G4VH77_SCHMA Loading...

Putative chromatin regulatory protein sir2

AlphaFold DB , UniProt , Accession G4VH77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 305 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.4	Very low	30.3	Very low	244 Å²	244	145.2 Å²	145.2	100%	1.202	76%	0.757	S	S	*	*				0	125	0	-127.9	168.5	-174.1	0	0	106.9
2	I	27.8	Very low	30.6	Very low	154 Å²	154	136.9 Å²	136.9	79%	0.79	72%	0.72	S	S	*	*			trans	-79.4	118	-160.1	-64.5	157.2	0	0	0	108.7
3	I	32.6	Very low	31	Very low	167 Å²	167	141 Å²	141	86%	0.856	72%	0.72	S	S	*	*			trans	-101.3	81.5	163.9	-56.2	179.1	0	0	0	106.3
4	S	26	Very low	31.4	Very low	96 Å²	96	142.1 Å²	142.1	67%	0.671	72%	0.717	S	S	*	*			trans	-83.2	107.1	155.3	55.2	0	0	0	0	106.3
5	D	29.8	Very low	31.3	Very low	140 Å²	140	148.6 Å²	148.6	75%	0.749	73%	0.73	S	S	*	*			trans	-152.5	116.3	162.5	-121.5	-21.3	0	0	0	112.2
6	S	29.8	Very low	31.3	Very low	105 Å²	105	148.4 Å²	148.4	73%	0.734	73%	0.729	S	S	*	*			trans	40.5	87.2	158.2	63	0	0	0	0	119.8
7	M	29.2	Very low	31.2	Very low	160 Å²	160	151.5 Å²	151.5	79%	0.788	74%	0.737	S	S	*	*			trans	-111	36.4	160	-95.9	-174.9	69.7	0	0	112.3
8	D	29	Very low	31	Very low	151 Å²	151	152.3 Å²	152.3	81%	0.807	74%	0.737	S	S	*	*			trans	-94.8	122.2	178.1	-85	-31.1	0	0	0	112.4
9	R	30.3	Very low	31	Very low	227 Å²	227	151.9 Å²	151.9	86%	0.857	75%	0.745	S	S	*	*			trans	85.9	65.8	167.3	-51	-179.4	-159.1	-126.9	1.6	118.1	T11	R9-T11 PolarHBondContact O-N 2.96Å
10	L	33.2	Very low	31.2	Very low	74 Å²	74	152.2 Å²	152.2	39%	0.387	74%	0.742	S	S	.	*			trans	-83.7	75.5	159.9	-70.1	160.8	0	0	0	110.5	Y253	L10-Y253 HydrophobicContact CD2-CD1 3.66Å; L10-Y253 HydrophobicContact CD2-CG 4.01Å
11	T	33.2	Very low	31.3	Very low	79 Å²	79	150.1 Å²	150.1	49%	0.485	75%	0.749	S	S	.	*			trans	-88.2	136.2	168.5	57.1	0	0	0	0	110	R9 R13	R9-T11 PolarHBondContact O-N 2.96Å; T11-R13 PolarHBondContact O-N 2.87Å
12	C	33.9	Very low	31.9	Very low	46 Å²	46	142.7 Å²	142.7	31%	0.311	71%	0.714	S	S	.	*			trans	-73	40.1	-176.7	-137.1	0	0	0	0	113.7	F221	C12-F221 HydrophobicContact CB-CD1 4.48Å
13	R	35.8	Very low	32.6	Very low	190 Å²	190	143.2 Å²	143.2	72%	0.717	72%	0.718	S	S	*	*			trans	-103.9	116.7	-174.8	-76.5	-173.8	174.5	-169.5	-1.2	112.5	T11	T11-R13 PolarHBondContact O-N 2.87Å
14	F	35.8	Very low	33.5	Very low	156 Å²	156	139.6 Å²	139.6	68%	0.684	70%	0.7	S	S	*	*			trans	46.5	108	144.9	-107.3	-95	0	0	0	119	M16	F14-M16 HydrophobicContact CD1-CE 4Å; F14-M16 HydrophobicContact CD1-CG 3.96Å; F14-M16 HydrophobicContact CE1-CE 3.48Å; F14-M16 VanDerWaalsContact CE1-CE 3.48Å; F14-M16 HydrophobicContact CE1-CG 3.7Å; F14-M16 HydrophobicContact CE1-SD 4.1Å
15	W	30.9	Very low	35.2	Very low	240 Å²	240	143 Å²	143	91%	0.909	71%	0.705	S	S	*	*			trans	-127.1	101.7	148.1	-89.6	82.1	0	0	0	109.8
16	M	30.9	Very low	36.9	Very low	146 Å²	146	142.4 Å²	142.4	72%	0.719	70%	0.696	S	S	*	*			trans	-73.7	136.2	166.7	-87.4	-165.6	-92.4	0	0	110.4	F14 K18	F14-M16 HydrophobicContact CD1-CE 4Å; F14-M16 HydrophobicContact CD1-CG 3.96Å; F14-M16 HydrophobicContact CE1-CE 3.48Å; F14-M16 VanDerWaalsContact CE1-CE 3.48Å; F14-M16 HydrophobicContact CE1-CG 3.7Å; F14-M16 HydrophobicContact CE1-SD 4.1Å; M16-K18 PolarHBondContact O-N 3Å
17	K	28.9	Very low	38.6	Very low	200 Å²	200	137.8 Å²	137.8	87%	0.87	66%	0.664	S	S	*	*			trans	-13.4	101	165.6	-64.1	176	176.4	-179.9	0	115.6
18	K	29.1	Very low	40.4	Very low	167 Å²	167	139.7 Å²	139.7	73%	0.726	67%	0.668	S	S	*	*			trans	-106.5	100	142.2	-98.3	-173.1	175.4	-178.4	0	107.7	M16 F20	M16-K18 PolarHBondContact O-N 3Å; K18-F20 VanDerWaalsContact C-N 3.29Å; K18-F20 HydrophobicContact CB-CD2 4.32Å; K18-F20 HydrophobicContact CD-CE2 4.06Å; K18-F20 PolarHBondContact O-N 3.27Å
19	T	31.1	Very low	42.9	Very low	144 Å²	144	134.5 Å²	134.5	88%	0.883	64%	0.64	S	S	*	*			trans	-67.6	89.6	164.8	15.6	0	0	0	0	108.1
20	F	35	Very low	45.4	Very low	157 Å²	157	127.6 Å²	127.6	69%	0.689	62%	0.615	S	S	*	*			trans	-78.3	129.1	156.1	-90.1	-88.7	0	0	0	107.3	K18 I22	K18-F20 VanDerWaalsContact C-N 3.29Å; K18-F20 HydrophobicContact CB-CD2 4.32Å; K18-F20 HydrophobicContact CD-CE2 4.06Å; K18-F20 PolarHBondContact O-N 3.27Å; F20-I22 HydrophobicContact CB-CG1 4.4Å; F20-I22 PolarHBondContact O-N 3.32Å
21	A	33.1	Very low	47.9	Very low	109 Å²	109	127.1 Å²	127.1	90%	0.901	62%	0.617	S	S	*	*			trans	-65	84.7	166.7	0	0	0	0	0	108.2	N23	A21-N23 PolarHBondContact O-N 3.4Å
22	I	44.9	Very low	50.8	Low	89 Å²	89	125.7 Å²	125.7	46%	0.456	61%	0.607	S	S	.	*			trans	-73.5	122.9	170.2	-65.2	170.2	0	0	0	105.6	F20 L24	F20-I22 HydrophobicContact CB-CG1 4.4Å; F20-I22 PolarHBondContact O-N 3.32Å; I22-L24 HydrophobicContact CG2-CD2 4.27Å; I22-L24 HydrophobicContact CG2-CG 4.46Å; I22-L24 PolarHBondContact O-N 2.7Å
23	N	41.3	Very low	53.7	Low	165 Å²	165	126.4 Å²	126.4	88%	0.882	61%	0.607	S	S	*	*			trans	-64.2	92.6	167.7	-140.3	-13	0	0	0	106.2	A21 Q25	A21-N23 PolarHBondContact O-N 3.4Å; N23-Q25 PolarHBondContact O-N 2.92Å
24	L	52.3	Low	56.5	Low	90 Å²	90	121.7 Å²	121.7	47%	0.471	60%	0.603	S	S	.	*			trans	-71.9	89.2	-171.6	-76.8	162.9	0	0	0	109.1	I22 F26	I22-L24 HydrophobicContact CG2-CD2 4.27Å; I22-L24 HydrophobicContact CG2-CG 4.46Å; I22-L24 PolarHBondContact O-N 2.7Å; L24-F26 PolarHBondContact O-N 3.03Å
25	Q	61.6	Low	59.3	Low	168 Å²	168	115.2 Å²	115.2	79%	0.785	58%	0.58	S	S	*	*			trans	-68.4	117.1	156.9	-100.7	173	-13.4	0	0	107.5	N23 H281	N23-Q25 PolarHBondContact O-N 2.92Å; Q25-H281 WeakPolarHBondContact O-CB 3.2Å
26	F	65.4	Low	62.4	Low	128 Å²	128	103.8 Å²	103.8	56%	0.561	54%	0.537	S	S	*	.			trans	-62.6	153.8	174.7	-71.1	-80.2	0	0	0	110.3	L24 Y30	L24-F26 PolarHBondContact O-N 3.03Å; F26-Y30 HydrophobicContact CB-CD2 4.26Å; F26-Y30 AromaticContact CD1-CD2 3.9Å; F26-Y30 HydrophobicContact CD1-CD2 3.9Å; F26-Y30 AromaticContact CD1-CE2 3.76Å; F26-Y30 HydrophobicContact CD1-CE2 3.76Å; F26-Y30 HydrophobicContact CE1-CE2 4.23Å; F26-Y30 HydrophobicContact CG-CD2 4.42Å
27	P	66.5	Low	65.6	Low	8 Å²	8	99.5 Å²	99.5	5%	0.052	51%	0.513	C	S	.	.			trans	-43.6	144	171.5	-31.7	35.8	0	0	0	112.3	D29 Y30 T280 L283 Q284 H286	P27-D29 PolarHBondContact O-N 2.85Å; P27-D29 VanDerWaalsContact O-N 3.09Å; P27-Y30 PolarHBondContact O-N 3.31Å; P27-T280 HydrophobicContact CG-CG2 3.77Å; P27-T280 WeakPolarHBondContact CG-O 3.3Å; P27-L283 WeakPolarHBondContact CB-O 3.42Å; P27-Q284 WeakPolarHBondContact CB-O 2.8Å; P27-H286 HydrophobicContact CB-CB 4.43Å; P27-H286 HydrophobicContact CG-CB 3.7Å
28	K	67	Low	68.9	Low	199 Å²	199	92.6 Å²	92.6	87%	0.865	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.6	179.1	-68.2	-177.6	179.4	178.9	0	111.9
29	D	80	Confident	72.1	Confident	43 Å²	43	86.1 Å²	86.1	23%	0.23	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	60.6	-177.1	-70.3	-61	0	0	0	111.9	P27 S31 N32 Q284 Y285	P27-D29 PolarHBondContact O-N 2.85Å; P27-D29 VanDerWaalsContact O-N 3.09Å; D29-S31 PolarHBondContact O-N 3.36Å; D29-N32 HydrophobicContact CB-CB 3.96Å; D29-N32 PolarHBondContact OD1-ND2 2.71Å; D29-Q284 PolarHBondContact N-O 2.9Å; D29-Q284 VanDerWaalsContact N-O 3.12Å; D29-Q284 PolarHBondContact OD2-NE2 3.35Å; D29-Y285 HydrophobicContact CB-CD1 3.39Å; D29-Y285 HydrophobicContact CB-CE1 3.41Å; D29-Y285 VanDerWaalsContact CB-CE1 3.41Å; D29-Y285 HydrophobicContact CB-CG 4.2Å
30	Y	83.5	Confident	75.3	Confident	82 Å²	82	79.2 Å²	79.2	32%	0.322	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	123	174.1	-163.2	-87.5	0	0	0	111	F26 P27 N32 H286 Q288	F26-Y30 HydrophobicContact CB-CD2 4.26Å; F26-Y30 AromaticContact CD1-CD2 3.9Å; F26-Y30 HydrophobicContact CD1-CD2 3.9Å; F26-Y30 AromaticContact CD1-CE2 3.76Å; F26-Y30 HydrophobicContact CD1-CE2 3.76Å; F26-Y30 HydrophobicContact CE1-CE2 4.23Å; F26-Y30 HydrophobicContact CG-CD2 4.42Å; P27-Y30 PolarHBondContact O-N 3.31Å; Y30-N32 PolarHBondContact O-N 3.19Å; Y30-N32 VanDerWaalsContact O-N 3.17Å; Y30-H286 HydrophobicContact CD2-CB 4.2Å; Y30-H286 AromaticContact CD2-CD2 3.98Å; Y30-H286 HydrophobicContact CE2-CB 4.31Å; Y30-H286 AromaticContact CE2-CD2 3.26Å; Y30-H286 WeakPolarHBondContact CE2-CD2 3.41Å; Y30-H286 AromaticContact CZ-CD2 3.7Å; Y30-Q288 WeakPolarHBondContact OH-CB 3.37Å; Y30-Q288 PolarHBondContact OH-OE1 3.46Å
31	S	86	Confident	78.3	Confident	64 Å²	64	72.5 Å²	72.5	45%	0.448	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	18	178.4	-58	0	0	0	0	116.9	D29 I33 H286	D29-S31 PolarHBondContact O-N 3.36Å; S31-I33 PolarHBondContact O-N 3.16Å; S31-H286 PolarHBondContact N-O 2.9Å
32	N	93.1	Very high	81.4	Confident	49 Å²	49	73.5 Å²	73.5	26%	0.262	38%	0.378	S	S	.	.			trans	-78.3	76.5	179.1	-173.3	-1.6	0	0	0	112.6	D29 Y30 S34 G35 F36 Y285	D29-N32 HydrophobicContact CB-CB 3.96Å; D29-N32 PolarHBondContact OD1-ND2 2.71Å; Y30-N32 PolarHBondContact O-N 3.19Å; Y30-N32 VanDerWaalsContact O-N 3.17Å; N32-S34 PolarHBondContact O-N 3.12Å; N32-S34 PolarHBondContact OD1-OG 3.07Å; N32-G35 PolarHBondContact O-N 2.81Å; N32-G35 WeakPolarHBondContact OD1-CA 3.42Å; N32-G35 PolarHBondContact OD1-N 3.41Å; N32-F36 PolarHBondContact O-N 3.16Å; N32-F36 VanDerWaalsContact O-N 3.12Å; N32-Y285 HydrophobicContact CB-CD1 4.46Å; N32-Y285 HydrophobicContact CB-CE1 4.38Å
33	I	94.6	Very high	83.9	Confident	61 Å²	61	69.6 Å²	69.6	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-45.4	-178	-71.2	176.4	0	0	0	111.2	S31 G35 F36 R37 F287 K297 L298	S31-I33 PolarHBondContact O-N 3.16Å; I33-G35 PolarHBondContact O-N 2.76Å; I33-F36 PolarHBondContact O-N 3.34Å; I33-R37 HydrophobicContact CG2-CG 4.19Å; I33-R37 WeakPolarHBondContact O-CB 3.48Å; I33-R37 VanDerWaalsContact O-CG 3.26Å; I33-R37 WeakPolarHBondContact O-CG 3.26Å; I33-R37 PolarHBondContact O-N 3.46Å; I33-F287 HydrophobicContact CB-CE1 4.45Å; I33-F287 HydrophobicContact CG1-CD1 4.05Å; I33-F287 HydrophobicContact CG1-CE1 3.74Å; I33-K297 HydrophobicContact CD1-CB 4.37Å; I33-K297 HydrophobicContact CD1-CD 4.3Å; I33-L298 HydrophobicContact CG1-CD2 4.47Å; I33-L298 HydrophobicContact CG2-CD2 4.27Å
34	S	94.5	Very high	86.6	Confident	91 Å²	91	66.5 Å²	66.5	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-42.9	-179.3	44	0	0	0	0	112.6	N32 R37 S38	N32-S34 PolarHBondContact O-N 3.12Å; N32-S34 PolarHBondContact OD1-OG 3.07Å; S34-R37 PolarHBondContact O-N 3.18Å; S34-S38 PolarHBondContact O-N 3.24Å
35	G	95.2	Very high	88.8	Confident	19 Å²	19	64.6 Å²	64.6	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-48.6	178	0	0	0	0	0	111.3	N32 I33 S38 V39	N32-G35 PolarHBondContact O-N 2.81Å; N32-G35 WeakPolarHBondContact OD1-CA 3.42Å; N32-G35 PolarHBondContact OD1-N 3.41Å; I33-G35 PolarHBondContact O-N 2.76Å; G35-S38 WeakPolarHBondContact O-CB 3.37Å; G35-S38 PolarHBondContact O-N 3.45Å; G35-S38 VanDerWaalsContact O-N 3.15Å; G35-V39 PolarHBondContact O-N 2.97Å; G35-V39 VanDerWaalsContact O-N 3.16Å
36	F	96.8	Very high	90.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-35.3	179.5	-166.6	-119.8	0	0	0	113	N32 I33 S38 V39 L40 V242 L244 A270 Y285 F287 L298	N32-F36 PolarHBondContact O-N 3.16Å; N32-F36 VanDerWaalsContact O-N 3.12Å; I33-F36 PolarHBondContact O-N 3.34Å; F36-S38 VanDerWaalsContact C-N 3.27Å; F36-S38 PolarHBondContact O-N 3.11Å; F36-V39 HydrophobicContact CD2-CB 4.22Å; F36-V39 HydrophobicContact CE2-CG1 4.44Å; F36-V39 WeakPolarHBondContact O-CA 3.32Å; F36-V39 WeakPolarHBondContact O-CB 3.11Å; F36-V39 PolarHBondContact O-N 3.45Å; F36-L40 HydrophobicContact CD1-CD1 3.8Å; F36-L40 HydrophobicContact CD1-CG 4.08Å; F36-L40 HydrophobicContact CE1-CD1 3.69Å; F36-L40 HydrophobicContact CE1-CD2 3.91Å; F36-L40 HydrophobicContact CE1-CG 3.81Å; F36-L40 HydrophobicContact CZ-CD1 4.46Å; F36-L40 HydrophobicContact CZ-CD2 3.9Å; F36-L40 HydrophobicContact CZ-CG 4.1Å; F36-L40 WeakPolarHBondContact O-CG 3.38Å; F36-L40 PolarHBondContact O-N 3.45Å; F36-V242 HydrophobicContact CE2-CG2 3.54Å; F36-V242 HydrophobicContact CZ-CG2 3.66Å; F36-L244 HydrophobicContact CE1-CD2 3.91Å; F36-L244 HydrophobicContact CE1-CG 4.08Å; F36-L244 HydrophobicContact CZ-CD2 4.4Å; F36-L244 HydrophobicContact CZ-CG 4.05Å; F36-A270 HydrophobicContact CD1-CB 4Å; F36-A270 HydrophobicContact CD2-CB 4.05Å; F36-A270 HydrophobicContact CE1-CB 3.53Å; F36-A270 HydrophobicContact CE2-CB 3.59Å; F36-A270 HydrophobicContact CG-CB 4.25Å; F36-A270 HydrophobicContact CZ-CB 3.31Å; F36-Y285 HydrophobicContact CB-CD1 3.9Å; F36-Y285 HydrophobicContact CB-CE1 3.9Å; F36-Y285 HydrophobicContact CB-CG 4.26Å; F36-Y285 HydrophobicContact CD2-CD1 4.36Å; F36-Y285 AromaticContact CD2-CD2 3.55Å; F36-Y285 HydrophobicContact CD2-CD2 3.55Å; F36-Y285 HydrophobicContact CD2-CE1 4.43Å; F36-Y285 AromaticContact CD2-CE2 3.66Å; F36-Y285 HydrophobicContact CD2-CE2 3.66Å; F36-Y285 AromaticContact CD2-CG 3.94Å; F36-Y285 HydrophobicContact CD2-CG 3.94Å; F36-Y285 HydrophobicContact CE2-CD2 4.12Å; F36-Y285 HydrophobicContact CE2-CE2 4.38Å; F36-Y285 HydrophobicContact CG-CD1 4.43Å; F36-Y285 HydrophobicContact CG-CD2 4.35Å; F36-Y285 HydrophobicContact CG-CG 4.3Å; F36-F287 HydrophobicContact CB-CE2 4.04Å; F36-F287 HydrophobicContact CB-CZ 3.65Å; F36-F287 AromaticContact CD1-CE2 3.76Å; F36-F287 HydrophobicContact CD1-CE2 3.76Å; F36-F287 HydrophobicContact CD1-CZ 4.19Å; F36-F287 HydrophobicContact CE1-CE2 4.5Å; F36-F287 AromaticContact CG-CE2 3.99Å; F36-F287 HydrophobicContact CG-CE2 3.99Å; F36-F287 HydrophobicContact CG-CZ 4.13Å; F36-L298 HydrophobicContact CD1-CD1 4Å; F36-L298 HydrophobicContact CD1-CD2 3.94Å; F36-L298 HydrophobicContact CE1-CD1 4.13Å
37	R	97.7	Very high	92.1	Very high	57 Å²	57	50.7 Å²	50.7	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-39.1	170.1	-76.1	178.4	68.9	92.2	3	111.8	I33 S34 V39 L40 S41 K297 L298 D300 S301 L302	I33-R37 HydrophobicContact CG2-CG 4.19Å; I33-R37 WeakPolarHBondContact O-CB 3.48Å; I33-R37 VanDerWaalsContact O-CG 3.26Å; I33-R37 WeakPolarHBondContact O-CG 3.26Å; I33-R37 PolarHBondContact O-N 3.46Å; S34-R37 PolarHBondContact O-N 3.18Å; R37-V39 VanDerWaalsContact C-N 3.31Å; R37-V39 PolarHBondContact O-N 3.04Å; R37-L40 PolarHBondContact O-N 3.37Å; R37-S41 VanDerWaalsContact O-CB 3.31Å; R37-S41 WeakPolarHBondContact O-CB 3.16Å; R37-S41 PolarHBondContact O-N 3.15Å; R37-K297 PolarHBondContact NH1-O 3.09Å; R37-L298 PolarHBondContact NH1-O 3.41Å; R37-L298 VanDerWaalsContact NH1-O 3.16Å; R37-D300 PolarHBondContact NH1-O 2.72Å; R37-D300 PolarHBondContact NH2-O 2.76Å; R37-S301 PolarHBondContact NH2-O 2.9Å; R37-L302 HydrophobicContact CB-CD1 4.24Å; R37-L302 WeakPolarHBondContact O-CD1 3.29Å
38	S	97.1	Very high	93.6	Very high	55 Å²	55	50.3 Å²	50.3	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-32.7	174	-179.4	0	0	0	0	113	S34 G35 F36	S34-S38 PolarHBondContact O-N 3.24Å; G35-S38 WeakPolarHBondContact O-CB 3.37Å; G35-S38 PolarHBondContact O-N 3.45Å; G35-S38 VanDerWaalsContact O-N 3.15Å; F36-S38 VanDerWaalsContact C-N 3.27Å; F36-S38 PolarHBondContact O-N 3.11Å
39	V	97.6	Very high	95.1	Very high	30 Å²	30	40.8 Å²	40.8	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-55	173.1	175.6	0	0	0	0	109.2	G35 F36 R37 S41 K42 S43 V242 P268 Y285	G35-V39 PolarHBondContact O-N 2.97Å; G35-V39 VanDerWaalsContact O-N 3.16Å; F36-V39 HydrophobicContact CD2-CB 4.22Å; F36-V39 HydrophobicContact CE2-CG1 4.44Å; F36-V39 WeakPolarHBondContact O-CA 3.32Å; F36-V39 WeakPolarHBondContact O-CB 3.11Å; F36-V39 PolarHBondContact O-N 3.45Å; R37-V39 VanDerWaalsContact C-N 3.31Å; R37-V39 PolarHBondContact O-N 3.04Å; V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 3.12Å; V39-K42 PolarHBondContact O-N 3.11Å; V39-S43 PolarHBondContact O-N 2.81Å; V39-S43 VanDerWaalsContact O-N 3.07Å; V39-S43 PolarHBondContact O-OG 3.28Å; V39-S43 VanDerWaalsContact O-OG 3.13Å; V39-V242 HydrophobicContact CG1-CB 4.15Å; V39-V242 HydrophobicContact CG1-CG2 3.78Å; V39-P268 HydrophobicContact CG1-CB 3.89Å; V39-P268 HydrophobicContact CG1-CG 3.87Å; V39-Y285 HydrophobicContact CG2-CE2 4.46Å
40	L	98.3	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-53.2	-46.8	179.8	-69	173.1	0	0	0	111.7	F36 R37 K42 S43 Y121 V242 L244 L298 F299 L302	F36-L40 HydrophobicContact CD1-CD1 3.8Å; F36-L40 HydrophobicContact CD1-CG 4.08Å; F36-L40 HydrophobicContact CE1-CD1 3.69Å; F36-L40 HydrophobicContact CE1-CD2 3.91Å; F36-L40 HydrophobicContact CE1-CG 3.81Å; F36-L40 HydrophobicContact CZ-CD1 4.46Å; F36-L40 HydrophobicContact CZ-CD2 3.9Å; F36-L40 HydrophobicContact CZ-CG 4.1Å; F36-L40 WeakPolarHBondContact O-CG 3.38Å; F36-L40 PolarHBondContact O-N 3.45Å; R37-L40 PolarHBondContact O-N 3.37Å; L40-K42 PolarHBondContact O-N 3.03Å; L40-K42 VanDerWaalsContact O-N 3.11Å; L40-S43 PolarHBondContact O-N 3.32Å; L40-S43 VanDerWaalsContact O-N 3.16Å; L40-Y121 PolarHBondContact O-OH 3.31Å; L40-V242 HydrophobicContact CD2-CG1 4.22Å; L40-V242 HydrophobicContact CD2-CG2 4.21Å; L40-L244 HydrophobicContact CD2-CD1 4.24Å; L40-L298 HydrophobicContact CD1-CB 4.12Å; L40-F299 HydrophobicContact CD1-CD1 4.36Å; L40-F299 HydrophobicContact CD1-CE1 3.89Å; L40-F299 HydrophobicContact CD1-CZ 4.21Å; L40-F299 HydrophobicContact CD2-CE1 4.08Å; L40-F299 HydrophobicContact CD2-CZ 4.3Å; L40-L302 HydrophobicContact CB-CD1 4.4Å; L40-L302 HydrophobicContact CB-CD2 3.81Å
41	S	98	Very high	96.3	Very high	15 Å²	15	34.9 Å²	34.9	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-49.4	-37.8	177.2	-178.3	0	0	0	0	113.6	R37 V39 R126 T303 T305	R37-S41 VanDerWaalsContact O-CB 3.31Å; R37-S41 WeakPolarHBondContact O-CB 3.16Å; R37-S41 PolarHBondContact O-N 3.15Å; V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 3.12Å; S41-R126 PolarHBondContact O-NH1 2.92Å; S41-T303 PolarHBondContact OG-O 2.84Å; S41-T305 PolarHBondContact O-N 3.28Å; S41-T305 PolarHBondContact O-OG1 2.75Å; S41-T305 WeakPolarHBondContact OG-CG2 3.41Å; S41-T305 PolarHBondContact OG-OG1 3.43Å
42	K	97.9	Very high	96.6	Very high	131 Å²	131	32.7 Å²	32.7	57%	0.57	18%	0.181	S	C	*	.	H	α-helix	trans	-97.4	-15.9	-174.5	-63.9	173.3	-176.7	172.8	0	113.5	V39 L40 H44	V39-K42 PolarHBondContact O-N 3.11Å; L40-K42 PolarHBondContact O-N 3.03Å; L40-K42 VanDerWaalsContact O-N 3.11Å; K42-H44 PolarHBondContact O-CE1 2.99Å; K42-H44 PolarHBondContact O-ND1 2.95Å
43	S	98.1	Very high	96.6	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.049	18%	0.182	C	C	.	.			trans	-66.7	142.4	-178.9	-74.7	0	0	0	0	112.2	V39 L40 Y121 R126 D241 V242	V39-S43 PolarHBondContact O-N 2.81Å; V39-S43 VanDerWaalsContact O-N 3.07Å; V39-S43 PolarHBondContact O-OG 3.28Å; V39-S43 VanDerWaalsContact O-OG 3.13Å; L40-S43 PolarHBondContact O-N 3.32Å; L40-S43 VanDerWaalsContact O-N 3.16Å; S43-Y121 WeakPolarHBondContact O-CE1 3.4Å; S43-R126 WeakPolarHBondContact O-CD 3.35Å; S43-R126 PolarHBondContact O-NH1 2.73Å; S43-D241 WeakPolarHBondContact CB-OD1 3.5Å; S43-D241 PolarHBondContact OG-OD1 3.16Å; S43-V242 VanDerWaalsContact CB-CG1 3.46Å; S43-V242 WeakPolarHBondContact OG-CB 3.31Å; S43-V242 WeakPolarHBondContact OG-CG1 3.42Å
44	H	98.1	Very high	96.7	Very high	99 Å²	99	28.7 Å²	28.7	46%	0.458	17%	0.167	S	C	.	.	S	Bend	trans	-109.1	-23.2	177.3	-69	68.6	0	0	0	112.2	K42 R126 S127 D241	K42-H44 PolarHBondContact O-CE1 2.99Å; K42-H44 PolarHBondContact O-ND1 2.95Å; H44-R126 WeakPolarHBondContact O-CB 3.4Å; H44-S127 PolarHBondContact O-N 2.63Å; H44-D241 WeakPolarHBondContact CA-OD2 3.44Å; H44-D241 WeakPolarHBondContact CB-OD2 3.35Å; H44-D241 PolarHBondContact N-OD1 3.21Å; H44-D241 PolarHBondContact N-OD2 2.84Å
45	N	98.3	Very high	96.8	Very high	51 Å²	51	24.4 Å²	24.4	27%	0.273	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	86.7	-176.8	-61.3	-82.7	0	0	0	110.1	S127 K239 A240 D241	N45-S127 WeakPolarHBondContact CA-O 3.33Å; N45-S127 WeakPolarHBondContact OD1-CB 3.45Å; N45-K239 WeakPolarHBondContact CB-O 3.26Å; N45-A240 CarbonylContact O-C 3.56Å; N45-A240 VanDerWaalsContact O-CA 3.3Å; N45-A240 WeakPolarHBondContact O-CA 3.47Å; N45-D241 PolarHBondContact N-OD1 2.88Å; N45-D241 VanDerWaalsContact N-OD1 3.14Å; N45-D241 PolarHBondContact N-OD2 3.35Å; N45-D241 PolarHBondContact O-N 3.32Å; N45-D241 VanDerWaalsContact O-OD1 3.12Å
46	V	98.5	Very high	96.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132	-179.8	-175.8	0	0	0	0	110.5	Y121 S127 F128 F129 V242 L244	V46-Y121 HydrophobicContact CG2-CD1 3.75Å; V46-Y121 HydrophobicContact CG2-CE1 3.21Å; V46-Y121 HydrophobicContact CG2-CE2 4.17Å; V46-Y121 HydrophobicContact CG2-CG 4.44Å; V46-Y121 VanDerWaalsContact CG2-CZ 3.43Å; V46-S127 PolarHBondContact N-O 3.39Å; V46-F128 HydrophobicContact CB-CB 4.49Å; V46-F128 HydrophobicContact CB-CD2 3.54Å; V46-F128 HydrophobicContact CB-CE2 3.94Å; V46-F128 HydrophobicContact CB-CG 4.13Å; V46-F128 HydrophobicContact CG1-CD2 3.59Å; V46-F128 HydrophobicContact CG1-CE2 3.42Å; V46-F128 VanDerWaalsContact CG1-CE2 3.42Å; V46-F128 HydrophobicContact CG1-CG 4.36Å; V46-F128 HydrophobicContact CG1-CZ 4.06Å; V46-F128 HydrophobicContact CG2-CD2 4.08Å; V46-F128 CarbonylContact O-C 3.48Å; V46-F128 WeakPolarHBondContact O-CA 3.47Å; V46-F129 PolarHBondContact O-N 3.07Å; V46-V242 HydrophobicContact CB-CG1 4.05Å; V46-V242 HydrophobicContact CG1-CG1 4.03Å; V46-V242 HydrophobicContact CG2-CG1 3.66Å; V46-L244 HydrophobicContact CG1-CD1 3.55Å
47	L	98.2	Very high	96.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.4	171	171.3	55.5	0	0	0	110.6	F49 F129 I131 I236 V237 A240 V242 C243 L244 L262	L47-F49 HydrophobicContact CD2-CD2 4.14Å; L47-F49 HydrophobicContact CD2-CE2 3.46Å; L47-F49 VanDerWaalsContact CD2-CE2 3.46Å; L47-F49 HydrophobicContact CD2-CZ 3.78Å; L47-F49 HydrophobicContact CG-CD2 4.2Å; L47-F49 HydrophobicContact CG-CE2 4.01Å; L47-F49 HydrophobicContact CG-CZ 4.45Å; L47-F129 CarbonylContact C-O 3.58Å; L47-F129 WeakPolarHBondContact CA-O 3.48Å; L47-I131 HydrophobicContact CD1-CB 4.24Å; L47-I131 HydrophobicContact CD1-CD1 3.69Å; L47-I131 HydrophobicContact CD1-CG1 3.66Å; L47-I131 HydrophobicContact CD2-CD1 4.43Å; L47-I236 HydrophobicContact CD1-CG2 3.81Å; L47-I236 HydrophobicContact CD2-CG2 4.29Å; L47-I236 HydrophobicContact CG-CG2 4.48Å; L47-V237 HydrophobicContact CD2-CB 4.46Å; L47-V237 HydrophobicContact CD2-CG2 3.73Å; L47-A240 HydrophobicContact CB-CB 3.73Å; L47-A240 HydrophobicContact CD2-CB 4.17Å; L47-V242 PolarHBondContact N-O 2.82Å; L47-C243 CarbonylContact O-C 3.46Å; L47-C243 VanDerWaalsContact O-CA 3.24Å; L47-C243 WeakPolarHBondContact O-CA 3.45Å; L47-L244 PolarHBondContact O-N 3.23Å; L47-L262 HydrophobicContact CD2-CD1 4.2Å
48	A	97.8	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.6	168.8	0	0	0	0	0	110.8	L114 F128 F129 I130 I131 L244	A48-L114 HydrophobicContact CB-CD2 4.16Å; A48-F128 HydrophobicContact CB-CE1 4.28Å; A48-F128 HydrophobicContact CB-CZ 4.4Å; A48-F129 PolarHBondContact N-O 2.9Å; A48-I130 HydrophobicContact CB-CG1 4.16Å; A48-I130 CarbonylContact O-C 3.6Å; A48-I130 WeakPolarHBondContact O-CA 3.43Å; A48-I131 PolarHBondContact O-N 2.87Å; A48-L244 CarbonylContact C-O 3.59Å; A48-L244 WeakPolarHBondContact CA-O 2.96Å; A48-L244 HydrophobicContact CB-CB 4.45Å
