94 R239 K240 W284	I82-M243 HydrophobicContact CG2-CE 3.55Å; I82-M243 HydrophobicContact CG2-SD 4.4Å; L84-M243 HydrophobicContact CD2-SD 3.61Å; P85-M243 WeakPolarHBondContact CD-SD 3.43Å; P85-M243 HydrophobicContact CG-CE 4.3Å; P85-M243 HydrophobicContact CG-SD 4.18Å; F88-M243 HydrophobicContact CD1-CG 4.49Å; F88-M243 HydrophobicContact CD2-CG 3.65Å; F88-M243 HydrophobicContact CE1-CG 4.47Å; F88-M243 HydrophobicContact CE2-CB 4.47Å; F88-M243 HydrophobicContact CE2-CG 3.61Å; F88-M243 HydrophobicContact CG-CG 4.11Å; F88-M243 HydrophobicContact CZ-CG 4.04Å; W94-M243 WeakPolarHBondContact CH2-O 3.5Å; W94-M243 WeakPolarHBondContact CZ2-O 3Å; R239-M243 PolarHBondContact O-N 2.92Å; K240-M243 PolarHBondContact O-N 3.12Å; M243-W284 HydrophobicContact CB-CH2 4.43Å; M243-W284 HydrophobicContact CG-CH2 3.54Å; M243-W284 HydrophobicContact CG-CZ2 4.13Å; M243-W284 HydrophobicContact SD-CH2 3.59Å; M243-W284 VanDerWaalsContact SD-CH2 3.59Å; M243-W284 HydrophobicContact SD-CZ2 3.67Å
244	M	97.6	Very high	97.5	Very high	60 Å²	60	16 Å²	16	30%	0.296	8%	0.081	S	C	.	.	H	α-helix	trans	-82.6	-41.1	-176	-70.3	-172.7	-71	0	0	112.8	H77 E80 I82 K240 E241 I242	H77-M244 HydrophobicContact CB-CE 4.39Å; E80-M244 HydrophobicContact CG-CE 4.2Å; E80-M244 HydrophobicContact CG-SD 4.37Å; I82-M244 HydrophobicContact CD1-CE 4.19Å; I82-M244 HydrophobicContact CD1-CG 3.55Å; I82-M244 HydrophobicContact CD1-SD 3.41Å; I82-M244 WeakPolarHBondContact CD1-SD 3.45Å; K240-M244 HydrophobicContact CB-CE 4.13Å; K240-M244 WeakPolarHBondContact O-CB 3.29Å; K240-M244 WeakPolarHBondContact O-CE 3.42Å; K240-M244 WeakPolarHBondContact O-CG 2.96Å; K240-M244 PolarHBondContact O-N 2.96Å; E241-M244 PolarHBondContact O-N 2.79Å; I242-M244 PolarHBondContact O-N 2.82Å
245	N	98.3	Very high	97.4	Very high	22 Å²	22	15.8 Å²	15.8	12%	0.118	8%	0.078	C	C	.	.	H	α-helix	trans	-124.9	-3.9	-162.2	-60.1	-60.3	0	0	0	113.6	R124 Q128 E241	R124-N245 WeakPolarHBondContact CG-O 3.35Å; Q128-N245 PolarHBondContact NE2-O 2.65Å; E241-N245 WeakPolarHBondContact O-CB 3.2Å; E241-N245 PolarHBondContact O-N 3.2Å; E241-N245 WeakPolarHBondContact OE1-CB 3.44Å; E241-N245 PolarHBondContact OE1-ND2 2.61Å; E241-N245 PolarHBondContact OE2-ND2 3.47Å
246	G	98.6	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.			trans	93.4	-175.6	177.8	0	0	0	0	0	115.1	R124 I242	R124-G246 PolarHBondContact NH2-O 2.89Å; I242-G246 WeakPolarHBondContact CA-O 3.46Å; I242-G246 VanDerWaalsContact O-CA 3.28Å; I242-G246 WeakPolarHBondContact O-CA 3.39Å; I242-G246 PolarHBondContact O-N 2.91Å
247	P	98.9	Very high	97.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.			trans	-48.5	147.2	-175.5	-32.6	38.7	0	0	0	115.4	I100 D123 R124 R280 I281 I282	I100-P247 HydrophobicContact CG2-CG 4.15Å; D123-P247 HydrophobicContact CB-CB 4.4Å; D123-P247 HydrophobicContact CB-CG 4.06Å; D123-P247 WeakPolarHBondContact OD2-CG 3.32Å; R124-P247 PolarHBondContact NE-O 3.11Å; R124-P247 PolarHBondContact NH2-O 2.83Å; P247-R280 HydrophobicContact CB-CG 3.84Å; P247-I281 VanDerWaalsContact CA-O 3.25Å; P247-I281 WeakPolarHBondContact CA-O 3.4Å; P247-I281 WeakPolarHBondContact CB-O 3.36Å; P247-I282 HydrophobicContact CB-CG2 4.04Å; P247-I282 HydrophobicContact CG-CB 4.3Å; P247-I282 HydrophobicContact CG-CG2 3.98Å
248	V	98.8	Very high	97	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.6	-179.1	-63.1	0	0	0	0	110.6	R124 L231 I238 E241 I242 R280 I281 V324 A326	R124-V248 VanDerWaalsContact NH2-CG1 3.27Å; L231-V248 HydrophobicContact CD1-CG1 4.31Å; I238-V248 HydrophobicContact CG2-CG2 4.41Å; E241-V248 HydrophobicContact CG-CG1 3.7Å; I242-V248 HydrophobicContact CD1-CG2 3.92Å; I242-V248 HydrophobicContact CG1-CG1 3.94Å; I242-V248 HydrophobicContact CG1-CG2 3.89Å; V248-R280 CarbonylContact O-C 3.54Å; V248-R280 WeakPolarHBondContact O-CA 3.02Å; V248-I281 HydrophobicContact CG2-CB 3.8Å; V248-I281 HydrophobicContact CG2-CD1 4.3Å; V248-I281 HydrophobicContact CG2-CG1 4.24Å; V248-I281 PolarHBondContact N-O 3.15Å; V248-I281 VanDerWaalsContact N-O 3.07Å; V248-I281 PolarHBondContact O-N 3.36Å; V248-V324 HydrophobicContact CB-CG1 3.68Å; V248-V324 HydrophobicContact CG1-CG1 4.26Å; V248-V324 HydrophobicContact CG2-CG1 3.5Å; V248-V324 VanDerWaalsContact CG2-CG1 3.5Å; V248-A326 HydrophobicContact CG1-CB 4.12Å
249	E	98.4	Very high	96.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.8	167.3	179.5	-180	-163.8	0	0	109.7	A116 S117 S120 S157 W161 S278 V279 V324 N325	A116-E249 HydrophobicContact CB-CG 3.91Å; S117-E249 VanDerWaalsContact OG-CD 3.24Å; S117-E249 PolarHBondContact OG-OE1 2.84Å; S117-E249 PolarHBondContact OG-OE2 2.5Å; S120-E249 PolarHBondContact OG-N 3.32Å; S157-E249 VanDerWaalsContact CB-OE1 3.24Å; S157-E249 WeakPolarHBondContact CB-OE1 3.22Å; S157-E249 WeakPolarHBondContact CB-OE2 3.46Å; S157-E249 VanDerWaalsContact OG-CD 3.23Å; S157-E249 PolarHBondContact OG-OE1 2.79Å; W161-E249 HydrophobicContact CZ2-CB 4.1Å; W161-E249 PolarHBondContact NE1-OE2 2.91Å; E249-S278 WeakPolarHBondContact OE1-CB 3.48Å; E249-V279 WeakPolarHBondContact CA-O 3.22Å; E249-V324 CarbonylContact O-C 3.49Å; E249-V324 VanDerWaalsContact O-CA 3.3Å; E249-V324 WeakPolarHBondContact O-CA 3.46Å; E249-N325 PolarHBondContact N-O 3.12Å; E249-N325 VanDerWaalsContact N-O 3.11Å; E249-N325 PolarHBondContact O-N 2.85Å
250	A	97.3	Very high	96.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.8	175.7	0	0	0	0	0	111.7	S278 V279 I281 I320 F323 V324	A250-S278 WeakPolarHBondContact O-CA 3.36Å; A250-V279 HydrophobicContact CB-CG2 4.36Å; A250-V279 PolarHBondContact N-O 2.04Å; A250-V279 PolarHBondContact O-N 3.17Å; A250-I281 HydrophobicContact CB-CD1 3.54Å; A250-I281 HydrophobicContact CB-CG1 3.73Å; A250-I320 HydrophobicContact CB-CD1 4Å; A250-F323 CarbonylContact C-O 3.53Å; A250-F323 WeakPolarHBondContact CA-O 3.14Å; A250-V324 HydrophobicContact CB-CG2 4.09Å
251	G	94.9	Very high	96.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	146.3	165.5	0	0	0	0	0	112.4	H277 I320 F323	G251-H277 CarbonylContact C-O 3.54Å; G251-H277 WeakPolarHBondContact CA-O 3.46Å; G251-I320 WeakPolarHBondContact O-CA 3.44Å; G251-F323 PolarHBondContact N-O 2.87Å
252	I	95.3	Very high	96.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.3	173.4	-175.6	175.4	0	0	0	110.7	V254 F258 I276 H277 V279 F309 I311 C318 I320	I252-V254 HydrophobicContact CG2-CG2 4.04Å; I252-V254 PolarHBondContact O-N 3.45Å; I252-F258 HydrophobicContact CD1-CE2 4.38Å; I252-F258 HydrophobicContact CD1-CZ 4.43Å; I252-I276 WeakPolarHBondContact O-CA 3.2Å; I252-H277 HydrophobicContact CG2-CB 3.95Å; I252-H277 WeakPolarHBondContact CG2-O 3.4Å; I252-H277 PolarHBondContact N-O 3.03Å; I252-H277 PolarHBondContact O-N 3.34Å; I252-V279 HydrophobicContact CG2-CG1 3.93Å; I252-V279 HydrophobicContact CG2-CG2 4.27Å; I252-F309 HydrophobicContact CD1-CE2 3.96Å; I252-F309 HydrophobicContact CD1-CZ 4.14Å; I252-I311 HydrophobicContact CD1-CD1 3.58Å; I252-I311 HydrophobicContact CG1-CD1 4.29Å; I252-C318 HydrophobicContact CG1-CB 4Å; I252-I320 HydrophobicContact CB-CD1 3.97Å; I252-I320 HydrophobicContact CD1-CD1 4.46Å; I252-I320 HydrophobicContact CG1-CD1 4.41Å
253	F	94.6	Very high	96.4	Very high	43 Å²	43	15.3 Å²	15.3	19%	0.189	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	101.4	173.1	-79.4	36.3	0	0	0	108.8	H255 L273 I276 C318 E319 F323	F253-H255 PolarHBondContact O-N 3.44Å; F253-H255 PolarHBondContact O-ND1 3.13Å; F253-H255 VanDerWaalsContact O-ND1 3.12Å; F253-L273 HydrophobicContact CB-CD1 3.83Å; F253-L273 HydrophobicContact CD2-CD1 4.12Å; F253-L273 HydrophobicContact CD2-CD2 4.3Å; F253-L273 HydrophobicContact CG-CD1 4.22Å; F253-I276 HydrophobicContact CD1-CD1 4.38Å; F253-I276 HydrophobicContact CD1-CG1 3.96Å; F253-I276 HydrophobicContact CD1-CG2 4.21Å; F253-I276 HydrophobicContact CE1-CD1 3.81Å; F253-I276 HydrophobicContact CE1-CG1 3.9Å; F253-I276 HydrophobicContact CE1-CG2 4.19Å; F253-I276 HydrophobicContact CG-CG1 4.4Å; F253-I276 HydrophobicContact CZ-CD1 3.89Å; F253-I276 HydrophobicContact CZ-CG1 4.29Å; F253-C318 HydrophobicContact CB-CB 4.3Å; F253-C318 WeakPolarHBondContact CB-O 3.08Å; F253-C318 PolarHBondContact N-O 2.87Å; F253-C318 WeakPolarHBondContact O-CB 3.37Å; F253-E319 HydrophobicContact CD1-CB 3.69Å; F253-E319 HydrophobicContact CD1-CG 3.84Å; F253-E319 HydrophobicContact CD2-CG 3.94Å; F253-E319 HydrophobicContact CE1-CB 3.89Å; F253-E319 HydrophobicContact CE1-CG 3.88Å; F253-E319 HydrophobicContact CE2-CG 3.97Å; F253-E319 HydrophobicContact CG-CB 4.1Å; F253-E319 HydrophobicContact CG-CG 3.89Å; F253-E319 HydrophobicContact CZ-CB 4.45Å; F253-E319 HydrophobicContact CZ-CG 3.94Å; F253-F323 AromaticContact CE1-CE2 3.96Å; F253-F323 HydrophobicContact CE1-CE2 3.96Å; F253-F323 HydrophobicContact CZ-CE2 4.41Å
254	V	94.3	Very high	96.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.7	-176.3	-179.7	0	0	0	0	109.5	I252 F258 L259 V274 T275 H277	I252-V254 HydrophobicContact CG2-CG2 4.04Å; I252-V254 PolarHBondContact O-N 3.45Å; V254-F258 HydrophobicContact CG1-CB 4.09Å; V254-F258 HydrophobicContact CG1-CD1 3.75Å; V254-F258 HydrophobicContact CG1-CG 4.28Å; V254-F258 HydrophobicContact CG2-CD1 4.44Å; V254-L259 HydrophobicContact CG1-CD2 3.96Å; V254-V274 HydrophobicContact CB-CG2 4.39Å; V254-V274 HydrophobicContact CG1-CG2 3.87Å; V254-V274 WeakPolarHBondContact O-CG2 3.33Å; V254-V274 PolarHBondContact O-N 2.04Å; V254-T275 WeakPolarHBondContact CA-O 3.09Å; V254-T275 HydrophobicContact CB-CG2 3.57Å; V254-T275 WeakPolarHBondContact CB-O 3.02Å; V254-T275 HydrophobicContact CG1-CG2 4.09Å; V254-T275 HydrophobicContact CG2-CG2 3.74Å; V254-T275 PolarHBondContact N-O 3.44Å; V254-T275 PolarHBondContact O-N 3.26Å; V254-T275 VanDerWaalsContact O-N 3.15Å; V254-H277 HydrophobicContact CG2-CB 3.66Å