49	F	96.8	Very high	96.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.1	164.1	-78.2	-67	0	0	0	110.3	L47 I131 V237 L244 V246 V255 F258 T259 L262	L47-F49 HydrophobicContact CD2-CD2 4.14Å; L47-F49 HydrophobicContact CD2-CE2 3.46Å; L47-F49 VanDerWaalsContact CD2-CE2 3.46Å; L47-F49 HydrophobicContact CD2-CZ 3.78Å; L47-F49 HydrophobicContact CG-CD2 4.2Å; L47-F49 HydrophobicContact CG-CE2 4.01Å; L47-F49 HydrophobicContact CG-CZ 4.45Å; F49-I131 CarbonylContact C-O 3.55Å; F49-I131 VanDerWaalsContact CA-O 3.3Å; F49-I131 WeakPolarHBondContact CA-O 3.26Å; F49-I131 HydrophobicContact CD1-CB 3.63Å; F49-I131 HydrophobicContact CD1-CG2 3.84Å; F49-I131 HydrophobicContact CE1-CB 3.56Å; F49-I131 HydrophobicContact CE1-CD1 3.68Å; F49-I131 HydrophobicContact CE1-CG1 4.17Å; F49-I131 HydrophobicContact CE1-CG2 3.59Å; F49-I131 HydrophobicContact CZ-CD1 3.96Å; F49-V237 HydrophobicContact CE2-CG2 4.13Å; F49-V237 HydrophobicContact CZ-CG2 3.59Å; F49-L244 PolarHBondContact N-O 2.8Å; F49-V246 PolarHBondContact O-N 3.37Å; F49-V255 HydrophobicContact CB-CG1 4.12Å; F49-V255 HydrophobicContact CD1-CG1 3.94Å; F49-V255 HydrophobicContact CD1-CG2 4.13Å; F49-V255 HydrophobicContact CE1-CG2 4.35Å; F49-V255 HydrophobicContact CG-CG1 3.97Å; F49-F258 AromaticContact CE1-CD2 3.86Å; F49-F258 HydrophobicContact CE1-CD2 3.86Å; F49-F258 HydrophobicContact CE2-CB 3.83Å; F49-F258 HydrophobicContact CZ-CB 3.56Å; F49-F258 AromaticContact CZ-CD2 3.57Å; F49-F258 HydrophobicContact CZ-CD2 3.57Å; F49-F258 AromaticContact CZ-CG 3.96Å; F49-F258 HydrophobicContact CZ-CG 3.96Å; F49-T259 HydrophobicContact CD2-CG2 3.87Å; F49-T259 HydrophobicContact CE2-CG2 4.29Å; F49-L262 HydrophobicContact CE2-CD1 4.29Å
50	T	96.2	Very high	95.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144	179.6	67.2	0	0	0	0	112.6	I54 L114 I130 I131 T132 Q133 H139 V246	T50-I54 HydrophobicContact CG2-CD1 3.98Å; T50-L114 HydrophobicContact CG2-CD1 4.07Å; T50-I130 HydrophobicContact CG2-CG2 4.15Å; T50-I131 PolarHBondContact N-O 2.96Å; T50-T132 WeakPolarHBondContact OG1-CA 3.43Å; T50-T132 WeakPolarHBondContact OG1-CB 3.48Å; T50-T132 PolarHBondContact OG1-OG1 3.4Å; T50-Q133 PolarHBondContact O-N 3.47Å; T50-H139 PolarHBondContact OG1-NE2 2.8Å; T50-V246 WeakPolarHBondContact CA-O 3.38Å; T50-V246 HydrophobicContact CG2-CB 4.18Å
51	G	94.1	Very high	94.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.			trans	-127.6	-174.6	174.4	0	0	0	0	0	112.3	G53 I54 N134 V246 G247	G51-G53 PolarHBondContact O-N 2.87Å; G51-I54 VanDerWaalsContact O-CG2 3.27Å; G51-I54 WeakPolarHBondContact O-CG2 3.48Å; G51-I54 PolarHBondContact O-N 3.4Å; G51-I54 VanDerWaalsContact O-N 3.08Å; G51-N134 WeakPolarHBondContact CA-OD1 3.29Å; G51-N134 PolarHBondContact O-ND2 3.05Å; G51-N134 VanDerWaalsContact O-ND2 3.08Å; G51-N134 PolarHBondContact O-OD1 3.47Å; G51-V246 PolarHBondContact N-O 3.2Å; G51-G247 CarbonylContact C-O 3.6Å; G51-G247 WeakPolarHBondContact CA-O 3.42Å
52	A	91.9	Very high	93.7	Very high	17 Å²	17	31.2 Å²	31.2	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-25.7	-171.1	0	0	0	0	0	113.9	I54 S55 A56 T62 N134 G247	A52-I54 PolarHBondContact O-N 3.09Å; A52-S55 PolarHBondContact O-N 3.43Å; A52-A56 PolarHBondContact O-N 2.95Å; A52-T62 HydrophobicContact CB-CG2 4.2Å; A52-N134 VanDerWaalsContact CA-OD1 3.3Å; A52-N134 WeakPolarHBondContact CA-OD1 3.31Å; A52-N134 PolarHBondContact N-OD1 2.86Å; A52-G247 PolarHBondContact N-O 3.39Å
53	G	93.2	Very high	92.1	Very high	27 Å²	27	27 Å²	27	28%	0.278	15%	0.152	S	C	.	.	H	α-helix	trans	-61.1	-29.4	178.5	0	0	0	0	0	113.7	G51 S55 A56 G247	G51-G53 PolarHBondContact O-N 2.87Å; G53-S55 VanDerWaalsContact C-N 3.26Å; G53-S55 PolarHBondContact O-N 3.13Å; G53-A56 WeakPolarHBondContact O-CB 3.47Å; G53-A56 PolarHBondContact O-N 2.88Å; G53-G247 WeakPolarHBondContact CA-O 3.34Å; G53-G247 PolarHBondContact N-O 3.03Å
54	I	96.2	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-31.1	175.6	-156.9	-179.7	0	0	0	111.6	T50 G51 A52 N108 H111 L114 N134 V246 S291 L295	T50-I54 HydrophobicContact CG2-CD1 3.98Å; G51-I54 VanDerWaalsContact O-CG2 3.27Å; G51-I54 WeakPolarHBondContact O-CG2 3.48Å; G51-I54 PolarHBondContact O-N 3.4Å; G51-I54 VanDerWaalsContact O-N 3.08Å; A52-I54 PolarHBondContact O-N 3.09Å; I54-N108 PolarHBondContact O-ND2 3.3Å; I54-H111 PolarHBondContact O-CE1 3.11Å; I54-H111 VanDerWaalsContact O-CE1 3.23Å; I54-L114 HydrophobicContact CD1-CD1 3.64Å; I54-N134 WeakPolarHBondContact CG2-ND2 3.39Å; I54-V246 HydrophobicContact CB-CG1 4.2Å; I54-V246 HydrophobicContact CD1-CG1 3.93Å; I54-V246 HydrophobicContact CG1-CG1 3.9Å; I54-S291 WeakPolarHBondContact CG1-OG 3.26Å; I54-L295 HydrophobicContact CD1-CD1 4.45Å
55	S	96.4	Very high	88.5	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-90.9	-6.7	-179.1	-55.6	0	0	0	0	113.3	A52 G53 E57 S58 V60 N134 D136	A52-S55 PolarHBondContact O-N 3.43Å; G53-S55 VanDerWaalsContact C-N 3.26Å; G53-S55 PolarHBondContact O-N 3.13Å; S55-E57 VanDerWaalsContact C-N 3.29Å; S55-E57 PolarHBondContact O-N 3.17Å; S55-S58 WeakPolarHBondContact O-CA 3.25Å; S55-S58 WeakPolarHBondContact O-CB 3.28Å; S55-S58 PolarHBondContact O-N 3.11Å; S55-V60 PolarHBondContact O-N 3.04Å; S55-N134 PolarHBondContact OG-ND2 3.36Å; S55-N134 VanDerWaalsContact OG-ND2 3.11Å; S55-D136 WeakPolarHBondContact CB-OD2 3.36Å; S55-D136 PolarHBondContact OG-OD2 2.79Å
56	A	93.3	Very high	86.3	Confident	42 Å²	42	38.5 Å²	38.5	35%	0.347	21%	0.207	S	C	.	.	H	α-helix	trans	-61.4	-39	178.9	0	0	0	0	0	111.8	A52 G53 S58 H59 T62	A52-A56 PolarHBondContact O-N 2.95Å; G53-A56 WeakPolarHBondContact O-CB 3.47Å; G53-A56 PolarHBondContact O-N 2.88Å; A56-S58 PolarHBondContact O-N 2.89Å; A56-H59 PolarHBondContact O-N 2.88Å; A56-T62 HydrophobicContact CB-CG2 3.86Å
57	E	94.2	Very high	84.2	Confident	51 Å²	51	41.8 Å²	41.8	24%	0.238	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.6	176.3	-61.5	173	-109.1	0	0	112.9	S55 H59 N108 K290 S291 G292	S55-E57 VanDerWaalsContact C-N 3.29Å; S55-E57 PolarHBondContact O-N 3.17Å; E57-H59 VanDerWaalsContact C-N 3.28Å; E57-N108 HydrophobicContact CB-CB 4.05Å; E57-K290 HydrophobicContact CG-CB 4.39Å; E57-K290 HydrophobicContact CG-CD 4.2Å; E57-K290 HydrophobicContact CG-CG 4.33Å; E57-K290 WeakPolarHBondContact OE1-CB 3.28Å; E57-S291 PolarHBondContact OE1-N 3.07Å; E57-S291 PolarHBondContact OE1-OG 3.1Å; E57-G292 PolarHBondContact OE1-N 3.48Å; E57-G292 WeakPolarHBondContact OE2-CA 3.06Å; E57-G292 PolarHBondContact OE2-N 3.2Å
58	S	95.9	Very high	82.8	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.049	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	8.4	170.3	-65.8	0	0	0	0	112.7	S55 A56 V60 R105 C106 N108	S55-S58 WeakPolarHBondContact O-CA 3.25Å; S55-S58 WeakPolarHBondContact O-CB 3.28Å; S55-S58 PolarHBondContact O-N 3.11Å; A56-S58 PolarHBondContact O-N 2.89Å; S58-V60 PolarHBondContact O-N 2.96Å; S58-R105 WeakPolarHBondContact O-CB 3.4Å; S58-R105 WeakPolarHBondContact O-CD 3.24Å; S58-R105 VanDerWaalsContact O-CG 3.24Å; S58-R105 WeakPolarHBondContact O-CG 3.46Å; S58-C106 WeakPolarHBondContact CB-O 3.47Å; S58-C106 PolarHBondContact OG-O 3.47Å; S58-N108 PolarHBondContact OG-N 2.96Å; S58-N108 PolarHBondContact OG-ND2 3Å
59	H	91.9	Very high	82	Confident	135 Å²	135	47 Å²	47	63%	0.625	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	30.1	-175.8	-51	-71.5	0	0	0	113.7	A56 E57 R105	A56-H59 PolarHBondContact O-N 2.88Å; E57-H59 VanDerWaalsContact C-N 3.28Å; H59-R105 PolarHBondContact O-NE 3.46Å; H59-R105 PolarHBondContact O-NH2 2.94Å
60	V	89	Confident	81.6	Confident	19 Å²	19	47 Å²	47	12%	0.115	27%	0.271	C	S	.	.			trans	-81.7	122	165.1	-179.5	0	0	0	0	107.1	S55 S58 T62 V102 R105 L138	S55-V60 PolarHBondContact O-N 3.04Å; S58-V60 PolarHBondContact O-N 2.96Å; V60-T62 PolarHBondContact O-N 3.23Å; V60-V102 HydrophobicContact CG1-CG2 4.06Å; V60-V102 HydrophobicContact CG2-CG2 4.36Å; V60-R105 HydrophobicContact CG2-CB 4.17Å; V60-R105 HydrophobicContact CG2-CG 3.89Å; V60-L138 HydrophobicContact CG2-CD1 3.86Å
61	P	79.5	Confident	81.2	Confident	40 Å²	40	49.2 Å²	49.2	26%	0.26	28%	0.279	S	S	.	.			trans	-59	135.6	176.7	-19.1	30	0	0	0	110.1	F63 V101	P61-F63 HydrophobicContact CB-CD1 4.37Å; P61-F63 HydrophobicContact CB-CD2 4.04Å; P61-F63 HydrophobicContact CB-CE1 4Å; P61-F63 HydrophobicContact CB-CE2 3.65Å; P61-F63 HydrophobicContact CB-CG 4.4Å; P61-F63 HydrophobicContact CB-CZ 3.63Å; P61-F63 HydrophobicContact CG-CE2 4.21Å; P61-F63 HydrophobicContact CG-CZ 4.01Å; P61-F63 WeakPolarHBondContact O-CD2 3.32Å; P61-V101 HydrophobicContact CG-CG1 4.34Å
62	T	71.8	Confident	80.9	Confident	24 Å²	24	55 Å²	55	15%	0.147	31%	0.311	C	S	.	.			trans	-86.9	-15.4	-174	63.6	0	0	0	0	112.5	A52 A56 V60 R64 E68	A52-T62 HydrophobicContact CB-CG2 4.2Å; A56-T62 HydrophobicContact CB-CG2 3.86Å; V60-T62 PolarHBondContact O-N 3.23Å; T62-R64 WeakPolarHBondContact O-CG 3.44Å; T62-R64 PolarHBondContact O-N 2.88Å; T62-E68 PolarHBondContact N-OE2 3.17Å; T62-E68 PolarHBondContact OG1-OE1 3.39Å
63	F	64.7	Low	80.6	Confident	42 Å²	42	57.7 Å²	57.7	18%	0.184	32%	0.319	C	S	.	.	S	Bend	trans	44.4	22.4	-176.2	-58.5	-75.9	0	0	0	115.1	P61 E68 T75 Y97	P61-F63 HydrophobicContact CB-CD1 4.37Å; P61-F63 HydrophobicContact CB-CD2 4.04Å; P61-F63 HydrophobicContact CB-CE1 4Å; P61-F63 HydrophobicContact CB-CE2 3.65Å; P61-F63 HydrophobicContact CB-CG 4.4Å; P61-F63 HydrophobicContact CB-CZ 3.63Å; P61-F63 HydrophobicContact CG-CE2 4.21Å; P61-F63 HydrophobicContact CG-CZ 4.01Å; P61-F63 WeakPolarHBondContact O-CD2 3.32Å; F63-E68 VanDerWaalsContact CA-OE2 3.23Å; F63-E68 WeakPolarHBondContact CA-OE2 3.42Å; F63-E68 HydrophobicContact CD1-CB 4.27Å; F63-E68 PolarHBondContact N-OE2 3.26Å; F63-T75 HydrophobicContact CB-CG2 4.41Å; F63-T75 WeakPolarHBondContact CB-OG1 3.47Å; F63-T75 WeakPolarHBondContact CD1-OG1 3.3Å; F63-T75 WeakPolarHBondContact CG-OG1 3.47Å; F63-Y97 HydrophobicContact CZ-CE1 4.24Å
64	R	61.6	Low	80.3	Confident	124 Å²	124	60.7 Å²	60.7	47%	0.468	33%	0.326	S	S	.	.			trans	-115.7	-12.2	179.9	-72.7	-178.8	-174.1	-172.3	2	112.6	T62	T62-R64 WeakPolarHBondContact O-CG 3.44Å; T62-R64 PolarHBondContact O-N 2.88Å
65	R	58.2	Low	79.8	Confident	148 Å²	148	62 Å²	62	56%	0.558	33%	0.334	S	S	*	.	S	Bend	trans	-84.6	143.7	175.7	-68	-177.6	165.9	-173.9	-6.2	110	G67 E68	R65-G67 PolarHBondContact O-N 3.42Å; R65-E68 HydrophobicContact CB-CG 4.42Å; R65-E68 PolarHBondContact O-N 3.12Å
66	S	52.5	Low	79.3	Confident	128 Å²	128	66.4 Å²	66.4	90%	0.895	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	123.8	173.6	53	0	0	0	0	110.1
67	G	55.4	Low	79.2	Confident	71 Å²	71	67.8 Å²	67.8	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.3	-7.4	178.2	0	0	0	0	0	115.3	R65 S69	R65-G67 PolarHBondContact O-N 3.42Å; G67-S69 PolarHBondContact O-N 3.47Å
68	E	69.2	Low	79.1	Confident	53 Å²	53	65.6 Å²	65.6	25%	0.248	35%	0.346	C	S	.	.			trans	-81.7	106.4	171.1	-66.5	-174.3	-150.3	0	0	109.9	T62 F63 R65	T62-E68 PolarHBondContact N-OE2 3.17Å; T62-E68 PolarHBondContact OG1-OE1 3.39Å; F63-E68 VanDerWaalsContact CA-OE2 3.23Å; F63-E68 WeakPolarHBondContact CA-OE2 3.42Å; F63-E68 HydrophobicContact CD1-CB 4.27Å; F63-E68 PolarHBondContact N-OE2 3.26Å; R65-E68 HydrophobicContact CB-CG 4.42Å; R65-E68 PolarHBondContact O-N 3.12Å
69	S	79.7	Confident	79	Confident	57 Å²	57	65.5 Å²	65.5	40%	0.399	35%	0.346	S	S	.	.			trans	-124.5	152.9	171.6	64.8	0	0	0	0	110.7	G67 R71 F73	G67-S69 PolarHBondContact O-N 3.47Å; S69-R71 WeakPolarHBondContact CB-O 3.39Å; S69-R71 PolarHBondContact OG-O 3.19Å; S69-F73 WeakPolarHBondContact CA-O 3.3Å; S69-F73 WeakPolarHBondContact CB-O 3.36Å
70	W	88.4	Confident	79.2	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-104	114.4	162.6	177.6	86.8	0	0	0	107	N72 F73 L78 L90 E93 F94 Y97 G181	W70-N72 PolarHBondContact O-N 2.88Å; W70-F73 HydrophobicContact CE3-CD2 4.39Å; W70-F73 HydrophobicContact CZ3-CD2 4.43Å; W70-F73 PolarHBondContact N-O 3.47Å; W70-F73 PolarHBondContact O-N 3.34Å; W70-L78 HydrophobicContact CE3-CD1 3.47Å; W70-L78 VanDerWaalsContact CE3-CD1 3.47Å; W70-L78 HydrophobicContact CZ3-CD1 3.73Å; W70-L90 HydrophobicContact CH2-CD1 3.88Å; W70-L90 HydrophobicContact CZ3-CD1 3.7Å; W70-L90 HydrophobicContact CZ3-CG 4.39Å; W70-E93 HydrophobicContact CH2-CB 3.84Å; W70-E93 HydrophobicContact CZ2-CB 4.03Å; W70-F94 HydrophobicContact CB-CD2 3.81Å; W70-F94 HydrophobicContact CB-CE2 3.95Å; W70-F94 HydrophobicContact CD2-CB 4.16Å; W70-F94 AromaticContact CD2-CD2 3.73Å; W70-F94 HydrophobicContact CD2-CD2 3.73Å; W70-F94 HydrophobicContact CD2-CG 4.43Å; W70-F94 HydrophobicContact CE3-CB 3.96Å; W70-F94 AromaticContact CE3-CD2 4Å; W70-F94 HydrophobicContact CE3-CD2 4Å; W70-F94 HydrophobicContact CE3-CG 4.39Å; W70-F94 AromaticContact CG-CD2 3.65Å; W70-F94 HydrophobicContact CG-CD2 3.65Å; W70-F94 HydrophobicContact CG-CE2 4.23Å; W70-F94 HydrophobicContact CH2-CB 4.01Å; W70-F94 HydrophobicContact CZ2-CB 4.26Å; W70-F94 HydrophobicContact CZ3-CB 3.86Å; W70-Y97 AromaticContact CD1-CD1 3.24Å; W70-Y97 AromaticContact CD1-CE1 3.58Å; W70-Y97 AromaticContact CD1-CG 3.64Å; W70-Y97 HydrophobicContact CG-CD1 4.3Å; W70-Y97 AromaticContact NE1-CD1 3.56Å; W70-Y97 AromaticContact NE1-CG 3.44Å; W70-G181 PolarHBondContact NE1-O 3.39Å
71	R	88.4	Confident	79.5	Confident	46 Å²	46	61.6 Å²	61.6	17%	0.174	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	-127.9	-162.2	-54.7	174.9	177.8	164.6	-1.8	109.5	S69 F73 E93 S182 P183 I185	S69-R71 WeakPolarHBondContact CB-O 3.39Å; S69-R71 PolarHBondContact OG-O 3.19Å; R71-F73 HydrophobicContact CB-CD2 4.48Å; R71-E93 IonicContact CZ-OE2 2.78Å; R71-E93 VanDerWaalsContact CZ-OE2 3.23Å; R71-E93 IonicContact NH1-OE2 2.66Å; R71-E93 PolarHBondContact NH1-OE2 3.4Å; R71-E93 IonicContact NH2-OE2 2.7Å; R71-E93 PolarHBondContact NH2-OE2 3.49Å; R71-S182 PolarHBondContact NE-O 2.99Å; R71-S182 VanDerWaalsContact NE-O 3.12Å; R71-P183 VanDerWaalsContact CA-O 3.3Å; R71-P183 WeakPolarHBondContact CA-O 3.34Å; R71-P183 PolarHBondContact N-O 3.23Å; R71-I185 HydrophobicContact CB-CG1 4.06Å
72	N	87.1	Confident	80.3	Confident	123 Å²	123	65.3 Å²	65.3	66%	0.658	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	6.3	176.4	-69.7	-38.1	0	0	0	114	W70 I185	W70-N72 PolarHBondContact O-N 2.88Å; N72-I185 VanDerWaalsContact CG-CD1 3.48Å; N72-I185 WeakPolarHBondContact ND2-CD1 3.25Å; N72-I185 WeakPolarHBondContact OD1-CD1 3.32Å
73	F	86.4	Confident	81.5	Confident	73 Å²	73	65 Å²	65	32%	0.32	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-104.3	139.5	-174.4	-60.4	-79.8	0	0	0	111.4	S69 W70 R71 L78 L90	S69-F73 WeakPolarHBondContact CA-O 3.3Å; S69-F73 WeakPolarHBondContact CB-O 3.36Å; W70-F73 HydrophobicContact CE3-CD2 4.39Å; W70-F73 HydrophobicContact CZ3-CD2 4.43Å; W70-F73 PolarHBondContact N-O 3.47Å; W70-F73 PolarHBondContact O-N 3.34Å; R71-F73 HydrophobicContact CB-CD2 4.48Å; F73-L78 HydrophobicContact CB-CD1 3.6Å; F73-L78 HydrophobicContact CB-CD2 4.29Å; F73-L78 HydrophobicContact CB-CG 3.73Å; F73-L78 HydrophobicContact CD1-CD2 4.08Å; F73-L78 HydrophobicContact CD1-CG 4.37Å; F73-L78 HydrophobicContact CD2-CD1 4.18Å; F73-L78 HydrophobicContact CD2-CD2 4.3Å; F73-L78 HydrophobicContact CG-CD1 3.98Å; F73-L78 HydrophobicContact CG-CD2 3.96Å; F73-L78 HydrophobicContact CG-CG 3.98Å; F73-L90 HydrophobicContact CE1-CD2 4.44Å; F73-L90 HydrophobicContact CE2-CD1 4.26Å; F73-L90 HydrophobicContact CE2-CD2 3.88Å; F73-L90 HydrophobicContact CZ-CD2 3.79Å
74	H	86.7	Confident	83.1	Confident	90 Å²	90	63.6 Å²	63.6	42%	0.417	34%	0.343	S	S	.	.			trans	-76.7	150.2	160.6	-59.4	-69.5	0	0	0	109.2	Q76 D77	H74-Q76 HydrophobicContact CB-CG 3.91Å; H74-Q76 PolarHBondContact O-N 3.16Å; H74-Q76 VanDerWaalsContact O-N 3.15Å; H74-D77 VanDerWaalsContact CB-OD2 3.3Å; H74-D77 WeakPolarHBondContact CB-OD2 3.38Å; H74-D77 IonicContact CD2-OD2 3.97Å; H74-D77 IonicContact CG-OD2 3.26Å; H74-D77 PolarHBondContact N-OD2 2.97Å; H74-D77 WeakPolarHBondContact O-CB 3.29Å; H74-D77 PolarHBondContact O-N 2.91Å
75	T	85	Confident	84.7	Confident	26 Å²	26	65.4 Å²	65.4	16%	0.16	36%	0.357	C	S	.	.	H	α-helix	trans	-55.1	-36.1	177.9	-67.3	0	0	0	0	112.3	F63 D77 L78 A79 F94	F63-T75 HydrophobicContact CB-CG2 4.41Å; F63-T75 WeakPolarHBondContact CB-OG1 3.47Å; F63-T75 WeakPolarHBondContact CD1-OG1 3.3Å; F63-T75 WeakPolarHBondContact CG-OG1 3.47Å; T75-D77 PolarHBondContact O-N 3.48Å; T75-L78 PolarHBondContact O-N 2.89Å; T75-A79 HydrophobicContact CG2-CB 4.43Å; T75-A79 VanDerWaalsContact O-CB 3.23Å; T75-A79 WeakPolarHBondContact O-CB 3.49Å; T75-A79 PolarHBondContact O-N 3.04Å; T75-F94 HydrophobicContact CG2-CE1 4.22Å; T75-F94 HydrophobicContact CG2-CZ 3.74Å
76	Q	86.3	Confident	86.5	Confident	95 Å²	95	63.1 Å²	63.1	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-18.4	177.1	69.7	-143.7	11.9	0	0	114.5	H74 T80 F221	H74-Q76 HydrophobicContact CB-CG 3.91Å; H74-Q76 PolarHBondContact O-N 3.16Å; H74-Q76 VanDerWaalsContact O-N 3.15Å; Q76-T80 WeakPolarHBondContact O-CG2 3.28Å; Q76-F221 HydrophobicContact CB-CD2 4.02Å; Q76-F221 HydrophobicContact CB-CE2 3.8Å; Q76-F221 HydrophobicContact CB-CZ 4.18Å
77	D	90.8	Very high	88.6	Confident	71 Å²	71	60.2 Å²	60.2	38%	0.38	34%	0.338	S	S	.	.	H	α-helix	trans	-83.4	-32.9	177.3	-51.4	-32.8	0	0	0	110.6	H74 T75 T80 A83	H74-D77 VanDerWaalsContact CB-OD2 3.3Å; H74-D77 WeakPolarHBondContact CB-OD2 3.38Å; H74-D77 IonicContact CD2-OD2 3.97Å; H74-D77 IonicContact CG-OD2 3.26Å; H74-D77 PolarHBondContact N-OD2 2.97Å; H74-D77 WeakPolarHBondContact O-CB 3.29Å; H74-D77 PolarHBondContact O-N 2.91Å; T75-D77 PolarHBondContact O-N 3.48Å; D77-T80 PolarHBondContact O-OG1 3.07Å; D77-A83 VanDerWaalsContact O-CB 3.29Å; D77-A83 WeakPolarHBondContact O-CB 3.43Å
78	L	93.2	Very high	90.6	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-93.8	-29.9	-177.8	-66.1	175.4	0	0	0	113.9	W70 F73 T75 T80 L90 F94	W70-L78 HydrophobicContact CE3-CD1 3.47Å; W70-L78 VanDerWaalsContact CE3-CD1 3.47Å; W70-L78 HydrophobicContact CZ3-CD1 3.73Å; F73-L78 HydrophobicContact CB-CD1 3.6Å; F73-L78 HydrophobicContact CB-CD2 4.29Å; F73-L78 HydrophobicContact CB-CG 3.73Å; F73-L78 HydrophobicContact CD1-CD2 4.08Å; F73-L78 HydrophobicContact CD1-CG 4.37Å; F73-L78 HydrophobicContact CD2-CD1 4.18Å; F73-L78 HydrophobicContact CD2-CD2 4.3Å; F73-L78 HydrophobicContact CG-CD1 3.98Å; F73-L78 HydrophobicContact CG-CD2 3.96Å; F73-L78 HydrophobicContact CG-CG 3.98Å; T75-L78 PolarHBondContact O-N 2.89Å; L78-T80 PolarHBondContact O-N 3.08Å; L78-L90 HydrophobicContact CD2-CD2 3.8Å; L78-L90 HydrophobicContact CD2-CG 4.04Å; L78-F94 HydrophobicContact CB-CD1 4.08Å; L78-F94 HydrophobicContact CB-CE1 4.49Å; L78-F94 HydrophobicContact CB-CG 4.4Å; L78-F94 HydrophobicContact CD1-CB 3.83Å; L78-F94 HydrophobicContact CD1-CD1 4.28Å; L78-F94 HydrophobicContact CD1-CD2 4.01Å; L78-F94 HydrophobicContact CD1-CG 3.76Å
79	A	93.2	Very high	91.9	Very high	6 Å²	6	55 Å²	55	5%	0.05	30%	0.297	C	S	.	.	S	Bend	trans	-84.5	55.5	178.3	0	0	0	0	0	111	T75 W220 F221	T75-A79 HydrophobicContact CG2-CB 4.43Å; T75-A79 VanDerWaalsContact O-CB 3.23Å; T75-A79 WeakPolarHBondContact O-CB 3.49Å; T75-A79 PolarHBondContact O-N 3.04Å; A79-W220 VanDerWaalsContact C-CD1 3.49Å; A79-W220 CarbonylContact O-C 3.58Å; A79-W220 WeakPolarHBondContact O-CA 3.38Å; A79-W220 WeakPolarHBondContact O-CB 3.22Å; A79-F221 HydrophobicContact CB-CD2 4.06Å; A79-F221 HydrophobicContact CB-CE2 4.32Å; A79-F221 WeakPolarHBondContact O-CD2 3.18Å; A79-F221 PolarHBondContact O-N 3.35Å
80	T	95.4	Very high	92.6	Very high	26 Å²	26	53.8 Å²	53.8	16%	0.16	29%	0.285	C	S	.	.	S	Bend	trans	-134.3	150.5	178.8	66	0	0	0	0	111.3	Q76 D77 L78 D82 A83 F84 F221	Q76-T80 WeakPolarHBondContact O-CG2 3.28Å; D77-T80 PolarHBondContact O-OG1 3.07Å; L78-T80 PolarHBondContact O-N 3.08Å; T80-D82 VanDerWaalsContact C-N 3.26Å; T80-D82 PolarHBondContact O-N 3.47Å; T80-A83 PolarHBondContact O-N 2.87Å; T80-A83 WeakPolarHBondContact OG1-CB 3.41Å; T80-A83 PolarHBondContact OG1-N 3.07Å; T80-F84 PolarHBondContact O-N 3.13Å; T80-F84 VanDerWaalsContact O-N 3.17Å; T80-F221 HydrophobicContact CG2-CB 4.23Å
81	P	96.1	Very high	93	Very high	45 Å²	45	53.8 Å²	53.8	29%	0.292	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-39.9	170.4	-24.4	34.6	0	0	0	112.7	F84 H85 W220 F221 E223	P81-F84 PolarHBondContact O-N 2.88Å; P81-H85 WeakPolarHBondContact O-CB 3.09Å; P81-H85 PolarHBondContact O-N 2.72Å; P81-W220 HydrophobicContact CB-CE3 4.31Å; P81-W220 HydrophobicContact CG-CB 4.49Å; P81-W220 HydrophobicContact CG-CE3 4.09Å; P81-F221 WeakPolarHBondContact CD-O 3.06Å; P81-E223 HydrophobicContact CG-CG 3.6Å
82	D	97	Very high	93.4	Very high	118 Å²	118	51.7 Å²	51.7	63%	0.631	28%	0.278	S	S	*	.	H	α-helix	trans	-65.5	-41.9	-178.1	-64.9	-26.5	0	0	0	112.2	T80 H85 S86	T80-D82 VanDerWaalsContact C-N 3.26Å; T80-D82 PolarHBondContact O-N 3.47Å; D82-H85 PolarHBondContact O-N 3.19Å; D82-S86 VanDerWaalsContact O-CB 3.29Å; D82-S86 WeakPolarHBondContact O-CB 3.43Å; D82-S86 PolarHBondContact O-N 2.9Å; D82-S86 PolarHBondContact O-OG 3.25Å
83	A	96.6	Very high	93.8	Very high	19 Å²	19	46.4 Å²	46.4	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-40.7	175	0	0	0	0	0	111.6	D77 T80 S86 N87 V91	D77-A83 VanDerWaalsContact O-CB 3.29Å; D77-A83 WeakPolarHBondContact O-CB 3.43Å; T80-A83 PolarHBondContact O-N 2.87Å; T80-A83 WeakPolarHBondContact OG1-CB 3.41Å; T80-A83 PolarHBondContact OG1-N 3.07Å; A83-S86 PolarHBondContact O-N 2.87Å; A83-N87 CarbonylContact O-C 3.54Å; A83-N87 PolarHBondContact O-N 2.82Å; A83-V91 HydrophobicContact CB-CG2 4.06Å
84	F	97.3	Very high	94.3	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-37.2	177.3	-168.8	-93.5	0	0	0	112.4	T80 P81 P88 V91 W92 L160 L213 R215 W220	T80-F84 PolarHBondContact O-N 3.13Å; T80-F84 VanDerWaalsContact O-N 3.17Å; P81-F84 PolarHBondContact O-N 2.88Å; F84-P88 HydrophobicContact CD1-CB 4.19Å; F84-P88 HydrophobicContact CD2-CB 4.03Å; F84-P88 HydrophobicContact CE1-CB 3.92Å; F84-P88 HydrophobicContact CE2-CB 3.8Å; F84-P88 HydrophobicContact CG-CB 4.23Å; F84-P88 HydrophobicContact CZ-CB 3.74Å; F84-P88 WeakPolarHBondContact O-CA 3.34Å; F84-P88 VanDerWaalsContact O-CB 3.24Å; F84-P88 WeakPolarHBondContact O-CB 3.15Å; F84-P88 WeakPolarHBondContact O-CD 3.48Å; F84-V91 HydrophobicContact CB-CG2 4.41Å; F84-V91 HydrophobicContact CD2-CB 3.86Å; F84-V91 HydrophobicContact CD2-CG1 3.73Å; F84-V91 HydrophobicContact CD2-CG2 4.45Å; F84-W92 AromaticContact CE2-CD1 3.75Å; F84-W92 AromaticContact CE2-NE1 3.64Å; F84-W92 AromaticContact CZ-NE1 3.77Å; F84-L160 HydrophobicContact CD1-CD1 4.39Å; F84-L160 HydrophobicContact CE1-CD1 3.69Å; F84-L213 HydrophobicContact CE1-CD2 3.72Å; F84-L213 HydrophobicContact CE1-CG 4.32Å; F84-L213 HydrophobicContact CZ-CD2 3.85Å; F84-L213 HydrophobicContact CZ-CG 4.13Å; F84-R215 HydrophobicContact CE1-CB 4.16Å; F84-R215 HydrophobicContact CE2-CB 4.08Å; F84-R215 HydrophobicContact CZ-CB 3.8Å; F84-W220 HydrophobicContact CB-CE3 4.38Å; F84-W220 HydrophobicContact CB-CH2 3.35Å; F84-W220 HydrophobicContact CB-CZ2 4.1Å; F84-W220 HydrophobicContact CB-CZ3 3.48Å; F84-W220 VanDerWaalsContact CB-CZ3 3.48Å; F84-W220 AromaticContact CD1-CH2 3.78Å; F84-W220 HydrophobicContact CD1-CH2 3.78Å; F84-W220 HydrophobicContact CD1-CZ3 4.18Å; F84-W220 AromaticContact CD2-CH2 3.41Å; F84-W220 HydrophobicContact CD2-CH2 3.41Å; F84-W220 VanDerWaalsContact CD2-CH2 3.41Å; F84-W220 AromaticContact CD2-CZ2 3.82Å; F84-W220 HydrophobicContact CD2-CZ2 3.82Å; F84-W220 HydrophobicContact CD2-CZ3 4.39Å; F84-W220 HydrophobicContact CE1-CH2 4.45Å; F84-W220 HydrophobicContact CE2-CH2 4.12Å; F84-W220 HydrophobicContact CE2-CZ2 4.49Å; F84-W220 AromaticContact CG-CH2 3.21Å; F84-W220 HydrophobicContact CG-CH2 3.21Å; F84-W220 HydrophobicContact CG-CZ2 4.04Å; F84-W220 AromaticContact CG-CZ3 3.77Å; F84-W220 HydrophobicContact CG-CZ3 3.77Å
85	H	96	Very high	94.7	Very high	163 Å²	163	39.3 Å²	39.3	76%	0.755	22%	0.217	S	C	*	.	H	α-helix	trans	-64.4	-44.2	173.7	-177.8	74.8	0	0	0	111.3	P81 D82	P81-H85 WeakPolarHBondContact O-CB 3.09Å; P81-H85 PolarHBondContact O-N 2.72Å; D82-H85 PolarHBondContact O-N 3.19Å
86	S	95.7	Very high	95.3	Very high	99 Å²	99	38.7 Å²	38.7	69%	0.692	21%	0.212	S	C	*	.	H	α-helix	trans	-72.3	-43	-176.4	-57.2	0	0	0	0	113	D82 A83	D82-S86 VanDerWaalsContact O-CB 3.29Å; D82-S86 WeakPolarHBondContact O-CB 3.43Å; D82-S86 PolarHBondContact O-N 2.9Å; D82-S86 PolarHBondContact O-OG 3.25Å; A83-S86 PolarHBondContact O-N 2.87Å
87	N	95.9	Very high	95.7	Very high	67 Å²	67	36.6 Å²	36.6	36%	0.358	20%	0.2	S	C	.	.			trans	-150.5	77.3	-178.4	-166.6	-18.6	0	0	0	111.6	A83 G89 L90 V91	A83-N87 CarbonylContact O-C 3.54Å; A83-N87 PolarHBondContact O-N 2.82Å; N87-G89 PolarHBondContact O-N 2.77Å; N87-G89 PolarHBondContact OD1-N 3.02Å; N87-L90 HydrophobicContact CB-CB 4.07Å; N87-L90 VanDerWaalsContact CG-CB 3.47Å; N87-L90 PolarHBondContact O-N 3.29Å; N87-L90 PolarHBondContact OD1-N 2.83Å; N87-V91 PolarHBondContact O-N 2.76Å
88	P	97	Very high	95.8	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-24.4	-178.3	25.2	-32.5	0	0	0	112.4	F84 W92 L195 L198 L213	F84-P88 HydrophobicContact CD1-CB 4.19Å; F84-P88 HydrophobicContact CD2-CB 4.03Å; F84-P88 HydrophobicContact CE1-CB 3.92Å; F84-P88 HydrophobicContact CE2-CB 3.8Å; F84-P88 HydrophobicContact CG-CB 4.23Å; F84-P88 HydrophobicContact CZ-CB 3.74Å; F84-P88 WeakPolarHBondContact O-CA 3.34Å; F84-P88 VanDerWaalsContact O-CB 3.24Å; F84-P88 WeakPolarHBondContact O-CB 3.15Å; F84-P88 WeakPolarHBondContact O-CD 3.48Å; P88-W92 WeakPolarHBondContact O-CB 3.36Å; P88-W92 VanDerWaalsContact O-CD1 3.3Å; P88-W92 PolarHBondContact O-N 2.89Å; P88-L195 HydrophobicContact CB-CD2 4.32Å; P88-L195 HydrophobicContact CG-CD2 3.14Å; P88-L198 HydrophobicContact CB-CD1 3.98Å; P88-L198 HydrophobicContact CG-CD1 4.06Å; P88-L213 HydrophobicContact CB-CD2 4.24Å; P88-L213 HydrophobicContact CG-CD2 4.48Å
89	G	96.6	Very high	96	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-49.6	174.4	0	0	0	0	0	111.8	N87 V91 W92 E93	N87-G89 PolarHBondContact O-N 2.77Å; N87-G89 PolarHBondContact OD1-N 3.02Å; G89-V91 PolarHBondContact O-N 3.14Å; G89-W92 PolarHBondContact O-N 3.4Å; G89-E93 WeakPolarHBondContact O-CG 3.49Å; G89-E93 PolarHBondContact O-N 2.79Å
90	L	95	Very high	96	Very high	30 Å²	30	35.4 Å²	35.4	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-44.8	175.9	179.2	67	0	0	0	112	W70 F73 L78 N87 W92 E93 F94	W70-L90 HydrophobicContact CH2-CD1 3.88Å; W70-L90 HydrophobicContact CZ3-CD1 3.7Å; W70-L90 HydrophobicContact CZ3-CG 4.39Å; F73-L90 HydrophobicContact CE1-CD2 4.44Å; F73-L90 HydrophobicContact CE2-CD1 4.26Å; F73-L90 HydrophobicContact CE2-CD2 3.88Å; F73-L90 HydrophobicContact CZ-CD2 3.79Å; L78-L90 HydrophobicContact CD2-CD2 3.8Å; L78-L90 HydrophobicContact CD2-CG 4.04Å; N87-L90 HydrophobicContact CB-CB 4.07Å; N87-L90 VanDerWaalsContact CG-CB 3.47Å; N87-L90 PolarHBondContact O-N 3.29Å; N87-L90 PolarHBondContact OD1-N 2.83Å; L90-W92 VanDerWaalsContact C-N 3.34Å; L90-W92 PolarHBondContact O-N 3.34Å; L90-E93 WeakPolarHBondContact O-CB 3.5Å; L90-E93 PolarHBondContact O-N 2.9Å; L90-F94 PolarHBondContact O-N 3.09Å
91	V	96.6	Very high	95.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-41.1	178	178.6	0	0	0	0	110.8	A83 F84 N87 G89 E93 F94 Y95 W220	A83-V91 HydrophobicContact CB-CG2 4.06Å; F84-V91 HydrophobicContact CB-CG2 4.41Å; F84-V91 HydrophobicContact CD2-CB 3.86Å; F84-V91 HydrophobicContact CD2-CG1 3.73Å; F84-V91 HydrophobicContact CD2-CG2 4.45Å; N87-V91 PolarHBondContact O-N 2.76Å; G89-V91 PolarHBondContact O-N 3.14Å; V91-E93 PolarHBondContact O-N 3.3Å; V91-F94 WeakPolarHBondContact O-CB 3.43Å; V91-F94 PolarHBondContact O-N 3.12Å; V91-Y95 HydrophobicContact CG1-CD2 3.62Å; V91-Y95 HydrophobicContact CG1-CE2 3.69Å; V91-Y95 WeakPolarHBondContact O-CD2 3.21Å; V91-Y95 PolarHBondContact O-N 2.72Å; V91-W220 HydrophobicContact CG1-CZ2 4.35Å
92	W	97.8	Very high	95.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-33.9	174.5	-91.2	118.5	0	0	0	113.5	F84 P88 G89 L90 H96 T157 I173 L177 L198 P199 L214 P216	F84-W92 AromaticContact CE2-CD1 3.75Å; F84-W92 AromaticContact CE2-NE1 3.64Å; F84-W92 AromaticContact CZ-NE1 3.77Å; P88-W92 WeakPolarHBondContact O-CB 3.36Å; P88-W92 VanDerWaalsContact O-CD1 3.3Å; P88-W92 PolarHBondContact O-N 2.89Å; G89-W92 PolarHBondContact O-N 3.4Å; L90-W92 VanDerWaalsContact C-N 3.34Å; L90-W92 PolarHBondContact O-N 3.34Å; W92-H96 WeakPolarHBondContact O-CB 3.37Å; W92-H96 PolarHBondContact O-N 2.95Å; W92-T157 HydrophobicContact CH2-CG2 4.06Å; W92-I173 HydrophobicContact CE3-CG2 4.46Å; W92-I173 HydrophobicContact CH2-CD1 3.92Å; W92-I173 HydrophobicContact CZ3-CD1 3.88Å; W92-I173 HydrophobicContact CZ3-CG2 4.36Å; W92-L177 HydrophobicContact CB-CD1 4.28Å; W92-L177 HydrophobicContact CB-CD2 4.36Å; W92-L198 HydrophobicContact CB-CD2 4.04Å; W92-L198 HydrophobicContact CG-CD2 4.3Å; W92-P199 HydrophobicContact CD2-CG 3.92Å; W92-P199 HydrophobicContact CE3-CG 4.14Å; W92-P199 HydrophobicContact CG-CG 4.5Å; W92-P199 HydrophobicContact CH2-CB 4.32Å; W92-P199 HydrophobicContact CH2-CG 4.16Å; W92-P199 HydrophobicContact CZ2-CB 3.94Å; W92-P199 HydrophobicContact CZ2-CG 3.92Å; W92-P199 HydrophobicContact CZ3-CG 4.27Å; W92-L214 VanDerWaalsContact CE2-O 3.3Å; W92-L214 HydrophobicContact CZ2-CB 3.99Å; W92-L214 WeakPolarHBondContact CZ2-O 3.47Å; W92-L214 PolarHBondContact NE1-O 3.45Å; W92-P216 HydrophobicContact CE3-CG 4.27Å; W92-P216 HydrophobicContact CH2-CG 3.93Å; W92-P216 HydrophobicContact CZ2-CG 4.34Å; W92-P216 HydrophobicContact CZ3-CG 3.89Å
93	E	95.9	Very high	95.7	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-43.5	171	-70.1	-166.8	152	0	0	111.7	W70 R71 G89 L90 V91 H96 Y97 L177 R180 G181 I193	W70-E93 HydrophobicContact CH2-CB 3.84Å; W70-E93 HydrophobicContact CZ2-CB 4.03Å; R71-E93 IonicContact CZ-OE2 2.78Å; R71-E93 VanDerWaalsContact CZ-OE2 3.23Å; R71-E93 IonicContact NH1-OE2 2.66Å; R71-E93 PolarHBondContact NH1-OE2 3.4Å; R71-E93 IonicContact NH2-OE2 2.7Å; R71-E93 PolarHBondContact NH2-OE2 3.49Å; G89-E93 WeakPolarHBondContact O-CG 3.49Å; G89-E93 PolarHBondContact O-N 2.79Å; L90-E93 WeakPolarHBondContact O-CB 3.5Å; L90-E93 PolarHBondContact O-N 2.9Å; V91-E93 PolarHBondContact O-N 3.3Å; E93-H96 PolarHBondContact O-N 3.37Å; E93-Y97 PolarHBondContact O-N 2.73Å; E93-L177 HydrophobicContact CG-CD2 3.99Å; E93-R180 HydrophobicContact CG-CB 4Å; E93-R180 WeakPolarHBondContact OE1-CD 3.41Å; E93-G181 WeakPolarHBondContact O-CA 3.34Å; E93-I193 HydrophobicContact CG-CD1 4.2Å
94	F	95.2	Very high	95.5	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-48	175.7	168.6	-112.1	0	0	0	112.1	W70 T75 L78 L90 V91 H96 Y97 C98	W70-F94 HydrophobicContact CB-CD2 3.81Å; W70-F94 HydrophobicContact CB-CE2 3.95Å; W70-F94 HydrophobicContact CD2-CB 4.16Å; W70-F94 AromaticContact CD2-CD2 3.73Å; W70-F94 HydrophobicContact CD2-CD2 3.73Å; W70-F94 HydrophobicContact CD2-CG 4.43Å; W70-F94 HydrophobicContact CE3-CB 3.96Å; W70-F94 AromaticContact CE3-CD2 4Å; W70-F94 HydrophobicContact CE3-CD2 4Å; W70-F94 HydrophobicContact CE3-CG 4.39Å; W70-F94 AromaticContact CG-CD2 3.65Å; W70-F94 HydrophobicContact CG-CD2 3.65Å; W70-F94 HydrophobicContact CG-CE2 4.23Å; W70-F94 HydrophobicContact CH2-CB 4.01Å; W70-F94 HydrophobicContact CZ2-CB 4.26Å; W70-F94 HydrophobicContact CZ3-CB 3.86Å; T75-F94 HydrophobicContact CG2-CE1 4.22Å; T75-F94 HydrophobicContact CG2-CZ 3.74Å; L78-F94 HydrophobicContact CB-CD1 4.08Å; L78-F94 HydrophobicContact CB-CE1 4.49Å; L78-F94 HydrophobicContact CB-CG 4.4Å; L78-F94 HydrophobicContact CD1-CB 3.83Å; L78-F94 HydrophobicContact CD1-CD1 4.28Å; L78-F94 HydrophobicContact CD1-CD2 4.01Å; L78-F94 HydrophobicContact CD1-CG 3.76Å; L90-F94 PolarHBondContact O-N 3.09Å; V91-F94 WeakPolarHBondContact O-CB 3.43Å; V91-F94 PolarHBondContact O-N 3.12Å; F94-H96 VanDerWaalsContact C-N 3.33Å; F94-H96 PolarHBondContact O-N 3.18Å; F94-Y97 WeakPolarHBondContact O-CB 3.49Å; F94-Y97 PolarHBondContact O-N 3.25Å; F94-C98 VanDerWaalsContact CE2-SG 3.57Å; F94-C98 PolarHBondContact O-N 3.44Å; F94-C98 PolarHBondContact O-SG 3.43Å; F94-C98 VanDerWaalsContact O-SG 3.36Å
95	Y	96.6	Very high	95.5	Very high	11 Å²	11	37.5 Å²	37.5	4%	0.043	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-31.3	177.6	-83.4	-80.2	0	0	0	112.8	V91 C98 R99 L154 P216 V218 W220	V91-Y95 HydrophobicContact CG1-CD2 3.62Å; V91-Y95 HydrophobicContact CG1-CE2 3.69Å; V91-Y95 WeakPolarHBondContact O-CD2 3.21Å; V91-Y95 PolarHBondContact O-N 2.72Å; Y95-C98 PolarHBondContact O-N 2.73Å; Y95-R99 WeakPolarHBondContact O-CB 3.4Å; Y95-R99 VanDerWaalsContact O-CG 3.23Å; Y95-R99 WeakPolarHBondContact O-CG 3.37Å; Y95-R99 PolarHBondContact O-N 3.38Å; Y95-L154 HydrophobicContact CD1-CD2 3.51Å; Y95-L154 HydrophobicContact CE1-CD2 3.75Å; Y95-P216 HydrophobicContact CD1-CB 3.83Å; Y95-P216 HydrophobicContact CD1-CG 3.74Å; Y95-P216 HydrophobicContact CD2-CB 4.33Å; Y95-P216 HydrophobicContact CD2-CG 3.49Å; Y95-P216 VanDerWaalsContact CD2-CG 3.49Å; Y95-P216 HydrophobicContact CE1-CB 3.95Å; Y95-P216 HydrophobicContact CE1-CG 4.15Å; Y95-P216 HydrophobicContact CE2-CB 4.42Å; Y95-P216 HydrophobicContact CE2-CG 3.9Å; Y95-P216 HydrophobicContact CG-CB 4.03Å; Y95-P216 HydrophobicContact CG-CG 3.38Å; Y95-V218 HydrophobicContact CE1-CB 4.31Å; Y95-V218 HydrophobicContact CE1-CG1 4.49Å; Y95-V218 HydrophobicContact CE1-CG2 4.06Å; Y95-W220 AromaticContact CE2-NE1 3.57Å; Y95-W220 AromaticContact CZ-NE1 3.52Å; Y95-W220 PolarHBondContact OH-NE1 3.47Å
96	H	96.5	Very high	95.5	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-47.8	171.4	-179.4	43.1	0	0	0	110.9	W92 E93 F94 C98 R99 E100 L177 R180	W92-H96 WeakPolarHBondContact O-CB 3.37Å; W92-H96 PolarHBondContact O-N 2.95Å; E93-H96 PolarHBondContact O-N 3.37Å; F94-H96 VanDerWaalsContact C-N 3.33Å; F94-H96 PolarHBondContact O-N 3.18Å; H96-C98 PolarHBondContact O-N 2.89Å; H96-R99 WeakPolarHBondContact O-CB 3.35Å; H96-R99 PolarHBondContact O-N 2.81Å; H96-E100 IonicContact CE1-OE1 2.78Å; H96-E100 WeakPolarHBondContact O-CG 3.49Å; H96-E100 PolarHBondContact O-N 3.38Å; H96-L177 HydrophobicContact CB-CD1 4.27Å; H96-L177 HydrophobicContact CB-CD2 4.16Å; H96-L177 PolarHBondContact CD2-O 3.39Å; H96-L177 VanDerWaalsContact CD2-O 3.27Å; H96-L177 PolarHBondContact NE2-O 3.4Å; H96-R180 PolarHBondContact CD2-O 3.09Å
97	Y	94.4	Very high	95.6	Very high	51 Å²	51	30.1 Å²	30.1	20%	0.2	16%	0.158	C	C	.	.	H	α-helix	trans	-55	-51.4	173.1	170.8	-105.4	0	0	0	112.5	F63 W70 E93 F94 R99 E100 V101 G181 P183	F63-Y97 HydrophobicContact CZ-CE1 4.24Å; W70-Y97 AromaticContact CD1-CD1 3.24Å; W70-Y97 AromaticContact CD1-CE1 3.58Å; W70-Y97 AromaticContact CD1-CG 3.64Å; W70-Y97 HydrophobicContact CG-CD1 4.3Å; W70-Y97 AromaticContact NE1-CD1 3.56Å; W70-Y97 AromaticContact NE1-CG 3.44Å; E93-Y97 PolarHBondContact O-N 2.73Å; F94-Y97 WeakPolarHBondContact O-CB 3.49Å; F94-Y97 PolarHBondContact O-N 3.25Å; Y97-R99 VanDerWaalsContact C-N 3.3Å; Y97-R99 PolarHBondContact O-N 3.34Å; Y97-E100 PolarHBondContact O-N 3.12Å; Y97-E100 VanDerWaalsContact O-N 3.11Å; Y97-V101 HydrophobicContact CD1-CG2 4.41Å; Y97-V101 HydrophobicContact CD2-CG2 3.99Å; Y97-V101 HydrophobicContact CE1-CG2 3.98Å; Y97-V101 HydrophobicContact CE2-CG2 3.49Å; Y97-V101 VanDerWaalsContact CE2-CG2 3.49Å; Y97-V101 HydrophobicContact CG-CG2 4.43Å; Y97-V101 VanDerWaalsContact CZ-CG2 3.49Å; Y97-V101 WeakPolarHBondContact O-CG2 3.35Å; Y97-V101 PolarHBondContact O-N 3Å; Y97-G181 VanDerWaalsContact CB-O 3.22Å; Y97-G181 WeakPolarHBondContact CB-O 3.41Å; Y97-G181 WeakPolarHBondContact CD2-O 3.21Å; Y97-P183 HydrophobicContact CD2-CB 4.44Å; Y97-P183 HydrophobicContact CD2-CG 4.3Å; Y97-P183 HydrophobicContact CE1-CB 4.37Å; Y97-P183 HydrophobicContact CE2-CB 3.87Å; Y97-P183 HydrophobicContact CE2-CG 3.58Å
98	C	94.6	Very high	95.7	Very high	12 Å²	12	27.7 Å²	27.7	8%	0.081	15%	0.146	C	C	.	.	H	α-helix	trans	-57.2	-43.4	179.1	-71.3	0	0	0	0	111.9	F94 Y95 H96 V101 V102 L154	F94-C98 VanDerWaalsContact CE2-SG 3.57Å; F94-C98 PolarHBondContact O-N 3.44Å; F94-C98 PolarHBondContact O-SG 3.43Å; F94-C98 VanDerWaalsContact O-SG 3.36Å; Y95-C98 PolarHBondContact O-N 2.73Å; H96-C98 PolarHBondContact O-N 2.89Å; C98-V101 PolarHBondContact O-N 3.36Å; C98-V102 WeakPolarHBondContact O-CB 3.49Å; C98-V102 VanDerWaalsContact O-CG2 3.32Å; C98-V102 WeakPolarHBondContact O-CG2 3.41Å; C98-V102 PolarHBondContact O-N 3.42Å; C98-L154 HydrophobicContact CB-CD1 4.31Å; C98-L154 HydrophobicContact CB-CD2 4.19Å
99	R	95.7	Very high	95.8	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.011	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-44.8	175.3	-73.8	166.4	59.2	86.7	-1.7	111.9	Y95 H96 Y97 R103 L154 Y155 N168 D170	Y95-R99 WeakPolarHBondContact O-CB 3.4Å; Y95-R99 VanDerWaalsContact O-CG 3.23Å; Y95-R99 WeakPolarHBondContact O-CG 3.37Å; Y95-R99 PolarHBondContact O-N 3.38Å; H96-R99 WeakPolarHBondContact O-CB 3.35Å; H96-R99 PolarHBondContact O-N 2.81Å; Y97-R99 VanDerWaalsContact C-N 3.3Å; Y97-R99 PolarHBondContact O-N 3.34Å; R99-R103 WeakPolarHBondContact O-CB 3.33Å; R99-R103 PolarHBondContact O-N 2.83Å; R99-L154 HydrophobicContact CG-CB 4.3Å; R99-L154 PolarHBondContact NH1-O 2.97Å; R99-Y155 HydrophobicContact CB-CE1 4.48Å; R99-Y155 PolarHBondContact O-OH 3.1Å; R99-N168 PolarHBondContact NH1-O 2.85Å; R99-N168 PolarHBondContact NH2-O 3.34Å; R99-N168 PolarHBondContact NH2-OD1 3.05Å; R99-N168 VanDerWaalsContact NH2-OD1 3.09Å; R99-D170 PolarHBondContact NH2-O 2.96Å
100	E	93.9	Very high	95.9	Very high	41 Å²	41	29.2 Å²	29.2	19%	0.192	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-42	179.7	-69.9	-54.8	122	0	0	112.4	H96 Y97 R103 K171	H96-E100 IonicContact CE1-OE1 2.78Å; H96-E100 WeakPolarHBondContact O-CG 3.49Å; H96-E100 PolarHBondContact O-N 3.38Å; Y97-E100 PolarHBondContact O-N 3.12Å; Y97-E100 VanDerWaalsContact O-N 3.11Å; E100-R103 IonicContact OE1-NE 2.69Å; E100-K171 WeakPolarHBondContact OE1-CG 3.49Å; E100-K171 VanDerWaalsContact OE2-CD 3.26Å; E100-K171 WeakPolarHBondContact OE2-CD 3.3Å; E100-K171 WeakPolarHBondContact OE2-CE 3.42Å; E100-K171 IonicContact OE2-NZ 3.9Å; E100-K171 PolarHBondContact OE2-NZ 3.09Å
101	V	93.1	Very high	96.1	Very high	21 Å²	21	27.8 Å²	27.8	13%	0.127	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-56.5	174.9	172.1	0	0	0	0	110.1	P61 Y97 C98 R103 S104 R105	P61-V101 HydrophobicContact CG-CG1 4.34Å; Y97-V101 HydrophobicContact CD1-CG2 4.41Å; Y97-V101 HydrophobicContact CD2-CG2 3.99Å; Y97-V101 HydrophobicContact CE1-CG2 3.98Å; Y97-V101 HydrophobicContact CE2-CG2 3.49Å; Y97-V101 VanDerWaalsContact CE2-CG2 3.49Å; Y97-V101 HydrophobicContact CG-CG2 4.43Å; Y97-V101 VanDerWaalsContact CZ-CG2 3.49Å; Y97-V101 WeakPolarHBondContact O-CG2 3.35Å; Y97-V101 PolarHBondContact O-N 3Å; C98-V101 PolarHBondContact O-N 3.36Å; V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 3.41Å; V101-S104 PolarHBondContact O-N 3.04Å; V101-S104 PolarHBondContact O-OG 3Å; V101-R105 WeakPolarHBondContact O-CG 3.44Å
102	V	94.6	Very high	96.2	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.048	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-36.2	-176.2	172.8	0	0	0	0	111.8	V60 C98 S104 R105 D136 L154 Y155	V60-V102 HydrophobicContact CG1-CG2 4.06Å; V60-V102 HydrophobicContact CG2-CG2 4.36Å; C98-V102 WeakPolarHBondContact O-CB 3.49Å; C98-V102 VanDerWaalsContact O-CG2 3.32Å; C98-V102 WeakPolarHBondContact O-CG2 3.41Å; C98-V102 PolarHBondContact O-N 3.42Å; V102-S104 PolarHBondContact O-N 2.93Å; V102-R105 WeakPolarHBondContact O-CB 3.32Å; V102-R105 PolarHBondContact O-N 2.89Å; V102-D136 HydrophobicContact CG1-CB 3.78Å; V102-D136 VanDerWaalsContact CG1-O 3.29Å; V102-D136 WeakPolarHBondContact CG1-O 3.34Å; V102-D136 HydrophobicContact CG2-CB 4.19Å; V102-L154 HydrophobicContact CB-CD1 4.49Å; V102-L154 HydrophobicContact CG2-CD1 3.91Å; V102-Y155 HydrophobicContact CG1-CE2 4.11Å
103	R	94.5	Very high	96.2	Very high	78 Å²	78	32.3 Å²	32.3	29%	0.294	18%	0.176	S	C	.	.	H	α-helix	trans	-56.4	-38.2	178.6	-175.5	-177.4	-61.5	-103.3	2.3	112.2	R99 E100 V101 R105 Y155 F169 D170	R99-R103 WeakPolarHBondContact O-CB 3.33Å; R99-R103 PolarHBondContact O-N 2.83Å; E100-R103 IonicContact OE1-NE 2.69Å; V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 3.41Å; R103-R105 PolarHBondContact O-N 2.89Å; R103-Y155 VanDerWaalsContact CA-OH 3.26Å; R103-Y155 WeakPolarHBondContact CA-OH 3.46Å; R103-Y155 PolarHBondContact N-OH 2.62Å; R103-F169 VanDerWaalsContact CZ-O 3.28Å; R103-F169 PolarHBondContact NH1-O 2.93Å; R103-F169 PolarHBondContact NH2-O 3.36Å; R103-D170 PolarHBondContact NH2-O 2.87Å
104	S	93.5	Very high	96.3	Very high	78 Å²	78	31.8 Å²	31.8	55%	0.545	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-3.7	178.4	74.1	0	0	0	0	114.3	V101 V102	V101-S104 PolarHBondContact O-N 3.04Å; V101-S104 PolarHBondContact O-OG 3Å; V102-S104 PolarHBondContact O-N 2.93Å
105	R	95.7	Very high	96.5	Very high	79 Å²	79	32.2 Å²	32.2	30%	0.298	18%	0.178	S	C	.	.			trans	-98.4	151.6	-177.6	-53.8	-42.3	-172.3	-171	-1.4	112.2	S58 H59 V60 V101 V102 R103 K141	S58-R105 WeakPolarHBondContact O-CB 3.4Å; S58-R105 WeakPolarHBondContact O-CD 3.24Å; S58-R105 VanDerWaalsContact O-CG 3.24Å; S58-R105 WeakPolarHBondContact O-CG 3.46Å; H59-R105 PolarHBondContact O-NE 3.46Å; H59-R105 PolarHBondContact O-NH2 2.94Å; V60-R105 HydrophobicContact CG2-CB 4.17Å; V60-R105 HydrophobicContact CG2-CG 3.89Å; V101-R105 WeakPolarHBondContact O-CG 3.44Å; V102-R105 WeakPolarHBondContact O-CB 3.32Å; V102-R105 PolarHBondContact O-N 2.89Å; R103-R105 PolarHBondContact O-N 2.89Å; R105-K141 PolarHBondContact O-NZ 3.49Å
106	C	97	Very high	96.6	Very high	84 Å²	84	36.4 Å²	36.4	57%	0.568	20%	0.197	S	C	*	.			trans	-115	151.6	175.8	-67.5	0	0	0	0	110.4	S58 N108	S58-C106 WeakPolarHBondContact CB-O 3.47Å; S58-C106 PolarHBondContact OG-O 3.47Å; C106-N108 PolarHBondContact O-N 3.13Å
107	P	98.3	Very high	96.6	Very high	22 Å²	22	35.8 Å²	35.8	14%	0.143	20%	0.195	C	C	.	.			trans	-56.5	135.9	169.1	-17.9	30.4	0	0	0	110.2	H111 L138 K141 A142	P107-H111 HydrophobicContact CB-CB 3.65Å; P107-L138 HydrophobicContact CG-CD2 4.47Å; P107-L138 WeakPolarHBondContact CG-O 3.39Å; P107-K141 HydrophobicContact CG-CB 3.94Å; P107-K141 HydrophobicContact CG-CD 4.37Å; P107-K141 HydrophobicContact CG-CG 3.9Å; P107-A142 HydrophobicContact CB-CB 3.7Å; P107-A142 HydrophobicContact CG-CB 3.91Å
108	N	98.3	Very high	96.8	Very high	17 Å²	17	33.7 Å²	33.7	9%	0.091	19%	0.187	C	C	.	.			trans	-86.9	179.3	174.6	60.7	53.9	0	0	0	111.5	I54 E57 S58 C106 G110 H111 L112	I54-N108 PolarHBondContact O-ND2 3.3Å; E57-N108 HydrophobicContact CB-CB 4.05Å; S58-N108 PolarHBondContact OG-N 2.96Å; S58-N108 PolarHBondContact OG-ND2 3Å; C106-N108 PolarHBondContact O-N 3.13Å; N108-G110 PolarHBondContact O-N 2.99Å; N108-G110 VanDerWaalsContact O-N 3.11Å; N108-G110 WeakPolarHBondContact OD1-CA 3.19Å; N108-G110 PolarHBondContact OD1-N 3.35Å; N108-H111 VanDerWaalsContact CG-ND1 3.33Å; N108-H111 PolarHBondContact ND2-CE1 3.34Å; N108-H111 PolarHBondContact ND2-ND1 3.37Å; N108-H111 VanDerWaalsContact ND2-ND1 3.18Å; N108-H111 PolarHBondContact O-N 3.32Å; N108-H111 PolarHBondContact OD1-N 3.39Å; N108-H111 PolarHBondContact OD1-ND1 2.96Å; N108-H111 VanDerWaalsContact OD1-ND1 3.12Å; N108-L112 WeakPolarHBondContact O-CG 3.32Å; N108-L112 PolarHBondContact O-N 3.02Å; N108-L112 VanDerWaalsContact O-N 3.1Å
109	A	98.4	Very high	97	Very high	48 Å²	48	38.9 Å²	38.9	40%	0.397	21%	0.208	S	C	.	.	H	α-helix	trans	-54.2	-31.2	179.8	0	0	0	0	0	113.9	L112 A113 G292 P296	A109-L112 PolarHBondContact O-N 3.33Å; A109-A113 VanDerWaalsContact O-CB 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.3Å; A109-A113 PolarHBondContact O-N 3.47Å; A109-G292 WeakPolarHBondContact CB-O 3.44Å; A109-P296 HydrophobicContact CB-CG 4.3Å
110	G	98.4	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.4	-42.4	178	0	0	0	0	0	112.3	N108 A113 L114 L295	N108-G110 PolarHBondContact O-N 2.99Å; N108-G110 VanDerWaalsContact O-N 3.11Å; N108-G110 WeakPolarHBondContact OD1-CA 3.19Å; N108-G110 PolarHBondContact OD1-N 3.35Å; G110-A113 PolarHBondContact O-N 2.72Å; G110-L114 WeakPolarHBondContact O-CG 3.44Å; G110-L114 PolarHBondContact O-N 3.24Å; G110-L295 WeakPolarHBondContact O-CD1 3.37Å
111	H	98.8	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-43.6	174.3	-63.9	87.2	0	0	0	111.7	I54 P107 N108 A113 L114 A115 H139 A142	I54-H111 PolarHBondContact O-CE1 3.11Å; I54-H111 VanDerWaalsContact O-CE1 3.23Å; P107-H111 HydrophobicContact CB-CB 3.65Å; N108-H111 VanDerWaalsContact CG-ND1 3.33Å; N108-H111 PolarHBondContact ND2-CE1 3.34Å; N108-H111 PolarHBondContact ND2-ND1 3.37Å; N108-H111 VanDerWaalsContact ND2-ND1 3.18Å; N108-H111 PolarHBondContact O-N 3.32Å; N108-H111 PolarHBondContact OD1-N 3.39Å; N108-H111 PolarHBondContact OD1-ND1 2.96Å; N108-H111 VanDerWaalsContact OD1-ND1 3.12Å; H111-A113 VanDerWaalsContact C-N 3.33Å; H111-A113 PolarHBondContact O-N 3.19Å; H111-L114 PolarHBondContact O-N 3.31Å; H111-A115 PolarHBondContact O-N 2.72Å; H111-H139 AromaticContact CD2-CE1 3.76Å; H111-H139 AromaticContact CD2-ND1 3.69Å; H111-A142 HydrophobicContact CB-CB 3.77Å
112	L	98.6	Very high	97.5	Very high	93 Å²	93	40.6 Å²	40.6	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-38.2	179.2	-63.1	175	0	0	0	111.7	N108 A109 A115 H116 A142	N108-L112 WeakPolarHBondContact O-CG 3.32Å; N108-L112 PolarHBondContact O-N 3.02Å; N108-L112 VanDerWaalsContact O-N 3.1Å; A109-L112 PolarHBondContact O-N 3.33Å; L112-A115 PolarHBondContact O-N 3.39Å; L112-H116 WeakPolarHBondContact O-CB 3.49Å; L112-H116 PolarHBondContact O-N 2.93Å; L112-A142 HydrophobicContact CD2-CB 4.3Å