255	H	93.9	Very high	96.4	Very high	34 Å²	34	11 Å²	11	16%	0.157	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	161.6	171	-65.9	75.6	0	0	0	110.8	F253 D257 F258 H268 Q272 L273	F253-H255 PolarHBondContact O-N 3.44Å; F253-H255 PolarHBondContact O-ND1 3.13Å; F253-H255 VanDerWaalsContact O-ND1 3.12Å; H255-D257 VanDerWaalsContact CB-OD1 3.26Å; H255-D257 WeakPolarHBondContact CB-OD1 3.16Å; H255-D257 PolarHBondContact O-N 2.78Å; H255-F258 WeakPolarHBondContact O-CB 3.47Å; H255-F258 PolarHBondContact O-N 2.79Å; H255-F258 VanDerWaalsContact O-N 3.12Å; H255-H268 WeakPolarHBondContact CB-CE1 3.45Å; H255-H268 VanDerWaalsContact CB-ND1 3.31Å; H255-H268 WeakPolarHBondContact CB-ND1 3.44Å; H255-H268 AromaticContact CD2-CD2 3.92Å; H255-H268 AromaticContact CD2-CE1 3.39Å; H255-H268 PolarHBondContact CD2-CE1 3.05Å; H255-H268 AromaticContact CD2-ND1 3.89Å; H255-H268 AromaticContact CD2-NE2 3.44Å; H255-H268 PolarHBondContact CD2-NE2 2.93Å; H255-H268 AromaticContact CG-CE1 3.46Å; H255-H268 VanDerWaalsContact CG-CE1 3.46Å; H255-H268 AromaticContact CG-CG 3.91Å; H255-H268 AromaticContact CG-ND1 3.52Å; H255-H268 AromaticContact CG-NE2 3.88Å; H255-Q272 CarbonylContact C-O 3.44Å; H255-Q272 VanDerWaalsContact CA-O 3.32Å; H255-Q272 WeakPolarHBondContact CA-O 3.29Å; H255-L273 PolarHBondContact CD2-N 3.48Å
256	S	93.4	Very high	96.4	Very high	3 Å²	3	10 Å²	10	2%	0.021	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.5	-172.7	58.3	0	0	0	0	114.5	L259 G271 Q272	S256-L259 WeakPolarHBondContact O-CB 3.49Å; S256-G271 WeakPolarHBondContact OG-CA 3.5Å; S256-Q272 PolarHBondContact N-O 3.09Å; S256-Q272 PolarHBondContact OG-N 2.68Å
257	D	95.6	Very high	96.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-36.4	174.1	56.7	-15	0	0	0	112.5	I33 W41 H255 L259 N260 Y266 H268 I269 T270	I33-D257 HydrophobicContact CD1-CB 3.96Å; W41-D257 HydrophobicContact CH2-CB 4.05Å; W41-D257 WeakPolarHBondContact CH2-O 3.36Å; W41-D257 HydrophobicContact CZ2-CB 4.23Å; H255-D257 VanDerWaalsContact CB-OD1 3.26Å; H255-D257 WeakPolarHBondContact CB-OD1 3.16Å; H255-D257 PolarHBondContact O-N 2.78Å; D257-L259 PolarHBondContact O-N 3.2Å; D257-L259 VanDerWaalsContact O-N 3.13Å; D257-N260 PolarHBondContact O-N 3.08Å; D257-Y266 PolarHBondContact OD1-OH 2.86Å; D257-Y266 VanDerWaalsContact OD1-OH 3.14Å; D257-H268 IonicContact OD1-CE1 3.52Å; D257-H268 IonicContact OD1-ND1 2.75Å; D257-H268 PolarHBondContact OD1-ND1 3.41Å; D257-H268 IonicContact OD2-CE1 3.71Å; D257-H268 IonicContact OD2-CG 3.85Å; D257-H268 IonicContact OD2-ND1 3.06Å; D257-H268 PolarHBondContact OD2-ND1 3.46Å; D257-H268 VanDerWaalsContact OD2-ND1 3.07Å; D257-I269 PolarHBondContact OD2-N 3.47Å; D257-T270 VanDerWaalsContact CB-O 3.22Å; D257-T270 WeakPolarHBondContact CB-O 3.3Å; D257-T270 PolarHBondContact OD2-N 3.44Å; D257-T270 VanDerWaalsContact OD2-O 3.05Å
258	F	96.5	Very high	96.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-56.1	-30.2	175.4	-172.8	-100.4	0	0	0	113.2	I252 V254 H255 N260 Y261 Y266 W299 W303 F309	I252-F258 HydrophobicContact CD1-CE2 4.38Å; I252-F258 HydrophobicContact CD1-CZ 4.43Å; V254-F258 HydrophobicContact CG1-CB 4.09Å; V254-F258 HydrophobicContact CG1-CD1 3.75Å; V254-F258 HydrophobicContact CG1-CG 4.28Å; V254-F258 HydrophobicContact CG2-CD1 4.44Å; H255-F258 WeakPolarHBondContact O-CB 3.47Å; H255-F258 PolarHBondContact O-N 2.79Å; H255-F258 VanDerWaalsContact O-N 3.12Å; F258-N260 PolarHBondContact O-N 3.07Å; F258-N260 VanDerWaalsContact O-N 3.09Å; F258-Y261 WeakPolarHBondContact O-CB 3.41Å; F258-Y261 PolarHBondContact O-N 2.84Å; F258-Y266 HydrophobicContact CB-CE1 4.42Å; F258-Y266 HydrophobicContact CB-CE2 3.77Å; F258-Y266 AromaticContact CD2-CD1 3.6Å; F258-Y266 HydrophobicContact CD2-CD1 3.6Å; F258-Y266 AromaticContact CD2-CD2 3.67Å; F258-Y266 HydrophobicContact CD2-CD2 3.67Å; F258-Y266 AromaticContact CD2-CE1 3.6Å; F258-Y266 HydrophobicContact CD2-CE1 3.6Å; F258-Y266 AromaticContact CD2-CE2 3.66Å; F258-Y266 HydrophobicContact CD2-CE2 3.66Å; F258-Y266 AromaticContact CD2-CG 3.64Å; F258-Y266 HydrophobicContact CD2-CG 3.64Å; F258-Y266 AromaticContact CD2-CZ 3.63Å; F258-Y266 AromaticContact CE2-CD1 3.96Å; F258-Y266 HydrophobicContact CE2-CD1 3.96Å; F258-Y266 HydrophobicContact CE2-CD2 4.45Å; F258-Y266 HydrophobicContact CE2-CE1 4.32Å; F258-Y266 HydrophobicContact CE2-CG 4.03Å; F258-Y266 HydrophobicContact CG-CE1 4.42Å; F258-Y266 HydrophobicContact CG-CE2 4.23Å; F258-W299 HydrophobicContact CD1-CH2 4.2Å; F258-W299 HydrophobicContact CD1-CZ3 4.32Å; F258-W299 HydrophobicContact CE1-CH2 4.04Å; F258-W299 HydrophobicContact CE1-CZ3 4.06Å; F258-W303 HydrophobicContact CD1-CZ2 4.3Å; F258-W303 AromaticContact CE1-CH2 3.71Å; F258-W303 HydrophobicContact CE1-CH2 3.71Å; F258-W303 AromaticContact CE1-CZ2 3.7Å; F258-W303 HydrophobicContact CE1-CZ2 3.7Å; F258-W303 HydrophobicContact CE2-CH2 4.28Å; F258-W303 AromaticContact CZ-CH2 3.5Å; F258-W303 HydrophobicContact CZ-CH2 3.5Å; F258-W303 VanDerWaalsContact CZ-CH2 3.5Å; F258-W303 AromaticContact CZ-CZ2 3.93Å; F258-W303 HydrophobicContact CZ-CZ2 3.93Å; F258-F309 AromaticContact CE2-CD2 3.69Å; F258-F309 HydrophobicContact CE2-CD2 3.69Å; F258-F309 AromaticContact CE2-CE2 3.9Å; F258-F309 HydrophobicContact CE2-CE2 3.9Å; F258-F309 HydrophobicContact CE2-CG 4.2Å; F258-F309 HydrophobicContact CZ-CD1 4.2Å; F258-F309 AromaticContact CZ-CD2 3.79Å; F258-F309 HydrophobicContact CZ-CD2 3.79Å; F258-F309 HydrophobicContact CZ-CE1 4.24Å; F258-F309 AromaticContact CZ-CE2 3.84Å; F258-F309 HydrophobicContact CZ-CE2 3.84Å; F258-F309 AromaticContact CZ-CG 3.96Å; F258-F309 HydrophobicContact CZ-CG 3.96Å; F258-F309 HydrophobicContact CZ-CZ 4.05Å
259	L	94.3	Very high	96.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-60.2	-23.4	179.6	-55.2	-179.4	0	0	0	112.8	I24 L25 Q46 F49 V55 V254 S256 D257 V274 W299	I24-L259 HydrophobicContact CG2-CD1 3.92Å; L25-L259 HydrophobicContact CD2-CB 3.64Å; L25-L259 HydrophobicContact CD2-CD1 4.18Å; Q46-L259 WeakPolarHBondContact CG-O 3.3Å; F49-L259 HydrophobicContact CD2-CD2 3.95Å; F49-L259 HydrophobicContact CE2-CD2 3.79Å; V55-L259 HydrophobicContact CG1-CD1 4.34Å; V55-L259 HydrophobicContact CG2-CD1 3.65Å; V254-L259 HydrophobicContact CG1-CD2 3.96Å; S256-L259 WeakPolarHBondContact O-CB 3.49Å; D257-L259 PolarHBondContact O-N 3.2Å; D257-L259 VanDerWaalsContact O-N 3.13Å; L259-V274 HydrophobicContact CD1-CG2 4.23Å; L259-V274 HydrophobicContact CD2-CG2 4.19Å; L259-V274 HydrophobicContact CG-CG2 4.33Å; L259-W299 HydrophobicContact CD2-CH2 4.37Å
260	N	94.8	Very high	96	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-98.6	5.1	176.5	-69	113.7	0	0	0	113.7	L25 I30 A43 S44 D257 F258 K262	L25-N260 WeakPolarHBondContact CA-OD1 3.42Å; I30-N260 HydrophobicContact CG1-CB 4.16Å; A43-N260 CarbonylContact C-O 3.5Å; A43-N260 WeakPolarHBondContact CA-O 3.01Å; A43-N260 HydrophobicContact CB-CB 4.04Å; S44-N260 PolarHBondContact N-O 2.76Å; S44-N260 WeakPolarHBondContact O-CB 3.24Å; S44-N260 PolarHBondContact O-ND2 2.78Å; S44-N260 VanDerWaalsContact O-ND2 3.09Å; D257-N260 PolarHBondContact O-N 3.08Å; F258-N260 PolarHBondContact O-N 3.07Å; F258-N260 VanDerWaalsContact O-N 3.09Å; N260-K262 PolarHBondContact O-N 3.32Å
261	Y	97.1	Very high	95.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	134.2	-180	175.8	-93.4	0	0	0	112.2	W41 Q46 F258 G264 Y266 W303 L305 F309 K310	W41-Y261 HydrophobicContact CB-CD2 4.48Å; W41-Y261 HydrophobicContact CB-CE2 4.26Å; W41-Y261 HydrophobicContact CD2-CD2 4.46Å; W41-Y261 AromaticContact CE3-CD2 3.9Å; W41-Y261 HydrophobicContact CE3-CD2 3.9Å; W41-Y261 HydrophobicContact CZ3-CD2 4.48Å; Q46-Y261 PolarHBondContact NE2-O 2.9Å; F258-Y261 WeakPolarHBondContact O-CB 3.41Å; F258-Y261 PolarHBondContact O-N 2.84Å; Y261-G264 VanDerWaalsContact CE2-O 3.32Å; Y261-G264 WeakPolarHBondContact CE2-O 3.38Å; Y261-G264 PolarHBondContact OH-O 2.88Å; Y261-Y266 HydrophobicContact CD2-CD2 4.3Å; Y261-Y266 HydrophobicContact CD2-CG 4.43Å; Y261-W303 AromaticContact CD1-CH2 3.7Å; Y261-W303 HydrophobicContact CD1-CH2 3.7Å; Y261-W303 AromaticContact CD1-CZ2 3.97Å; Y261-W303 HydrophobicContact CD1-CZ2 3.97Å; Y261-W303 HydrophobicContact CD1-CZ3 4.27Å; Y261-W303 HydrophobicContact CE1-CH2 4.43Å; Y261-W303 HydrophobicContact CG-CH2 4.38Å; Y261-W303 HydrophobicContact CG-CZ2 4.41Å; Y261-L305 HydrophobicContact CE1-CG 4.34Å; Y261-L305 VanDerWaalsContact OH-CD1 3.3Å; Y261-L305 WeakPolarHBondContact OH-CD1 3.46Å; Y261-F309 HydrophobicContact CD1-CB 3.85Å; Y261-F309 HydrophobicContact CE1-CB 3.3Å; Y261-K310 PolarHBondContact OH-N 3.43Å; Y261-K310 VanDerWaalsContact OH-N 3.12Å
262	K	95.7	Very high	95.5	Very high	80 Å²	80	22.2 Å²	22.2	35%	0.348	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-49.3	175.8	-172.5	-169.2	-175	174.8	0	112.4	K42 S44 N260 G304	K42-K262 WeakPolarHBondContact O-CB 3.33Å; K42-K262 PolarHBondContact O-N 3.03Å; S44-K262 WeakPolarHBondContact OG-CB 3.35Å; S44-K262 WeakPolarHBondContact OG-CD 3.41Å; S44-K262 WeakPolarHBondContact OG-CG 3.31Å; N260-K262 PolarHBondContact O-N 3.32Å; K262-G304 CarbonylContact O-C 3.5Å
263	S	97.2	Very high	95.3	Very high	38 Å²	38	25.5 Å²	25.5	27%	0.266	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	164.9	-171.5	58.8	0	0	0	0	112.2	W41 K42	W41-S263 CarbonylContact C-O 3.21Å; W41-S263 VanDerWaalsContact CA-O 3.23Å; W41-S263 WeakPolarHBondContact CA-O 3.41Å; W41-S263 VanDerWaalsContact CB-O 3.24Å; W41-S263 WeakPolarHBondContact CB-O 3.38Å; K42-S263 PolarHBondContact N-O 3.41Å; K42-S263 PolarHBondContact O-N 3.48Å
264	G	98.2	Very high	95.1	Very high	8 Å²	8	23.4 Å²	23.4	8%	0.082	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.5	-171.3	-178.9	0	0	0	0	0	112.8	G40 Y261 Y266 E287	G40-G264 CarbonylContact O-C 3.53Å; G40-G264 WeakPolarHBondContact O-CA 3.37Å; Y261-G264 VanDerWaalsContact CE2-O 3.32Å; Y261-G264 WeakPolarHBondContact CE2-O 3.38Å; Y261-G264 PolarHBondContact OH-O 2.88Å; G264-Y266 PolarHBondContact O-N 3.5Å; G264-E287 WeakPolarHBondContact CA-OE1 3.3Å
265	V	98.6	Very high	94.9	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	105.1	-179.2	-173.9	0	0	0	0	109.6	G40 E287 I290 Y292 K310 L312	G40-V265 CarbonylContact C-O 3.55Å; G40-V265 PolarHBondContact O-N 3.22Å; V265-E287 HydrophobicContact CG2-CB 4.04Å; V265-I290 HydrophobicContact CB-CB 4.45Å; V265-I290 HydrophobicContact CB-CG2 3.93Å; V265-I290 HydrophobicContact CG1-CG2 3.69Å; V265-I290 HydrophobicContact CG2-CB 4.27Å; V265-I290 HydrophobicContact CG2-CG2 4.19Å; V265-Y292 HydrophobicContact CG2-CD1 3.93Å; V265-Y292 HydrophobicContact CG2-CG 4.23Å; V265-K310 HydrophobicContact CG2-CB 4.32Å; V265-L312 HydrophobicContact CG1-CB 4.34Å
266	Y	98.7	Very high	94.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.4	177.1	174.5	-100.1	0	0	0	111	W41 D257 F258 Y261 G264 K310 I311 L312	W41-Y266 HydrophobicContact CD2-CD2 4.04Å; W41-Y266 AromaticContact CE2-CD2 3.75Å; W41-Y266 HydrophobicContact CE3-CD2 4.37Å; W41-Y266 HydrophobicContact CH2-CD2 4.16Å; W41-Y266 HydrophobicContact CH2-CE2 4.12Å; W41-Y266 AromaticContact CZ2-CD2 3.83Å; W41-Y266 HydrophobicContact CZ2-CD2 3.83Å; W41-Y266 AromaticContact CZ2-CE2 3.8Å; W41-Y266 HydrophobicContact CZ2-CE2 3.8Å; W41-Y266 HydrophobicContact CZ3-CD2 4.42Å; D257-Y266 PolarHBondContact OD1-OH 2.86Å; D257-Y266 VanDerWaalsContact OD1-OH 3.14Å; F258-Y266 HydrophobicContact CB-CE1 4.42Å; F258-Y266 HydrophobicContact CB-CE2 3.77Å; F258-Y266 AromaticContact CD2-CD1 3.6Å; F258-Y266 HydrophobicContact CD2-CD1 3.6Å; F258-Y266 AromaticContact CD2-CD2 3.67Å; F258-Y266 HydrophobicContact CD2-CD2 3.67Å; F258-Y266 AromaticContact CD2-CE1 3.6Å; F258-Y266 HydrophobicContact CD2-CE1 3.6Å; F258-Y266 AromaticContact CD2-CE2 3.66Å; F258-Y266 HydrophobicContact CD2-CE2 3.66Å; F258-Y266 AromaticContact CD2-CG 3.64Å; F258-Y266 HydrophobicContact CD2-CG 3.64Å; F258-Y266 AromaticContact CD2-CZ 3.63Å; F258-Y266 AromaticContact CE2-CD1 3.96Å; F258-Y266 HydrophobicContact CE2-CD1 3.96Å; F258-Y266 HydrophobicContact CE2-CD2 4.45Å; F258-Y266 HydrophobicContact CE2-CE1 4.32Å; F258-Y266 HydrophobicContact CE2-CG 4.03Å; F258-Y266 HydrophobicContact CG-CE1 4.42Å; F258-Y266 HydrophobicContact CG-CE2 4.23Å; Y261-Y266 HydrophobicContact CD2-CD2 4.3Å; Y261-Y266 HydrophobicContact CD2-CG 4.43Å; G264-Y266 PolarHBondContact O-N 3.5Å; Y266-K310 VanDerWaalsContact CB-O 3.27Å; Y266-K310 WeakPolarHBondContact CB-O 3.4Å; Y266-K310 PolarHBondContact N-O 2.92Å; Y266-I311 HydrophobicContact CD1-CB 4.5Å; Y266-I311 HydrophobicContact CD1-CD1 3.85Å; Y266-I311 HydrophobicContact CD1-CG1 3.96Å; Y266-I311 HydrophobicContact CE1-CD1 4.23Å; Y266-I311 WeakPolarHBondContact O-CA 3.42Å; Y266-L312 PolarHBondContact O-N 3.32Å
267	R	97.5	Very high	94.8	Very high	69 Å²	69	22.4 Å²	22.4	26%	0.26	12%	0.115	S	C	.	.			trans	-147.7	146	163.1	66.2	-172.6	-170.6	164.2	17.8	106.9	S38 A39 W41 I269 L312 E317	S38-R267 PolarHBondContact O-NE 3.17Å; S38-R267 PolarHBondContact O-NH1 3.2Å; S38-R267 PolarHBondContact O-NH2 3.34Å; S38-R267 PolarHBondContact OG-NH2 2.91Å; A39-R267 PolarHBondContact O-NE 3.46Å; A39-R267 VanDerWaalsContact O-NE 3.1Å; W41-R267 PolarHBondContact NE1-O 3.49Å; R267-I269 PolarHBondContact O-N 2.88Å; R267-L312 HydrophobicContact CB-CB 4.32Å; R267-L312 HydrophobicContact CB-CD2 4.36Å; R267-E317 HydrophobicContact CB-CG 4.34Å
268	H	97	Very high	94.8	Very high	50 Å²	50	22.7 Å²	22.7	23%	0.231	12%	0.117	C	C	.	.			trans	-65.8	130.5	-179.5	-178.9	52.5	0	0	0	110.7	H255 D257 T270 G271 E317	H255-H268 WeakPolarHBondContact CB-CE1 3.45Å; H255-H268 VanDerWaalsContact CB-ND1 3.31Å; H255-H268 WeakPolarHBondContact CB-ND1 3.44Å; H255-H268 AromaticContact CD2-CD2 3.92Å; H255-H268 AromaticContact CD2-CE1 3.39Å; H255-H268 PolarHBondContact CD2-CE1 3.05Å; H255-H268 AromaticContact CD2-ND1 3.89Å; H255-H268 AromaticContact CD2-NE2 3.44Å; H255-H268 PolarHBondContact CD2-NE2 2.93Å; H255-H268 AromaticContact CG-CE1 3.46Å; H255-H268 VanDerWaalsContact CG-CE1 3.46Å; H255-H268 AromaticContact CG-CG 3.91Å; H255-H268 AromaticContact CG-ND1 3.52Å; H255-H268 AromaticContact CG-NE2 3.88Å; D257-H268 IonicContact OD1-CE1 3.52Å; D257-H268 IonicContact OD1-ND1 2.75Å; D257-H268 PolarHBondContact OD1-ND1 3.41Å; D257-H268 IonicContact OD2-CE1 3.71Å; D257-H268 IonicContact OD2-CG 3.85Å; D257-H268 IonicContact OD2-ND1 3.06Å; D257-H268 PolarHBondContact OD2-ND1 3.46Å; D257-H268 VanDerWaalsContact OD2-ND1 3.07Å; H268-T270 PolarHBondContact CE1-O 3.01Å; H268-T270 PolarHBondContact ND1-O 3.43Å; H268-G271 PolarHBondContact CE1-O 2.98Å; H268-G271 PolarHBondContact NE2-O 3.46Å; H268-E317 WeakPolarHBondContact CB-OE1 3.21Å; H268-E317 PolarHBondContact N-OE1 3.34Å
269	I	95.6	Very high	94.9	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.072	12%	0.117	C	C	.	.			trans	-116.7	-39.7	178.2	-61.9	173	0	0	0	110.3	L19 Y32 I33 Y36 A39 W41 D257 R267	L19-I269 VanDerWaalsContact CD2-O 3.31Å; L19-I269 WeakPolarHBondContact CD2-O 3.26Å; Y32-I269 HydrophobicContact CE1-CG2 3.92Å; I33-I269 HydrophobicContact CG2-CD1 4.48Å; Y36-I269 HydrophobicContact CD1-CD1 3.98Å; Y36-I269 HydrophobicContact CD1-CG2 4.23Å; Y36-I269 HydrophobicContact CD2-CG2 3.71Å; Y36-I269 HydrophobicContact CE1-CG2 4.25Å; Y36-I269 HydrophobicContact CE2-CG2 3.73Å; Y36-I269 HydrophobicContact CG-CD1 4.15Å; Y36-I269 HydrophobicContact CG-CG2 3.97Å; A39-I269 HydrophobicContact CB-CD1 3.66Å; W41-I269 HydrophobicContact CZ2-CD1 4.35Å; D257-I269 PolarHBondContact OD2-N 3.47Å; R267-I269 PolarHBondContact O-N 2.88Å
270	T	94.8	Very high	95.1	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.118	C	C	.	.	S	Bend	trans	-161.7	165.6	-177.4	-168.2	0	0	0	0	112.2	K20 F22 L29 Y32 D257 H268	K20-T270 PolarHBondContact O-OG1 3.36Å; F22-T270 HydrophobicContact CD2-CG2 3.99Å; F22-T270 HydrophobicContact CE2-CG2 4.15Å; L29-T270 HydrophobicContact CD1-CG2 3.49Å; L29-T270 VanDerWaalsContact CD1-CG2 3.49Å; Y32-T270 HydrophobicContact CD1-CG2 4.08Å; Y32-T270 HydrophobicContact CE1-CG2 3.98Å; D257-T270 VanDerWaalsContact CB-O 3.22Å; D257-T270 WeakPolarHBondContact CB-O 3.3Å; D257-T270 PolarHBondContact OD2-N 3.44Å; D257-T270 VanDerWaalsContact OD2-O 3.05Å; H268-T270 PolarHBondContact CE1-O 3.01Å; H268-T270 PolarHBondContact ND1-O 3.43Å
271	G	91.6	Very high	95.3	Very high	20 Å²	20	23 Å²	23	21%	0.206	12%	0.118	C	C	.	.	S	Bend	trans	98.9	165.3	175.6	0	0	0	0	0	112.8	S256 H268	S256-G271 WeakPolarHBondContact OG-CA 3.5Å; H268-G271 PolarHBondContact CE1-O 2.98Å; H268-G271 PolarHBondContact NE2-O 3.46Å
272	Q	90.4	Very high	95.4	Very high	102 Å²	102	23 Å²	23	48%	0.477	12%	0.118	S	C	.	.			trans	-87.2	155.4	-175.2	63.3	-175.1	2.2	0	0	111.3	I24 Y56 H255 S256 V274	I24-Q272 HydrophobicContact CD1-CG 4.2Å; Y56-Q272 PolarHBondContact OH-NE2 3.33Å; Y56-Q272 VanDerWaalsContact OH-NE2 3.14Å; H255-Q272 CarbonylContact C-O 3.44Å; H255-Q272 VanDerWaalsContact CA-O 3.32Å; H255-Q272 WeakPolarHBondContact CA-O 3.29Å; S256-Q272 PolarHBondContact N-O 3.09Å; S256-Q272 PolarHBondContact OG-N 2.68Å; Q272-V274 HydrophobicContact CG-CG1 4.37Å; Q272-V274 PolarHBondContact O-N 2.83Å; Q272-V274 VanDerWaalsContact O-N 3.14Å
273	L	91.3	Very high	95.5	Very high	69 Å²	69	19.1 Å²	19.1	36%	0.361	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	119.6	163.7	180	65.6	0	0	0	108	F253 H255 T275	F253-L273 HydrophobicContact CB-CD1 3.83Å; F253-L273 HydrophobicContact CD2-CD1 4.12Å; F253-L273 HydrophobicContact CD2-CD2 4.3Å; F253-L273 HydrophobicContact CG-CD1 4.22Å; H255-L273 PolarHBondContact CD2-N 3.48Å; L273-T275 WeakPolarHBondContact CD1-O 3.26Å
274	V	90	Very high	95.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-79.9	168	-63.3	0	0	0	0	106.2	I24 I52 V55 Y56 Y62 V254 L259 Q272	I24-V274 HydrophobicContact CD1-CG1 4.36Å; I52-V274 HydrophobicContact CD1-CG1 3.81Å; V55-V274 HydrophobicContact CG1-CB 4.18Å; V55-V274 HydrophobicContact CG1-CG2 4.22Å; Y56-V274 HydrophobicContact CE1-CB 4.5Å; Y56-V274 HydrophobicContact CE1-CG1 4.34Å; Y62-V274 WeakPolarHBondContact CD1-O 3.23Å; Y62-V274 WeakPolarHBondContact CD2-O 3.43Å; Y62-V274 VanDerWaalsContact CE1-C 3.5Å; Y62-V274 WeakPolarHBondContact CE1-O 3.44Å; Y62-V274 HydrophobicContact CE2-CB 4.16Å; Y62-V274 WeakPolarHBondContact CE2-O 3.48Å; V254-V274 HydrophobicContact CB-CG2 4.39Å; V254-V274 HydrophobicContact CG1-CG2 3.87Å; V254-V274 WeakPolarHBondContact O-CG2 3.33Å; V254-V274 PolarHBondContact O-N 2.04Å; L259-V274 HydrophobicContact CD1-CG2 4.23Å; L259-V274 HydrophobicContact CD2-CG2 4.19Å; L259-V274 HydrophobicContact CG-CG2 4.33Å; Q272-V274 HydrophobicContact CG-CG1 4.37Å; Q272-V274 PolarHBondContact O-N 2.83Å; Q272-V274 VanDerWaalsContact O-N 3.14Å