113	A	98.6	Very high	97.5	Very high	5 Å²	5	47 Å²	47	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-41.8	174.7	0	0	0	0	0	112	A109 G110 H111 H116 A117 L295 P296	A109-A113 VanDerWaalsContact O-CB 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.3Å; A109-A113 PolarHBondContact O-N 3.47Å; G110-A113 PolarHBondContact O-N 2.72Å; H111-A113 VanDerWaalsContact C-N 3.33Å; H111-A113 PolarHBondContact O-N 3.19Å; A113-H116 PolarHBondContact O-N 3.22Å; A113-A117 VanDerWaalsContact O-CB 3.29Å; A113-A117 WeakPolarHBondContact O-CB 3.4Å; A113-A117 PolarHBondContact O-N 3.33Å; A113-L295 HydrophobicContact CB-CB 3.79Å; A113-P296 HydrophobicContact CB-CG 4.15Å
114	L	98.6	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-39.8	175.3	-64.6	175.6	0	0	0	112.2	A48 T50 I54 G110 H111 A117 E118 F128 I130 L295 F299	A48-L114 HydrophobicContact CB-CD2 4.16Å; T50-L114 HydrophobicContact CG2-CD1 4.07Å; I54-L114 HydrophobicContact CD1-CD1 3.64Å; G110-L114 WeakPolarHBondContact O-CG 3.44Å; G110-L114 PolarHBondContact O-N 3.24Å; H111-L114 PolarHBondContact O-N 3.31Å; L114-A117 PolarHBondContact O-N 3.35Å; L114-E118 WeakPolarHBondContact O-CB 3.41Å; L114-E118 PolarHBondContact O-N 3.06Å; L114-F128 HydrophobicContact CD2-CE1 4.34Å; L114-F128 HydrophobicContact CD2-CZ 3.85Å; L114-I130 HydrophobicContact CB-CD1 4.15Å; L114-L295 HydrophobicContact CD1-CD1 4.26Å; L114-L295 HydrophobicContact CD2-CD1 4.24Å; L114-L295 HydrophobicContact CD2-CD2 4.2Å; L114-L295 HydrophobicContact CG-CD1 4Å; L114-F299 HydrophobicContact CD2-CE2 4.04Å
115	A	98.5	Very high	97.8	Very high	13 Å²	13	46.7 Å²	46.7	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-43.2	175.8	0	0	0	0	0	111.8	H111 L112 E118 K119 A142 C144	H111-A115 PolarHBondContact O-N 2.72Å; L112-A115 PolarHBondContact O-N 3.39Å; A115-E118 PolarHBondContact O-N 3.23Å; A115-K119 PolarHBondContact O-N 2.82Å; A115-K119 VanDerWaalsContact O-N 3.12Å; A115-A142 HydrophobicContact CB-CB 4.18Å; A115-A142 VanDerWaalsContact CB-O 3.28Å; A115-A142 WeakPolarHBondContact CB-O 3.39Å; A115-C144 VanDerWaalsContact CA-SG 3.58Å
116	H	97.8	Very high	97.9	Very high	99 Å²	99	44.4 Å²	44.4	46%	0.458	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-45.9	175.7	-178.3	61.2	0	0	0	111.7	L112 A113 K119 Q120	L112-H116 WeakPolarHBondContact O-CB 3.49Å; L112-H116 PolarHBondContact O-N 2.93Å; A113-H116 PolarHBondContact O-N 3.22Å; H116-K119 PolarHBondContact O-N 2.93Å; H116-Q120 PolarHBondContact O-N 3.31Å
117	A	98.4	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-47.1	176	0	0	0	0	0	111.3	A113 L114 K119 Q120 Y121 F128 F299	A113-A117 VanDerWaalsContact O-CB 3.29Å; A113-A117 WeakPolarHBondContact O-CB 3.4Å; A113-A117 PolarHBondContact O-N 3.33Å; L114-A117 PolarHBondContact O-N 3.35Å; A117-K119 VanDerWaalsContact C-N 3.3Å; A117-K119 PolarHBondContact O-N 3.11Å; A117-Q120 PolarHBondContact O-N 2.69Å; A117-Q120 VanDerWaalsContact O-N 3.11Å; A117-Y121 VanDerWaalsContact O-CD2 3.26Å; A117-Y121 WeakPolarHBondContact O-CD2 3.26Å; A117-Y121 PolarHBondContact O-N 3.4Å; A117-F128 HydrophobicContact CB-CD2 4.25Å; A117-F128 HydrophobicContact CB-CE2 3.66Å; A117-F128 HydrophobicContact CB-CZ 4.03Å; A117-F299 HydrophobicContact CB-CB 4.21Å; A117-F299 HydrophobicContact CB-CD1 3.46Å; A117-F299 VanDerWaalsContact CB-CD1 3.46Å; A117-F299 HydrophobicContact CB-CD2 4.11Å; A117-F299 HydrophobicContact CB-CE1 3.74Å; A117-F299 HydrophobicContact CB-CE2 4.35Å; A117-F299 HydrophobicContact CB-CG 3.67Å; A117-F299 HydrophobicContact CB-CZ 4.18Å
118	E	98.4	Very high	98	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-54.8	-47.9	177	-179.4	-174.3	179.8	0	0	111.7	L114 A115 Q120 Y121 T122 F128 C144 V145 N146	L114-E118 WeakPolarHBondContact O-CB 3.41Å; L114-E118 PolarHBondContact O-N 3.06Å; A115-E118 PolarHBondContact O-N 3.23Å; E118-Q120 VanDerWaalsContact C-N 3.34Å; E118-Q120 PolarHBondContact O-N 3.06Å; E118-Y121 PolarHBondContact O-N 3.26Å; E118-T122 HydrophobicContact CG-CG2 4.33Å; E118-T122 WeakPolarHBondContact O-CB 3.41Å; E118-T122 VanDerWaalsContact O-CG2 3.31Å; E118-T122 WeakPolarHBondContact O-CG2 3.32Å; E118-T122 PolarHBondContact O-N 3.11Å; E118-T122 PolarHBondContact O-OG1 3.01Å; E118-F128 HydrophobicContact CB-CB 4.22Å; E118-F128 HydrophobicContact CB-CD1 3.82Å; E118-F128 HydrophobicContact CB-CE1 4.47Å; E118-F128 HydrophobicContact CB-CG 4.1Å; E118-F128 HydrophobicContact CG-CB 4.18Å; E118-F128 HydrophobicContact CG-CD1 4.29Å; E118-C144 WeakPolarHBondContact OE2-CA 3.45Å; E118-C144 VanDerWaalsContact OE2-CB 3.32Å; E118-C144 WeakPolarHBondContact OE2-CB 3.44Å; E118-V145 WeakPolarHBondContact OE1-CB 3.46Å; E118-V145 PolarHBondContact OE1-N 3.23Å; E118-V145 PolarHBondContact OE2-N 2.87Å; E118-N146 WeakPolarHBondContact OE1-CB 3.44Å; E118-N146 VanDerWaalsContact OE1-CG 3.28Å; E118-N146 PolarHBondContact OE1-N 3.29Å; E118-N146 PolarHBondContact OE1-ND2 3.08Å
119	K	97.6	Very high	97.9	Very high	121 Å²	121	42.4 Å²	42.4	53%	0.526	24%	0.243	S	C	.	.	H	α-helix	trans	-58.5	-47.2	177.1	-177.7	176.6	173.8	-179.7	0	111.3	A115 H116 A117 Y121 T122 E123	A115-K119 PolarHBondContact O-N 2.82Å; A115-K119 VanDerWaalsContact O-N 3.12Å; H116-K119 PolarHBondContact O-N 2.93Å; A117-K119 VanDerWaalsContact C-N 3.3Å; A117-K119 PolarHBondContact O-N 3.11Å; K119-Y121 PolarHBondContact O-N 2.95Å; K119-T122 WeakPolarHBondContact CA-OG1 3.47Å; K119-T122 PolarHBondContact O-N 2.91Å; K119-T122 PolarHBondContact O-OG1 2.97Å; K119-E123 WeakPolarHBondContact CE-OE1 3.24Å; K119-E123 HydrophobicContact CG-CG 4.38Å; K119-E123 IonicContact NZ-OE1 3.94Å; K119-E123 WeakPolarHBondContact O-CB 3.41Å; K119-E123 VanDerWaalsContact O-CG 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.21Å; K119-E123 PolarHBondContact O-N 2.8Å
120	Q	97.2	Very high	98	Very high	39 Å²	39	40.1 Å²	40.1	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-45.7	180	-172	-175.8	10.4	0	0	112.7	H116 A117 E118 C124 L302 L304	H116-Q120 PolarHBondContact O-N 3.31Å; A117-Q120 PolarHBondContact O-N 2.69Å; A117-Q120 VanDerWaalsContact O-N 3.11Å; E118-Q120 VanDerWaalsContact C-N 3.34Å; E118-Q120 PolarHBondContact O-N 3.06Å; Q120-C124 PolarHBondContact O-N 2.78Å; Q120-L302 PolarHBondContact NE2-O 2.92Å; Q120-L304 HydrophobicContact CG-CD1 4.01Å; Q120-L304 HydrophobicContact CG-CG 4.42Å
121	Y	98.1	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-43.7	178.7	-84.7	-101.8	0	0	0	111.4	L40 S43 V46 A117 E118 K119 C124 G125 R126 F128 F299 L302 L304	L40-Y121 PolarHBondContact O-OH 3.31Å; S43-Y121 WeakPolarHBondContact O-CE1 3.4Å; V46-Y121 HydrophobicContact CG2-CD1 3.75Å; V46-Y121 HydrophobicContact CG2-CE1 3.21Å; V46-Y121 HydrophobicContact CG2-CE2 4.17Å; V46-Y121 HydrophobicContact CG2-CG 4.44Å; V46-Y121 VanDerWaalsContact CG2-CZ 3.43Å; A117-Y121 VanDerWaalsContact O-CD2 3.26Å; A117-Y121 WeakPolarHBondContact O-CD2 3.26Å; A117-Y121 PolarHBondContact O-N 3.4Å; E118-Y121 PolarHBondContact O-N 3.26Å; K119-Y121 PolarHBondContact O-N 2.95Å; Y121-C124 CarbonylContact O-C 3.59Å; Y121-C124 PolarHBondContact O-N 2.76Å; Y121-G125 PolarHBondContact O-N 2.62Å; Y121-R126 CarbonylContact C-O 3.55Å; Y121-R126 HydrophobicContact CD1-CB 3.82Å; Y121-R126 HydrophobicContact CG-CB 4.46Å; Y121-R126 CarbonylContact O-C 3.55Å; Y121-R126 WeakPolarHBondContact O-CA 3.41Å; Y121-R126 WeakPolarHBondContact O-CB 3.44Å; Y121-R126 PolarHBondContact O-N 2.87Å; Y121-F128 AromaticContact CD2-CD2 3.84Å; Y121-F128 HydrophobicContact CD2-CD2 3.84Å; Y121-F128 HydrophobicContact CE2-CD2 4.17Å; Y121-F128 HydrophobicContact CG-CB 4.39Å; Y121-F128 HydrophobicContact CG-CD2 4.14Å; Y121-F299 HydrophobicContact CE2-CE1 4.35Å; Y121-L302 HydrophobicContact CE2-CD2 4.36Å; Y121-L304 HydrophobicContact CD1-CD1 4.13Å; Y121-L304 HydrophobicContact CD2-CD1 4.03Å; Y121-L304 HydrophobicContact CD2-CD2 4.34Å; Y121-L304 HydrophobicContact CE1-CD1 4.34Å; Y121-L304 HydrophobicContact CE1-CD2 3.91Å; Y121-L304 HydrophobicContact CE2-CD1 4.31Å; Y121-L304 HydrophobicContact CE2-CD2 3.79Å; Y121-L304 HydrophobicContact CG-CD1 3.97Å
122	T	97.2	Very high	97.8	Very high	63 Å²	63	40.3 Å²	40.3	39%	0.387	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-37.7	-179.1	52.4	0	0	0	0	112.4	E118 K119 C124 G125 R126	E118-T122 HydrophobicContact CG-CG2 4.33Å; E118-T122 WeakPolarHBondContact O-CB 3.41Å; E118-T122 VanDerWaalsContact O-CG2 3.31Å; E118-T122 WeakPolarHBondContact O-CG2 3.32Å; E118-T122 PolarHBondContact O-N 3.11Å; E118-T122 PolarHBondContact O-OG1 3.01Å; K119-T122 WeakPolarHBondContact CA-OG1 3.47Å; K119-T122 PolarHBondContact O-N 2.91Å; K119-T122 PolarHBondContact O-OG1 2.97Å; T122-C124 VanDerWaalsContact C-N 3.26Å; T122-C124 PolarHBondContact O-N 3.22Å; T122-G125 PolarHBondContact O-N 2.79Å; T122-G125 VanDerWaalsContact O-N 3.09Å; T122-R126 WeakPolarHBondContact CA-O 3.44Å
123	E	96.6	Very high	97.6	Very high	141 Å²	141	36.4 Å²	36.4	66%	0.659	21%	0.205	S	C	*	.	H	α-helix	trans	-63.5	-28.6	173.4	-75	175.6	168.7	0	0	112.9	K119 G125	K119-E123 WeakPolarHBondContact CE-OE1 3.24Å; K119-E123 HydrophobicContact CG-CG 4.38Å; K119-E123 IonicContact NZ-OE1 3.94Å; K119-E123 WeakPolarHBondContact O-CB 3.41Å; K119-E123 VanDerWaalsContact O-CG 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.21Å; K119-E123 PolarHBondContact O-N 2.8Å; E123-G125 VanDerWaalsContact C-N 3.33Å
124	C	95.8	Very high	97.4	Very high	76 Å²	76	36.7 Å²	36.7	51%	0.514	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.4	174	-66.4	0	0	0	0	114.1	Q120 Y121 T122 R126 L304	Q120-C124 PolarHBondContact O-N 2.78Å; Y121-C124 CarbonylContact O-C 3.59Å; Y121-C124 PolarHBondContact O-N 2.76Å; T122-C124 VanDerWaalsContact C-N 3.26Å; T122-C124 PolarHBondContact O-N 3.22Å; C124-R126 VanDerWaalsContact C-N 3.28Å; C124-R126 PolarHBondContact O-N 2.94Å; C124-L304 HydrophobicContact CB-CD1 4.09Å
125	G	97.3	Very high	97.3	Very high	74 Å²	74	38.2 Å²	38.2	76%	0.763	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	20.1	-179.3	0	0	0	0	0	114.3	Y121 T122 E123	Y121-G125 PolarHBondContact O-N 2.62Å; T122-G125 PolarHBondContact O-N 2.79Å; T122-G125 VanDerWaalsContact O-N 3.09Å; E123-G125 VanDerWaalsContact C-N 3.33Å
126	R	97.9	Very high	97.2	Very high	32 Å²	32	38.1 Å²	38.1	12%	0.121	21%	0.213	C	C	.	.			trans	-105.4	168.3	177.3	-60.4	177.7	179	-168.3	7.5	110.8	S41 S43 H44 Y121 T122 C124 T305	S41-R126 PolarHBondContact O-NH1 2.92Å; S43-R126 WeakPolarHBondContact O-CD 3.35Å; S43-R126 PolarHBondContact O-NH1 2.73Å; H44-R126 WeakPolarHBondContact O-CB 3.4Å; Y121-R126 CarbonylContact C-O 3.55Å; Y121-R126 HydrophobicContact CD1-CB 3.82Å; Y121-R126 HydrophobicContact CG-CB 4.46Å; Y121-R126 CarbonylContact O-C 3.55Å; Y121-R126 WeakPolarHBondContact O-CA 3.41Å; Y121-R126 WeakPolarHBondContact O-CB 3.44Å; Y121-R126 PolarHBondContact O-N 2.87Å; T122-R126 WeakPolarHBondContact CA-O 3.44Å; C124-R126 VanDerWaalsContact C-N 3.28Å; C124-R126 PolarHBondContact O-N 2.94Å; R126-T305 PolarHBondContact NH2-O 3.02Å
127	S	98.1	Very high	97.1	Very high	32 Å²	32	34 Å²	34	22%	0.224	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.2	-176.6	157.7	0	0	0	0	110.9	H44 N45 V46	H44-S127 PolarHBondContact O-N 2.63Å; N45-S127 WeakPolarHBondContact CA-O 3.33Å; N45-S127 WeakPolarHBondContact OD1-CB 3.45Å; V46-S127 PolarHBondContact N-O 3.39Å
128	F	98.5	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	117.6	170.5	-167.4	-70	0	0	0	108.6	V46 A48 L114 A117 E118 Y121 I130 N146 F299	V46-F128 HydrophobicContact CB-CB 4.49Å; V46-F128 HydrophobicContact CB-CD2 3.54Å; V46-F128 HydrophobicContact CB-CE2 3.94Å; V46-F128 HydrophobicContact CB-CG 4.13Å; V46-F128 HydrophobicContact CG1-CD2 3.59Å; V46-F128 HydrophobicContact CG1-CE2 3.42Å; V46-F128 VanDerWaalsContact CG1-CE2 3.42Å; V46-F128 HydrophobicContact CG1-CG 4.36Å; V46-F128 HydrophobicContact CG1-CZ 4.06Å; V46-F128 HydrophobicContact CG2-CD2 4.08Å; V46-F128 CarbonylContact O-C 3.48Å; V46-F128 WeakPolarHBondContact O-CA 3.47Å; A48-F128 HydrophobicContact CB-CE1 4.28Å; A48-F128 HydrophobicContact CB-CZ 4.4Å; L114-F128 HydrophobicContact CD2-CE1 4.34Å; L114-F128 HydrophobicContact CD2-CZ 3.85Å; A117-F128 HydrophobicContact CB-CD2 4.25Å; A117-F128 HydrophobicContact CB-CE2 3.66Å; A117-F128 HydrophobicContact CB-CZ 4.03Å; E118-F128 HydrophobicContact CB-CB 4.22Å; E118-F128 HydrophobicContact CB-CD1 3.82Å; E118-F128 HydrophobicContact CB-CE1 4.47Å; E118-F128 HydrophobicContact CB-CG 4.1Å; E118-F128 HydrophobicContact CG-CB 4.18Å; E118-F128 HydrophobicContact CG-CD1 4.29Å; Y121-F128 AromaticContact CD2-CD2 3.84Å; Y121-F128 HydrophobicContact CD2-CD2 3.84Å; Y121-F128 HydrophobicContact CE2-CD2 4.17Å; Y121-F128 HydrophobicContact CG-CB 4.39Å; Y121-F128 HydrophobicContact CG-CD2 4.14Å; F128-I130 HydrophobicContact CD1-CG1 4.45Å; F128-I130 HydrophobicContact CE1-CD1 4.39Å; F128-I130 HydrophobicContact CE1-CG1 3.96Å; F128-N146 VanDerWaalsContact O-CB 3.32Å; F128-N146 WeakPolarHBondContact O-CB 3.32Å; F128-F299 AromaticContact CE2-CE1 3.99Å; F128-F299 HydrophobicContact CE2-CE1 3.99Å; F128-F299 AromaticContact CE2-CZ 3.91Å; F128-F299 HydrophobicContact CE2-CZ 3.91Å; F128-F299 HydrophobicContact CZ-CZ 4.19Å
129	F	98.2	Very high	97.1	Very high	48 Å²	48	33.9 Å²	33.9	21%	0.211	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.8	-179.7	-88.4	-93.2	0	0	0	111.3	V46 L47 A48 N146 I236	V46-F129 PolarHBondContact O-N 3.07Å; L47-F129 CarbonylContact C-O 3.58Å; L47-F129 WeakPolarHBondContact CA-O 3.48Å; A48-F129 PolarHBondContact N-O 2.9Å; F129-N146 HydrophobicContact CD1-CB 3.78Å; F129-N146 HydrophobicContact CD2-CB 4.45Å; F129-N146 HydrophobicContact CE1-CB 3.81Å; F129-N146 HydrophobicContact CE2-CB 4.47Å; F129-N146 HydrophobicContact CG-CB 4.12Å; F129-N146 HydrophobicContact CZ-CB 4.17Å; F129-I236 HydrophobicContact CB-CG2 3.7Å; F129-I236 HydrophobicContact CD1-CD1 3.58Å; F129-I236 HydrophobicContact CD1-CG1 4.06Å; F129-I236 HydrophobicContact CE1-CD1 4.03Å; F129-I236 HydrophobicContact CE1-CG1 4.39Å; F129-I236 HydrophobicContact CG-CD1 4.14Å; F129-I236 HydrophobicContact CG-CG1 4.23Å; F129-I236 HydrophobicContact CG-CG2 4.05Å
130	I	98.4	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.1	169.7	-64.6	155.6	0	0	0	108.5	A48 T50 L114 F128 C144 N146 V147 L148	A48-I130 HydrophobicContact CB-CG1 4.16Å; A48-I130 CarbonylContact O-C 3.6Å; A48-I130 WeakPolarHBondContact O-CA 3.43Å; T50-I130 HydrophobicContact CG2-CG2 4.15Å; L114-I130 HydrophobicContact CB-CD1 4.15Å; F128-I130 HydrophobicContact CD1-CG1 4.45Å; F128-I130 HydrophobicContact CE1-CD1 4.39Å; F128-I130 HydrophobicContact CE1-CG1 3.96Å; I130-C144 HydrophobicContact CD1-CB 3.68Å; I130-C144 WeakPolarHBondContact CD1-SG 3.3Å; I130-N146 PolarHBondContact N-O 2.8Å; I130-V147 HydrophobicContact CB-CG2 4.4Å; I130-V147 HydrophobicContact CD1-CG2 4.39Å; I130-V147 HydrophobicContact CG2-CG1 4.39Å; I130-V147 CarbonylContact O-C 3.5Å; I130-V147 WeakPolarHBondContact O-CA 3.49Å; I130-L148 PolarHBondContact O-N 3.34Å
131	I	97.3	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.2	166.7	-58.5	178.6	0	0	0	107.6	L47 A48 F49 T50 L148 L150 A233 I236 V237	L47-I131 HydrophobicContact CD1-CB 4.24Å; L47-I131 HydrophobicContact CD1-CD1 3.69Å; L47-I131 HydrophobicContact CD1-CG1 3.66Å; L47-I131 HydrophobicContact CD2-CD1 4.43Å; A48-I131 PolarHBondContact O-N 2.87Å; F49-I131 CarbonylContact C-O 3.55Å; F49-I131 VanDerWaalsContact CA-O 3.3Å; F49-I131 WeakPolarHBondContact CA-O 3.26Å; F49-I131 HydrophobicContact CD1-CB 3.63Å; F49-I131 HydrophobicContact CD1-CG2 3.84Å; F49-I131 HydrophobicContact CE1-CB 3.56Å; F49-I131 HydrophobicContact CE1-CD1 3.68Å; F49-I131 HydrophobicContact CE1-CG1 4.17Å; F49-I131 HydrophobicContact CE1-CG2 3.59Å; F49-I131 HydrophobicContact CZ-CD1 3.96Å; T50-I131 PolarHBondContact N-O 2.96Å; I131-L148 WeakPolarHBondContact CA-O 2.98Å; I131-L148 HydrophobicContact CD1-CD2 4.34Å; I131-L148 HydrophobicContact CG1-CB 4.13Å; I131-L148 HydrophobicContact CG1-CD2 4.23Å; I131-L148 HydrophobicContact CG2-CD2 4.42Å; I131-L150 HydrophobicContact CG2-CD1 3.52Å; I131-L150 HydrophobicContact CG2-CD2 3.61Å; I131-L150 HydrophobicContact CG2-CG 3.41Å; I131-L150 VanDerWaalsContact CG2-CG 3.41Å; I131-A233 HydrophobicContact CD1-CB 4.12Å; I131-I236 HydrophobicContact CD1-CB 4.16Å; I131-I236 HydrophobicContact CD1-CD1 4.25Å; I131-I236 HydrophobicContact CD1-CG2 4.02Å; I131-I236 HydrophobicContact CG1-CD1 4.35Å; I131-V237 HydrophobicContact CD1-CG2 4.45Å
132	T	96.3	Very high	97.1	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.5	-174.5	-167.6	0	0	0	0	112.5	T50 N134 V147 L148 E149 L150	T50-T132 WeakPolarHBondContact OG1-CA 3.43Å; T50-T132 WeakPolarHBondContact OG1-CB 3.48Å; T50-T132 PolarHBondContact OG1-OG1 3.4Å; T132-N134 VanDerWaalsContact C-N 3.3Å; T132-N134 WeakPolarHBondContact OG1-CB 3.22Å; T132-N134 PolarHBondContact OG1-N 3.36Å; T132-N134 VanDerWaalsContact OG1-N 3.07Å; T132-V147 HydrophobicContact CG2-CG1 3.97Å; T132-L148 PolarHBondContact N-O 3.13Å; T132-E149 HydrophobicContact CG2-CB 4.42Å; T132-E149 HydrophobicContact CG2-CG 4.19Å; T132-L150 WeakPolarHBondContact O-CB 3.26Å; T132-L150 PolarHBondContact O-N 3.46Å
133	Q	94.2	Very high	97.1	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.051	22%	0.222	C	C	.	.			trans	-82.8	-11.8	166.1	-66.5	170.8	66.4	0	0	112.1	T50 H151 V255	T50-Q133 PolarHBondContact O-N 3.47Å; Q133-H151 PolarHBondContact O-ND1 3.48Å; Q133-V255 HydrophobicContact CG-CG2 3.82Å
134	N	94.9	Very high	97.2	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.059	19%	0.194	C	C	.	.			trans	-80	151.4	-175.5	-60.7	-8.2	0	0	0	110.1	G51 A52 I54 S55 T132	G51-N134 WeakPolarHBondContact CA-OD1 3.29Å; G51-N134 PolarHBondContact O-ND2 3.05Å; G51-N134 VanDerWaalsContact O-ND2 3.08Å; G51-N134 PolarHBondContact O-OD1 3.47Å; A52-N134 VanDerWaalsContact CA-OD1 3.3Å; A52-N134 WeakPolarHBondContact CA-OD1 3.31Å; A52-N134 PolarHBondContact N-OD1 2.86Å; I54-N134 WeakPolarHBondContact CG2-ND2 3.39Å; S55-N134 PolarHBondContact OG-ND2 3.36Å; S55-N134 VanDerWaalsContact OG-ND2 3.11Å; T132-N134 VanDerWaalsContact C-N 3.3Å; T132-N134 WeakPolarHBondContact OG1-CB 3.22Å; T132-N134 PolarHBondContact OG1-N 3.36Å; T132-N134 VanDerWaalsContact OG1-N 3.07Å
135	V	95.6	Very high	97.3	Very high	32 Å²	32	30.4 Å²	30.4	19%	0.194	20%	0.204	C	C	.	.			trans	-114.8	9.6	-179.9	-64	0	0	0	0	111.8	H151 L154 V218	V135-H151 HydrophobicContact CG1-CB 3.83Å; V135-H151 WeakPolarHBondContact CG1-O 3.42Å; V135-L154 HydrophobicContact CB-CG 4.07Å; V135-L154 HydrophobicContact CG2-CD1 4.03Å; V135-L154 HydrophobicContact CG2-CD2 4.09Å; V135-L154 HydrophobicContact CG2-CG 3.64Å; V135-L154 VanDerWaalsContact O-CB 3.32Å; V135-L154 WeakPolarHBondContact O-CB 3.39Å; V135-L154 VanDerWaalsContact O-CG 3.25Å; V135-L154 WeakPolarHBondContact O-CG 3.48Å; V135-L154 PolarHBondContact O-N 2.87Å; V135-V218 HydrophobicContact CB-CG2 4.35Å; V135-V218 HydrophobicContact CG1-CG1 3.96Å; V135-V218 HydrophobicContact CG1-CG2 4.23Å
136	D	96.8	Very high	97.3	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.064	18%	0.18	C	C	.	.	S	Bend	trans	-82	-17.4	-171.4	56.1	34.9	0	0	0	114.2	S55 V102 L138	S55-D136 WeakPolarHBondContact CB-OD2 3.36Å; S55-D136 PolarHBondContact OG-OD2 2.79Å; V102-D136 HydrophobicContact CG1-CB 3.78Å; V102-D136 VanDerWaalsContact CG1-O 3.29Å; V102-D136 WeakPolarHBondContact CG1-O 3.34Å; V102-D136 HydrophobicContact CG2-CB 4.19Å; D136-L138 HydrophobicContact CB-CG 4.13Å; D136-L138 PolarHBondContact O-N 2.98Å; D136-L138 WeakPolarHBondContact OD1-CB 3.42Å; D136-L138 PolarHBondContact OD1-N 2.68Å
137	G	96.7	Very high	97.4	Very high	12 Å²	12	29.2 Å²	29.2	12%	0.124	18%	0.183	C	C	.	.			trans	70.2	12.9	-176.9	0	0	0	0	0	114.5	H139 A140 K141	G137-H139 VanDerWaalsContact C-N 3.33Å; G137-H139 PolarHBondContact O-N 3.25Å; G137-A140 PolarHBondContact O-N 3.49Å; G137-K141 PolarHBondContact O-N 3.1Å
138	L	98	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-29	-175.9	-70.8	-177	0	0	0	113.4	V60 P107 D136 K141 A142	V60-L138 HydrophobicContact CG2-CD1 3.86Å; P107-L138 HydrophobicContact CG-CD2 4.47Å; P107-L138 WeakPolarHBondContact CG-O 3.39Å; D136-L138 HydrophobicContact CB-CG 4.13Å; D136-L138 PolarHBondContact O-N 2.98Å; D136-L138 WeakPolarHBondContact OD1-CB 3.42Å; D136-L138 PolarHBondContact OD1-N 2.68Å; L138-K141 HydrophobicContact CD2-CD 4.21Å; L138-K141 PolarHBondContact O-N 2.94Å; L138-A142 WeakPolarHBondContact O-CB 3.44Å; L138-A142 PolarHBondContact O-N 3.32Å
139	H	98.5	Very high	97.3	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-51	171.9	-73.9	-63.4	0	0	0	111.9	T50 H111 G137 K141 A142 G143 C144 V147	T50-H139 PolarHBondContact OG1-NE2 2.8Å; H111-H139 AromaticContact CD2-CE1 3.76Å; H111-H139 AromaticContact CD2-ND1 3.69Å; G137-H139 VanDerWaalsContact C-N 3.33Å; G137-H139 PolarHBondContact O-N 3.25Å; H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 3.09Å; H139-A142 WeakPolarHBondContact O-CB 3.13Å; H139-A142 PolarHBondContact O-N 3.27Å; H139-G143 PolarHBondContact O-N 2.85Å; H139-C144 HydrophobicContact CB-CB 4.22Å; H139-C144 WeakPolarHBondContact O-CB 3.27Å; H139-C144 PolarHBondContact O-N 2.96Å; H139-C144 VanDerWaalsContact O-N 3.07Å; H139-C144 PolarHBondContact O-SG 3.37Å; H139-C144 VanDerWaalsContact O-SG 3.41Å; H139-V147 HydrophobicContact CB-CG1 4.17Å; H139-V147 HydrophobicContact CB-CG2 3.92Å
140	A	97.2	Very high	97.1	Very high	61 Å²	61	27.4 Å²	27.4	50%	0.504	17%	0.172	S	C	.	.	H	α-helix	trans	-61.3	-39.9	175.8	0	0	0	0	0	111.3	G137 A142 G143	G137-A140 PolarHBondContact O-N 3.49Å; A140-A142 PolarHBondContact O-N 3.41Å; A140-G143 PolarHBondContact O-N 3.33Å; A140-G143 VanDerWaalsContact O-N 3.08Å
141	K	97.1	Very high	96.9	Very high	111 Å²	111	28.7 Å²	28.7	48%	0.483	18%	0.178	S	C	.	.	H	α-helix	trans	-64.9	-26	175.2	-170	173.4	179.1	178.7	0	113.1	R105 P107 G137 L138 H139 G143	R105-K141 PolarHBondContact O-NZ 3.49Å; P107-K141 HydrophobicContact CG-CB 3.94Å; P107-K141 HydrophobicContact CG-CD 4.37Å; P107-K141 HydrophobicContact CG-CG 3.9Å; G137-K141 PolarHBondContact O-N 3.1Å; L138-K141 HydrophobicContact CD2-CD 4.21Å; L138-K141 PolarHBondContact O-N 2.94Å; H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 3.09Å; K141-G143 VanDerWaalsContact C-N 3.28Å
142	A	98.3	Very high	96.8	Very high	16 Å²	16	29 Å²	29	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-78	-12.1	174.5	0	0	0	0	0	113.5	P107 H111 L112 A115 L138 H139 A140	P107-A142 HydrophobicContact CB-CB 3.7Å; P107-A142 HydrophobicContact CG-CB 3.91Å; H111-A142 HydrophobicContact CB-CB 3.77Å; L112-A142 HydrophobicContact CD2-CB 4.3Å; A115-A142 HydrophobicContact CB-CB 4.18Å; A115-A142 VanDerWaalsContact CB-O 3.28Å; A115-A142 WeakPolarHBondContact CB-O 3.39Å; L138-A142 WeakPolarHBondContact O-CB 3.44Å; L138-A142 PolarHBondContact O-N 3.32Å; H139-A142 WeakPolarHBondContact O-CB 3.13Å; H139-A142 PolarHBondContact O-N 3.27Å; A140-A142 PolarHBondContact O-N 3.41Å