275	T	91	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	164.6	-174.4	-163.4	0	0	0	0	114.2	F59 Y62 V254 L273 H277	F59-T275 WeakPolarHBondContact CB-OG1 3.32Å; F59-T275 HydrophobicContact CD1-CG2 4.1Å; F59-T275 HydrophobicContact CD2-CG2 3.88Å; F59-T275 HydrophobicContact CE1-CG2 4.22Å; F59-T275 HydrophobicContact CE2-CG2 3.99Å; F59-T275 HydrophobicContact CG-CG2 3.94Å; F59-T275 HydrophobicContact CZ-CG2 4.19Å; Y62-T275 WeakPolarHBondContact CE1-OG1 3.28Å; V254-T275 WeakPolarHBondContact CA-O 3.09Å; V254-T275 HydrophobicContact CB-CG2 3.57Å; V254-T275 WeakPolarHBondContact CB-O 3.02Å; V254-T275 HydrophobicContact CG1-CG2 4.09Å; V254-T275 HydrophobicContact CG2-CG2 3.74Å; V254-T275 PolarHBondContact N-O 3.44Å; V254-T275 PolarHBondContact O-N 3.26Å; V254-T275 VanDerWaalsContact O-N 3.15Å; L273-T275 WeakPolarHBondContact CD1-O 3.26Å; T275-H277 HydrophobicContact CG2-CB 4.14Å
276	I	91.3	Very high	95.6	Very high	13 Å²	13	20.9 Å²	20.9	7%	0.067	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.3	152.3	-57.8	172.8	0	0	0	106.2	H66 F67 I252 F253	H66-I276 HydrophobicContact CB-CB 3.92Å; H66-I276 HydrophobicContact CB-CD1 4.28Å; H66-I276 HydrophobicContact CB-CG2 3.72Å; F67-I276 HydrophobicContact CD2-CG2 3.74Å; F67-I276 HydrophobicContact CE2-CG2 3.38Å; I252-I276 WeakPolarHBondContact O-CA 3.2Å; F253-I276 HydrophobicContact CD1-CD1 4.38Å; F253-I276 HydrophobicContact CD1-CG1 3.96Å; F253-I276 HydrophobicContact CD1-CG2 4.21Å; F253-I276 HydrophobicContact CE1-CD1 3.81Å; F253-I276 HydrophobicContact CE1-CG1 3.9Å; F253-I276 HydrophobicContact CE1-CG2 4.19Å; F253-I276 HydrophobicContact CG-CG1 4.4Å; F253-I276 HydrophobicContact CZ-CD1 3.89Å; F253-I276 HydrophobicContact CZ-CG1 4.29Å
277	H	93.8	Very high	95.6	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.4	-175.9	-172.4	40.1	0	0	0	110.3	Q106 G251 I252 V254 T275 N297 S298 W299	Q106-H277 PolarHBondContact OE1-CE1 2.91Å; G251-H277 CarbonylContact C-O 3.54Å; G251-H277 WeakPolarHBondContact CA-O 3.46Å; I252-H277 HydrophobicContact CG2-CB 3.95Å; I252-H277 WeakPolarHBondContact CG2-O 3.4Å; I252-H277 PolarHBondContact N-O 3.03Å; I252-H277 PolarHBondContact O-N 3.34Å; V254-H277 HydrophobicContact CG2-CB 3.66Å; T275-H277 HydrophobicContact CG2-CB 4.14Å; H277-N297 PolarHBondContact NE2-OD1 2.95Å; H277-S298 PolarHBondContact CE1-OG 2.89Å; H277-S298 PolarHBondContact NE2-OG 2.83Å; H277-W299 AromaticContact CD2-CZ2 3.97Å; H277-W299 AromaticContact CE1-NE1 3.97Å; H277-W299 AromaticContact NE2-CE2 4Å; H277-W299 AromaticContact NE2-NE1 3.66Å
278	S	95.7	Very high	95.5	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.042	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.2	174	-55.9	0	0	0	0	110.2	S157 E249 A250	S157-S278 PolarHBondContact OG-OG 3.39Å; S157-S278 VanDerWaalsContact OG-OG 3.05Å; E249-S278 WeakPolarHBondContact OE1-CB 3.48Å; A250-S278 WeakPolarHBondContact O-CA 3.36Å
279	V	98.2	Very high	95.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	168.9	-178.3	-63	0	0	0	0	110.1	E249 A250 I252 F309 I320	E249-V279 WeakPolarHBondContact CA-O 3.22Å; A250-V279 HydrophobicContact CB-CG2 4.36Å; A250-V279 PolarHBondContact N-O 2.04Å; A250-V279 PolarHBondContact O-N 3.17Å; I252-V279 HydrophobicContact CG2-CG1 3.93Å; I252-V279 HydrophobicContact CG2-CG2 4.27Å; V279-F309 HydrophobicContact CB-CE1 4.21Å; V279-F309 HydrophobicContact CB-CZ 4.22Å; V279-F309 HydrophobicContact CG1-CE1 3.85Å; V279-F309 HydrophobicContact CG1-CZ 3.91Å; V279-F309 HydrophobicContact CG2-CZ 4.1Å; V279-I320 HydrophobicContact CG2-CD1 3.83Å
280	R	98.7	Very high	95.6	Very high	5 Å²	5	33 Å²	33	2%	0.019	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.3	177.3	176.4	167.2	60.7	90.8	0.7	110.2	I100 I102 S120 D123 P247 V248 I282 C295 A296	I100-R280 PolarHBondContact O-NH1 2.83Å; I100-R280 VanDerWaalsContact O-NH1 3.14Å; I100-R280 PolarHBondContact O-NH2 3.18Å; I102-R280 PolarHBondContact O-NH2 3.38Å; S120-R280 WeakPolarHBondContact OG-CD 3.36Å; S120-R280 WeakPolarHBondContact OG-CG 3.3Å; D123-R280 WeakPolarHBondContact OD2-CD 3.48Å; D123-R280 IonicContact OD2-CZ 2.65Å; D123-R280 VanDerWaalsContact OD2-CZ 3.3Å; D123-R280 IonicContact OD2-NE 3.55Å; D123-R280 IonicContact OD2-NH1 3.72Å; D123-R280 PolarHBondContact OD2-NH1 3.03Å; P247-R280 HydrophobicContact CB-CG 3.84Å; V248-R280 CarbonylContact O-C 3.54Å; V248-R280 WeakPolarHBondContact O-CA 3.02Å; R280-I282 HydrophobicContact CG-CG2 3.96Å; R280-C295 CarbonylContact O-C 3.59Å; R280-C295 VanDerWaalsContact O-CA 3.3Å; R280-C295 WeakPolarHBondContact O-CA 3.4Å; R280-A296 HydrophobicContact CB-CB 4.4Å; R280-A296 PolarHBondContact N-O 3.25Å; R280-A296 VanDerWaalsContact N-O 3.17Å; R280-A296 PolarHBondContact O-N 2.89Å
281	I	98.9	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.1	174.4	-49.1	-179.2	0	0	0	108.2	I238 I242 P247 V248 A250 W293 I320	I238-I281 HydrophobicContact CG2-CD1 4.47Å; I242-I281 HydrophobicContact CD1-CB 4.1Å; I242-I281 HydrophobicContact CD1-CG2 3.61Å; P247-I281 VanDerWaalsContact CA-O 3.25Å; P247-I281 WeakPolarHBondContact CA-O 3.4Å; P247-I281 WeakPolarHBondContact CB-O 3.36Å; V248-I281 HydrophobicContact CG2-CB 3.8Å; V248-I281 HydrophobicContact CG2-CD1 4.3Å; V248-I281 HydrophobicContact CG2-CG1 4.24Å; V248-I281 PolarHBondContact N-O 3.15Å; V248-I281 VanDerWaalsContact N-O 3.07Å; V248-I281 PolarHBondContact O-N 3.36Å; A250-I281 HydrophobicContact CB-CD1 3.54Å; A250-I281 HydrophobicContact CB-CG1 3.73Å; I281-W293 HydrophobicContact CG2-CB 4.23Å; I281-W293 HydrophobicContact CG2-CD2 4.25Å; I281-W293 HydrophobicContact CG2-CE3 3.76Å; I281-W293 HydrophobicContact CG2-CG 4.5Å; I281-W293 HydrophobicContact CG2-CZ3 4.44Å; I281-I320 HydrophobicContact CD1-CD1 4.48Å; I281-I320 HydrophobicContact CD1-CG1 4.26Å
282	I	98.9	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-7	-176.1	66.1	154.3	0	0	0	113.2	S90 R91 P247 R280 L294 Y308	S90-I282 WeakPolarHBondContact CB-O 3.04Å; S90-I282 PolarHBondContact N-O 3.42Å; S90-I282 PolarHBondContact OG-O 2.47Å; R91-I282 HydrophobicContact CG-CD1 4.14Å; P247-I282 HydrophobicContact CB-CG2 4.04Å; P247-I282 HydrophobicContact CG-CB 4.3Å; P247-I282 HydrophobicContact CG-CG2 3.98Å; R280-I282 HydrophobicContact CG-CG2 3.96Å; I282-L294 HydrophobicContact CD1-CD2 3.68Å; I282-L294 HydrophobicContact CD1-CG 3.98Å; I282-L294 HydrophobicContact CG1-CB 4.28Å; I282-L294 HydrophobicContact CG1-CD2 3.85Å; I282-L294 HydrophobicContact CG1-CG 3.74Å; I282-L294 WeakPolarHBondContact CG1-O 3.08Å; I282-L294 PolarHBondContact N-O 3.42Å; I282-Y308 HydrophobicContact CD1-CD1 4.07Å; I282-Y308 HydrophobicContact CD1-CE1 3.54Å; I282-Y308 HydrophobicContact CG1-CE1 4.45Å
283	G	98.9	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-170.4	-173	0	0	0	0	0	113.5	F88 L294	F88-G283 CarbonylContact O-C 3.51Å; F88-G283 WeakPolarHBondContact O-CA 3.37Å; G283-L294 PolarHBondContact N-O 3.31Å; G283-L294 PolarHBondContact O-N 2.81Å
284	W	98.9	Very high	96.9	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	167.1	178.4	61.4	89.3	0	0	0	111	P85 Y87 F88 R239 I242 M243 Y292 W293	P85-W284 HydrophobicContact CG-CZ2 4.26Å; P85-W284 PolarHBondContact O-NE1 2.87Å; Y87-W284 WeakPolarHBondContact CA-O 3.29Å; Y87-W284 WeakPolarHBondContact CD2-O 3.37Å; F88-W284 HydrophobicContact CB-CD2 3.74Å; F88-W284 VanDerWaalsContact CB-CE2 3.43Å; F88-W284 HydrophobicContact CB-CE3 3.9Å; F88-W284 HydrophobicContact CB-CH2 3.61Å; F88-W284 HydrophobicContact CB-CZ2 3.39Å; F88-W284 HydrophobicContact CB-CZ3 3.82Å; F88-W284 HydrophobicContact CD1-CE3 4.26Å; F88-W284 AromaticContact CD1-CH2 3.97Å; F88-W284 HydrophobicContact CD1-CH2 3.97Å; F88-W284 AromaticContact CD1-CZ3 3.73Å; F88-W284 HydrophobicContact CD1-CZ3 3.73Å; F88-W284 HydrophobicContact CD2-CH2 4.47Å; F88-W284 HydrophobicContact CG-CE3 4.44Å; F88-W284 AromaticContact CG-CH2 3.77Å; F88-W284 HydrophobicContact CG-CH2 3.77Å; F88-W284 HydrophobicContact CG-CZ2 4.01Å; F88-W284 AromaticContact CG-CZ3 3.96Å; F88-W284 HydrophobicContact CG-CZ3 3.96Å; F88-W284 PolarHBondContact N-O 3.47Å; F88-W284 PolarHBondContact O-N 2.6Å; R239-W284 HydrophobicContact CB-CE3 4.39Å; R239-W284 HydrophobicContact CB-CH2 3.67Å; R239-W284 HydrophobicContact CB-CZ2 3.94Å; R239-W284 HydrophobicContact CB-CZ3 3.96Å; R239-W284 HydrophobicContact CG-CD2 3.9Å; R239-W284 HydrophobicContact CG-CE3 3.95Å; R239-W284 HydrophobicContact CG-CG 4.49Å; R239-W284 HydrophobicContact CG-CH2 4.04Å; R239-W284 HydrophobicContact CG-CZ2 4.06Å; R239-W284 HydrophobicContact CG-CZ3 4.03Å; R239-W284 VanDerWaalsContact O-CH2 3.25Å; R239-W284 WeakPolarHBondContact O-CH2 3.23Å; I242-W284 HydrophobicContact CB-CZ3 3.94Å; I242-W284 HydrophobicContact CD1-CZ3 4.45Å; I242-W284 HydrophobicContact CG2-CZ3 3.83Å; M243-W284 HydrophobicContact CB-CH2 4.43Å; M243-W284 HydrophobicContact CG-CH2 3.54Å; M243-W284 HydrophobicContact CG-CZ2 4.13Å; M243-W284 HydrophobicContact SD-CH2 3.59Å; M243-W284 VanDerWaalsContact SD-CH2 3.59Å; M243-W284 HydrophobicContact SD-CZ2 3.67Å; W284-Y292 WeakPolarHBondContact CA-O 3.26Å; W284-Y292 WeakPolarHBondContact CB-O 3.49Å; W284-W293 HydrophobicContact CB-CE3 3.95Å; W284-W293 HydrophobicContact CB-CZ3 4.23Å; W284-W293 HydrophobicContact CD2-CZ3 4.45Å; W284-W293 AromaticContact CE3-CZ3 3.94Å; W284-W293 HydrophobicContact CE3-CZ3 3.94Å
285	G	98.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-164.2	172.9	0	0	0	0	0	111.6	D86 P291 Y292 R313	D86-G285 WeakPolarHBondContact O-CA 3.47Å; G285-P291 WeakPolarHBondContact O-CA 3.39Å; G285-Y292 VanDerWaalsContact CA-CZ 3.43Å; G285-Y292 VanDerWaalsContact N-CE2 3.34Å; G285-Y292 PolarHBondContact N-O 2.03Å; G285-Y292 VanDerWaalsContact N-O 3.13Å; G285-Y292 PolarHBondContact O-N 2.71Å; G285-R313 PolarHBondContact O-NH2 3.11Å