143	G	98.1	Very high	96.9	Very high	51 Å²	51	29.5 Å²	29.5	53%	0.526	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	4.8	-176.6	0	0	0	0	0	114.4	H139 A140 K141	H139-G143 PolarHBondContact O-N 2.85Å; A140-G143 PolarHBondContact O-N 3.33Å; A140-G143 VanDerWaalsContact O-N 3.08Å; K141-G143 VanDerWaalsContact C-N 3.28Å
144	C	98.4	Very high	97	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.054	19%	0.185	C	C	.	.			trans	-67.8	136.2	175.1	-53.1	0	0	0	0	111	A115 E118 I130 H139 V147	A115-C144 VanDerWaalsContact CA-SG 3.58Å; E118-C144 WeakPolarHBondContact OE2-CA 3.45Å; E118-C144 VanDerWaalsContact OE2-CB 3.32Å; E118-C144 WeakPolarHBondContact OE2-CB 3.44Å; I130-C144 HydrophobicContact CD1-CB 3.68Å; I130-C144 WeakPolarHBondContact CD1-SG 3.3Å; H139-C144 HydrophobicContact CB-CB 4.22Å; H139-C144 WeakPolarHBondContact O-CB 3.27Å; H139-C144 PolarHBondContact O-N 2.96Å; H139-C144 VanDerWaalsContact O-N 3.07Å; H139-C144 PolarHBondContact O-SG 3.37Å; H139-C144 VanDerWaalsContact O-SG 3.41Å; C144-V147 HydrophobicContact CB-CG2 3.5Å; C144-V147 VanDerWaalsContact CB-CG2 3.5Å
145	V	97.9	Very high	97.1	Very high	119 Å²	119	29.9 Å²	29.9	72%	0.721	19%	0.185	S	C	*	.			trans	-105.8	-45.9	-176.3	179.9	0	0	0	0	111.1	E118 V147	E118-V145 WeakPolarHBondContact OE1-CB 3.46Å; E118-V145 PolarHBondContact OE1-N 3.23Å; E118-V145 PolarHBondContact OE2-N 2.87Å; V145-V147 VanDerWaalsContact C-N 3.26Å; V145-V147 PolarHBondContact O-N 3.12Å
146	N	97.8	Very high	97.2	Very high	49 Å²	49	31 Å²	31	26%	0.262	19%	0.188	S	C	.	.	S	Bend	trans	-85.5	60.5	-176.7	-66.7	-50.6	0	0	0	111.7	E118 F128 F129 I130	E118-N146 WeakPolarHBondContact OE1-CB 3.44Å; E118-N146 VanDerWaalsContact OE1-CG 3.28Å; E118-N146 PolarHBondContact OE1-N 3.29Å; E118-N146 PolarHBondContact OE1-ND2 3.08Å; F128-N146 VanDerWaalsContact O-CB 3.32Å; F128-N146 WeakPolarHBondContact O-CB 3.32Å; F129-N146 HydrophobicContact CD1-CB 3.78Å; F129-N146 HydrophobicContact CD2-CB 4.45Å; F129-N146 HydrophobicContact CE1-CB 3.81Å; F129-N146 HydrophobicContact CE2-CB 4.47Å; F129-N146 HydrophobicContact CG-CB 4.12Å; F129-N146 HydrophobicContact CZ-CB 4.17Å; I130-N146 PolarHBondContact N-O 2.8Å
147	V	98.2	Very high	97.3	Very high	33 Å²	33	30.8 Å²	30.8	20%	0.2	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.2	-178.7	-171.8	0	0	0	0	111.1	I130 T132 H139 C144 V145 E149	I130-V147 HydrophobicContact CB-CG2 4.4Å; I130-V147 HydrophobicContact CD1-CG2 4.39Å; I130-V147 HydrophobicContact CG2-CG1 4.39Å; I130-V147 CarbonylContact O-C 3.5Å; I130-V147 WeakPolarHBondContact O-CA 3.49Å; T132-V147 HydrophobicContact CG2-CG1 3.97Å; H139-V147 HydrophobicContact CB-CG1 4.17Å; H139-V147 HydrophobicContact CB-CG2 3.92Å; C144-V147 HydrophobicContact CB-CG2 3.5Å; C144-V147 VanDerWaalsContact CB-CG2 3.5Å; V145-V147 VanDerWaalsContact C-N 3.26Å; V145-V147 PolarHBondContact O-N 3.12Å; V147-E149 HydrophobicContact CG1-CG 4.2Å
148	L	97.7	Very high	97.4	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	109.9	168.6	-173.4	66.6	0	0	0	109.9	I130 I131 T132 L150 I229 K232 A233 I236	I130-L148 PolarHBondContact O-N 3.34Å; I131-L148 WeakPolarHBondContact CA-O 2.98Å; I131-L148 HydrophobicContact CD1-CD2 4.34Å; I131-L148 HydrophobicContact CG1-CB 4.13Å; I131-L148 HydrophobicContact CG1-CD2 4.23Å; I131-L148 HydrophobicContact CG2-CD2 4.42Å; T132-L148 PolarHBondContact N-O 3.13Å; L148-L150 HydrophobicContact CD2-CD2 4.22Å; L148-L150 HydrophobicContact CG-CD2 4.45Å; L148-L150 PolarHBondContact O-N 2.97Å; L148-I229 HydrophobicContact CD1-CD1 3.83Å; L148-I229 HydrophobicContact CD1-CG2 4.2Å; L148-I229 HydrophobicContact CD2-CG2 4.42Å; L148-I229 HydrophobicContact CG-CG2 4.29Å; L148-K232 HydrophobicContact CD1-CD 3.9Å; L148-K232 HydrophobicContact CD1-CG 4.25Å; L148-K232 HydrophobicContact CD2-CB 4.38Å; L148-K232 HydrophobicContact CD2-CG 4.24Å; L148-A233 HydrophobicContact CD2-CB 3.72Å; L148-I236 HydrophobicContact CD2-CD1 4.14Å
149	E	96.9	Very high	97.4	Very high	32 Å²	32	32.4 Å²	32.4	15%	0.15	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	96.6	179.9	-55.4	177.7	129.2	0	0	110.1	T132 V147 H151 G152 N153 K156	T132-E149 HydrophobicContact CG2-CB 4.42Å; T132-E149 HydrophobicContact CG2-CG 4.19Å; V147-E149 HydrophobicContact CG1-CG 4.2Å; E149-H151 VanDerWaalsContact C-N 3.32Å; E149-H151 PolarHBondContact O-N 2.54Å; E149-G152 WeakPolarHBondContact CB-O 3.46Å; E149-G152 PolarHBondContact O-N 2.91Å; E149-N153 PolarHBondContact OE1-ND2 3.01Å; E149-K156 IonicContact OE2-NZ 3.94Å; E149-K156 PolarHBondContact OE2-NZ 3.4Å
150	L	94.9	Very high	97.4	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-42.4	-174.8	-67.3	-179.7	0	0	0	112	I131 T132 L148 L225 I229 A233 V255	I131-L150 HydrophobicContact CG2-CD1 3.52Å; I131-L150 HydrophobicContact CG2-CD2 3.61Å; I131-L150 HydrophobicContact CG2-CG 3.41Å; I131-L150 VanDerWaalsContact CG2-CG 3.41Å; T132-L150 WeakPolarHBondContact O-CB 3.26Å; T132-L150 PolarHBondContact O-N 3.46Å; L148-L150 HydrophobicContact CD2-CD2 4.22Å; L148-L150 HydrophobicContact CG-CD2 4.45Å; L148-L150 PolarHBondContact O-N 2.97Å; L150-L225 HydrophobicContact CB-CD2 4.25Å; L150-L225 WeakPolarHBondContact O-CD2 3.4Å; L150-I229 HydrophobicContact CD2-CG2 3.8Å; L150-A233 HydrophobicContact CD2-CB 4.16Å; L150-V255 HydrophobicContact CD1-CG2 3.65Å
151	H	94.4	Very high	97.3	Very high	27 Å²	27	39.4 Å²	39.4	13%	0.125	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	17.8	-174.7	-57.6	142.8	0	0	0	113.5	Q133 V135 E149 V218 V219	Q133-H151 PolarHBondContact O-ND1 3.48Å; V135-H151 HydrophobicContact CG1-CB 3.83Å; V135-H151 WeakPolarHBondContact CG1-O 3.42Å; E149-H151 VanDerWaalsContact C-N 3.32Å; E149-H151 PolarHBondContact O-N 2.54Å; H151-V218 CarbonylContact O-C 3.5Å; H151-V218 WeakPolarHBondContact O-CA 3.38Å; H151-V218 WeakPolarHBondContact O-CG1 3.35Å; H151-V219 HydrophobicContact CB-CB 4.36Å; H151-V219 PolarHBondContact O-N 2.9Å
152	G	96.1	Very high	97.4	Very high	7 Å²	7	35.7 Å²	35.7	7%	0.072	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-152.8	-177.2	0	0	0	0	0	113.4	E149 H217	E149-G152 WeakPolarHBondContact CB-O 3.46Å; E149-G152 PolarHBondContact O-N 2.91Å; G152-H217 CarbonylContact C-O 3.56Å; G152-H217 WeakPolarHBondContact CA-O 3.23Å
153	N	97.2	Very high	97.3	Very high	14 Å²	14	39.8 Å²	39.8	8%	0.075	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	134.8	-172.1	-173	-55	0	0	0	111.7	E149 Y155 K156 H217	E149-N153 PolarHBondContact OE1-ND2 3.01Å; N153-Y155 PolarHBondContact O-N 3.48Å; N153-Y155 VanDerWaalsContact O-N 3.15Å; N153-Y155 WeakPolarHBondContact OD1-CA 3.28Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.41Å; N153-Y155 PolarHBondContact OD1-N 3.2Å; N153-K156 HydrophobicContact CB-CB 4.32Å; N153-K156 HydrophobicContact CB-CD 3.9Å; N153-K156 HydrophobicContact CB-CG 4.04Å; N153-K156 PolarHBondContact O-N 3.14Å; N153-H217 PolarHBondContact N-O 3.41Å
154	L	96.7	Very high	97.3	Very high	13 Å²	13	39 Å²	39	7%	0.068	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	-23.7	178.4	-74.3	172.7	0	0	0	113.8	Y95 C98 R99 V102 V135 V218	Y95-L154 HydrophobicContact CD1-CD2 3.51Å; Y95-L154 HydrophobicContact CE1-CD2 3.75Å; C98-L154 HydrophobicContact CB-CD1 4.31Å; C98-L154 HydrophobicContact CB-CD2 4.19Å; R99-L154 HydrophobicContact CG-CB 4.3Å; R99-L154 PolarHBondContact NH1-O 2.97Å; V102-L154 HydrophobicContact CB-CD1 4.49Å; V102-L154 HydrophobicContact CG2-CD1 3.91Å; V135-L154 HydrophobicContact CB-CG 4.07Å; V135-L154 HydrophobicContact CG2-CD1 4.03Å; V135-L154 HydrophobicContact CG2-CD2 4.09Å; V135-L154 HydrophobicContact CG2-CG 3.64Å; V135-L154 VanDerWaalsContact O-CB 3.32Å; V135-L154 WeakPolarHBondContact O-CB 3.39Å; V135-L154 VanDerWaalsContact O-CG 3.25Å; V135-L154 WeakPolarHBondContact O-CG 3.48Å; V135-L154 PolarHBondContact O-N 2.87Å; L154-V218 HydrophobicContact CD2-CG2 4.49Å
155	Y	97.2	Very high	97.2	Very high	17 Å²	17	41.9 Å²	41.9	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	17.1	176.9	-55.7	-76.7	0	0	0	113.2	R99 V102 R103 N153 V167 N168 F169	R99-Y155 HydrophobicContact CB-CE1 4.48Å; R99-Y155 PolarHBondContact O-OH 3.1Å; V102-Y155 HydrophobicContact CG1-CE2 4.11Å; R103-Y155 VanDerWaalsContact CA-OH 3.26Å; R103-Y155 WeakPolarHBondContact CA-OH 3.46Å; R103-Y155 PolarHBondContact N-OH 2.62Å; N153-Y155 PolarHBondContact O-N 3.48Å; N153-Y155 VanDerWaalsContact O-N 3.15Å; N153-Y155 WeakPolarHBondContact OD1-CA 3.28Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.41Å; N153-Y155 PolarHBondContact OD1-N 3.2Å; Y155-V167 CarbonylContact O-C 3.6Å; Y155-V167 VanDerWaalsContact O-CA 3.27Å; Y155-V167 WeakPolarHBondContact O-CA 3.32Å; Y155-N168 PolarHBondContact O-N 3.09Å; Y155-F169 VanDerWaalsContact CB-CE1 3.43Å; Y155-F169 AromaticContact CD1-CD1 3.34Å; Y155-F169 HydrophobicContact CD1-CD1 3.34Å; Y155-F169 AromaticContact CD1-CE1 3.61Å; Y155-F169 HydrophobicContact CD1-CE1 3.61Å; Y155-F169 HydrophobicContact CD1-CG 4.39Å; Y155-F169 HydrophobicContact CD2-CD1 4.38Å; Y155-F169 AromaticContact CD2-CE1 3.79Å; Y155-F169 HydrophobicContact CD2-CE1 3.79Å; Y155-F169 AromaticContact CE1-CD1 3.94Å; Y155-F169 HydrophobicContact CE1-CD1 3.94Å; Y155-F169 HydrophobicContact CE1-CE1 4.27Å; Y155-F169 HydrophobicContact CE2-CE1 4.42Å; Y155-F169 AromaticContact CG-CD1 3.59Å; Y155-F169 HydrophobicContact CG-CD1 3.59Å; Y155-F169 AromaticContact CG-CE1 3.32Å; Y155-F169 HydrophobicContact CG-CE1 3.32Å; Y155-F169 HydrophobicContact CG-CZ 4.29Å
156	K	98.2	Very high	97.2	Very high	56 Å²	56	41.4 Å²	41.4	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.2	167.1	-67.9	174.3	-171.9	158.6	0	110.5	E149 N153 I165 R166 V167 H217	E149-K156 IonicContact OE2-NZ 3.94Å; E149-K156 PolarHBondContact OE2-NZ 3.4Å; N153-K156 HydrophobicContact CB-CB 4.32Å; N153-K156 HydrophobicContact CB-CD 3.9Å; N153-K156 HydrophobicContact CB-CG 4.04Å; N153-K156 PolarHBondContact O-N 3.14Å; K156-I165 HydrophobicContact CB-CG2 4.42Å; K156-R166 CarbonylContact C-O 3.58Å; K156-R166 WeakPolarHBondContact CA-O 3.43Å; K156-V167 HydrophobicContact CG-CG2 4.11Å; K156-H217 HydrophobicContact CB-CB 3.69Å; K156-H217 WeakPolarHBondContact O-CB 3.36Å; K156-H217 PolarHBondContact O-N 3.11Å
157	T	98.5	Very high	97.2	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.6	174.6	57.3	0	0	0	0	110.3	W92 I165 R166 N168 I173 L214 R215	W92-T157 HydrophobicContact CH2-CG2 4.06Å; T157-I165 VanDerWaalsContact O-CA 3.25Å; T157-I165 WeakPolarHBondContact O-CA 3.45Å; T157-R166 PolarHBondContact N-O 2.88Å; T157-R166 PolarHBondContact O-N 3.33Å; T157-N168 HydrophobicContact CG2-CB 4.24Å; T157-I173 HydrophobicContact CG2-CD1 3.72Å; T157-L214 HydrophobicContact CG2-CD1 4.27Å; T157-R215 CarbonylContact C-O 3.55Å; T157-R215 WeakPolarHBondContact CA-O 3.46Å
158	R	98.2	Very high	97.2	Very high	47 Å²	47	42.9 Å²	42.9	18%	0.177	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.1	172.3	-178.2	-171.9	-70.3	-84.8	4.8	109.2	D164 I165 L214 R215 H217 E226	R158-D164 CarbonylContact C-O 3.59Å; R158-D164 WeakPolarHBondContact CA-O 3.35Å; R158-I165 HydrophobicContact CB-CG1 4.41Å; R158-I165 HydrophobicContact CG-CG1 4.28Å; R158-L214 WeakPolarHBondContact O-CA 3.48Å; R158-R215 HydrophobicContact CB-CG 4.19Å; R158-R215 PolarHBondContact N-O 3.33Å; R158-R215 WeakPolarHBondContact O-CG 3.35Å; R158-R215 PolarHBondContact O-N 3.11Å; R158-H217 HydrophobicContact CB-CB 4.18Å; R158-H217 PolarHBondContact NE-ND1 3.09Å; R158-H217 PolarHBondContact NH2-CE1 3.27Å; R158-H217 PolarHBondContact NH2-ND1 3.2Å; R158-E226 IonicContact CZ-OE1 3.51Å; R158-E226 IonicContact NH2-OE1 3.21Å; R158-E226 PolarHBondContact NH2-OE1 3.12Å; R158-E226 IonicContact NH2-OE2 3.38Å; R158-E226 PolarHBondContact NH2-OE2 3.23Å
159	C	98.4	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.7	170.9	-177.5	0	0	0	0	111.2	E161 C162 N163 D164 C201 C210 L214	C159-E161 VanDerWaalsContact C-N 3.3Å; C159-E161 PolarHBondContact O-N 3.2Å; C159-E161 PolarHBondContact SG-N 3.01Å; C159-E161 VanDerWaalsContact SG-N 3.37Å; C159-C162 PolarHBondContact SG-N 3.08Å; C159-N163 VanDerWaalsContact O-CA 3.26Å; C159-N163 WeakPolarHBondContact O-CA 3.3Å; C159-N163 PolarHBondContact O-N 2.98Å; C159-N163 VanDerWaalsContact O-N 3.12Å; C159-D164 HydrophobicContact CB-CB 4.36Å; C159-D164 PolarHBondContact N-O 3.13Å; C159-C201 HydrophobicContact CB-CB 3.85Å; C159-C201 WeakPolarHBondContact SG-CB 3.4Å; C159-C210 VanDerWaalsContact SG-SG 3.62Å; C159-L214 HydrophobicContact CB-CD2 3.86Å
160	L	97.2	Very high	97.1	Very high	75 Å²	75	51.1 Å²	51.1	39%	0.393	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.8	176.9	-68	-176	0	0	0	114.4	F84 L213 R215	F84-L160 HydrophobicContact CD1-CD1 4.39Å; F84-L160 HydrophobicContact CE1-CD1 3.69Å; L160-L213 HydrophobicContact CD1-CB 4.4Å; L160-L213 HydrophobicContact CD1-CD2 4.3Å; L160-L213 HydrophobicContact CD1-CG 4.43Å; L160-L213 PolarHBondContact N-O 3.11Å; L160-R215 VanDerWaalsContact CD2-CD 3.49Å; L160-R215 HydrophobicContact CD2-CG 3.82Å; L160-R215 HydrophobicContact CG-CG 4.34Å
161	E	97.1	Very high	97	Very high	136 Å²	136	57.5 Å²	57.5	64%	0.636	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-51.5	-178.1	-56.7	-61.5	157	0	0	111.7	C159 G212	C159-E161 VanDerWaalsContact C-N 3.3Å; C159-E161 PolarHBondContact O-N 3.2Å; C159-E161 PolarHBondContact SG-N 3.01Å; C159-E161 VanDerWaalsContact SG-N 3.37Å; E161-G212 VanDerWaalsContact CG-CA 3.45Å
162	C	97.3	Very high	97.1	Very high	32 Å²	32	57.7 Å²	57.7	22%	0.216	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	1.9	-174.1	71.1	0	0	0	0	115.2	C159 D164 C201 I205	C159-C162 PolarHBondContact SG-N 3.08Å; C162-D164 PolarHBondContact O-N 3.26Å; C162-D164 VanDerWaalsContact SG-CB 3.52Å; C162-C201 VanDerWaalsContact SG-SG 3.63Å; C162-I205 HydrophobicContact CB-CD1 3.28Å
163	N	96.9	Very high	97.1	Very high	102 Å²	102	58 Å²	58	55%	0.545	28%	0.284	S	S	.	.			trans	60.3	7.8	-178.4	-65.3	-62.2	0	0	0	116.3	C159 I165	C159-N163 VanDerWaalsContact O-CA 3.26Å; C159-N163 WeakPolarHBondContact O-CA 3.3Å; C159-N163 PolarHBondContact O-N 2.98Å; C159-N163 VanDerWaalsContact O-N 3.12Å; N163-I165 PolarHBondContact O-N 2.95Å
164	D	97.7	Very high	97.1	Very high	36 Å²	36	58.3 Å²	58.3	19%	0.193	29%	0.287	C	S	.	.			trans	-56.6	127.9	175.6	-177.2	53.2	0	0	0	110.9	R158 C159 C162 R166 N203	R158-D164 CarbonylContact C-O 3.59Å; R158-D164 WeakPolarHBondContact CA-O 3.35Å; C159-D164 HydrophobicContact CB-CB 4.36Å; C159-D164 PolarHBondContact N-O 3.13Å; C162-D164 PolarHBondContact O-N 3.26Å; C162-D164 VanDerWaalsContact SG-CB 3.52Å; D164-R166 IonicContact OD1-NE 3.64Å; D164-R166 WeakPolarHBondContact OD2-CD 3.07Å; D164-R166 WeakPolarHBondContact OD2-CG 3.24Å; D164-R166 IonicContact OD2-CZ 3.76Å; D164-R166 IonicContact OD2-NE 3.47Å; D164-R166 PolarHBondContact OD2-NE 3.08Å; D164-R166 IonicContact OD2-NH2 2.8Å; D164-N203 HydrophobicContact CB-CB 3.99Å; D164-N203 WeakPolarHBondContact OD2-CB 3.4Å
165	I	97.8	Very high	97.1	Very high	67 Å²	67	62 Å²	62	34%	0.344	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	178	-56.9	165.9	0	0	0	108	K156 T157 R158 N163 H217	K156-I165 HydrophobicContact CB-CG2 4.42Å; T157-I165 VanDerWaalsContact O-CA 3.25Å; T157-I165 WeakPolarHBondContact O-CA 3.45Å; R158-I165 HydrophobicContact CB-CG1 4.41Å; R158-I165 HydrophobicContact CG-CG1 4.28Å; N163-I165 PolarHBondContact O-N 2.95Å; I165-H217 HydrophobicContact CG2-CB 4.36Å
166	R	97.2	Very high	97.1	Very high	109 Å²	109	62.4 Å²	62.4	41%	0.411	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.9	178.6	-67.7	-171.4	-172.9	-166.7	-2.4	112.4	K156 T157 D164 N203	K156-R166 CarbonylContact C-O 3.58Å; K156-R166 WeakPolarHBondContact CA-O 3.43Å; T157-R166 PolarHBondContact N-O 2.88Å; T157-R166 PolarHBondContact O-N 3.33Å; D164-R166 IonicContact OD1-NE 3.64Å; D164-R166 WeakPolarHBondContact OD2-CD 3.07Å; D164-R166 WeakPolarHBondContact OD2-CG 3.24Å; D164-R166 IonicContact OD2-CZ 3.76Å; D164-R166 IonicContact OD2-NE 3.47Å; D164-R166 PolarHBondContact OD2-NE 3.08Å; D164-R166 IonicContact OD2-NH2 2.8Å; R166-N203 PolarHBondContact NH2-OD1 2.94Å
167	V	97.6	Very high	97	Very high	89 Å²	89	59.7 Å²	59.7	54%	0.539	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.7	165.1	178.4	0	0	0	0	108.7	Y155 K156 F169	Y155-V167 CarbonylContact O-C 3.6Å; Y155-V167 VanDerWaalsContact O-CA 3.27Å; Y155-V167 WeakPolarHBondContact O-CA 3.32Å; K156-V167 HydrophobicContact CG-CG2 4.11Å; V167-F169 HydrophobicContact CG1-CD2 3.55Å; V167-F169 HydrophobicContact CG1-CE2 3.16Å; V167-F169 HydrophobicContact CG1-CZ 3.9Å
168	N	97.5	Very high	96.9	Very high	25 Å²	25	65.4 Å²	65.4	13%	0.134	34%	0.344	C	S	.	.			trans	-139.3	114.1	176.6	-176.6	-63.5	0	0	0	110.1	R99 Y155 T157 D170 I173	R99-N168 PolarHBondContact NH1-O 2.85Å; R99-N168 PolarHBondContact NH2-O 3.34Å; R99-N168 PolarHBondContact NH2-OD1 3.05Å; R99-N168 VanDerWaalsContact NH2-OD1 3.09Å; Y155-N168 PolarHBondContact O-N 3.09Å; T157-N168 HydrophobicContact CG2-CB 4.24Å; N168-D170 PolarHBondContact ND2-OD2 2.93Å; N168-D170 WeakPolarHBondContact OD1-CB 3.38Å; N168-D170 PolarHBondContact OD1-N 3.2Å; N168-I173 HydrophobicContact CB-CD1 4.34Å
169	F	96.2	Very high	96.6	Very high	120 Å²	120	66.4 Å²	66.4	53%	0.526	37%	0.369	S	S	.	.			trans	-108.1	15.1	174.6	-67.9	-72.8	0	0	0	112.9	R103 Y155 V167	R103-F169 VanDerWaalsContact CZ-O 3.28Å; R103-F169 PolarHBondContact NH1-O 2.93Å; R103-F169 PolarHBondContact NH2-O 3.36Å; Y155-F169 VanDerWaalsContact CB-CE1 3.43Å; Y155-F169 AromaticContact CD1-CD1 3.34Å; Y155-F169 HydrophobicContact CD1-CD1 3.34Å; Y155-F169 AromaticContact CD1-CE1 3.61Å; Y155-F169 HydrophobicContact CD1-CE1 3.61Å; Y155-F169 HydrophobicContact CD1-CG 4.39Å; Y155-F169 HydrophobicContact CD2-CD1 4.38Å; Y155-F169 AromaticContact CD2-CE1 3.79Å; Y155-F169 HydrophobicContact CD2-CE1 3.79Å; Y155-F169 AromaticContact CE1-CD1 3.94Å; Y155-F169 HydrophobicContact CE1-CD1 3.94Å; Y155-F169 HydrophobicContact CE1-CE1 4.27Å; Y155-F169 HydrophobicContact CE2-CE1 4.42Å; Y155-F169 AromaticContact CG-CD1 3.59Å; Y155-F169 HydrophobicContact CG-CD1 3.59Å; Y155-F169 AromaticContact CG-CE1 3.32Å; Y155-F169 HydrophobicContact CG-CE1 3.32Å; Y155-F169 HydrophobicContact CG-CZ 4.29Å; V167-F169 HydrophobicContact CG1-CD2 3.55Å; V167-F169 HydrophobicContact CG1-CE2 3.16Å; V167-F169 HydrophobicContact CG1-CZ 3.9Å
170	D	96.7	Very high	96.3	Very high	91 Å²	91	69.9 Å²	69.9	49%	0.487	38%	0.382	S	S	.	.			trans	-62.8	147	179.8	-60.1	-27	0	0	0	111	R99 R103 N168 P172	R99-D170 PolarHBondContact NH2-O 2.96Å; R103-D170 PolarHBondContact NH2-O 2.87Å; N168-D170 PolarHBondContact ND2-OD2 2.93Å; N168-D170 WeakPolarHBondContact OD1-CB 3.38Å; N168-D170 PolarHBondContact OD1-N 3.2Å; D170-P172 CarbonylContact C-O 3.27Å
171	K	93.6	Very high	96	Very high	137 Å²	137	66.4 Å²	66.4	60%	0.596	37%	0.365	S	S	*	.	S	Bend	trans	-137.7	108.1	-179	172.5	167.6	170.7	153.3	0	109.9	E100	E100-K171 WeakPolarHBondContact OE1-CG 3.49Å; E100-K171 VanDerWaalsContact OE2-CD 3.26Å; E100-K171 WeakPolarHBondContact OE2-CD 3.3Å; E100-K171 WeakPolarHBondContact OE2-CE 3.42Å; E100-K171 IonicContact OE2-NZ 3.9Å; E100-K171 PolarHBondContact OE2-NZ 3.09Å
172	P	95.4	Very high	95.7	Very high	31 Å²	31	61.5 Å²	61.5	20%	0.201	35%	0.345	C	S	.	.	S	Bend	cis	-65.3	166.8	-13.7	33.4	-38.3	0	0	0	111.2	D170 C174 L177 L178	D170-P172 CarbonylContact C-O 3.27Å; P172-C174 WeakPolarHBondContact CB-O 3.45Å; P172-C174 VanDerWaalsContact CG-O 3.22Å; P172-C174 WeakPolarHBondContact CG-O 3.48Å; P172-C174 PolarHBondContact O-N 2.83Å; P172-L177 HydrophobicContact CB-CB 4.26Å; P172-L178 HydrophobicContact CG-CB 4.03Å; P172-L178 HydrophobicContact CG-CD1 4.25Å
173	I	96.6	Very high	95.3	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.067	35%	0.349	C	S	.	.	S	Bend	trans	-67.4	-24.4	177.3	-174.2	160.7	0	0	0	113.2	W92 T157 N168 L177 P199	W92-I173 HydrophobicContact CE3-CG2 4.46Å; W92-I173 HydrophobicContact CH2-CD1 3.92Å; W92-I173 HydrophobicContact CZ3-CD1 3.88Å; W92-I173 HydrophobicContact CZ3-CG2 4.36Å; T157-I173 HydrophobicContact CG2-CD1 3.72Å; N168-I173 HydrophobicContact CB-CD1 4.34Å; I173-L177 HydrophobicContact CG2-CD1 3.4Å; I173-P199 HydrophobicContact CD1-CG 4.45Å; I173-P199 HydrophobicContact CG1-CB 4.27Å; I173-P199 HydrophobicContact CG1-CG 4.08Å; I173-P199 HydrophobicContact CG2-CG 3.76Å
174	C	97.1	Very high	94.8	Very high	22 Å²	22	63.1 Å²	63.1	15%	0.149	35%	0.353	C	S	.	.	S	Bend	trans	-149.6	158	164.5	71.1	0	0	0	0	109.7	P172 A176 L177 Q197 P199	P172-C174 WeakPolarHBondContact CB-O 3.45Å; P172-C174 VanDerWaalsContact CG-O 3.22Å; P172-C174 WeakPolarHBondContact CG-O 3.48Å; P172-C174 PolarHBondContact O-N 2.83Å; C174-A176 PolarHBondContact O-N 2.74Å; C174-L177 PolarHBondContact O-N 3.15Å; C174-L177 VanDerWaalsContact O-N 3.11Å; C174-Q197 PolarHBondContact SG-O 2.84Å; C174-P199 HydrophobicContact CB-CG 4.2Å
175	A	97.2	Very high	94.1	Very high	90 Å²	90	65.9 Å²	65.9	74%	0.744	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-56.8	-35.7	-175.8	0	0	0	0	0	113.5	L177 L178	A175-L177 PolarHBondContact O-N 2.9Å; A175-L178 VanDerWaalsContact O-CB 3.26Å; A175-L178 WeakPolarHBondContact O-CB 3.43Å; A175-L178 PolarHBondContact O-N 3.1Å; A175-L178 VanDerWaalsContact O-N 3.09Å
176	A	97	Very high	93.3	Very high	25 Å²	25	66.5 Å²	66.5	21%	0.207	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-68.4	-17.7	-177.8	0	0	0	0	0	114.4	C174 R180 I193 Q197	C174-A176 PolarHBondContact O-N 2.74Å; A176-R180 WeakPolarHBondContact O-CG 3.46Å; A176-I193 HydrophobicContact CB-CG2 3.73Å; A176-Q197 HydrophobicContact CB-CB 3.81Å; A176-Q197 WeakPolarHBondContact CB-O 3.45Å
177	L	96.7	Very high	92.4	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-88.7	-5.1	175.3	-74.7	165.5	0	0	0	113	W92 E93 H96 P172 I173 C174 A175 G179 R180 I193 P199	W92-L177 HydrophobicContact CB-CD1 4.28Å; W92-L177 HydrophobicContact CB-CD2 4.36Å; E93-L177 HydrophobicContact CG-CD2 3.99Å; H96-L177 HydrophobicContact CB-CD1 4.27Å; H96-L177 HydrophobicContact CB-CD2 4.16Å; H96-L177 PolarHBondContact CD2-O 3.39Å; H96-L177 VanDerWaalsContact CD2-O 3.27Å; H96-L177 PolarHBondContact NE2-O 3.4Å; P172-L177 HydrophobicContact CB-CB 4.26Å; I173-L177 HydrophobicContact CG2-CD1 3.4Å; C174-L177 PolarHBondContact O-N 3.15Å; C174-L177 VanDerWaalsContact O-N 3.11Å; A175-L177 PolarHBondContact O-N 2.9Å; L177-G179 PolarHBondContact O-N 3.48Å; L177-R180 HydrophobicContact CD2-CB 4.22Å; L177-R180 WeakPolarHBondContact O-CB 3.32Å; L177-R180 PolarHBondContact O-N 3.5Å; L177-I193 HydrophobicContact CD2-CD1 3.72Å; L177-I193 HydrophobicContact CG-CD1 4.3Å; L177-P199 HydrophobicContact CD1-CG 4.23Å
178	L	94.8	Very high	91.4	Very high	126 Å²	126	71.9 Å²	71.9	66%	0.66	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125.4	175.3	-174.5	62.8	0	0	0	110.4	P172 A175 R180	P172-L178 HydrophobicContact CG-CB 4.03Å; P172-L178 HydrophobicContact CG-CD1 4.25Å; A175-L178 VanDerWaalsContact O-CB 3.26Å; A175-L178 WeakPolarHBondContact O-CB 3.43Å; A175-L178 PolarHBondContact O-N 3.1Å; A175-L178 VanDerWaalsContact O-N 3.09Å; L178-R180 PolarHBondContact O-N 3.38Å