286	I	98.6	Very high	97.7	Very high	85 Å²	85	27.4 Å²	27.4	44%	0.436	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.9	171.7	-57.6	175.6	0	0	0	107.1	D86 I290	D86-I286 HydrophobicContact CB-CD1 4.14Å; I286-I290 WeakPolarHBondContact CA-O 3.47Å
287	E	97.9	Very high	98	Very high	53 Å²	53	27 Å²	27	25%	0.248	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.2	175.4	-180	177.7	126.6	0	0	108.8	G264 V265 D289 I290 Y292 K310	G264-E287 WeakPolarHBondContact CA-OE1 3.3Å; V265-E287 HydrophobicContact CG2-CB 4.04Å; E287-D289 VanDerWaalsContact C-N 3.31Å; E287-D289 PolarHBondContact O-N 2.83Å; E287-I290 PolarHBondContact N-O 3.19Å; E287-I290 VanDerWaalsContact O-CB 3.32Å; E287-I290 WeakPolarHBondContact O-CB 3.31Å; E287-I290 PolarHBondContact O-N 2.96Å; E287-Y292 HydrophobicContact CB-CD1 3.99Å; E287-Y292 HydrophobicContact CB-CE1 3.85Å; E287-K310 IonicContact OE2-NZ 2.76Å; E287-K310 PolarHBondContact OE2-NZ 3.29Å
288	N	95.7	Very high	98.1	Very high	138 Å²	138	27.1 Å²	27.1	74%	0.738	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	49.1	-176.4	-53.7	-47.3	0	0	0	112.6	I290	N288-I290 PolarHBondContact O-N 2.95Å; N288-I290 VanDerWaalsContact O-N 3.14Å
289	D	96.1	Very high	98.1	Very high	157 Å²	157	26.8 Å²	26.8	84%	0.84	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	9.3	-175.6	-52.9	-47.2	0	0	0	115.5	E287	E287-D289 VanDerWaalsContact C-N 3.31Å; E287-D289 PolarHBondContact O-N 2.83Å
290	I	97.9	Very high	97.8	Very high	40 Å²	40	26.8 Å²	26.8	21%	0.205	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.9	176.9	-51.9	175	0	0	0	109.7	V265 I286 E287 N288 L312	V265-I290 HydrophobicContact CB-CB 4.45Å; V265-I290 HydrophobicContact CB-CG2 3.93Å; V265-I290 HydrophobicContact CG1-CG2 3.69Å; V265-I290 HydrophobicContact CG2-CB 4.27Å; V265-I290 HydrophobicContact CG2-CG2 4.19Å; I286-I290 WeakPolarHBondContact CA-O 3.47Å; E287-I290 PolarHBondContact N-O 3.19Å; E287-I290 VanDerWaalsContact O-CB 3.32Å; E287-I290 WeakPolarHBondContact O-CB 3.31Å; E287-I290 PolarHBondContact O-N 2.96Å; N288-I290 PolarHBondContact O-N 2.95Å; N288-I290 VanDerWaalsContact O-N 3.14Å; I290-L312 HydrophobicContact CG2-CD1 3.6Å
291	P	98.6	Very high	97.6	Very high	41 Å²	41	29 Å²	29	27%	0.266	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.4	174.4	28.8	-34	0	0	0	110.9	G285 L312 R313	G285-P291 WeakPolarHBondContact O-CA 3.39Å; P291-L312 HydrophobicContact CG-CD1 4.41Å; P291-R313 HydrophobicContact CB-CB 4.41Å; P291-R313 VanDerWaalsContact CB-NH2 3.31Å; P291-R313 PolarHBondContact O-N 3.38Å
292	Y	98.9	Very high	97.2	Very high	15 Å²	15	30.2 Å²	30.2	6%	0.059	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.7	-179.9	66.8	-100.4	0	0	0	113.7	V265 W284 G285 E287 L294 K310 I311 R313	V265-Y292 HydrophobicContact CG2-CD1 3.93Å; V265-Y292 HydrophobicContact CG2-CG 4.23Å; W284-Y292 WeakPolarHBondContact CA-O 3.26Å; W284-Y292 WeakPolarHBondContact CB-O 3.49Å; G285-Y292 VanDerWaalsContact CA-CZ 3.43Å; G285-Y292 VanDerWaalsContact N-CE2 3.34Å; G285-Y292 PolarHBondContact N-O 2.03Å; G285-Y292 VanDerWaalsContact N-O 3.13Å; G285-Y292 PolarHBondContact O-N 2.71Å; E287-Y292 HydrophobicContact CB-CD1 3.99Å; E287-Y292 HydrophobicContact CB-CE1 3.85Å; Y292-L294 HydrophobicContact CD2-CB 4.46Å; Y292-L294 HydrophobicContact CE2-CB 4.16Å; Y292-K310 HydrophobicContact CD1-CD 4.02Å; Y292-K310 HydrophobicContact CD2-CB 3.99Å; Y292-K310 HydrophobicContact CD2-CD 3.89Å; Y292-K310 HydrophobicContact CD2-CG 3.78Å; Y292-K310 HydrophobicContact CE1-CD 3.97Å; Y292-K310 HydrophobicContact CE2-CD 3.88Å; Y292-K310 HydrophobicContact CE2-CG 4.04Å; Y292-K310 HydrophobicContact CG-CB 4Å; Y292-K310 HydrophobicContact CG-CD 3.98Å; Y292-K310 HydrophobicContact CG-CG 4.14Å; Y292-I311 CarbonylContact C-O 3.5Å; Y292-I311 WeakPolarHBondContact CA-O 3.31Å; Y292-I311 WeakPolarHBondContact CB-O 3.42Å; Y292-R313 PolarHBondContact O-NE 3.12Å; Y292-R313 VanDerWaalsContact O-NE 3.14Å
293	W	98.9	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.8	156.7	-65.6	116.4	0	0	0	109.7	E235 I238 R239 I242 I281 W284 K310 I311 R313 E321	E235-W293 HydrophobicContact CB-CZ2 4.48Å; E235-W293 HydrophobicContact CG-CH2 4.15Å; E235-W293 HydrophobicContact CG-CZ2 3.8Å; I238-W293 HydrophobicContact CB-CH2 3.69Å; I238-W293 HydrophobicContact CB-CZ2 4.07Å; I238-W293 HydrophobicContact CD1-CZ2 4.34Å; I238-W293 HydrophobicContact CG2-CH2 3.41Å; I238-W293 VanDerWaalsContact CG2-CH2 3.41Å; I238-W293 HydrophobicContact CG2-CZ2 3.9Å; I238-W293 HydrophobicContact CG2-CZ3 3.87Å; R239-W293 HydrophobicContact CG-CH2 3.49Å; R239-W293 VanDerWaalsContact CG-CH2 3.49Å; R239-W293 HydrophobicContact CG-CZ3 3.7Å; I242-W293 HydrophobicContact CD1-CZ3 4.15Å; I281-W293 HydrophobicContact CG2-CB 4.23Å; I281-W293 HydrophobicContact CG2-CD2 4.25Å; I281-W293 HydrophobicContact CG2-CE3 3.76Å; I281-W293 HydrophobicContact CG2-CG 4.5Å; I281-W293 HydrophobicContact CG2-CZ3 4.44Å; W284-W293 HydrophobicContact CB-CE3 3.95Å; W284-W293 HydrophobicContact CB-CZ3 4.23Å; W284-W293 HydrophobicContact CD2-CZ3 4.45Å; W284-W293 AromaticContact CE3-CZ3 3.94Å; W284-W293 HydrophobicContact CE3-CZ3 3.94Å; W293-K310 VanDerWaalsContact O-CA 3.27Å; W293-K310 WeakPolarHBondContact O-CA 3.43Å; W293-I311 HydrophobicContact CB-CG2 3.91Å; W293-I311 PolarHBondContact N-O 2.96Å; W293-I311 PolarHBondContact O-N 2.75Å; W293-I311 VanDerWaalsContact O-N 3.15Å; W293-R313 HydrophobicContact CD2-CB 4.14Å; W293-R313 HydrophobicContact CD2-CG 3.95Å; W293-R313 VanDerWaalsContact CE2-CG 3.46Å; W293-R313 HydrophobicContact CG-CB 3.97Å; W293-R313 HydrophobicContact CG-CG 4.31Å; W293-R313 HydrophobicContact CH2-CG 4.49Å; W293-R313 HydrophobicContact CZ2-CG 3.77Å; W293-E321 HydrophobicContact CZ2-CG 4.32Å; W293-E321 PolarHBondContact NE1-OE1 2.8Å
294	L	98.9	Very high	96.7	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116	171.1	179.2	62	0	0	0	108.9	D89 I282 G283 Y292 Y308 K310	D89-L294 WeakPolarHBondContact OD2-CD2 3.02Å; I282-L294 HydrophobicContact CD1-CD2 3.68Å; I282-L294 HydrophobicContact CD1-CG 3.98Å; I282-L294 HydrophobicContact CG1-CB 4.28Å; I282-L294 HydrophobicContact CG1-CD2 3.85Å; I282-L294 HydrophobicContact CG1-CG 3.74Å; I282-L294 WeakPolarHBondContact CG1-O 3.08Å; I282-L294 PolarHBondContact N-O 3.42Å; G283-L294 PolarHBondContact N-O 3.31Å; G283-L294 PolarHBondContact O-N 2.81Å; Y292-L294 HydrophobicContact CD2-CB 4.46Å; Y292-L294 HydrophobicContact CE2-CB 4.16Å; L294-Y308 HydrophobicContact CD1-CD1 4.39Å; L294-K310 HydrophobicContact CD1-CG 4.31Å
295	C	98.9	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.2	-173.5	-59.5	0	0	0	0	111.1	R280 Y308 F309	R280-C295 CarbonylContact O-C 3.59Å; R280-C295 VanDerWaalsContact O-CA 3.3Å; R280-C295 WeakPolarHBondContact O-CA 3.4Å; C295-Y308 CarbonylContact O-C 3.45Å; C295-Y308 WeakPolarHBondContact O-CA 3.44Å; C295-Y308 WeakPolarHBondContact O-CB 3.46Å; C295-F309 HydrophobicContact CB-CD1 3.77Å; C295-F309 HydrophobicContact CB-CD2 4.24Å; C295-F309 HydrophobicContact CB-CE1 3.29Å; C295-F309 HydrophobicContact CB-CE2 3.81Å; C295-F309 HydrophobicContact CB-CG 4.23Å; C295-F309 HydrophobicContact CB-CZ 3.32Å; C295-F309 PolarHBondContact N-O 2.76Å; C295-F309 PolarHBondContact O-N 2.84Å
296	A	98.8	Very high	96.3	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.9	166.5	0	0	0	0	0	109.2	I103 R280 Y308	I103-A296 HydrophobicContact CD1-CB 3.79Å; R280-A296 HydrophobicContact CB-CB 4.4Å; R280-A296 PolarHBondContact N-O 3.25Å; R280-A296 VanDerWaalsContact N-O 3.17Å; R280-A296 PolarHBondContact O-N 2.89Å; A296-Y308 HydrophobicContact CB-CD1 3.97Å; A296-Y308 HydrophobicContact CB-CE1 3.84Å
297	N	97.5	Very high	96.2	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.032	18%	0.182	C	C	.	.			trans	-89.6	169.2	174.1	-157.3	-4.8	0	0	0	110.4	H277 W299 W303 G307 F309	H277-N297 PolarHBondContact NE2-OD1 2.95Å; N297-W299 VanDerWaalsContact ND2-CD2 3.27Å; N297-W303 HydrophobicContact CB-CE3 3.96Å; N297-W303 HydrophobicContact CB-CZ3 3.75Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.12Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; N297-G307 WeakPolarHBondContact CB-O 3.44Å; N297-G307 PolarHBondContact N-O 3.31Å; N297-F309 HydrophobicContact CB-CD1 4.12Å; N297-F309 HydrophobicContact CB-CE1 4.17Å
298	S	96.7	Very high	96.3	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.028	17%	0.174	C	C	.	.	S	Bend	trans	-105.4	28.1	177.3	50.1	0	0	0	0	112.1	H104 D105 Q106 H277	H104-S298 CarbonylContact O-C 3.52Å; H104-S298 WeakPolarHBondContact O-CA 3.39Å; D105-S298 CarbonylContact C-O 3.37Å; D105-S298 WeakPolarHBondContact CA-O 3.3Å; Q106-S298 PolarHBondContact N-O 2.95Å; Q106-S298 PolarHBondContact OE1-OG 2.91Å; H277-S298 PolarHBondContact CE1-OG 2.89Å; H277-S298 PolarHBondContact NE2-OG 2.83Å
299	W	95	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-118.7	43	-178.2	-58	-12.6	0	0	0	110.5	F49 F59 H104 H187 F258 L259 H277 N297 W303	F49-W299 HydrophobicContact CE2-CE3 4.42Å; F49-W299 HydrophobicContact CE2-CH2 4.09Å; F49-W299 HydrophobicContact CE2-CZ2 4.38Å; F49-W299 HydrophobicContact CE2-CZ3 4.11Å; F49-W299 HydrophobicContact CZ-CH2 4.43Å; F49-W299 HydrophobicContact CZ-CZ2 4.27Å; F59-W299 HydrophobicContact CE1-CZ2 4.43Å; F59-W299 HydrophobicContact CE2-CZ2 4.33Å; F59-W299 AromaticContact CZ-CE2 3.98Å; F59-W299 AromaticContact CZ-CZ2 3.57Å; F59-W299 HydrophobicContact CZ-CZ2 3.57Å; F59-W299 AromaticContact CZ-NE1 3.97Å; H104-W299 PolarHBondContact O-N 3.39Å; H187-W299 PolarHBondContact CE1-O 2.76Å; H187-W299 PolarHBondContact ND1-O 2.75Å; F258-W299 HydrophobicContact CD1-CH2 4.2Å; F258-W299 HydrophobicContact CD1-CZ3 4.32Å; F258-W299 HydrophobicContact CE1-CH2 4.04Å; F258-W299 HydrophobicContact CE1-CZ3 4.06Å; L259-W299 HydrophobicContact CD2-CH2 4.37Å; H277-W299 AromaticContact CD2-CZ2 3.97Å; H277-W299 AromaticContact CE1-NE1 3.97Å; H277-W299 AromaticContact NE2-CE2 4Å; H277-W299 AromaticContact NE2-NE1 3.66Å; N297-W299 VanDerWaalsContact ND2-CD2 3.27Å; W299-W303 HydrophobicContact CB-CB 4.18Å; W299-W303 HydrophobicContact CB-CG 4.24Å; W299-W303 AromaticContact CE3-CD1 3.86Å; W299-W303 AromaticContact CE3-CD2 3.81Å; W299-W303 HydrophobicContact CE3-CD2 3.81Å; W299-W303 AromaticContact CE3-CE2 3.5Å; W299-W303 VanDerWaalsContact CE3-CE2 3.5Å; W299-W303 HydrophobicContact CE3-CG 4.04Å; W299-W303 AromaticContact CE3-CZ2 3.95Å; W299-W303 HydrophobicContact CE3-CZ2 3.95Å; W299-W303 AromaticContact CE3-NE1 3.52Å; W299-W303 HydrophobicContact CZ3-CD2 4.44Å; W299-W303 AromaticContact CZ3-CE2 3.68Å; W299-W303 AromaticContact CZ3-CZ2 3.74Å; W299-W303 HydrophobicContact CZ3-CZ2 3.74Å; W299-W303 AromaticContact CZ3-NE1 3.72Å; W299-W303 WeakPolarHBondContact O-CB 3.49Å
300	N	93.3	Very high	96.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	174.8	179.4	76.4	42.1	0	0	0	116.2	H104 D105 C185 H187 D302 W303 G307	H104-N300 PolarHBondContact O-N 3.04Å; D105-N300 HydrophobicContact CB-CB 4.02Å; D105-N300 PolarHBondContact OD2-ND2 2.64Å; C185-N300 PolarHBondContact O-ND2 3.5Å; H187-N300 PolarHBondContact CE1-ND2 2.9Å; H187-N300 PolarHBondContact ND1-ND2 3.21Å; H187-N300 PolarHBondContact ND1-OD1 2.94Å; N300-D302 VanDerWaalsContact C-N 3.31Å; N300-D302 PolarHBondContact O-N 2.87Å; N300-D302 WeakPolarHBondContact OD1-CB 3.21Å; N300-D302 PolarHBondContact OD1-N 3.27Å; N300-W303 PolarHBondContact O-N 2.75Å; N300-G307 WeakPolarHBondContact O-CA 3.46Å
301	E	93.6	Very high	96.6	Very high	53 Å²	53	18.5 Å²	18.5	25%	0.248	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.6	-171.9	47.6	-76.2	-179.5	0	0	113.1	K184 Y193 W303 N306 G307	K184-E301 VanDerWaalsContact NZ-CD 3.32Å; K184-E301 IonicContact NZ-OE1 3.59Å; K184-E301 PolarHBondContact NZ-OE1 2.95Å; K184-E301 IonicContact NZ-OE2 3.49Å; K184-E301 PolarHBondContact NZ-OE2 2.98Å; K184-E301 VanDerWaalsContact NZ-OE2 3.09Å; Y193-E301 PolarHBondContact OH-OE1 3.09Å; E301-W303 VanDerWaalsContact C-N 3.35Å; E301-N306 CarbonylContact O-C 3.51Å; E301-N306 WeakPolarHBondContact O-CA 3.25Å; E301-G307 PolarHBondContact O-N 2.84Å
302	D	90.8	Very high	96.6	Very high	24 Å²	24	18.1 Å²	18.1	13%	0.128	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.5	172.9	-71.9	-34.1	0	0	0	111	H187 R188 S190 Y193 N300	H187-D302 HydrophobicContact CB-CB 4.47Å; R188-D302 HydrophobicContact CB-CB 3.91Å; R188-D302 VanDerWaalsContact CB-O 3.27Å; R188-D302 WeakPolarHBondContact CB-O 3.4Å; R188-D302 WeakPolarHBondContact CD-O 3.38Å; S190-D302 WeakPolarHBondContact CB-OD1 3.39Å; S190-D302 PolarHBondContact OG-OD1 2.72Å; S190-D302 PolarHBondContact OG-OD2 2.86Å; Y193-D302 WeakPolarHBondContact CD2-OD2 3.36Å; N300-D302 VanDerWaalsContact C-N 3.31Å; N300-D302 PolarHBondContact O-N 2.87Å; N300-D302 WeakPolarHBondContact OD1-CB 3.21Å; N300-D302 PolarHBondContact OD1-N 3.27Å
303	W	93.3	Very high	96.6	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	9%	0.092	C	C	.	.	S	Bend	trans	-76.8	144.6	-177.1	-176.2	85.1	0	0	0	112.8	H187 F258 Y261 N297 W299 N300 E301 L305 G307 F309	H187-W303 HydrophobicContact CB-CB 4.01Å; F258-W303 HydrophobicContact CD1-CZ2 4.3Å; F258-W303 AromaticContact CE1-CH2 3.71Å; F258-W303 HydrophobicContact CE1-CH2 3.71Å; F258-W303 AromaticContact CE1-CZ2 3.7Å; F258-W303 HydrophobicContact CE1-CZ2 3.7Å; F258-W303 HydrophobicContact CE2-CH2 4.28Å; F258-W303 AromaticContact CZ-CH2 3.5Å; F258-W303 HydrophobicContact CZ-CH2 3.5Å; F258-W303 VanDerWaalsContact CZ-CH2 3.5Å; F258-W303 AromaticContact CZ-CZ2 3.93Å; F258-W303 HydrophobicContact CZ-CZ2 3.93Å; Y261-W303 AromaticContact CD1-CH2 3.7Å; Y261-W303 HydrophobicContact CD1-CH2 3.7Å; Y261-W303 AromaticContact CD1-CZ2 3.97Å; Y261-W303 HydrophobicContact CD1-CZ2 3.97Å; Y261-W303 HydrophobicContact CD1-CZ3 4.27Å; Y261-W303 HydrophobicContact CE1-CH2 4.43Å; Y261-W303 HydrophobicContact CG-CH2 4.38Å; Y261-W303 HydrophobicContact CG-CZ2 4.41Å; N297-W303 HydrophobicContact CB-CE3 3.96Å; N297-W303 HydrophobicContact CB-CZ3 3.75Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.12Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; W299-W303 HydrophobicContact CB-CB 4.18Å; W299-W303 HydrophobicContact CB-CG 4.24Å; W299-W303 AromaticContact CE3-CD1 3.86Å; W299-W303 AromaticContact CE3-CD2 3.81Å; W299-W303 HydrophobicContact CE3-CD2 3.81Å; W299-W303 AromaticContact CE3-CE2 3.5Å; W299-W303 VanDerWaalsContact CE3-CE2 3.5Å; W299-W303 HydrophobicContact CE3-CG 4.04Å; W299-W303 AromaticContact CE3-CZ2 3.95Å; W299-W303 HydrophobicContact CE3-CZ2 3.95Å; W299-W303 AromaticContact CE3-NE1 3.52Å; W299-W303 HydrophobicContact CZ3-CD2 4.44Å; W299-W303 AromaticContact CZ3-CE2 3.68Å; W299-W303 AromaticContact CZ3-CZ2 3.74Å; W299-W303 HydrophobicContact CZ3-CZ2 3.74Å; W299-W303 AromaticContact CZ3-NE1 3.72Å; W299-W303 WeakPolarHBondContact O-CB 3.49Å; N300-W303 PolarHBondContact O-N 2.75Å; E301-W303 VanDerWaalsContact C-N 3.35Å; W303-L305 PolarHBondContact O-N 3.4Å; W303-G307 VanDerWaalsContact O-CA 3.27Å; W303-G307 WeakPolarHBondContact O-CA 3.48Å; W303-G307 PolarHBondContact O-N 2.74Å; W303-F309 HydrophobicContact CH2-CB 3.87Å; W303-F309 HydrophobicContact CH2-CD1 4.06Å; W303-F309 HydrophobicContact CH2-CG 4.1Å; W303-F309 HydrophobicContact CZ3-CB 3.86Å; W303-F309 AromaticContact CZ3-CD1 3.86Å; W303-F309 HydrophobicContact CZ3-CD1 3.86Å; W303-F309 HydrophobicContact CZ3-CG 4.19Å
304	G	94.1	Very high	96.5	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-132.7	172.3	0	0	0	0	0	114.8	R188 K262 N306	R188-G304 PolarHBondContact NH1-O 2.86Å; K262-G304 CarbonylContact O-C 3.5Å; G304-N306 PolarHBondContact O-N 3.47Å
305	L	95.1	Very high	96.4	Very high	54 Å²	54	22.9 Å²	22.9	28%	0.283	13%	0.133	S	C	.	.	B	Isolated β-bridge	trans	-90.9	73.9	177.4	-65.5	174.6	0	0	0	110.2	Y261 W303 G307 Y308 K310	Y261-L305 HydrophobicContact CE1-CG 4.34Å; Y261-L305 VanDerWaalsContact OH-CD1 3.3Å; Y261-L305 WeakPolarHBondContact OH-CD1 3.46Å; W303-L305 PolarHBondContact O-N 3.4Å; L305-G307 VanDerWaalsContact C-N 3.26Å; L305-G307 PolarHBondContact O-N 3.28Å; L305-Y308 WeakPolarHBondContact CB-O 3.36Å; L305-Y308 PolarHBondContact N-O 2.63Å; L305-Y308 WeakPolarHBondContact O-CB 3.29Å; L305-Y308 WeakPolarHBondContact O-CD2 3.23Å; L305-Y308 PolarHBondContact O-N 3.32Å; L305-K310 HydrophobicContact CD1-CD 4.33Å; L305-K310 HydrophobicContact CD1-CG 4.16Å
306	N	94.7	Very high	96.4	Very high	119 Å²	119	25 Å²	25	64%	0.636	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	41.6	-176.5	-59.6	-22.2	0	0	0	112.8	E301 G304 Y308	E301-N306 CarbonylContact O-C 3.51Å; E301-N306 WeakPolarHBondContact O-CA 3.25Å; G304-N306 PolarHBondContact O-N 3.47Å; N306-Y308 VanDerWaalsContact C-N 3.31Å; N306-Y308 WeakPolarHBondContact O-CD2 3.41Å; N306-Y308 PolarHBondContact O-N 3.44Å
307	G	96.2	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-8.9	-175.3	0	0	0	0	0	115.7	N297 N300 E301 W303 L305	N297-G307 WeakPolarHBondContact CB-O 3.44Å; N297-G307 PolarHBondContact N-O 3.31Å; N300-G307 WeakPolarHBondContact O-CA 3.46Å; E301-G307 PolarHBondContact O-N 2.84Å; W303-G307 VanDerWaalsContact O-CA 3.27Å; W303-G307 WeakPolarHBondContact O-CA 3.48Å; W303-G307 PolarHBondContact O-N 2.74Å; L305-G307 VanDerWaalsContact C-N 3.26Å; L305-G307 PolarHBondContact O-N 3.28Å
308	Y	98.4	Very high	96.3	Very high	18 Å²	18	26.9 Å²	26.9	7%	0.071	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	164.6	173.3	-58.2	-89.6	0	0	0	111.6	R91 I103 I282 L294 C295 A296 L305 N306	R91-Y308 VanDerWaalsContact NH1-CZ 3.33Å; R91-Y308 PolarHBondContact NH1-OH 3.32Å; I103-Y308 HydrophobicContact CD1-CD1 4.1Å; I103-Y308 HydrophobicContact CD1-CD2 4.05Å; I103-Y308 HydrophobicContact CD1-CE1 3.71Å; I103-Y308 HydrophobicContact CD1-CE2 3.67Å; I103-Y308 HydrophobicContact CD1-CG 4.26Å; I103-Y308 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y308 HydrophobicContact CG1-CD2 4.42Å; I103-Y308 HydrophobicContact CG1-CE2 3.9Å; I282-Y308 HydrophobicContact CD1-CD1 4.07Å; I282-Y308 HydrophobicContact CD1-CE1 3.54Å; I282-Y308 HydrophobicContact CG1-CE1 4.45Å; L294-Y308 HydrophobicContact CD1-CD1 4.39Å; C295-Y308 CarbonylContact O-C 3.45Å; C295-Y308 WeakPolarHBondContact O-CA 3.44Å; C295-Y308 WeakPolarHBondContact O-CB 3.46Å; A296-Y308 HydrophobicContact CB-CD1 3.97Å; A296-Y308 HydrophobicContact CB-CE1 3.84Å; L305-Y308 WeakPolarHBondContact CB-O 3.36Å; L305-Y308 PolarHBondContact N-O 2.63Å; L305-Y308 WeakPolarHBondContact O-CB 3.29Å; L305-Y308 WeakPolarHBondContact O-CD2 3.23Å; L305-Y308 PolarHBondContact O-N 3.32Å; N306-Y308 VanDerWaalsContact C-N 3.31Å; N306-Y308 WeakPolarHBondContact O-CD2 3.41Å; N306-Y308 PolarHBondContact O-N 3.44Å