179	G	91.7	Very high	90.4	Very high	69 Å²	69	76 Å²	76	71%	0.711	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	7.5	-178.6	0	0	0	0	0	114.7	L177	L177-G179 PolarHBondContact O-N 3.48Å
180	R	93.1	Very high	89.6	Confident	72 Å²	72	72.3 Å²	72.3	27%	0.272	42%	0.417	S	S	.	.			trans	-93.8	173.7	174.3	-55.1	-61	-163.2	178.8	9.8	111.2	E93 H96 A176 L177 L178 C190 K191 I193	E93-R180 HydrophobicContact CG-CB 4Å; E93-R180 WeakPolarHBondContact OE1-CD 3.41Å; H96-R180 PolarHBondContact CD2-O 3.09Å; A176-R180 WeakPolarHBondContact O-CG 3.46Å; L177-R180 HydrophobicContact CD2-CB 4.22Å; L177-R180 WeakPolarHBondContact O-CB 3.32Å; L177-R180 PolarHBondContact O-N 3.5Å; L178-R180 PolarHBondContact O-N 3.38Å; R180-C190 PolarHBondContact NH1-SG 2.82Å; R180-K191 PolarHBondContact NH2-O 2.76Å; R180-I193 HydrophobicContact CG-CD1 4.15Å
181	G	91.6	Very high	89.2	Confident	2 Å²	2	76.4 Å²	76.4	2%	0.021	43%	0.431	C	S	.	.			trans	91.3	3.5	172.1	0	0	0	0	0	115.5	W70 E93 Y97	W70-G181 PolarHBondContact NE1-O 3.39Å; E93-G181 WeakPolarHBondContact O-CA 3.34Å; Y97-G181 VanDerWaalsContact CB-O 3.22Å; Y97-G181 WeakPolarHBondContact CB-O 3.41Å; Y97-G181 WeakPolarHBondContact CD2-O 3.21Å
182	S	90.9	Very high	89.1	Confident	33 Å²	33	75.1 Å²	75.1	23%	0.231	44%	0.437	C	S	.	.			trans	-50.2	128.6	177	-177.5	0	0	0	0	111.2	R71 I184	R71-S182 PolarHBondContact NE-O 2.99Å; R71-S182 VanDerWaalsContact NE-O 3.12Å; S182-I184 PolarHBondContact O-N 2.95Å; S182-I184 PolarHBondContact OG-N 3.41Å
183	P	88.4	Confident	89.1	Confident	46 Å²	46	74.2 Å²	74.2	30%	0.299	43%	0.43	S	S	.	.	S	Bend	trans	-74.4	-14.9	177.2	32.9	-35.8	0	0	0	111.8	R71 Y97	R71-P183 VanDerWaalsContact CA-O 3.3Å; R71-P183 WeakPolarHBondContact CA-O 3.34Å; R71-P183 PolarHBondContact N-O 3.23Å; Y97-P183 HydrophobicContact CD2-CB 4.44Å; Y97-P183 HydrophobicContact CD2-CG 4.3Å; Y97-P183 HydrophobicContact CE1-CB 4.37Å; Y97-P183 HydrophobicContact CE2-CB 3.87Å; Y97-P183 HydrophobicContact CE2-CG 3.58Å
184	I	86.3	Confident	89	Confident	123 Å²	123	76.6 Å²	76.6	63%	0.631	45%	0.446	S	S	*	.	S	Bend	trans	-81.3	138.7	178.7	-57.7	173.3	0	0	0	108.4	S182 E186	S182-I184 PolarHBondContact O-N 2.95Å; S182-I184 PolarHBondContact OG-N 3.41Å; I184-E186 PolarHBondContact O-N 3.46Å
185	I	82.5	Confident	88.9	Confident	94 Å²	94	80.1 Å²	80.1	48%	0.482	46%	0.463	S	S	.	.			trans	-72.8	110.4	172.1	-58.4	156	0	0	0	107.2	R71 N72	R71-I185 HydrophobicContact CB-CG1 4.06Å; N72-I185 VanDerWaalsContact CG-CD1 3.48Å; N72-I185 WeakPolarHBondContact ND2-CD1 3.25Å; N72-I185 WeakPolarHBondContact OD1-CD1 3.32Å
186	E	80.8	Confident	88.8	Confident	80 Å²	80	80.2 Å²	80.2	37%	0.374	46%	0.458	S	S	.	.			trans	-76.2	140.5	176.4	-67.6	172.4	-176.5	0	0	110.2	I184 I188 C190	I184-E186 PolarHBondContact O-N 3.46Å; E186-I188 PolarHBondContact O-N 2.88Å; E186-C190 PolarHBondContact OE2-SG 3.26Å; E186-C190 VanDerWaalsContact OE2-SG 3.37Å
187	N	78	Confident	88.9	Confident	169 Å²	169	84.1 Å²	84.1	90%	0.904	47%	0.472	S	S	*	.	S	Bend	trans	-60.1	-28.5	177.3	-69.1	-19.5	0	0	0	112.5
188	I	77.4	Confident	88.9	Confident	142 Å²	142	84.2 Å²	84.2	73%	0.728	47%	0.473	S	S	*	.	S	Bend	trans	-116.3	106.2	177.2	-59.2	172.8	0	0	0	107.4	E186 C190	E186-I188 PolarHBondContact O-N 2.88Å; I188-C190 PolarHBondContact O-N 3.26Å
189	P	77.2	Confident	89.1	Confident	111 Å²	111	78.3 Å²	78.3	72%	0.721	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-60.8	132.3	179.7	-24.5	33.8	0	0	0	112	K191	P189-K191 PolarHBondContact O-N 2.94Å
190	C	78.5	Confident	89.4	Confident	42 Å²	42	78.8 Å²	78.8	28%	0.284	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-52.5	132.7	166.9	-79.1	0	0	0	0	111.2	R180 E186 I188	R180-C190 PolarHBondContact NH1-SG 2.82Å; E186-C190 PolarHBondContact OE2-SG 3.26Å; E186-C190 VanDerWaalsContact OE2-SG 3.37Å; I188-C190 PolarHBondContact O-N 3.26Å
191	K	88.3	Confident	89.6	Confident	177 Å²	177	75.4 Å²	75.4	77%	0.77	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-56.8	136.9	172.1	-71.6	-175.7	175.3	178.6	0	110.2	R180 P189 I193	R180-K191 PolarHBondContact NH2-O 2.76Å; P189-K191 PolarHBondContact O-N 2.94Å; K191-I193 PolarHBondContact O-N 2.96Å
192	P	91.1	Very high	89.8	Confident	110 Å²	110	81 Å²	81	71%	0.714	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-54.4	138	177	-25.9	34	0	0	0	112.3	P194	P192-P194 WeakPolarHBondContact O-CD 3.36Å
193	I	94.8	Very high	90.1	Very high	13 Å²	13	81.3 Å²	81.3	7%	0.067	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-77.1	124	178.1	-59.1	166.4	0	0	0	109.1	E93 A176 L177 R180 K191 Q197 L198	E93-I193 HydrophobicContact CG-CD1 4.2Å; A176-I193 HydrophobicContact CB-CG2 3.73Å; L177-I193 HydrophobicContact CD2-CD1 3.72Å; L177-I193 HydrophobicContact CG-CD1 4.3Å; R180-I193 HydrophobicContact CG-CD1 4.15Å; K191-I193 PolarHBondContact O-N 2.96Å; I193-Q197 HydrophobicContact CG2-CB 3.97Å; I193-L198 HydrophobicContact CB-CD2 3.98Å; I193-L198 HydrophobicContact CD1-CD2 4.31Å; I193-L198 HydrophobicContact CG2-CD2 3.61Å; I193-L198 HydrophobicContact CG2-CG 4.03Å
194	P	94.8	Very high	90.5	Very high	62 Å²	62	87 Å²	87	40%	0.403	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-58.7	144.1	175.1	-23.5	33.5	0	0	0	112.4	P192 S196 Q197 L198	P192-P194 WeakPolarHBondContact O-CD 3.36Å; P194-S196 PolarHBondContact O-N 2.91Å; P194-S196 VanDerWaalsContact O-N 3.09Å; P194-Q197 HydrophobicContact CB-CG 4.35Å; P194-Q197 HydrophobicContact CG-CG 4.48Å; P194-Q197 PolarHBondContact O-N 3.37Å; P194-L198 PolarHBondContact O-N 3.38Å
195	L	95.6	Very high	90.9	Very high	97 Å²	97	84.6 Å²	84.6	51%	0.508	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.4	-179.7	-64.4	-178.2	0	0	0	114	P88 Q197 L198 R200	P88-L195 HydrophobicContact CB-CD2 4.32Å; P88-L195 HydrophobicContact CG-CD2 3.14Å; L195-Q197 PolarHBondContact O-N 3.36Å; L195-L198 HydrophobicContact CD2-CD1 4Å; L195-L198 PolarHBondContact O-N 3.38Å; L195-R200 PolarHBondContact O-NH1 2.8Å
196	S	95.9	Very high	91.4	Very high	92 Å²	92	87 Å²	87	64%	0.643	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.3	178.2	53.6	0	0	0	0	113.4	P194	P194-S196 PolarHBondContact O-N 2.91Å; P194-S196 VanDerWaalsContact O-N 3.09Å
197	Q	97.3	Very high	91.9	Very high	106 Å²	106	90 Å²	90	50%	0.495	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-9.8	-179.2	-61.9	-175.5	-1.4	0	0	113.4	C174 A176 I193 P194 L195	C174-Q197 PolarHBondContact SG-O 2.84Å; A176-Q197 HydrophobicContact CB-CB 3.81Å; A176-Q197 WeakPolarHBondContact CB-O 3.45Å; I193-Q197 HydrophobicContact CG2-CB 3.97Å; P194-Q197 HydrophobicContact CB-CG 4.35Å; P194-Q197 HydrophobicContact CG-CG 4.48Å; P194-Q197 PolarHBondContact O-N 3.37Å; L195-Q197 PolarHBondContact O-N 3.36Å
198	L	98.2	Very high	92.8	Very high	2 Å²	2	87.5 Å²	87.5	1%	0.01	46%	0.457	C	S	.	.	S	Bend	trans	-71.1	164.4	171.8	-66.4	176.5	0	0	0	111.3	P88 W92 I193 P194 L195 R200 L213	P88-L198 HydrophobicContact CB-CD1 3.98Å; P88-L198 HydrophobicContact CG-CD1 4.06Å; W92-L198 HydrophobicContact CB-CD2 4.04Å; W92-L198 HydrophobicContact CG-CD2 4.3Å; I193-L198 HydrophobicContact CB-CD2 3.98Å; I193-L198 HydrophobicContact CD1-CD2 4.31Å; I193-L198 HydrophobicContact CG2-CD2 3.61Å; I193-L198 HydrophobicContact CG2-CG 4.03Å; P194-L198 PolarHBondContact O-N 3.38Å; L195-L198 HydrophobicContact CD2-CD1 4Å; L195-L198 PolarHBondContact O-N 3.38Å; L198-R200 WeakPolarHBondContact O-CD 3.49Å; L198-R200 WeakPolarHBondContact O-CG 3.49Å; L198-R200 PolarHBondContact O-N 3.01Å; L198-L213 HydrophobicContact CB-CD1 3.74Å; L198-L213 HydrophobicContact CD1-CD1 4.28Å
199	P	98.4	Very high	93.6	Very high	3 Å²	3	84.8 Å²	84.8	2%	0.019	44%	0.443	C	S	.	.			trans	-53.1	126.8	-178.2	-29.6	38.8	0	0	0	112.9	W92 I173 C174 L177 L214	W92-P199 HydrophobicContact CD2-CG 3.92Å; W92-P199 HydrophobicContact CE3-CG 4.14Å; W92-P199 HydrophobicContact CG-CG 4.5Å; W92-P199 HydrophobicContact CH2-CB 4.32Å; W92-P199 HydrophobicContact CH2-CG 4.16Å; W92-P199 HydrophobicContact CZ2-CB 3.94Å; W92-P199 HydrophobicContact CZ2-CG 3.92Å; W92-P199 HydrophobicContact CZ3-CG 4.27Å; I173-P199 HydrophobicContact CD1-CG 4.45Å; I173-P199 HydrophobicContact CG1-CB 4.27Å; I173-P199 HydrophobicContact CG1-CG 4.08Å; I173-P199 HydrophobicContact CG2-CG 3.76Å; C174-P199 HydrophobicContact CB-CG 4.2Å; L177-P199 HydrophobicContact CD1-CG 4.23Å; P199-L214 HydrophobicContact CB-CB 4.06Å; P199-L214 HydrophobicContact CB-CD1 4.04Å; P199-L214 HydrophobicContact CB-CG 4.47Å; P199-L214 WeakPolarHBondContact O-CB 3.42Å; P199-L214 PolarHBondContact O-N 2.88Å
200	R	98.2	Very high	94.6	Very high	79 Å²	79	81.2 Å²	81.2	30%	0.298	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-118.3	143.7	-175.1	-51.8	-54.3	-66.8	-166.4	0	111.8	L195 L198 Q202 G211 G212	L195-R200 PolarHBondContact O-NH1 2.8Å; L198-R200 WeakPolarHBondContact O-CD 3.49Å; L198-R200 WeakPolarHBondContact O-CG 3.49Å; L198-R200 PolarHBondContact O-N 3.01Å; R200-Q202 PolarHBondContact O-N 3.35Å; R200-Q202 PolarHBondContact O-NE2 3.38Å; R200-G211 PolarHBondContact NE-O 2.67Å; R200-G211 PolarHBondContact NH2-O 3.06Å; R200-G212 CarbonylContact C-O 3.56Å; R200-G212 WeakPolarHBondContact CA-O 3.42Å
201	C	98.1	Very high	95.5	Very high	1 Å²	1	80.4 Å²	80.4	1%	0.007	42%	0.419	C	S	.	.			trans	-65.5	129.2	-179.3	-175.8	0	0	0	0	112	C159 C162 N203 I209 C210 G211 G212 L214	C159-C201 HydrophobicContact CB-CB 3.85Å; C159-C201 WeakPolarHBondContact SG-CB 3.4Å; C162-C201 VanDerWaalsContact SG-SG 3.63Å; C201-N203 WeakPolarHBondContact SG-CB 3.27Å; C201-N203 PolarHBondContact SG-N 3.47Å; C201-I209 WeakPolarHBondContact O-CG2 3.49Å; C201-C210 HydrophobicContact CB-CB 4.29Å; C201-G211 WeakPolarHBondContact O-CA 3.18Å; C201-G211 PolarHBondContact O-N 2.85Å; C201-G212 WeakPolarHBondContact CB-O 3.33Å; C201-G212 PolarHBondContact N-O 2.91Å; C201-L214 HydrophobicContact CB-CD2 3.78Å; C201-L214 HydrophobicContact CB-CG 4.47Å
202	Q	95.9	Very high	95.9	Very high	120 Å²	120	72.1 Å²	72.1	56%	0.561	38%	0.383	S	S	*	.			trans	-100.5	8.8	176.3	-57.2	-56.1	-44.2	0	0	112.7	R200	R200-Q202 PolarHBondContact O-N 3.35Å; R200-Q202 PolarHBondContact O-NE2 3.38Å
203	N	96.7	Very high	96.3	Very high	39 Å²	39	67.8 Å²	67.8	21%	0.209	35%	0.354	C	S	.	.			trans	-66.6	139.6	176.9	-165.9	29.3	0	0	0	110.8	D164 R166 C201 C210	D164-N203 HydrophobicContact CB-CB 3.99Å; D164-N203 WeakPolarHBondContact OD2-CB 3.4Å; R166-N203 PolarHBondContact NH2-OD1 2.94Å; C201-N203 WeakPolarHBondContact SG-CB 3.27Å; C201-N203 PolarHBondContact SG-N 3.47Å; N203-C210 WeakPolarHBondContact O-CB 3.33Å; N203-C210 PolarHBondContact O-N 3Å
204	R	96.4	Very high	96.5	Very high	164 Å²	164	67.9 Å²	67.9	62%	0.619	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.9	177.2	-72.4	-175.6	177.3	-96.5	3	109.8	N207 N208	R204-N207 PolarHBondContact NH1-O 3.4Å; R204-N208 CarbonylContact C-O 3.59Å; R204-N208 VanDerWaalsContact CA-O 3.29Å; R204-N208 WeakPolarHBondContact CA-O 3.21Å
205	I	94.3	Very high	96.6	Very high	73 Å²	73	66 Å²	66	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119	176.9	-55.4	171.3	0	0	0	106.3	C162 N207 N208 C210	C162-I205 HydrophobicContact CB-CD1 3.28Å; I205-N207 VanDerWaalsContact C-N 3.32Å; I205-N207 PolarHBondContact O-N 3.09Å; I205-N208 PolarHBondContact N-O 2.93Å; I205-N208 PolarHBondContact O-N 2.92Å; I205-N208 VanDerWaalsContact O-N 3.07Å; I205-C210 HydrophobicContact CD1-CB 4.1Å
206	N	93	Very high	96.8	Very high	146 Å²	146	61.4 Å²	61.4	78%	0.781	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	49.5	-176.3	-55.9	-30.3	0	0	0	112.6	N208	N206-N208 PolarHBondContact O-N 3Å; N206-N208 PolarHBondContact O-ND2 2.7Å
207	N	92.3	Very high	96.9	Very high	143 Å²	143	58.1 Å²	58.1	77%	0.765	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-4.4	-176.3	-65.8	-21.8	0	0	0	117.1	R204 I205	R204-N207 PolarHBondContact NH1-O 3.4Å; I205-N207 VanDerWaalsContact C-N 3.32Å; I205-N207 PolarHBondContact O-N 3.09Å
208	N	95.2	Very high	96.8	Very high	116 Å²	116	53.7 Å²	53.7	62%	0.62	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.1	176.6	-65.9	-51.1	0	0	0	111.5	R204 I205 N206 C210	R204-N208 CarbonylContact C-O 3.59Å; R204-N208 VanDerWaalsContact CA-O 3.29Å; R204-N208 WeakPolarHBondContact CA-O 3.21Å; I205-N208 PolarHBondContact N-O 2.93Å; I205-N208 PolarHBondContact O-N 2.92Å; I205-N208 VanDerWaalsContact O-N 3.07Å; N206-N208 PolarHBondContact O-N 3Å; N206-N208 PolarHBondContact O-ND2 2.7Å; N208-C210 PolarHBondContact O-N 3.33Å
209	I	96.2	Very high	96.6	Very high	84 Å²	84	55.1 Å²	55.1	43%	0.431	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.9	170.8	-63.1	174.9	0	0	0	107.4	C201 G211	C201-I209 WeakPolarHBondContact O-CG2 3.49Å; I209-G211 VanDerWaalsContact C-N 3.26Å; I209-G211 PolarHBondContact O-N 3.48Å
210	C	97.6	Very high	96.4	Very high	37 Å²	37	55.2 Å²	55.2	25%	0.25	28%	0.279	C	S	.	.			trans	-54.6	-45.4	178	169.7	0	0	0	0	111.1	C159 C201 N203 I205 N208 G212	C159-C210 VanDerWaalsContact SG-SG 3.62Å; C201-C210 HydrophobicContact CB-CB 4.29Å; N203-C210 WeakPolarHBondContact O-CB 3.33Å; N203-C210 PolarHBondContact O-N 3Å; I205-C210 HydrophobicContact CD1-CB 4.1Å; N208-C210 PolarHBondContact O-N 3.33Å; C210-G212 PolarHBondContact O-N 3.35Å
211	G	97	Very high	96	Very high	25 Å²	25	55.6 Å²	55.6	26%	0.258	28%	0.283	S	S	.	.			trans	66.5	3.1	174.7	0	0	0	0	0	114.1	R200 C201 I209	R200-G211 PolarHBondContact NE-O 2.67Å; R200-G211 PolarHBondContact NH2-O 3.06Å; C201-G211 WeakPolarHBondContact O-CA 3.18Å; C201-G211 PolarHBondContact O-N 2.85Å; I209-G211 VanDerWaalsContact C-N 3.26Å; I209-G211 PolarHBondContact O-N 3.48Å
212	G	97.8	Very high	95.6	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.021	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-60.8	154.1	179.7	0	0	0	0	0	113.3	E161 R200 C201 C210 L214	E161-G212 VanDerWaalsContact CG-CA 3.45Å; R200-G212 CarbonylContact C-O 3.56Å; R200-G212 WeakPolarHBondContact CA-O 3.42Å; C201-G212 WeakPolarHBondContact CB-O 3.33Å; C201-G212 PolarHBondContact N-O 2.91Å; C210-G212 PolarHBondContact O-N 3.35Å; G212-L214 PolarHBondContact O-N 3.06Å
213	L	98.3	Very high	95.4	Very high	20 Å²	20	54 Å²	54	11%	0.105	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-62.6	130.3	176.1	-178.6	60.1	0	0	0	109.2	F84 P88 L160 L198	F84-L213 HydrophobicContact CE1-CD2 3.72Å; F84-L213 HydrophobicContact CE1-CG 4.32Å; F84-L213 HydrophobicContact CZ-CD2 3.85Å; F84-L213 HydrophobicContact CZ-CG 4.13Å; P88-L213 HydrophobicContact CB-CD2 4.24Å; P88-L213 HydrophobicContact CG-CD2 4.48Å; L160-L213 HydrophobicContact CD1-CB 4.4Å; L160-L213 HydrophobicContact CD1-CD2 4.3Å; L160-L213 HydrophobicContact CD1-CG 4.43Å; L160-L213 PolarHBondContact N-O 3.11Å; L198-L213 HydrophobicContact CB-CD1 3.74Å; L198-L213 HydrophobicContact CD1-CD1 4.28Å
214	L	98.6	Very high	95.2	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	148.5	169.1	-60.9	177.2	0	0	0	109	W92 T157 R158 C159 P199 C201 G212	W92-L214 VanDerWaalsContact CE2-O 3.3Å; W92-L214 HydrophobicContact CZ2-CB 3.99Å; W92-L214 WeakPolarHBondContact CZ2-O 3.47Å; W92-L214 PolarHBondContact NE1-O 3.45Å; T157-L214 HydrophobicContact CG2-CD1 4.27Å; R158-L214 WeakPolarHBondContact O-CA 3.48Å; C159-L214 HydrophobicContact CB-CD2 3.86Å; P199-L214 HydrophobicContact CB-CB 4.06Å; P199-L214 HydrophobicContact CB-CD1 4.04Å; P199-L214 HydrophobicContact CB-CG 4.47Å; P199-L214 WeakPolarHBondContact O-CB 3.42Å; P199-L214 PolarHBondContact O-N 2.88Å; C201-L214 HydrophobicContact CB-CD2 3.78Å; C201-L214 HydrophobicContact CB-CG 4.47Å; G212-L214 PolarHBondContact O-N 3.06Å
215	R	98.4	Very high	95	Very high	22 Å²	22	50.9 Å²	50.9	8%	0.083	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	159	159	59.6	172.1	-78	-177.3	-5.6	109.9	F84 T157 R158 L160 H217 V218 W220 E223	F84-R215 HydrophobicContact CE1-CB 4.16Å; F84-R215 HydrophobicContact CE2-CB 4.08Å; F84-R215 HydrophobicContact CZ-CB 3.8Å; T157-R215 CarbonylContact C-O 3.55Å; T157-R215 WeakPolarHBondContact CA-O 3.46Å; R158-R215 HydrophobicContact CB-CG 4.19Å; R158-R215 PolarHBondContact N-O 3.33Å; R158-R215 WeakPolarHBondContact O-CG 3.35Å; R158-R215 PolarHBondContact O-N 3.11Å; L160-R215 VanDerWaalsContact CD2-CD 3.49Å; L160-R215 HydrophobicContact CD2-CG 3.82Å; L160-R215 HydrophobicContact CG-CG 4.34Å; R215-H217 PolarHBondContact O-N 3.23Å; R215-V218 PolarHBondContact NH2-O 3.43Å; R215-W220 HydrophobicContact CB-CH2 3.77Å; R215-W220 HydrophobicContact CB-CZ2 4.22Å; R215-W220 HydrophobicContact CG-CH2 4.41Å; R215-W220 VanDerWaalsContact CZ-CH2 3.4Å; R215-W220 VanDerWaalsContact NE-CH2 3.26Å; R215-W220 VanDerWaalsContact NH1-CE3 3.28Å; R215-E223 IonicContact CZ-OE1 3.69Å; R215-E223 IonicContact CZ-OE2 3.02Å; R215-E223 IonicContact NH1-OE1 2.66Å; R215-E223 PolarHBondContact NH1-OE1 2.94Å; R215-E223 IonicContact NH1-OE2 3.23Å; R215-E223 VanDerWaalsContact NH2-CD 3.33Å; R215-E223 IonicContact NH2-OE1 3.24Å; R215-E223 PolarHBondContact NH2-OE1 2.94Å; R215-E223 IonicContact NH2-OE2 3.77Å; R215-E223 PolarHBondContact NH2-OE2 2.8Å
216	P	98.2	Very high	94.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	133.8	163.4	-21.1	31.2	0	0	0	110	W92 Y95 V218	W92-P216 HydrophobicContact CE3-CG 4.27Å; W92-P216 HydrophobicContact CH2-CG 3.93Å; W92-P216 HydrophobicContact CZ2-CG 4.34Å; W92-P216 HydrophobicContact CZ3-CG 3.89Å; Y95-P216 HydrophobicContact CD1-CB 3.83Å; Y95-P216 HydrophobicContact CD1-CG 3.74Å; Y95-P216 HydrophobicContact CD2-CB 4.33Å; Y95-P216 HydrophobicContact CD2-CG 3.49Å; Y95-P216 VanDerWaalsContact CD2-CG 3.49Å; Y95-P216 HydrophobicContact CE1-CB 3.95Å; Y95-P216 HydrophobicContact CE1-CG 4.15Å; Y95-P216 HydrophobicContact CE2-CB 4.42Å; Y95-P216 HydrophobicContact CE2-CG 3.9Å; Y95-P216 HydrophobicContact CG-CB 4.03Å; Y95-P216 HydrophobicContact CG-CG 3.38Å; P216-V218 HydrophobicContact CB-CB 4.48Å; P216-V218 HydrophobicContact CB-CG2 4.19Å; P216-V218 PolarHBondContact O-N 3.48Å
217	H	97.9	Very high	94.9	Very high	22 Å²	22	47.8 Å²	47.8	10%	0.102	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	68.5	173	178.6	67.2	0	0	0	108.7	G152 N153 K156 R158 I165 R215 E226	G152-H217 CarbonylContact C-O 3.56Å; G152-H217 WeakPolarHBondContact CA-O 3.23Å; N153-H217 PolarHBondContact N-O 3.41Å; K156-H217 HydrophobicContact CB-CB 3.69Å; K156-H217 WeakPolarHBondContact O-CB 3.36Å; K156-H217 PolarHBondContact O-N 3.11Å; R158-H217 HydrophobicContact CB-CB 4.18Å; R158-H217 PolarHBondContact NE-ND1 3.09Å; R158-H217 PolarHBondContact NH2-CE1 3.27Å; R158-H217 PolarHBondContact NH2-ND1 3.2Å; I165-H217 HydrophobicContact CG2-CB 4.36Å; R215-H217 PolarHBondContact O-N 3.23Å; H217-E226 IonicContact CE1-OE1 3.71Å; H217-E226 PolarHBondContact CE1-OE1 3.22Å; H217-E226 VanDerWaalsContact CE1-OE1 3.26Å
218	V	96.5	Very high	95	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.085	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.6	177.5	175.5	0	0	0	0	107.5	Y95 V135 H151 L154 R215 P216 W220	Y95-V218 HydrophobicContact CE1-CB 4.31Å; Y95-V218 HydrophobicContact CE1-CG1 4.49Å; Y95-V218 HydrophobicContact CE1-CG2 4.06Å; V135-V218 HydrophobicContact CB-CG2 4.35Å; V135-V218 HydrophobicContact CG1-CG1 3.96Å; V135-V218 HydrophobicContact CG1-CG2 4.23Å; H151-V218 CarbonylContact O-C 3.5Å; H151-V218 WeakPolarHBondContact O-CA 3.38Å; H151-V218 WeakPolarHBondContact O-CG1 3.35Å; L154-V218 HydrophobicContact CD2-CG2 4.49Å; R215-V218 PolarHBondContact NH2-O 3.43Å; P216-V218 HydrophobicContact CB-CB 4.48Å; P216-V218 HydrophobicContact CB-CG2 4.19Å; P216-V218 PolarHBondContact O-N 3.48Å; V218-W220 PolarHBondContact O-N 2.99Å
219	V	94.6	Very high	95	Very high	31 Å²	31	42.2 Å²	42.2	19%	0.188	24%	0.236	C	C	.	.			trans	-75.3	115.8	175.3	-179.3	0	0	0	0	108.2	H151 E223 L225	H151-V219 HydrophobicContact CB-CB 4.36Å; H151-V219 PolarHBondContact O-N 2.9Å; V219-E223 HydrophobicContact CG1-CB 4.08Å; V219-L225 HydrophobicContact CG1-CD2 4.33Å; V219-L225 HydrophobicContact CG2-CD2 4.19Å
220	W	94.1	Very high	94.8	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.019	23%	0.226	C	C	.	.			trans	-82.5	159	179.5	-74.5	-27.1	0	0	0	112.3	A79 P81 F84 V91 Y95 R215 V218 G222 E223	A79-W220 VanDerWaalsContact C-CD1 3.49Å; A79-W220 CarbonylContact O-C 3.58Å; A79-W220 WeakPolarHBondContact O-CA 3.38Å; A79-W220 WeakPolarHBondContact O-CB 3.22Å; P81-W220 HydrophobicContact CB-CE3 4.31Å; P81-W220 HydrophobicContact CG-CB 4.49Å; P81-W220 HydrophobicContact CG-CE3 4.09Å; F84-W220 HydrophobicContact CB-CE3 4.38Å; F84-W220 HydrophobicContact CB-CH2 3.35Å; F84-W220 HydrophobicContact CB-CZ2 4.1Å; F84-W220 HydrophobicContact CB-CZ3 3.48Å; F84-W220 VanDerWaalsContact CB-CZ3 3.48Å; F84-W220 AromaticContact CD1-CH2 3.78Å; F84-W220 HydrophobicContact CD1-CH2 3.78Å; F84-W220 HydrophobicContact CD1-CZ3 4.18Å; F84-W220 AromaticContact CD2-CH2 3.41Å; F84-W220 HydrophobicContact CD2-CH2 3.41Å; F84-W220 VanDerWaalsContact CD2-CH2 3.41Å; F84-W220 AromaticContact CD2-CZ2 3.82Å; F84-W220 HydrophobicContact CD2-CZ2 3.82Å; F84-W220 HydrophobicContact CD2-CZ3 4.39Å; F84-W220 HydrophobicContact CE1-CH2 4.45Å; F84-W220 HydrophobicContact CE2-CH2 4.12Å; F84-W220 HydrophobicContact CE2-CZ2 4.49Å; F84-W220 AromaticContact CG-CH2 3.21Å; F84-W220 HydrophobicContact CG-CH2 3.21Å; F84-W220 HydrophobicContact CG-CZ2 4.04Å; F84-W220 AromaticContact CG-CZ3 3.77Å; F84-W220 HydrophobicContact CG-CZ3 3.77Å; V91-W220 HydrophobicContact CG1-CZ2 4.35Å; Y95-W220 AromaticContact CE2-NE1 3.57Å; Y95-W220 AromaticContact CZ-NE1 3.52Å; Y95-W220 PolarHBondContact OH-NE1 3.47Å; R215-W220 HydrophobicContact CB-CH2 3.77Å; R215-W220 HydrophobicContact CB-CZ2 4.22Å; R215-W220 HydrophobicContact CG-CH2 4.41Å; R215-W220 VanDerWaalsContact CZ-CH2 3.4Å; R215-W220 VanDerWaalsContact NE-CH2 3.26Å; R215-W220 VanDerWaalsContact NH1-CE3 3.28Å; V218-W220 PolarHBondContact O-N 2.99Å; W220-G222 PolarHBondContact O-N 3.37Å; W220-E223 HydrophobicContact CB-CG 4.06Å; W220-E223 WeakPolarHBondContact CB-OE2 3.35Å; W220-E223 PolarHBondContact N-OE2 3.3Å; W220-E223 WeakPolarHBondContact O-CB 3.14Å; W220-E223 PolarHBondContact O-N 2.96Å
221	F	89.8	Confident	94.7	Very high	87 Å²	87	41.7 Å²	41.7	38%	0.382	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	129.5	169.9	-67.3	-82.5	0	0	0	109.5	C12 Q76 A79 T80 P81	C12-F221 HydrophobicContact CB-CD1 4.48Å; Q76-F221 HydrophobicContact CB-CD2 4.02Å; Q76-F221 HydrophobicContact CB-CE2 3.8Å; Q76-F221 HydrophobicContact CB-CZ 4.18Å; A79-F221 HydrophobicContact CB-CD2 4.06Å; A79-F221 HydrophobicContact CB-CE2 4.32Å; A79-F221 WeakPolarHBondContact O-CD2 3.18Å; A79-F221 PolarHBondContact O-N 3.35Å; T80-F221 HydrophobicContact CG2-CB 4.23Å; P81-F221 WeakPolarHBondContact CD-O 3.06Å