309	F	98.7	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160	164	67	-77.9	0	0	0	110	I252 F258 Y261 V279 C295 N297 W303 I311	I252-F309 HydrophobicContact CD1-CE2 3.96Å; I252-F309 HydrophobicContact CD1-CZ 4.14Å; F258-F309 AromaticContact CE2-CD2 3.69Å; F258-F309 HydrophobicContact CE2-CD2 3.69Å; F258-F309 AromaticContact CE2-CE2 3.9Å; F258-F309 HydrophobicContact CE2-CE2 3.9Å; F258-F309 HydrophobicContact CE2-CG 4.2Å; F258-F309 HydrophobicContact CZ-CD1 4.2Å; F258-F309 AromaticContact CZ-CD2 3.79Å; F258-F309 HydrophobicContact CZ-CD2 3.79Å; F258-F309 HydrophobicContact CZ-CE1 4.24Å; F258-F309 AromaticContact CZ-CE2 3.84Å; F258-F309 HydrophobicContact CZ-CE2 3.84Å; F258-F309 AromaticContact CZ-CG 3.96Å; F258-F309 HydrophobicContact CZ-CG 3.96Å; F258-F309 HydrophobicContact CZ-CZ 4.05Å; Y261-F309 HydrophobicContact CD1-CB 3.85Å; Y261-F309 HydrophobicContact CE1-CB 3.3Å; V279-F309 HydrophobicContact CB-CE1 4.21Å; V279-F309 HydrophobicContact CB-CZ 4.22Å; V279-F309 HydrophobicContact CG1-CE1 3.85Å; V279-F309 HydrophobicContact CG1-CZ 3.91Å; V279-F309 HydrophobicContact CG2-CZ 4.1Å; C295-F309 HydrophobicContact CB-CD1 3.77Å; C295-F309 HydrophobicContact CB-CD2 4.24Å; C295-F309 HydrophobicContact CB-CE1 3.29Å; C295-F309 HydrophobicContact CB-CE2 3.81Å; C295-F309 HydrophobicContact CB-CG 4.23Å; C295-F309 HydrophobicContact CB-CZ 3.32Å; C295-F309 PolarHBondContact N-O 2.76Å; C295-F309 PolarHBondContact O-N 2.84Å; N297-F309 HydrophobicContact CB-CD1 4.12Å; N297-F309 HydrophobicContact CB-CE1 4.17Å; W303-F309 HydrophobicContact CH2-CB 3.87Å; W303-F309 HydrophobicContact CH2-CD1 4.06Å; W303-F309 HydrophobicContact CH2-CG 4.1Å; W303-F309 HydrophobicContact CZ3-CB 3.86Å; W303-F309 AromaticContact CZ3-CD1 3.86Å; W303-F309 HydrophobicContact CZ3-CD1 3.86Å; W303-F309 HydrophobicContact CZ3-CG 4.19Å; F309-I311 HydrophobicContact CD2-CB 4.22Å; F309-I311 HydrophobicContact CD2-CG2 4.47Å; F309-I311 HydrophobicContact CE2-CB 4.02Å; F309-I311 HydrophobicContact CE2-CG2 3.96Å
310	K	98.9	Very high	96.4	Very high	35 Å²	35	30 Å²	30	15%	0.152	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.5	170.9	-58.8	176.2	-175.5	-172.9	0	108.3	Y261 V265 Y266 E287 Y292 W293 L294 L305	Y261-K310 PolarHBondContact OH-N 3.43Å; Y261-K310 VanDerWaalsContact OH-N 3.12Å; V265-K310 HydrophobicContact CG2-CB 4.32Å; Y266-K310 VanDerWaalsContact CB-O 3.27Å; Y266-K310 WeakPolarHBondContact CB-O 3.4Å; Y266-K310 PolarHBondContact N-O 2.92Å; E287-K310 IonicContact OE2-NZ 2.76Å; E287-K310 PolarHBondContact OE2-NZ 3.29Å; Y292-K310 HydrophobicContact CD1-CD 4.02Å; Y292-K310 HydrophobicContact CD2-CB 3.99Å; Y292-K310 HydrophobicContact CD2-CD 3.89Å; Y292-K310 HydrophobicContact CD2-CG 3.78Å; Y292-K310 HydrophobicContact CE1-CD 3.97Å; Y292-K310 HydrophobicContact CE2-CD 3.88Å; Y292-K310 HydrophobicContact CE2-CG 4.04Å; Y292-K310 HydrophobicContact CG-CB 4Å; Y292-K310 HydrophobicContact CG-CD 3.98Å; Y292-K310 HydrophobicContact CG-CG 4.14Å; W293-K310 VanDerWaalsContact O-CA 3.27Å; W293-K310 WeakPolarHBondContact O-CA 3.43Å; L294-K310 HydrophobicContact CD1-CG 4.31Å; L305-K310 HydrophobicContact CD1-CD 4.33Å; L305-K310 HydrophobicContact CD1-CG 4.16Å
311	I	98.8	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.7	176.5	-178	164.1	0	0	0	109.8	I252 Y266 Y292 W293 F309 R313 E317 C318 I320	I252-I311 HydrophobicContact CD1-CD1 3.58Å; I252-I311 HydrophobicContact CG1-CD1 4.29Å; Y266-I311 HydrophobicContact CD1-CB 4.5Å; Y266-I311 HydrophobicContact CD1-CD1 3.85Å; Y266-I311 HydrophobicContact CD1-CG1 3.96Å; Y266-I311 HydrophobicContact CE1-CD1 4.23Å; Y266-I311 WeakPolarHBondContact O-CA 3.42Å; Y292-I311 CarbonylContact C-O 3.5Å; Y292-I311 WeakPolarHBondContact CA-O 3.31Å; Y292-I311 WeakPolarHBondContact CB-O 3.42Å; W293-I311 HydrophobicContact CB-CG2 3.91Å; W293-I311 PolarHBondContact N-O 2.96Å; W293-I311 PolarHBondContact O-N 2.75Å; W293-I311 VanDerWaalsContact O-N 3.15Å; F309-I311 HydrophobicContact CD2-CB 4.22Å; F309-I311 HydrophobicContact CD2-CG2 4.47Å; F309-I311 HydrophobicContact CE2-CB 4.02Å; F309-I311 HydrophobicContact CE2-CG2 3.96Å; I311-R313 PolarHBondContact O-N 3.22Å; I311-E317 HydrophobicContact CD1-CB 4.38Å; I311-E317 HydrophobicContact CD1-CG 4.04Å; I311-E317 HydrophobicContact CG1-CB 4.12Å; I311-E317 HydrophobicContact CG1-CG 3.83Å; I311-C318 HydrophobicContact CD1-CB 4.2Å; I311-I320 HydrophobicContact CD1-CB 4.26Å; I311-I320 HydrophobicContact CD1-CG2 4.41Å; I311-I320 HydrophobicContact CG2-CG1 3.98Å
312	L	98.6	Very high	96.7	Very high	33 Å²	33	28.9 Å²	28.9	17%	0.173	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	126.1	-178.8	-178.3	65.4	0	0	0	111.1	V265 Y266 R267 I290 P291 S315 E317	V265-L312 HydrophobicContact CG1-CB 4.34Å; Y266-L312 PolarHBondContact O-N 3.32Å; R267-L312 HydrophobicContact CB-CB 4.32Å; R267-L312 HydrophobicContact CB-CD2 4.36Å; I290-L312 HydrophobicContact CG2-CD1 3.6Å; P291-L312 HydrophobicContact CG-CD1 4.41Å; L312-S315 VanDerWaalsContact CD2-OG 3.3Å; L312-S315 WeakPolarHBondContact CD2-OG 3.44Å; L312-S315 WeakPolarHBondContact CG-OG 3.12Å; L312-E317 HydrophobicContact CB-CB 3.94Å; L312-E317 HydrophobicContact CB-CG 4.02Å; L312-E317 WeakPolarHBondContact O-CB 3.33Å
313	R	98.6	Very high	96.8	Very high	17 Å²	17	29.2 Å²	29.2	6%	0.064	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	148.4	180	167.7	171.7	56.9	75.4	-0.3	111.2	E235 G285 P291 Y292 W293 I311	E235-R313 VanDerWaalsContact CD-NH1 3.29Å; E235-R313 HydrophobicContact CG-CG 3.67Å; E235-R313 IonicContact OE1-CZ 3.07Å; E235-R313 IonicContact OE1-NH1 3.3Å; E235-R313 PolarHBondContact OE1-NH1 2.69Å; E235-R313 IonicContact OE2-NH1 2.98Å; G285-R313 PolarHBondContact O-NH2 3.11Å; P291-R313 HydrophobicContact CB-CB 4.41Å; P291-R313 VanDerWaalsContact CB-NH2 3.31Å; P291-R313 PolarHBondContact O-N 3.38Å; Y292-R313 PolarHBondContact O-NE 3.12Å; Y292-R313 VanDerWaalsContact O-NE 3.14Å; W293-R313 HydrophobicContact CD2-CB 4.14Å; W293-R313 HydrophobicContact CD2-CG 3.95Å; W293-R313 VanDerWaalsContact CE2-CG 3.46Å; W293-R313 HydrophobicContact CG-CB 3.97Å; W293-R313 HydrophobicContact CG-CG 4.31Å; W293-R313 HydrophobicContact CH2-CG 4.49Å; W293-R313 HydrophobicContact CZ2-CG 3.77Å; I311-R313 PolarHBondContact O-N 3.22Å
314	G	97.9	Very high	97	Very high	45 Å²	45	29.2 Å²	29.2	46%	0.464	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	5.2	171.4	0	0	0	0	0	114.4	E235 E321	E235-G314 WeakPolarHBondContact OE2-CA 3.44Å; G314-E321 PolarHBondContact N-OE1 3.49Å
315	S	97.3	Very high	97.2	Very high	67 Å²	67	29.2 Å²	29.2	47%	0.469	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	9.9	178.7	54.7	0	0	0	0	112.8	L312 E317	L312-S315 VanDerWaalsContact CD2-OG 3.3Å; L312-S315 WeakPolarHBondContact CD2-OG 3.44Å; L312-S315 WeakPolarHBondContact CG-OG 3.12Å; S315-E317 PolarHBondContact O-N 3.17Å
316	N	97.8	Very high	97.3	Very high	45 Å²	45	26.7 Å²	26.7	24%	0.241	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	39.4	-172.4	-167	31.4	0	0	0	112.9	C318 E319 I320 E321 S322	N316-C318 PolarHBondContact O-N 3.39Å; N316-E319 PolarHBondContact ND2-OE2 3.24Å; N316-E319 PolarHBondContact O-N 2.77Å; N316-E319 VanDerWaalsContact OD1-CA 3.31Å; N316-E319 WeakPolarHBondContact OD1-CA 3.27Å; N316-I320 PolarHBondContact OD1-N 2.83Å; N316-E321 WeakPolarHBondContact CA-OE2 3.45Å; N316-E321 HydrophobicContact CB-CB 4.29Å; N316-E321 PolarHBondContact N-OE2 3.31Å; N316-E321 WeakPolarHBondContact OD1-CA 3.11Å; N316-E321 WeakPolarHBondContact OD1-CB 3.35Å; N316-E321 PolarHBondContact OD1-N 3.41Å; N316-S322 PolarHBondContact ND2-OG 2.95Å; N316-S322 PolarHBondContact OD1-N 3.38Å; N316-S322 VanDerWaalsContact OD1-N 3.14Å
317	E	98.1	Very high	97.5	Very high	34 Å²	34	21 Å²	21	16%	0.159	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-53.9	123.8	-176.8	179.6	60.3	-143.3	0	0	110.2	R267 H268 I311 L312 S315 E319 I320	R267-E317 HydrophobicContact CB-CG 4.34Å; H268-E317 WeakPolarHBondContact CB-OE1 3.21Å; H268-E317 PolarHBondContact N-OE1 3.34Å; I311-E317 HydrophobicContact CD1-CB 4.38Å; I311-E317 HydrophobicContact CD1-CG 4.04Å; I311-E317 HydrophobicContact CG1-CB 4.12Å; I311-E317 HydrophobicContact CG1-CG 3.83Å; L312-E317 HydrophobicContact CB-CB 3.94Å; L312-E317 HydrophobicContact CB-CG 4.02Å; L312-E317 WeakPolarHBondContact O-CB 3.33Å; S315-E317 PolarHBondContact O-N 3.17Å; E317-E319 PolarHBondContact O-N 3.06Å; E317-I320 WeakPolarHBondContact O-CB 3.38Å; E317-I320 WeakPolarHBondContact O-CG2 3.29Å; E317-I320 PolarHBondContact O-N 3.22Å; E317-I320 VanDerWaalsContact O-N 3.16Å
318	C	96.8	Very high	97.6	Very high	15 Å²	15	24.2 Å²	24.2	10%	0.101	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	51.9	37	-176.5	-64.5	0	0	0	0	113.7	I252 F253 I311 N316 I320	I252-C318 HydrophobicContact CG1-CB 4Å; F253-C318 HydrophobicContact CB-CB 4.3Å; F253-C318 WeakPolarHBondContact CB-O 3.08Å; F253-C318 PolarHBondContact N-O 2.87Å; F253-C318 WeakPolarHBondContact O-CB 3.37Å; I311-C318 HydrophobicContact CD1-CB 4.2Å; N316-C318 PolarHBondContact O-N 3.39Å; C318-I320 PolarHBondContact O-N 3.17Å; C318-I320 VanDerWaalsContact O-N 3.17Å
319	E	95.6	Very high	97.5	Very high	69 Å²	69	23.7 Å²	23.7	32%	0.322	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	61.1	18.7	178.9	-57.5	-68.7	154	0	0	114.6	F253 N316 E317 E321 S322 F323	F253-E319 HydrophobicContact CD1-CB 3.69Å; F253-E319 HydrophobicContact CD1-CG 3.84Å; F253-E319 HydrophobicContact CD2-CG 3.94Å; F253-E319 HydrophobicContact CE1-CB 3.89Å; F253-E319 HydrophobicContact CE1-CG 3.88Å; F253-E319 HydrophobicContact CE2-CG 3.97Å; F253-E319 HydrophobicContact CG-CB 4.1Å; F253-E319 HydrophobicContact CG-CG 3.89Å; F253-E319 HydrophobicContact CZ-CB 4.45Å; F253-E319 HydrophobicContact CZ-CG 3.94Å; N316-E319 PolarHBondContact ND2-OE2 3.24Å; N316-E319 PolarHBondContact O-N 2.77Å; N316-E319 VanDerWaalsContact OD1-CA 3.31Å; N316-E319 WeakPolarHBondContact OD1-CA 3.27Å; E317-E319 PolarHBondContact O-N 3.06Å; E319-E321 PolarHBondContact O-N 3.15Å; E319-E321 VanDerWaalsContact O-N 3.12Å; E319-S322 WeakPolarHBondContact O-CB 3.45Å; E319-S322 PolarHBondContact O-N 3Å; E319-S322 VanDerWaalsContact OE2-CB 3.23Å; E319-S322 WeakPolarHBondContact OE2-CB 3.43Å; E319-S322 PolarHBondContact OE2-OG 3.03Å; E319-F323 HydrophobicContact CB-CD2 4.48Å; E319-F323 HydrophobicContact CB-CE2 4.31Å
320	I	97.7	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.4	-175.2	-168.1	65.7	0	0	0	114	A250 G251 I252 V279 I281 I311 N316 E317 C318	A250-I320 HydrophobicContact CB-CD1 4Å; G251-I320 WeakPolarHBondContact O-CA 3.44Å; I252-I320 HydrophobicContact CB-CD1 3.97Å; I252-I320 HydrophobicContact CD1-CD1 4.46Å; I252-I320 HydrophobicContact CG1-CD1 4.41Å; V279-I320 HydrophobicContact CG2-CD1 3.83Å; I281-I320 HydrophobicContact CD1-CD1 4.48Å; I281-I320 HydrophobicContact CD1-CG1 4.26Å; I311-I320 HydrophobicContact CD1-CB 4.26Å; I311-I320 HydrophobicContact CD1-CG2 4.41Å; I311-I320 HydrophobicContact CG2-CG1 3.98Å; N316-I320 PolarHBondContact OD1-N 2.83Å; E317-I320 WeakPolarHBondContact O-CB 3.38Å; E317-I320 WeakPolarHBondContact O-CG2 3.29Å; E317-I320 PolarHBondContact O-N 3.22Å; E317-I320 VanDerWaalsContact O-N 3.16Å; C318-I320 PolarHBondContact O-N 3.17Å; C318-I320 VanDerWaalsContact O-N 3.17Å
321	E	97.8	Very high	96.5	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.051	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-9.5	179.7	-65.3	157.6	-172.5	0	0	112	P233 I238 W293 G314 N316 E319	P233-E321 WeakPolarHBondContact CA-O 3.38Å; P233-E321 VanDerWaalsContact CB-O 3.23Å; P233-E321 WeakPolarHBondContact CB-O 3.07Å; I238-E321 HydrophobicContact CD1-CB 3.73Å; I238-E321 HydrophobicContact CD1-CG 3.75Å; W293-E321 HydrophobicContact CZ2-CG 4.32Å; W293-E321 PolarHBondContact NE1-OE1 2.8Å; G314-E321 PolarHBondContact N-OE1 3.49Å; N316-E321 WeakPolarHBondContact CA-OE2 3.45Å; N316-E321 HydrophobicContact CB-CB 4.29Å; N316-E321 PolarHBondContact N-OE2 3.31Å; N316-E321 WeakPolarHBondContact OD1-CA 3.11Å; N316-E321 WeakPolarHBondContact OD1-CB 3.35Å; N316-E321 PolarHBondContact OD1-N 3.41Å; E319-E321 PolarHBondContact O-N 3.15Å; E319-E321 VanDerWaalsContact O-N 3.12Å
322	S	95	Very high	95	Very high	18 Å²	18	38 Å²	38	13%	0.126	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-31.5	-174.7	-82.3	0	0	0	0	114.6	N316 E319	N316-S322 PolarHBondContact ND2-OG 2.95Å; N316-S322 PolarHBondContact OD1-N 3.38Å; N316-S322 VanDerWaalsContact OD1-N 3.14Å; E319-S322 WeakPolarHBondContact O-CB 3.45Å; E319-S322 PolarHBondContact O-N 3Å; E319-S322 VanDerWaalsContact OE2-CB 3.23Å; E319-S322 WeakPolarHBondContact OE2-CB 3.43Å; E319-S322 PolarHBondContact OE2-OG 3.03Å
323	F	94	Very high	92.8	Very high	31 Å²	31	40.1 Å²	40.1	14%	0.136	22%	0.217	C	C	.	.	S	Bend	trans	-131.7	65.4	-168.7	-55.8	-71.1	0	0	0	111.2	F67 K69 A250 G251 F253 E319	F67-F323 HydrophobicContact CB-CB 4.29Å; F67-F323 HydrophobicContact CB-CD1 3.33Å; F67-F323 HydrophobicContact CB-CD2 4.21Å; F67-F323 HydrophobicContact CB-CE1 3.54Å; F67-F323 HydrophobicContact CB-CE2 4.39Å; F67-F323 HydrophobicContact CB-CG 3.68Å; F67-F323 HydrophobicContact CB-CZ 4.08Å; F67-F323 HydrophobicContact CD1-CB 3.73Å; F67-F323 HydrophobicContact CD1-CD1 4.31Å; F67-F323 HydrophobicContact CD1-CG 4.07Å; F67-F323 HydrophobicContact CD2-CB 4.04Å; F67-F323 HydrophobicContact CD2-CD1 4.37Å; F67-F323 AromaticContact CD2-CD2 3.8Å; F67-F323 HydrophobicContact CD2-CD2 3.8Å; F67-F323 HydrophobicContact CD2-CE2 4.33Å; F67-F323 AromaticContact CD2-CG 3.81Å; F67-F323 HydrophobicContact CD2-CG 3.81Å; F67-F323 HydrophobicContact CE1-CB 4.06Å; F67-F323 HydrophobicContact CE2-CB 4.35Å; F67-F323 HydrophobicContact CE2-CD2 4.46Å; F67-F323 HydrophobicContact CG-CB 3.74Å; F67-F323 AromaticContact CG-CD1 3.76Å; F67-F323 HydrophobicContact CG-CD1 3.76Å; F67-F323 HydrophobicContact CG-CD2 4.03Å; F67-F323 HydrophobicContact CG-CE1 4.35Å; F67-F323 AromaticContact CG-CG 3.56Å; F67-F323 HydrophobicContact CG-CG 3.56Å; F67-F323 HydrophobicContact CZ-CB 4.38Å; K69-F323 HydrophobicContact CG-CE1 4.09Å; A250-F323 CarbonylContact C-O 3.53Å; A250-F323 WeakPolarHBondContact CA-O 3.14Å; G251-F323 PolarHBondContact N-O 2.87Å; F253-F323 AromaticContact CE1-CE2 3.96Å; F253-F323 HydrophobicContact CE1-CE2 3.96Å; F253-F323 HydrophobicContact CZ-CE2 4.41Å; E319-F323 HydrophobicContact CB-CD2 4.48Å; E319-F323 HydrophobicContact CB-CE2 4.31Å
324	V	97.3	Very high	92.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.4	-178.3	-173.4	0	0	0	0	110.5	S230 L231 I238 V248 E249 A250	S230-V324 CarbonylContact C-O 3.55Å; S230-V324 VanDerWaalsContact CA-O 3.26Å; S230-V324 WeakPolarHBondContact CA-O 3.26Å; L231-V324 HydrophobicContact CB-CB 4.27Å; L231-V324 HydrophobicContact CB-CG1 4.45Å; L231-V324 HydrophobicContact CD1-CB 4.28Å; L231-V324 HydrophobicContact CD1-CG1 3.6Å; L231-V324 HydrophobicContact CG-CB 4.48Å; L231-V324 HydrophobicContact CG-CG1 4.15Å; L231-V324 PolarHBondContact N-O 2.97Å; I238-V324 HydrophobicContact CD1-CG2 3.74Å; I238-V324 HydrophobicContact CG1-CB 4.41Å; I238-V324 HydrophobicContact CG1-CG1 4.41Å; I238-V324 HydrophobicContact CG1-CG2 4.09Å; V248-V324 HydrophobicContact CB-CG1 3.68Å; V248-V324 HydrophobicContact CG1-CG1 4.26Å; V248-V324 HydrophobicContact CG2-CG1 3.5Å; V248-V324 VanDerWaalsContact CG2-CG1 3.5Å; E249-V324 CarbonylContact O-C 3.49Å; E249-V324 VanDerWaalsContact O-CA 3.3Å; E249-V324 WeakPolarHBondContact O-CA 3.46Å; A250-V324 HydrophobicContact CB-CG2 4.09Å
325	N	97.3	Very high	92.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.4	-177.5	-63.9	-38.3	0	0	0	111.4	L72 W161 S230 E249	L72-N325 HydrophobicContact CD1-CB 4.33Å; W161-N325 HydrophobicContact CG-CB 4.42Å; W161-N325 WeakPolarHBondContact CZ2-O 3.49Å; S230-N325 PolarHBondContact OG-OD1 2.81Å; E249-N325 PolarHBondContact N-O 3.12Å; E249-N325 VanDerWaalsContact N-O 3.11Å; E249-N325 PolarHBondContact O-N 2.85Å
326	A	98.4	Very high	92	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	179.2	-177.1	0	0	0	0	0	111.3	I228 Y229 E241 V248	I228-A326 WeakPolarHBondContact CA-O 3.46Å; Y229-A326 HydrophobicContact CD2-CB 3.95Å; Y229-A326 HydrophobicContact CE2-CB 3.42Å; Y229-A326 VanDerWaalsContact CE2-CB 3.42Å; Y229-A326 PolarHBondContact N-O 2.98Å; Y229-A326 PolarHBondContact O-N 3.43Å; Y229-A326 VanDerWaalsContact O-O 3.07Å; E241-A326 HydrophobicContact CG-CB 4.33Å; V248-A326 HydrophobicContact CG1-CB 4.12Å
327	G	97.9	Very high	91.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	174.6	175.5	0	0	0	0	0	113	R124 Q128 V227	R124-G327 PolarHBondContact NH1-O 2.75Å; Q128-G327 PolarHBondContact NE2-O 3.4Å; V227-G327 CarbonylContact O-C 3.53Å; V227-G327 WeakPolarHBondContact O-CA 3.47Å
328	K	98	Very high	91.2	Very high	68 Å²	68	39.7 Å²	39.7	30%	0.296	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.1	175.2	-54.6	-174	176.6	-174.6	0	111	W164 R226 V227 Y229	W164-K328 WeakPolarHBondContact CH2-O 3.22Å; R226-K328 PolarHBondContact N-O 3.1Å; V227-K328 HydrophobicContact CG1-CB 3.82Å; V227-K328 HydrophobicContact CG1-CD 4.22Å; V227-K328 HydrophobicContact CG1-CG 3.92Å; V227-K328 PolarHBondContact N-O 3.15Å; V227-K328 PolarHBondContact O-N 3.34Å; Y229-K328 HydrophobicContact CE1-CG 4.21Å
329	V	97.7	Very high	90.8	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	147.5	-178.9	-179.8	0	0	0	0	109.7	R124 Q128 T129 W164 R226	R124-V329 HydrophobicContact CB-CG2 4.28Å; Q128-V329 HydrophobicContact CB-CB 4.32Å; Q128-V329 HydrophobicContact CB-CG2 4.18Å; T129-V329 HydrophobicContact CG2-CG1 4.32Å; W164-V329 HydrophobicContact CH2-CG2 4.38Å; W164-V329 HydrophobicContact CZ2-CG2 4.14Å; R226-V329 WeakPolarHBondContact CB-O 3.47Å
330	D	96.4	Very high	90.5	Very high	45 Å²	45	39.4 Å²	39.4	24%	0.241	20%	0.196	C	C	.	.			trans	-87.5	107.2	167.3	-170	1.5	0	0	0	110.1	Y224 R226 K332 T333	Y224-D330 PolarHBondContact O-N 2.88Å; R226-D330 HydrophobicContact CB-CB 4.13Å; D330-K332 PolarHBondContact O-N 3.33Å; D330-K332 VanDerWaalsContact O-N 3.15Å; D330-K332 WeakPolarHBondContact OD1-CB 2.96Å; D330-K332 PolarHBondContact OD1-N 2.67Å; D330-T333 PolarHBondContact O-OG1 3.24Å; D330-T333 VanDerWaalsContact O-OG1 3.1Å
331	N	79.1	Confident	89.9	Confident	98 Å²	98	42.4 Å²	42.4	52%	0.524	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	8.5	-177.1	-66.7	-0.4	0	0	0	113.4	Q128	Q128-N331 PolarHBondContact O-ND2 3.49Å; Q128-N331 VanDerWaalsContact O-ND2 3.17Å
332	K	67.7	Low	89.3	Confident	194 Å²	194	45 Å²	45	84%	0.843	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-6.2	178.6	-66.8	-174.5	179	-178.2	0	114.3	D330	D330-K332 PolarHBondContact O-N 3.33Å; D330-K332 VanDerWaalsContact O-N 3.15Å; D330-K332 WeakPolarHBondContact OD1-CB 2.96Å; D330-K332 PolarHBondContact OD1-N 2.67Å
333	T	52.7	Low	88.8	Confident	77 Å²	77	47.5 Å²	47.5	47%	0.472	23%	0.233	S	C	.	.			trans	-94.3	0	174.6	56.9	0	0	0	0	109.1	M133 Y224 D330	M133-T333 WeakPolarHBondContact CE-OXT 3.5Å; Y224-T333 HydrophobicContact CD2-CG2 3.34Å; Y224-T333 HydrophobicContact CE2-CG2 4.06Å; Y224-T333 HydrophobicContact CG-CG2 4.06Å; D330-T333 PolarHBondContact O-OG1 3.24Å; D330-T333 VanDerWaalsContact O-OG1 3.1Å

Retrieved 333 of 333 residues in 79.5 ms (Link to these results)

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