222	G	88.4	Confident	94.6	Very high	38 Å²	38	45.4 Å²	45.4	39%	0.392	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-9.4	-173.8	0	0	0	0	0	114.5	W220	W220-G222 PolarHBondContact O-N 3.37Å
223	E	93	Very high	94.6	Very high	50 Å²	50	45.3 Å²	45.3	23%	0.234	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-90.8	157.1	172.1	-61.8	-171.6	137.5	0	0	112.2	P81 R215 V219 W220	P81-E223 HydrophobicContact CG-CG 3.6Å; R215-E223 IonicContact CZ-OE1 3.69Å; R215-E223 IonicContact CZ-OE2 3.02Å; R215-E223 IonicContact NH1-OE1 2.66Å; R215-E223 PolarHBondContact NH1-OE1 2.94Å; R215-E223 IonicContact NH1-OE2 3.23Å; R215-E223 VanDerWaalsContact NH2-CD 3.33Å; R215-E223 IonicContact NH2-OE1 3.24Å; R215-E223 PolarHBondContact NH2-OE1 2.94Å; R215-E223 IonicContact NH2-OE2 3.77Å; R215-E223 PolarHBondContact NH2-OE2 2.8Å; V219-E223 HydrophobicContact CG1-CB 4.08Å; W220-E223 HydrophobicContact CB-CG 4.06Å; W220-E223 WeakPolarHBondContact CB-OE2 3.35Å; W220-E223 PolarHBondContact N-OE2 3.3Å; W220-E223 WeakPolarHBondContact O-CB 3.14Å; W220-E223 PolarHBondContact O-N 2.96Å
224	N	91.9	Very high	94.4	Very high	115 Å²	115	45.7 Å²	45.7	62%	0.615	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-84.6	146	170.2	-64.9	-48.4	0	0	0	110
225	L	92.3	Very high	94.3	Very high	22 Å²	22	49.5 Å²	49.5	12%	0.115	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-61.3	145.5	162.3	-69.7	168.4	0	0	0	109.7	L150 V219 L230 P254	L150-L225 HydrophobicContact CB-CD2 4.25Å; L150-L225 WeakPolarHBondContact O-CD2 3.4Å; V219-L225 HydrophobicContact CG1-CD2 4.33Å; V219-L225 HydrophobicContact CG2-CD2 4.19Å; L225-L230 HydrophobicContact CB-CD1 3.94Å; L225-L230 HydrophobicContact CB-CD2 3.95Å; L225-L230 HydrophobicContact CB-CG 3.72Å; L225-L230 HydrophobicContact CD1-CD2 3.57Å; L225-L230 HydrophobicContact CD1-CG 4.31Å; L225-L230 HydrophobicContact CG-CD2 4.42Å; L225-P254 HydrophobicContact CD1-CG 3.68Å
226	E	91.5	Very high	94.2	Very high	48 Å²	48	49.4 Å²	49.4	22%	0.224	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-63.5	132.9	179.5	-68.4	-177.2	-118.4	0	0	110.7	R158 H217 H228 I229 L230	R158-E226 IonicContact CZ-OE1 3.51Å; R158-E226 IonicContact NH2-OE1 3.21Å; R158-E226 PolarHBondContact NH2-OE1 3.12Å; R158-E226 IonicContact NH2-OE2 3.38Å; R158-E226 PolarHBondContact NH2-OE2 3.23Å; H217-E226 IonicContact CE1-OE1 3.71Å; H217-E226 PolarHBondContact CE1-OE1 3.22Å; H217-E226 VanDerWaalsContact CE1-OE1 3.26Å; E226-H228 PolarHBondContact O-N 3.36Å; E226-H228 VanDerWaalsContact O-N 3.13Å; E226-H228 IonicContact OE2-CE1 3.65Å; E226-H228 PolarHBondContact OE2-CE1 3.11Å; E226-H228 VanDerWaalsContact OE2-CE1 3.24Å; E226-H228 IonicContact OE2-ND1 2.72Å; E226-I229 HydrophobicContact CB-CB 4.4Å; E226-I229 HydrophobicContact CB-CG1 3.99Å; E226-I229 WeakPolarHBondContact O-CB 3.26Å; E226-I229 PolarHBondContact O-N 3.19Å; E226-L230 PolarHBondContact O-N 2.95Å
227	P	93.4	Very high	94.1	Very high	106 Å²	106	49.6 Å²	49.6	69%	0.688	27%	0.273	S	S	*	.	H	α-helix	trans	-55	-37.7	-174	-29.7	35.2	0	0	0	114.1	L230 S231	P227-L230 PolarHBondContact O-N 2.91Å; P227-S231 PolarHBondContact O-N 3.24Å
228	H	94.8	Very high	94	Very high	116 Å²	116	55.4 Å²	55.4	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-69.1	-32.8	178.6	71.6	-92.3	0	0	0	112.6	E226 K232	E226-H228 PolarHBondContact O-N 3.36Å; E226-H228 VanDerWaalsContact O-N 3.13Å; E226-H228 IonicContact OE2-CE1 3.65Å; E226-H228 PolarHBondContact OE2-CE1 3.11Å; E226-H228 VanDerWaalsContact OE2-CE1 3.24Å; E226-H228 IonicContact OE2-ND1 2.72Å; H228-K232 WeakPolarHBondContact O-CB 3.17Å; H228-K232 PolarHBondContact O-N 3.01Å
229	I	94.8	Very high	94	Very high	27 Å²	27	61.5 Å²	61.5	14%	0.138	33%	0.325	C	S	.	.	H	α-helix	trans	-68.8	-42.2	174	-61.9	-63	0	0	0	110	L148 L150 E226 K232 A233	L148-I229 HydrophobicContact CD1-CD1 3.83Å; L148-I229 HydrophobicContact CD1-CG2 4.2Å; L148-I229 HydrophobicContact CD2-CG2 4.42Å; L148-I229 HydrophobicContact CG-CG2 4.29Å; L150-I229 HydrophobicContact CD2-CG2 3.8Å; E226-I229 HydrophobicContact CB-CB 4.4Å; E226-I229 HydrophobicContact CB-CG1 3.99Å; E226-I229 WeakPolarHBondContact O-CB 3.26Å; E226-I229 PolarHBondContact O-N 3.19Å; I229-K232 PolarHBondContact O-N 2.82Å; I229-A233 WeakPolarHBondContact O-CB 3.23Å; I229-A233 PolarHBondContact O-N 2.98Å
230	L	92.7	Very high	94.2	Very high	44 Å²	44	60.3 Å²	60.3	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-44.9	174.8	-75.9	175.6	0	0	0	112.2	L225 E226 P227 A233 G234 P254	L225-L230 HydrophobicContact CB-CD1 3.94Å; L225-L230 HydrophobicContact CB-CD2 3.95Å; L225-L230 HydrophobicContact CB-CG 3.72Å; L225-L230 HydrophobicContact CD1-CD2 3.57Å; L225-L230 HydrophobicContact CD1-CG 4.31Å; L225-L230 HydrophobicContact CG-CD2 4.42Å; E226-L230 PolarHBondContact O-N 2.95Å; P227-L230 PolarHBondContact O-N 2.91Å; L230-A233 PolarHBondContact O-N 2.85Å; L230-G234 PolarHBondContact O-N 2.94Å; L230-P254 HydrophobicContact CD2-CG 3.9Å
231	S	94.3	Very high	94.4	Very high	66 Å²	66	62.1 Å²	62.1	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-58.2	-51.5	175.8	-169.8	0	0	0	0	110.9	P227 A233 G234 E235	P227-S231 PolarHBondContact O-N 3.24Å; S231-A233 VanDerWaalsContact C-N 3.33Å; S231-A233 PolarHBondContact O-N 2.88Å; S231-G234 WeakPolarHBondContact O-CA 3.22Å; S231-G234 PolarHBondContact O-N 3.2Å; S231-G234 VanDerWaalsContact O-N 3.09Å; S231-E235 WeakPolarHBondContact O-CG 3.35Å; S231-E235 PolarHBondContact O-N 3.46Å; S231-E235 PolarHBondContact OG-OE1 2.66Å
232	K	96.4	Very high	94.8	Very high	102 Å²	102	58 Å²	58	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-40.7	179.1	-175.6	167.4	177.3	179.2	0	112.2	L148 H228 I229 G234 E235 I236	L148-K232 HydrophobicContact CD1-CD 3.9Å; L148-K232 HydrophobicContact CD1-CG 4.25Å; L148-K232 HydrophobicContact CD2-CB 4.38Å; L148-K232 HydrophobicContact CD2-CG 4.24Å; H228-K232 WeakPolarHBondContact O-CB 3.17Å; H228-K232 PolarHBondContact O-N 3.01Å; I229-K232 PolarHBondContact O-N 2.82Å; K232-G234 VanDerWaalsContact C-N 3.34Å; K232-E235 PolarHBondContact O-N 3.02Å; K232-I236 HydrophobicContact CG-CD1 4.12Å; K232-I236 WeakPolarHBondContact O-CD1 3.45Å; K232-I236 VanDerWaalsContact O-CG1 3.28Å; K232-I236 WeakPolarHBondContact O-CG1 3.37Å; K232-I236 PolarHBondContact O-N 3.2Å; K232-I236 VanDerWaalsContact O-N 3.09Å
233	A	95.9	Very high	95.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-43.9	174.2	0	0	0	0	0	111.4	I131 L148 L150 I229 L230 S231 I236 V237 F258	I131-A233 HydrophobicContact CD1-CB 4.12Å; L148-A233 HydrophobicContact CD2-CB 3.72Å; L150-A233 HydrophobicContact CD2-CB 4.16Å; I229-A233 WeakPolarHBondContact O-CB 3.23Å; I229-A233 PolarHBondContact O-N 2.98Å; L230-A233 PolarHBondContact O-N 2.85Å; S231-A233 VanDerWaalsContact C-N 3.33Å; S231-A233 PolarHBondContact O-N 2.88Å; A233-I236 PolarHBondContact O-N 3.38Å; A233-V237 WeakPolarHBondContact O-CB 3.26Å; A233-V237 WeakPolarHBondContact O-CG2 3.37Å; A233-V237 PolarHBondContact O-N 3.07Å; A233-F258 HydrophobicContact CB-CE2 3.81Å; A233-F258 HydrophobicContact CB-CZ 3.99Å
234	G	95	Very high	95.4	Very high	29 Å²	29	53.8 Å²	53.8	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-44.9	175.7	0	0	0	0	0	113	L230 S231 K232 I236 V237 Q238	L230-G234 PolarHBondContact O-N 2.94Å; S231-G234 WeakPolarHBondContact O-CA 3.22Å; S231-G234 PolarHBondContact O-N 3.2Å; S231-G234 VanDerWaalsContact O-N 3.09Å; K232-G234 VanDerWaalsContact C-N 3.34Å; G234-I236 PolarHBondContact O-N 3.47Å; G234-V237 PolarHBondContact O-N 3.34Å; G234-Q238 WeakPolarHBondContact O-CB 3.19Å; G234-Q238 PolarHBondContact O-N 3.13Å
235	E	96.3	Very high	95.6	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-43.4	177	-71.4	167.1	-147.1	0	0	112.5	S231 K232 Q238 K239	S231-E235 WeakPolarHBondContact O-CG 3.35Å; S231-E235 PolarHBondContact O-N 3.46Å; S231-E235 PolarHBondContact OG-OE1 2.66Å; K232-E235 PolarHBondContact O-N 3.02Å; E235-Q238 PolarHBondContact O-N 3.24Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.26Å
236	I	96.9	Very high	95.8	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.097	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-46.9	176.6	-65.9	162.9	0	0	0	110	L47 F129 I131 L148 K232 A233 G234 Q238 K239 A240	L47-I236 HydrophobicContact CD1-CG2 3.81Å; L47-I236 HydrophobicContact CD2-CG2 4.29Å; L47-I236 HydrophobicContact CG-CG2 4.48Å; F129-I236 HydrophobicContact CB-CG2 3.7Å; F129-I236 HydrophobicContact CD1-CD1 3.58Å; F129-I236 HydrophobicContact CD1-CG1 4.06Å; F129-I236 HydrophobicContact CE1-CD1 4.03Å; F129-I236 HydrophobicContact CE1-CG1 4.39Å; F129-I236 HydrophobicContact CG-CD1 4.14Å; F129-I236 HydrophobicContact CG-CG1 4.23Å; F129-I236 HydrophobicContact CG-CG2 4.05Å; I131-I236 HydrophobicContact CD1-CB 4.16Å; I131-I236 HydrophobicContact CD1-CD1 4.25Å; I131-I236 HydrophobicContact CD1-CG2 4.02Å; I131-I236 HydrophobicContact CG1-CD1 4.35Å; L148-I236 HydrophobicContact CD2-CD1 4.14Å; K232-I236 HydrophobicContact CG-CD1 4.12Å; K232-I236 WeakPolarHBondContact O-CD1 3.45Å; K232-I236 VanDerWaalsContact O-CG1 3.28Å; K232-I236 WeakPolarHBondContact O-CG1 3.37Å; K232-I236 PolarHBondContact O-N 3.2Å; K232-I236 VanDerWaalsContact O-N 3.09Å; A233-I236 PolarHBondContact O-N 3.38Å; G234-I236 PolarHBondContact O-N 3.47Å; I236-Q238 VanDerWaalsContact C-N 3.28Å; I236-Q238 PolarHBondContact O-N 3.47Å; I236-K239 PolarHBondContact O-N 2.89Å; I236-A240 PolarHBondContact O-N 3.33Å; I236-A240 VanDerWaalsContact O-N 3.13Å
237	V	96.2	Very high	95.9	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-37.4	178.1	169.8	0	0	0	0	111.6	L47 F49 I131 A233 G234 K239 F258 L262 R265	L47-V237 HydrophobicContact CD2-CB 4.46Å; L47-V237 HydrophobicContact CD2-CG2 3.73Å; F49-V237 HydrophobicContact CE2-CG2 4.13Å; F49-V237 HydrophobicContact CZ-CG2 3.59Å; I131-V237 HydrophobicContact CD1-CG2 4.45Å; A233-V237 WeakPolarHBondContact O-CB 3.26Å; A233-V237 WeakPolarHBondContact O-CG2 3.37Å; A233-V237 PolarHBondContact O-N 3.07Å; G234-V237 PolarHBondContact O-N 3.34Å; V237-K239 VanDerWaalsContact C-N 3.34Å; V237-K239 PolarHBondContact O-N 2.95Å; V237-F258 HydrophobicContact CG1-CB 4.24Å; V237-F258 HydrophobicContact CG1-CD1 4.27Å; V237-F258 HydrophobicContact CG1-CG 4.47Å; V237-F258 HydrophobicContact CG2-CB 3.86Å; V237-F258 HydrophobicContact CG2-CD1 4.07Å; V237-F258 HydrophobicContact CG2-CD2 4.07Å; V237-F258 HydrophobicContact CG2-CG 3.76Å; V237-L262 HydrophobicContact CG1-CD1 4.14Å; V237-L262 HydrophobicContact CG1-CD2 4.47Å; V237-L262 HydrophobicContact CG1-CG 4.08Å; V237-R265 PolarHBondContact O-NH2 3.21Å
238	Q	95.7	Very high	95.6	Very high	144 Å²	144	40.4 Å²	40.4	67%	0.673	21%	0.208	S	C	*	.	H	α-helix	trans	-64.2	-40.1	179.2	-171.4	176.8	22.8	0	0	111.8	G234 E235 I236 R265	G234-Q238 WeakPolarHBondContact O-CB 3.19Å; G234-Q238 PolarHBondContact O-N 3.13Å; E235-Q238 PolarHBondContact O-N 3.24Å; I236-Q238 VanDerWaalsContact C-N 3.28Å; I236-Q238 PolarHBondContact O-N 3.47Å; Q238-R265 PolarHBondContact O-NH1 2.97Å; Q238-R265 VanDerWaalsContact O-NH1 3.1Å
239	K	96.9	Very high	95	Very high	142 Å²	142	37.3 Å²	37.3	62%	0.617	20%	0.199	S	C	*	.	H	α-helix	trans	-80.4	-21.8	-177.2	-68.7	174.6	-178.8	174.3	0	114.5	N45 E235 I236 V237 D241	N45-K239 WeakPolarHBondContact CB-O 3.26Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.26Å; I236-K239 PolarHBondContact O-N 2.89Å; V237-K239 VanDerWaalsContact C-N 3.34Å; V237-K239 PolarHBondContact O-N 2.95Å; K239-D241 PolarHBondContact O-N 3.02Å
240	A	97.9	Very high	94	Very high	6 Å²	6	36.6 Å²	36.6	5%	0.05	20%	0.196	C	C	.	.			trans	-62.6	132.7	-174.4	0	0	0	0	0	112.7	N45 L47 I236 L262	N45-A240 CarbonylContact O-C 3.56Å; N45-A240 VanDerWaalsContact O-CA 3.3Å; N45-A240 WeakPolarHBondContact O-CA 3.47Å; L47-A240 HydrophobicContact CB-CB 3.73Å; L47-A240 HydrophobicContact CD2-CB 4.17Å; I236-A240 PolarHBondContact O-N 3.33Å; I236-A240 VanDerWaalsContact O-N 3.13Å; A240-L262 HydrophobicContact CB-CD2 4.06Å
241	D	97.7	Very high	93	Very high	44 Å²	44	37.4 Å²	37.4	24%	0.235	21%	0.209	C	C	.	.	S	Bend	trans	-107.4	-6.5	174.7	61.7	23.5	0	0	0	113.2	S43 H44 N45 K239 I267	S43-D241 WeakPolarHBondContact CB-OD1 3.5Å; S43-D241 PolarHBondContact OG-OD1 3.16Å; H44-D241 WeakPolarHBondContact CA-OD2 3.44Å; H44-D241 WeakPolarHBondContact CB-OD2 3.35Å; H44-D241 PolarHBondContact N-OD1 3.21Å; H44-D241 PolarHBondContact N-OD2 2.84Å; N45-D241 PolarHBondContact N-OD1 2.88Å; N45-D241 VanDerWaalsContact N-OD1 3.14Å; N45-D241 PolarHBondContact N-OD2 3.35Å; N45-D241 PolarHBondContact O-N 3.32Å; N45-D241 VanDerWaalsContact O-OD1 3.12Å; K239-D241 PolarHBondContact O-N 3.02Å; D241-I267 VanDerWaalsContact C-CG2 3.49Å; D241-I267 WeakPolarHBondContact O-CG2 3.28Å
242	V	97.9	Very high	91.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148	166.6	64.1	0	0	0	0	109.6	F36 V39 L40 S43 V46 L47 P268	F36-V242 HydrophobicContact CE2-CG2 3.54Å; F36-V242 HydrophobicContact CZ-CG2 3.66Å; V39-V242 HydrophobicContact CG1-CB 4.15Å; V39-V242 HydrophobicContact CG1-CG2 3.78Å; L40-V242 HydrophobicContact CD2-CG1 4.22Å; L40-V242 HydrophobicContact CD2-CG2 4.21Å; S43-V242 VanDerWaalsContact CB-CG1 3.46Å; S43-V242 WeakPolarHBondContact OG-CB 3.31Å; S43-V242 WeakPolarHBondContact OG-CG1 3.42Å; V46-V242 HydrophobicContact CB-CG1 4.05Å; V46-V242 HydrophobicContact CG1-CG1 4.03Å; V46-V242 HydrophobicContact CG2-CG1 3.66Å; L47-V242 PolarHBondContact N-O 2.82Å; V242-P268 HydrophobicContact CG2-CB 4.38Å
243	C	97.4	Very high	91	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.9	-179.8	-177.2	0	0	0	0	112.5	L47 L262 P268 V269 A270	L47-C243 CarbonylContact O-C 3.46Å; L47-C243 VanDerWaalsContact O-CA 3.24Å; L47-C243 WeakPolarHBondContact O-CA 3.45Å; C243-L262 HydrophobicContact CB-CD1 3.8Å; C243-P268 PolarHBondContact N-O 2.91Å; C243-V269 HydrophobicContact CB-CB 4.47Å; C243-V269 HydrophobicContact CB-CG1 4.16Å; C243-V269 HydrophobicContact CB-CG2 4.13Å; C243-V269 CarbonylContact O-C 3.57Å; C243-V269 WeakPolarHBondContact O-CA 3.46Å; C243-A270 PolarHBondContact O-N 3.34Å
244	L	97.3	Very high	90.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.4	168.3	-57.4	95.1	0	0	0	109.5	F36 L40 V46 L47 A48 F49 V246 A270 I272 L295 L298 F299	F36-L244 HydrophobicContact CE1-CD2 3.91Å; F36-L244 HydrophobicContact CE1-CG 4.08Å; F36-L244 HydrophobicContact CZ-CD2 4.4Å; F36-L244 HydrophobicContact CZ-CG 4.05Å; L40-L244 HydrophobicContact CD2-CD1 4.24Å; V46-L244 HydrophobicContact CG1-CD1 3.55Å; L47-L244 PolarHBondContact O-N 3.23Å; A48-L244 CarbonylContact C-O 3.59Å; A48-L244 WeakPolarHBondContact CA-O 2.96Å; A48-L244 HydrophobicContact CB-CB 4.45Å; F49-L244 PolarHBondContact N-O 2.8Å; L244-V246 HydrophobicContact CB-CG2 4.15Å; L244-A270 CarbonylContact C-O 3.49Å; L244-A270 WeakPolarHBondContact CA-O 3.33Å; L244-I272 HydrophobicContact CB-CD1 4.15Å; L244-I272 HydrophobicContact CD2-CD1 3.96Å; L244-I272 HydrophobicContact CG-CD1 4.47Å; L244-L295 HydrophobicContact CD2-CD2 4.1Å; L244-L298 HydrophobicContact CD2-CD1 4.28Å; L244-F299 HydrophobicContact CD1-CZ 4.16Å; L244-F299 HydrophobicContact CD2-CE2 3.91Å; L244-F299 HydrophobicContact CD2-CZ 3.81Å
245	V	95.6	Very high	89.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	104.4	173.6	-174.2	0	0	0	0	108	A248 T259 V269 A270 E271 I272	V245-A248 HydrophobicContact CG1-CB 4.04Å; V245-T259 HydrophobicContact CG1-CG2 4.47Å; V245-T259 HydrophobicContact CG2-CG2 3.36Å; V245-V269 HydrophobicContact CG2-CG1 3.82Å; V245-A270 PolarHBondContact N-O 3.06Å; V245-E271 WeakPolarHBondContact O-CA 3.46Å; V245-I272 PolarHBondContact O-N 3.5Å
246	V	96.6	Very high	88.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.9	-168.1	-170.9	0	0	0	0	111	F49 T50 G51 I54 L244 A248 I272 L295	F49-V246 PolarHBondContact O-N 3.37Å; T50-V246 WeakPolarHBondContact CA-O 3.38Å; T50-V246 HydrophobicContact CG2-CB 4.18Å; G51-V246 PolarHBondContact N-O 3.2Å; I54-V246 HydrophobicContact CB-CG1 4.2Å; I54-V246 HydrophobicContact CD1-CG1 3.93Å; I54-V246 HydrophobicContact CG1-CG1 3.9Å; L244-V246 HydrophobicContact CB-CG2 4.15Å; V246-A248 PolarHBondContact O-N 3.43Å; V246-I272 WeakPolarHBondContact CA-O 3.25Å; V246-I272 HydrophobicContact CG1-CB 4.44Å; V246-I272 HydrophobicContact CG2-CD1 4.24Å; V246-L295 HydrophobicContact CG1-CD1 3.91Å; V246-L295 HydrophobicContact CG2-CD1 4.44Å; V246-L295 HydrophobicContact CG2-CD2 4.13Å
247	G	93.5	Very high	88.2	Confident	9 Å²	9	33.3 Å²	33.3	9%	0.093	18%	0.181	C	C	.	.	S	Bend	trans	59.4	31.7	172.7	0	0	0	0	0	113.9	G51 A52 G53 I272	G51-G247 CarbonylContact C-O 3.6Å; G51-G247 WeakPolarHBondContact CA-O 3.42Å; A52-G247 PolarHBondContact N-O 3.39Å; G53-G247 WeakPolarHBondContact CA-O 3.34Å; G53-G247 PolarHBondContact N-O 3.03Å; G247-I272 PolarHBondContact N-O 3.37Å
248	A	88.3	Confident	87.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	19%	0.186	C	C	.	.			trans	-116.3	138.1	178.3	0	0	0	0	0	110.1	V245 V246 S250 N273	V245-A248 HydrophobicContact CG1-CB 4.04Å; V246-A248 PolarHBondContact O-N 3.43Å; A248-S250 PolarHBondContact O-N 3.12Å; A248-S250 VanDerWaalsContact O-N 3.14Å; A248-N273 PolarHBondContact O-ND2 3.12Å; A248-N273 VanDerWaalsContact O-ND2 3.1Å
249	S	81	Confident	87.5	Confident	50 Å²	50	27.7 Å²	27.7	35%	0.35	15%	0.154	S	C	.	.			trans	-72.1	-0.5	177.6	56.5	0	0	0	0	114.2	A251	S249-A251 PolarHBondContact O-N 2.99Å
250	S	74.3	Confident	87	Confident	12 Å²	12	27.2 Å²	27.2	8%	0.084	15%	0.149	C	C	.	.	S	Bend	trans	49.9	23.7	-176.1	-58.8	0	0	0	0	114.8	A248 A256	A248-S250 PolarHBondContact O-N 3.12Å; A248-S250 VanDerWaalsContact O-N 3.14Å; S250-A256 VanDerWaalsContact O-CB 3.26Å; S250-A256 WeakPolarHBondContact O-CB 3.29Å
251	A	72.1	Confident	86.7	Confident	62 Å²	62	29.5 Å²	29.5	51%	0.512	16%	0.164	S	C	.	.			trans	-106.9	-16	-176.9	0	0	0	0	0	113.5	S249	S249-A251 PolarHBondContact O-N 2.99Å
252	V	72	Confident	86.5	Confident	33 Å²	33	27.4 Å²	27.4	20%	0.2	15%	0.153	C	C	.	.	S	Bend	trans	-97	124.3	-176	-175.7	0	0	0	0	109.5	V255 A256	V252-V255 PolarHBondContact O-N 2.98Å; V252-A256 PolarHBondContact O-N 2.81Å; V252-A256 VanDerWaalsContact O-N 3.12Å
253	Y	76.5	Confident	86.2	Confident	131 Å²	131	28.6 Å²	28.6	51%	0.514	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	143.3	173.8	-79.4	-98	0	0	0	110.6	L10 A256	L10-Y253 HydrophobicContact CD2-CD1 3.66Å; L10-Y253 HydrophobicContact CD2-CG 4.01Å; Y253-A256 HydrophobicContact CD2-CB 4.41Å; Y253-A256 HydrophobicContact CE2-CB 4.38Å
254	P	80.9	Confident	85.8	Confident	3 Å²	3	35 Å²	35	2%	0.019	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.2	-2	9.2	36.4	-37.9	0	0	0	114.8	L225 L230 A256 S257 F258	L225-P254 HydrophobicContact CD1-CG 3.68Å; L230-P254 HydrophobicContact CD2-CG 3.9Å; P254-A256 VanDerWaalsContact C-N 3.25Å; P254-A256 PolarHBondContact O-N 3.24Å; P254-S257 PolarHBondContact O-N 3.22Å; P254-S257 PolarHBondContact O-OG 3.28Å; P254-F258 HydrophobicContact CB-CD2 4.26Å; P254-F258 HydrophobicContact CB-CE1 4.44Å; P254-F258 HydrophobicContact CB-CE2 3.78Å; P254-F258 HydrophobicContact CB-CZ 3.88Å; P254-F258 HydrophobicContact CG-CD2 4.35Å; P254-F258 HydrophobicContact CG-CE2 3.67Å; P254-F258 HydrophobicContact CG-CZ 4.08Å; P254-F258 WeakPolarHBondContact O-CD2 3.41Å; P254-F258 WeakPolarHBondContact O-CG 3.48Å; P254-F258 PolarHBondContact O-N 2.99Å
255	V	76.8	Confident	85.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-39.1	-176.9	177.8	0	0	0	0	111.7	F49 Q133 L150 V252 S257 F258 T259	F49-V255 HydrophobicContact CB-CG1 4.12Å; F49-V255 HydrophobicContact CD1-CG1 3.94Å; F49-V255 HydrophobicContact CD1-CG2 4.13Å; F49-V255 HydrophobicContact CE1-CG2 4.35Å; F49-V255 HydrophobicContact CG-CG1 3.97Å; Q133-V255 HydrophobicContact CG-CG2 3.82Å; L150-V255 HydrophobicContact CD1-CG2 3.65Å; V252-V255 PolarHBondContact O-N 2.98Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 3Å; V255-F258 PolarHBondContact O-N 2.78Å; V255-T259 HydrophobicContact CG1-CG2 4.34Å; V255-T259 WeakPolarHBondContact O-CG2 3.38Å; V255-T259 PolarHBondContact O-N 2.92Å; V255-T259 VanDerWaalsContact O-N 3.1Å; V255-T259 PolarHBondContact O-OG1 3.29Å
256	A	82.2	Confident	85.5	Confident	14 Å²	14	43.1 Å²	43.1	12%	0.116	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-37.7	174	0	0	0	0	0	113.2	S250 V252 Y253 P254 T259 R260	S250-A256 VanDerWaalsContact O-CB 3.26Å; S250-A256 WeakPolarHBondContact O-CB 3.29Å; V252-A256 PolarHBondContact O-N 2.81Å; V252-A256 VanDerWaalsContact O-N 3.12Å; Y253-A256 HydrophobicContact CD2-CB 4.41Å; Y253-A256 HydrophobicContact CE2-CB 4.38Å; P254-A256 VanDerWaalsContact C-N 3.25Å; P254-A256 PolarHBondContact O-N 3.24Å; A256-T259 PolarHBondContact O-OG1 2.88Å; A256-T259 VanDerWaalsContact O-OG1 3.09Å; A256-R260 WeakPolarHBondContact O-CB 3.3Å; A256-R260 PolarHBondContact O-N 3.27Å
257	S	85.7	Confident	85.5	Confident	41 Å²	41	45 Å²	45	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-77.5	-36.6	178.4	59.2	0	0	0	0	112.5	P254 V255 R260 S261	P254-S257 PolarHBondContact O-N 3.22Å; P254-S257 PolarHBondContact O-OG 3.28Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 3Å; S257-R260 PolarHBondContact O-N 3.26Å; S257-S261 VanDerWaalsContact O-CB 3.28Å; S257-S261 WeakPolarHBondContact O-CB 3.36Å; S257-S261 PolarHBondContact O-N 2.86Å
258	F	89.5	Confident	85.6	Confident	29 Å²	29	45.7 Å²	45.7	13%	0.127	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-46.4	177.6	-65.2	-33.2	0	0	0	112.7	F49 A233 V237 P254 V255 R260 S261 L262	F49-F258 AromaticContact CE1-CD2 3.86Å; F49-F258 HydrophobicContact CE1-CD2 3.86Å; F49-F258 HydrophobicContact CE2-CB 3.83Å; F49-F258 HydrophobicContact CZ-CB 3.56Å; F49-F258 AromaticContact CZ-CD2 3.57Å; F49-F258 HydrophobicContact CZ-CD2 3.57Å; F49-F258 AromaticContact CZ-CG 3.96Å; F49-F258 HydrophobicContact CZ-CG 3.96Å; A233-F258 HydrophobicContact CB-CE2 3.81Å; A233-F258 HydrophobicContact CB-CZ 3.99Å; V237-F258 HydrophobicContact CG1-CB 4.24Å; V237-F258 HydrophobicContact CG1-CD1 4.27Å; V237-F258 HydrophobicContact CG1-CG 4.47Å; V237-F258 HydrophobicContact CG2-CB 3.86Å; V237-F258 HydrophobicContact CG2-CD1 4.07Å; V237-F258 HydrophobicContact CG2-CD2 4.07Å; V237-F258 HydrophobicContact CG2-CG 3.76Å; P254-F258 HydrophobicContact CB-CD2 4.26Å; P254-F258 HydrophobicContact CB-CE1 4.44Å; P254-F258 HydrophobicContact CB-CE2 3.78Å; P254-F258 HydrophobicContact CB-CZ 3.88Å; P254-F258 HydrophobicContact CG-CD2 4.35Å; P254-F258 HydrophobicContact CG-CE2 3.67Å; P254-F258 HydrophobicContact CG-CZ 4.08Å; P254-F258 WeakPolarHBondContact O-CD2 3.41Å; P254-F258 WeakPolarHBondContact O-CG 3.48Å; P254-F258 PolarHBondContact O-N 2.99Å; V255-F258 PolarHBondContact O-N 2.78Å; F258-R260 PolarHBondContact O-N 2.91Å; F258-S261 WeakPolarHBondContact O-CB 3.38Å; F258-S261 PolarHBondContact O-N 3.47Å; F258-L262 WeakPolarHBondContact O-CG 3.38Å; F258-L262 PolarHBondContact O-N 2.93Å
259	T	87.2	Confident	85.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-43.7	178.3	50.6	0	0	0	0	111.6	F49 V245 V255 A256 L262 A263	F49-T259 HydrophobicContact CD2-CG2 3.87Å; F49-T259 HydrophobicContact CE2-CG2 4.29Å; V245-T259 HydrophobicContact CG1-CG2 4.47Å; V245-T259 HydrophobicContact CG2-CG2 3.36Å; V255-T259 HydrophobicContact CG1-CG2 4.34Å; V255-T259 WeakPolarHBondContact O-CG2 3.38Å; V255-T259 PolarHBondContact O-N 2.92Å; V255-T259 VanDerWaalsContact O-N 3.1Å; V255-T259 PolarHBondContact O-OG1 3.29Å; A256-T259 PolarHBondContact O-OG1 2.88Å; A256-T259 VanDerWaalsContact O-OG1 3.09Å; T259-L262 PolarHBondContact O-N 3.24Å; T259-A263 PolarHBondContact O-N 3.06Å; T259-A263 VanDerWaalsContact O-N 3.09Å
260	R	87	Confident	86.6	Confident	133 Å²	133	43.3 Å²	43.3	50%	0.502	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-41	173.8	-168.3	174.9	-136.1	-179.4	5.6	112.8	A256 S257 F258 A263 N264	A256-R260 WeakPolarHBondContact O-CB 3.3Å; A256-R260 PolarHBondContact O-N 3.27Å; S257-R260 PolarHBondContact O-N 3.26Å; F258-R260 PolarHBondContact O-N 2.91Å; R260-A263 PolarHBondContact O-N 2.91Å; R260-N264 WeakPolarHBondContact O-CB 3.45Å; R260-N264 VanDerWaalsContact O-CG 3.23Å; R260-N264 PolarHBondContact O-N 2.86Å
261	S	90.8	Very high	87.6	Confident	54 Å²	54	42.7 Å²	42.7	38%	0.378	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-40.3	177.7	177	0	0	0	0	112.3	S257 F258 R265	S257-S261 VanDerWaalsContact O-CB 3.28Å; S257-S261 WeakPolarHBondContact O-CB 3.36Å; S257-S261 PolarHBondContact O-N 2.86Å; F258-S261 WeakPolarHBondContact O-CB 3.38Å; F258-S261 PolarHBondContact O-N 3.47Å; S261-R265 WeakPolarHBondContact O-CG 3.42Å; S261-R265 PolarHBondContact O-N 2.88Å; S261-R265 PolarHBondContact O-NE 3.37Å
262	L	93.6	Very high	88.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-50.5	174.2	-76	155.6	0	0	0	111.4	L47 F49 V237 A240 C243 F258 T259 N264 R265 G266 I267 V269	L47-L262 HydrophobicContact CD2-CD1 4.2Å; F49-L262 HydrophobicContact CE2-CD1 4.29Å; V237-L262 HydrophobicContact CG1-CD1 4.14Å; V237-L262 HydrophobicContact CG1-CD2 4.47Å; V237-L262 HydrophobicContact CG1-CG 4.08Å; A240-L262 HydrophobicContact CB-CD2 4.06Å; C243-L262 HydrophobicContact CB-CD1 3.8Å; F258-L262 WeakPolarHBondContact O-CG 3.38Å; F258-L262 PolarHBondContact O-N 2.93Å; T259-L262 PolarHBondContact O-N 3.24Å; L262-N264 VanDerWaalsContact C-N 3.32Å; L262-N264 PolarHBondContact O-N 3.26Å; L262-R265 PolarHBondContact O-N 2.88Å; L262-G266 PolarHBondContact O-N 2.89Å; L262-I267 HydrophobicContact CB-CB 4.28Å; L262-I267 HydrophobicContact CD2-CB 4.04Å; L262-I267 HydrophobicContact CD2-CG1 4.15Å; L262-I267 HydrophobicContact CD2-CG2 3.83Å; L262-I267 WeakPolarHBondContact O-CB 3.43Å; L262-I267 PolarHBondContact O-N 3.36Å; L262-I267 VanDerWaalsContact O-N 3.13Å; L262-V269 HydrophobicContact CB-CG2 3.85Å
263	A	91.6	Very high	89.9	Confident	24 Å²	24	39.3 Å²	39.3	20%	0.198	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-42.9	178.6	0	0	0	0	0	112.1	T259 R260 R265 G266 V269 L283	T259-A263 PolarHBondContact O-N 3.06Å; T259-A263 VanDerWaalsContact O-N 3.09Å; R260-A263 PolarHBondContact O-N 2.91Å; A263-R265 PolarHBondContact O-N 2.72Å; A263-G266 PolarHBondContact O-N 2.81Å; A263-V269 HydrophobicContact CB-CG2 4.18Å; A263-L283 HydrophobicContact CB-CD2 4.41Å
264	N	90	Very high	90.7	Very high	135 Å²	135	36.2 Å²	36.2	72%	0.722	21%	0.205	S	C	*	.	H	α-helix	trans	-64.9	-23.9	177.6	-73.5	-6.3	0	0	0	113.7	R260 L262 G266	R260-N264 WeakPolarHBondContact O-CB 3.45Å; R260-N264 VanDerWaalsContact O-CG 3.23Å; R260-N264 PolarHBondContact O-N 2.86Å; L262-N264 VanDerWaalsContact C-N 3.32Å; L262-N264 PolarHBondContact O-N 3.26Å; N264-G266 VanDerWaalsContact C-N 3.26Å
265	R	93.1	Very high	91.1	Very high	109 Å²	109	41.8 Å²	41.8	41%	0.411	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	1.1	173.5	-72.3	-175.4	-67.9	156.5	-2.2	113.2	V237 Q238 S261 L262 A263 I267	V237-R265 PolarHBondContact O-NH2 3.21Å; Q238-R265 PolarHBondContact O-NH1 2.97Å; Q238-R265 VanDerWaalsContact O-NH1 3.1Å; S261-R265 WeakPolarHBondContact O-CG 3.42Å; S261-R265 PolarHBondContact O-N 2.88Å; S261-R265 PolarHBondContact O-NE 3.37Å; L262-R265 PolarHBondContact O-N 2.88Å; A263-R265 PolarHBondContact O-N 2.72Å; R265-I267 HydrophobicContact CB-CG1 4.16Å; R265-I267 PolarHBondContact O-N 3Å
266	G	93.6	Very high	91.7	Very high	62 Å²	62	44.4 Å²	44.4	64%	0.639	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	11.9	-174.8	0	0	0	0	0	113.9	L262 A263 N264	L262-G266 PolarHBondContact O-N 2.89Å; A263-G266 PolarHBondContact O-N 2.81Å; N264-G266 VanDerWaalsContact C-N 3.26Å
267	I	96.2	Very high	92	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.195	24%	0.244	C	C	.	.			trans	-73	128.9	174	-59.9	-55.2	0	0	0	108.7	D241 L262 R265 V269	D241-I267 VanDerWaalsContact C-CG2 3.49Å; D241-I267 WeakPolarHBondContact O-CG2 3.28Å; L262-I267 HydrophobicContact CB-CB 4.28Å; L262-I267 HydrophobicContact CD2-CB 4.04Å; L262-I267 HydrophobicContact CD2-CG1 4.15Å; L262-I267 HydrophobicContact CD2-CG2 3.83Å; L262-I267 WeakPolarHBondContact O-CB 3.43Å; L262-I267 PolarHBondContact O-N 3.36Å; L262-I267 VanDerWaalsContact O-N 3.13Å; R265-I267 HydrophobicContact CB-CG1 4.16Å; R265-I267 PolarHBondContact O-N 3Å; I267-V269 WeakPolarHBondContact O-CG2 3.48Å; I267-V269 PolarHBondContact O-N 2.96Å
268	P	95.7	Very high	91.9	Very high	24 Å²	24	46.8 Å²	46.8	16%	0.156	26%	0.26	C	S	.	.			trans	-59.4	122.5	177.3	-26.3	36	0	0	0	111.8	V39 V242 C243 Y285	V39-P268 HydrophobicContact CG1-CB 3.89Å; V39-P268 HydrophobicContact CG1-CG 3.87Å; V242-P268 HydrophobicContact CG2-CB 4.38Å; C243-P268 PolarHBondContact N-O 2.91Å; P268-Y285 HydrophobicContact CB-CE2 4.2Å
269	V	95.3	Very high	91.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.4	174.3	-170.4	0	0	0	0	109.1	C243 V245 L262 A263 I267 L283 Q284 Y285	C243-V269 HydrophobicContact CB-CB 4.47Å; C243-V269 HydrophobicContact CB-CG1 4.16Å; C243-V269 HydrophobicContact CB-CG2 4.13Å; C243-V269 CarbonylContact O-C 3.57Å; C243-V269 WeakPolarHBondContact O-CA 3.46Å; V245-V269 HydrophobicContact CG2-CG1 3.82Å; L262-V269 HydrophobicContact CB-CG2 3.85Å; A263-V269 HydrophobicContact CB-CG2 4.18Å; I267-V269 WeakPolarHBondContact O-CG2 3.48Å; I267-V269 PolarHBondContact O-N 2.96Å; V269-L283 HydrophobicContact CB-CD2 4.02Å; V269-L283 HydrophobicContact CG1-CD1 4.37Å; V269-L283 HydrophobicContact CG1-CD2 3.86Å; V269-Q284 PolarHBondContact O-N 2.78Å; V269-Y285 PolarHBondContact O-N 2.96Å; V269-Y285 VanDerWaalsContact O-N 3.11Å
270	A	95.6	Very high	91.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125	174.2	0	0	0	0	0	111.4	F36 C243 L244 V245 I272 Y285 F287	F36-A270 HydrophobicContact CD1-CB 4Å; F36-A270 HydrophobicContact CD2-CB 4.05Å; F36-A270 HydrophobicContact CE1-CB 3.53Å; F36-A270 HydrophobicContact CE2-CB 3.59Å; F36-A270 HydrophobicContact CG-CB 4.25Å; F36-A270 HydrophobicContact CZ-CB 3.31Å; C243-A270 PolarHBondContact O-N 3.34Å; L244-A270 CarbonylContact C-O 3.49Å; L244-A270 WeakPolarHBondContact CA-O 3.33Å; V245-A270 PolarHBondContact N-O 3.06Å; A270-I272 HydrophobicContact CB-CD1 4.33Å; A270-Y285 WeakPolarHBondContact CA-O 3.42Å; A270-Y285 HydrophobicContact CB-CG 4.5Å; A270-F287 HydrophobicContact CB-CD2 4.28Å; A270-F287 HydrophobicContact CB-CE2 3.92Å
271	E	95.4	Very high	91.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131	169.9	-174	177.6	-121.4	0	0	110.8	V245 N273 T277 T280 L283 Y285 H286 F287	V245-E271 WeakPolarHBondContact O-CA 3.46Å; E271-N273 HydrophobicContact CG-CB 4.05Å; E271-T277 WeakPolarHBondContact OE1-CB 3.32Å; E271-T277 WeakPolarHBondContact OE1-CG2 3.5Å; E271-T277 PolarHBondContact OE1-OG1 3.33Å; E271-T280 WeakPolarHBondContact OE2-CB 3.2Å; E271-T280 WeakPolarHBondContact OE2-CG2 3.13Å; E271-T280 PolarHBondContact OE2-OG1 3.34Å; E271-L283 HydrophobicContact CB-CD1 3.67Å; E271-L283 HydrophobicContact CG-CD1 4.4Å; E271-Y285 PolarHBondContact N-O 3.15Å; E271-H286 CarbonylContact O-C 3.22Å; E271-H286 WeakPolarHBondContact O-CA 3.47Å; E271-H286 IonicContact OE2-CE1 3.81Å; E271-H286 PolarHBondContact OE2-CE1 3.48Å; E271-H286 IonicContact OE2-CG 2.72Å; E271-H286 IonicContact OE2-ND1 3.35Å; E271-H286 PolarHBondContact OE2-ND1 3.48Å; E271-F287 PolarHBondContact O-N 3.05Å
272	I	96.4	Very high	91.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	101.6	172.6	-61	89.1	0	0	0	106.5	L244 V245 V246 G247 A270 F287 V294 L295 L298	L244-I272 HydrophobicContact CB-CD1 4.15Å; L244-I272 HydrophobicContact CD2-CD1 3.96Å; L244-I272 HydrophobicContact CG-CD1 4.47Å; V245-I272 PolarHBondContact O-N 3.5Å; V246-I272 WeakPolarHBondContact CA-O 3.25Å; V246-I272 HydrophobicContact CG1-CB 4.44Å; V246-I272 HydrophobicContact CG2-CD1 4.24Å; G247-I272 PolarHBondContact N-O 3.37Å; A270-I272 HydrophobicContact CB-CD1 4.33Å; I272-F287 HydrophobicContact CD1-CD2 4.46Å; I272-F287 HydrophobicContact CG1-CB 4.26Å; I272-F287 HydrophobicContact CG1-CD2 4.13Å; I272-V294 HydrophobicContact CB-CG1 4.43Å; I272-V294 HydrophobicContact CG1-CG1 3.84Å; I272-V294 HydrophobicContact CG2-CB 3.72Å; I272-V294 HydrophobicContact CG2-CG1 3.73Å; I272-V294 HydrophobicContact CG2-CG2 4.2Å; I272-L295 HydrophobicContact CD1-CD2 4.43Å; I272-L295 HydrophobicContact CG1-CD2 4.47Å; I272-L298 HydrophobicContact CD1-CD1 4.32Å; I272-L298 HydrophobicContact CG1-CD1 4.32Å
273	N	94.5	Very high	91.5	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	151.8	-176.4	-157.2	-5.1	0	0	0	111.2	A248 E271 E275 T277 F287 Q288 G289	A248-N273 PolarHBondContact O-ND2 3.12Å; A248-N273 VanDerWaalsContact O-ND2 3.1Å; E271-N273 HydrophobicContact CG-CB 4.05Å; N273-E275 VanDerWaalsContact C-N 3.26Å; N273-E275 WeakPolarHBondContact CB-O 3.23Å; N273-E275 PolarHBondContact O-N 3.37Å; N273-T277 WeakPolarHBondContact ND2-CG2 3.34Å; N273-F287 PolarHBondContact N-O 3.21Å; N273-Q288 VanDerWaalsContact O-CA 3.32Å; N273-Q288 WeakPolarHBondContact O-CA 3.34Å; N273-G289 CarbonylContact C-O 3.58Å; N273-G289 VanDerWaalsContact C-O 3.27Å; N273-G289 PolarHBondContact O-N 3.22Å
274	V	93	Very high	91.5	Very high	65 Å²	65	46.3 Å²	46.3	39%	0.394	26%	0.258	S	S	.	.	S	Bend	trans	-70.4	-30	179	-179.8	0	0	0	0	110.9	Q288 G289 K290	V274-Q288 WeakPolarHBondContact O-CG 3.46Å; V274-Q288 PolarHBondContact O-NE2 3.24Å; V274-G289 PolarHBondContact N-O 3.05Å; V274-K290 HydrophobicContact CG2-CG 4.31Å
275	E	89.5	Confident	91.8	Very high	120 Å²	120	40.4 Å²	40.4	56%	0.561	23%	0.226	S	C	*	.	S	Bend	trans	-123.7	151.6	-178	-66	170.2	-159.3	0	0	110.4	N273	N273-E275 VanDerWaalsContact C-N 3.26Å; N273-E275 WeakPolarHBondContact CB-O 3.23Å; N273-E275 PolarHBondContact O-N 3.37Å
276	V	90.1	Very high	91.9	Very high	58 Å²	58	35.2 Å²	35.2	35%	0.352	21%	0.206	S	C	.	.			trans	-66.8	137.9	168.8	175.7	0	0	0	0	109.1	T280	V276-T280 HydrophobicContact CG1-CG2 4Å; V276-T280 WeakPolarHBondContact CG1-OG1 3.38Å
277	T	87.6	Confident	92	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.055	18%	0.177	C	C	.	.			trans	-106.5	165.7	177.8	78	0	0	0	0	111.3	E271 N273 A279 T280	E271-T277 WeakPolarHBondContact OE1-CB 3.32Å; E271-T277 WeakPolarHBondContact OE1-CG2 3.5Å; E271-T277 PolarHBondContact OE1-OG1 3.33Å; N273-T277 WeakPolarHBondContact ND2-CG2 3.34Å; T277-A279 PolarHBondContact O-N 3.49Å; T277-A279 PolarHBondContact OG1-N 3.44Å; T277-T280 PolarHBondContact N-OG1 3.03Å; T277-T280 PolarHBondContact O-N 3.41Å; T277-T280 VanDerWaalsContact O-N 3.11Å; T277-T280 PolarHBondContact O-OG1 2.99Å; T277-T280 VanDerWaalsContact O-OG1 3.12Å; T277-T280 PolarHBondContact OG1-N 3.37Å; T277-T280 PolarHBondContact OG1-OG1 3.22Å
278	P	84.8	Confident	92	Very high	95 Å²	95	35.9 Å²	35.9	62%	0.617	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.4	171.8	-26	36.1	0	0	0	113.9	H281	P278-H281 PolarHBondContact O-CE1 3.07Å; P278-H281 PolarHBondContact O-ND1 3.03Å; P278-H281 VanDerWaalsContact O-ND1 3.11Å
279	A	86.4	Confident	91.9	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-18.1	179.2	0	0	0	0	0	113.5	T277 H281 L282 L283	T277-A279 PolarHBondContact O-N 3.49Å; T277-A279 PolarHBondContact OG1-N 3.44Å; A279-H281 VanDerWaalsContact C-N 3.3Å; A279-H281 PolarHBondContact O-N 3.36Å; A279-H281 VanDerWaalsContact O-N 3.13Å; A279-L282 VanDerWaalsContact O-CB 3.3Å; A279-L282 WeakPolarHBondContact O-CB 3.43Å; A279-L282 PolarHBondContact O-N 3.21Å; A279-L283 WeakPolarHBondContact O-CG 3.45Å
280	T	90	Very high	92	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-50.2	-46.7	-169.7	-56.3	0	0	0	0	113.2	P27 E271 V276 T277 L282 L283 H286	P27-T280 HydrophobicContact CG-CG2 3.77Å; P27-T280 WeakPolarHBondContact CG-O 3.3Å; E271-T280 WeakPolarHBondContact OE2-CB 3.2Å; E271-T280 WeakPolarHBondContact OE2-CG2 3.13Å; E271-T280 PolarHBondContact OE2-OG1 3.34Å; V276-T280 HydrophobicContact CG1-CG2 4Å; V276-T280 WeakPolarHBondContact CG1-OG1 3.38Å; T277-T280 PolarHBondContact N-OG1 3.03Å; T277-T280 PolarHBondContact O-N 3.41Å; T277-T280 VanDerWaalsContact O-N 3.11Å; T277-T280 PolarHBondContact O-OG1 2.99Å; T277-T280 VanDerWaalsContact O-OG1 3.12Å; T277-T280 PolarHBondContact OG1-N 3.37Å; T277-T280 PolarHBondContact OG1-OG1 3.22Å; T280-L282 PolarHBondContact O-N 3.45Å; T280-L282 VanDerWaalsContact O-N 3.08Å; T280-L283 PolarHBondContact O-N 2.99Å; T280-H286 HydrophobicContact CG2-CB 3.9Å; T280-H286 WeakPolarHBondContact CG2-ND1 3.47Å
281	H	87.6	Confident	92.1	Very high	67 Å²	67	41.3 Å²	41.3	31%	0.31	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-63.3	-15.1	-178.8	68.8	-84.1	0	0	0	114.5	Q25 P278 A279	Q25-H281 WeakPolarHBondContact O-CB 3.2Å; P278-H281 PolarHBondContact O-CE1 3.07Å; P278-H281 PolarHBondContact O-ND1 3.03Å; P278-H281 VanDerWaalsContact O-ND1 3.11Å; A279-H281 VanDerWaalsContact C-N 3.3Å; A279-H281 PolarHBondContact O-N 3.36Å; A279-H281 VanDerWaalsContact O-N 3.13Å
282	L	85.6	Confident	92.2	Very high	74 Å²	74	41.6 Å²	41.6	39%	0.387	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-90.9	-10.2	177.2	-56	174.2	0	0	0	112.7	A279 T280	A279-L282 VanDerWaalsContact O-CB 3.3Å; A279-L282 WeakPolarHBondContact O-CB 3.43Å; A279-L282 PolarHBondContact O-N 3.21Å; T280-L282 PolarHBondContact O-N 3.45Å; T280-L282 VanDerWaalsContact O-N 3.08Å
283	L	89.8	Confident	92.2	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.047	25%	0.245	C	C	.	.	S	Bend	trans	-99.6	154.7	-172	-50.5	179.9	0	0	0	110.7	P27 A263 V269 E271 A279 T280	P27-L283 WeakPolarHBondContact CB-O 3.42Å; A263-L283 HydrophobicContact CB-CD2 4.41Å; V269-L283 HydrophobicContact CB-CD2 4.02Å; V269-L283 HydrophobicContact CG1-CD1 4.37Å; V269-L283 HydrophobicContact CG1-CD2 3.86Å; E271-L283 HydrophobicContact CB-CD1 3.67Å; E271-L283 HydrophobicContact CG-CD1 4.4Å; A279-L283 WeakPolarHBondContact O-CG 3.45Å; T280-L283 PolarHBondContact O-N 2.99Å
284	Q	92.2	Very high	92.4	Very high	66 Å²	66	45.4 Å²	45.4	31%	0.308	24%	0.243	S	C	.	.	S	Bend	trans	-74.8	-43.6	-178.3	-175.4	175.2	-10.9	0	0	111.7	P27 D29 V269	P27-Q284 WeakPolarHBondContact CB-O 2.8Å; D29-Q284 PolarHBondContact N-O 2.9Å; D29-Q284 VanDerWaalsContact N-O 3.12Å; D29-Q284 PolarHBondContact OD2-NE2 3.35Å; V269-Q284 PolarHBondContact O-N 2.78Å
285	Y	95.3	Very high	92.7	Very high	11 Å²	11	42.3 Å²	42.3	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.3	-178.2	-56.9	-92.4	0	0	0	110.9	D29 N32 F36 V39 P268 V269 A270 E271 F287	D29-Y285 HydrophobicContact CB-CD1 3.39Å; D29-Y285 HydrophobicContact CB-CE1 3.41Å; D29-Y285 VanDerWaalsContact CB-CE1 3.41Å; D29-Y285 HydrophobicContact CB-CG 4.2Å; N32-Y285 HydrophobicContact CB-CD1 4.46Å; N32-Y285 HydrophobicContact CB-CE1 4.38Å; F36-Y285 HydrophobicContact CB-CD1 3.9Å; F36-Y285 HydrophobicContact CB-CE1 3.9Å; F36-Y285 HydrophobicContact CB-CG 4.26Å; F36-Y285 HydrophobicContact CD2-CD1 4.36Å; F36-Y285 AromaticContact CD2-CD2 3.55Å; F36-Y285 HydrophobicContact CD2-CD2 3.55Å; F36-Y285 HydrophobicContact CD2-CE1 4.43Å; F36-Y285 AromaticContact CD2-CE2 3.66Å; F36-Y285 HydrophobicContact CD2-CE2 3.66Å; F36-Y285 AromaticContact CD2-CG 3.94Å; F36-Y285 HydrophobicContact CD2-CG 3.94Å; F36-Y285 HydrophobicContact CE2-CD2 4.12Å; F36-Y285 HydrophobicContact CE2-CE2 4.38Å; F36-Y285 HydrophobicContact CG-CD1 4.43Å; F36-Y285 HydrophobicContact CG-CD2 4.35Å; F36-Y285 HydrophobicContact CG-CG 4.3Å; V39-Y285 HydrophobicContact CG2-CE2 4.46Å; P268-Y285 HydrophobicContact CB-CE2 4.2Å; V269-Y285 PolarHBondContact O-N 2.96Å; V269-Y285 VanDerWaalsContact O-N 3.11Å; A270-Y285 WeakPolarHBondContact CA-O 3.42Å; A270-Y285 HydrophobicContact CB-CG 4.5Å; E271-Y285 PolarHBondContact N-O 3.15Å; Y285-F287 HydrophobicContact CD1-CZ 4.23Å
286	H	95.6	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.5	165.9	176	92.4	0	0	0	109.4	P27 Y30 S31 E271 T280	P27-H286 HydrophobicContact CB-CB 4.43Å; P27-H286 HydrophobicContact CG-CB 3.7Å; Y30-H286 HydrophobicContact CD2-CB 4.2Å; Y30-H286 AromaticContact CD2-CD2 3.98Å; Y30-H286 HydrophobicContact CE2-CB 4.31Å; Y30-H286 AromaticContact CE2-CD2 3.26Å; Y30-H286 WeakPolarHBondContact CE2-CD2 3.41Å; Y30-H286 AromaticContact CZ-CD2 3.7Å; S31-H286 PolarHBondContact N-O 2.9Å; E271-H286 CarbonylContact O-C 3.22Å; E271-H286 WeakPolarHBondContact O-CA 3.47Å; E271-H286 IonicContact OE2-CE1 3.81Å; E271-H286 PolarHBondContact OE2-CE1 3.48Å; E271-H286 IonicContact OE2-CG 2.72Å; E271-H286 IonicContact OE2-ND1 3.35Å; E271-H286 PolarHBondContact OE2-ND1 3.48Å; T280-H286 HydrophobicContact CG2-CB 3.9Å; T280-H286 WeakPolarHBondContact CG2-ND1 3.47Å
287	F	95.9	Very high	93.4	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	102.8	175.9	-58.9	-73.1	0	0	0	108	I33 F36 A270 E271 I272 N273 Y285 G289 V294 L298	I33-F287 HydrophobicContact CB-CE1 4.45Å; I33-F287 HydrophobicContact CG1-CD1 4.05Å; I33-F287 HydrophobicContact CG1-CE1 3.74Å; F36-F287 HydrophobicContact CB-CE2 4.04Å; F36-F287 HydrophobicContact CB-CZ 3.65Å; F36-F287 AromaticContact CD1-CE2 3.76Å; F36-F287 HydrophobicContact CD1-CE2 3.76Å; F36-F287 HydrophobicContact CD1-CZ 4.19Å; F36-F287 HydrophobicContact CE1-CE2 4.5Å; F36-F287 AromaticContact CG-CE2 3.99Å; F36-F287 HydrophobicContact CG-CE2 3.99Å; F36-F287 HydrophobicContact CG-CZ 4.13Å; A270-F287 HydrophobicContact CB-CD2 4.28Å; A270-F287 HydrophobicContact CB-CE2 3.92Å; E271-F287 PolarHBondContact O-N 3.05Å; I272-F287 HydrophobicContact CD1-CD2 4.46Å; I272-F287 HydrophobicContact CG1-CB 4.26Å; I272-F287 HydrophobicContact CG1-CD2 4.13Å; N273-F287 PolarHBondContact N-O 3.21Å; Y285-F287 HydrophobicContact CD1-CZ 4.23Å; F287-G289 PolarHBondContact O-N 3.49Å; F287-V294 HydrophobicContact CB-CG1 3.63Å; F287-V294 HydrophobicContact CG-CG1 4.13Å; F287-L298 HydrophobicContact CD2-CD1 4.31Å; F287-L298 HydrophobicContact CE2-CD1 4.32Å; F287-L298 HydrophobicContact CE2-CD2 4.27Å; F287-L298 HydrophobicContact CZ-CD2 4.17Å
288	Q	95	Very high	93.9	Very high	108 Å²	108	40.3 Å²	40.3	51%	0.505	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	123.8	179.2	-167.8	174.1	4.7	0	0	110	Y30 N273 V274	Y30-Q288 WeakPolarHBondContact OH-CB 3.37Å; Y30-Q288 PolarHBondContact OH-OE1 3.46Å; N273-Q288 VanDerWaalsContact O-CA 3.32Å; N273-Q288 WeakPolarHBondContact O-CA 3.34Å; V274-Q288 WeakPolarHBondContact O-CG 3.46Å; V274-Q288 PolarHBondContact O-NE2 3.24Å
289	G	95.1	Very high	94.5	Very high	20 Å²	20	35.8 Å²	35.8	21%	0.206	18%	0.181	C	C	.	.	S	Bend	trans	153.1	-179.7	176.3	0	0	0	0	0	114.2	N273 V274 F287	N273-G289 CarbonylContact C-O 3.58Å; N273-G289 VanDerWaalsContact C-O 3.27Å; N273-G289 PolarHBondContact O-N 3.22Å; V274-G289 PolarHBondContact N-O 3.05Å; F287-G289 PolarHBondContact O-N 3.49Å
290	K	96.3	Very high	94.8	Very high	115 Å²	115	39 Å²	39	50%	0.5	20%	0.196	S	C	.	.			trans	-69.9	142.2	172.7	-75.3	177.5	-176.7	175.9	0	110.3	E57 V274 G292 D293 V294	E57-K290 HydrophobicContact CG-CB 4.39Å; E57-K290 HydrophobicContact CG-CD 4.2Å; E57-K290 HydrophobicContact CG-CG 4.33Å; E57-K290 WeakPolarHBondContact OE1-CB 3.28Å; V274-K290 HydrophobicContact CG2-CG 4.31Å; K290-G292 VanDerWaalsContact C-N 3.27Å; K290-G292 PolarHBondContact O-N 3.17Å; K290-D293 HydrophobicContact CB-CB 4.47Å; K290-D293 PolarHBondContact O-N 3.43Å; K290-D293 VanDerWaalsContact O-N 3.13Å; K290-V294 WeakPolarHBondContact O-CG2 3.41Å; K290-V294 PolarHBondContact O-N 2.83Å; K290-V294 VanDerWaalsContact O-N 3.11Å
291	S	97.2	Very high	94.9	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-36.2	-179.4	62.2	0	0	0	0	112.7	I54 E57 D293 V294 L295	I54-S291 WeakPolarHBondContact CG1-OG 3.26Å; E57-S291 PolarHBondContact OE1-N 3.07Å; E57-S291 PolarHBondContact OE1-OG 3.1Å; S291-D293 VanDerWaalsContact C-N 3.25Å; S291-D293 PolarHBondContact O-N 3.39Å; S291-V294 PolarHBondContact O-N 3.31Å; S291-L295 VanDerWaalsContact O-CB 3.3Å; S291-L295 WeakPolarHBondContact O-CB 3.2Å; S291-L295 WeakPolarHBondContact O-CG 3.24Å; S291-L295 PolarHBondContact O-N 2.99Å
292	G	97.9	Very high	95.3	Very high	6 Å²	6	41.5 Å²	41.5	6%	0.062	22%	0.221	C	C	.	.	H	α-helix	trans	-67.8	-20.8	177.1	0	0	0	0	0	114.5	E57 A109 K290 P296	E57-G292 PolarHBondContact OE1-N 3.48Å; E57-G292 WeakPolarHBondContact OE2-CA 3.06Å; E57-G292 PolarHBondContact OE2-N 3.2Å; A109-G292 WeakPolarHBondContact CB-O 3.44Å; K290-G292 VanDerWaalsContact C-N 3.27Å; K290-G292 PolarHBondContact O-N 3.17Å; G292-P296 VanDerWaalsContact O-CD 3.28Å; G292-P296 WeakPolarHBondContact O-CD 3.36Å; G292-P296 VanDerWaalsContact O-CG 3.25Å; G292-P296 WeakPolarHBondContact O-CG 3.3Å
293	D	97.7	Very high	95.7	Very high	90 Å²	90	43 Å²	43	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-93.3	-33.1	176.2	-62.8	-35.9	0	0	0	112.3	K290 S291 K297	K290-D293 HydrophobicContact CB-CB 4.47Å; K290-D293 PolarHBondContact O-N 3.43Å; K290-D293 VanDerWaalsContact O-N 3.13Å; S291-D293 VanDerWaalsContact C-N 3.25Å; S291-D293 PolarHBondContact O-N 3.39Å; D293-K297 VanDerWaalsContact O-CD 3.32Å; D293-K297 WeakPolarHBondContact O-CD 3.29Å; D293-K297 VanDerWaalsContact O-CE 3.28Å; D293-K297 WeakPolarHBondContact O-CE 3.36Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å
294	V	97.9	Very high	96	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.085	24%	0.238	C	C	.	.	H	α-helix	trans	-88.2	-46.5	-173.1	175.4	0	0	0	0	111.9	I272 F287 K290 S291 K297 L298	I272-V294 HydrophobicContact CB-CG1 4.43Å; I272-V294 HydrophobicContact CG1-CG1 3.84Å; I272-V294 HydrophobicContact CG2-CB 3.72Å; I272-V294 HydrophobicContact CG2-CG1 3.73Å; I272-V294 HydrophobicContact CG2-CG2 4.2Å; F287-V294 HydrophobicContact CB-CG1 3.63Å; F287-V294 HydrophobicContact CG-CG1 4.13Å; K290-V294 WeakPolarHBondContact O-CG2 3.41Å; K290-V294 PolarHBondContact O-N 2.83Å; K290-V294 VanDerWaalsContact O-N 3.11Å; S291-V294 PolarHBondContact O-N 3.31Å; V294-K297 WeakPolarHBondContact O-CB 3.21Å; V294-K297 PolarHBondContact O-N 2.89Å; V294-K297 VanDerWaalsContact O-N 3.12Å; V294-L298 HydrophobicContact CG1-CD1 4.13Å; V294-L298 HydrophobicContact CG1-CG 4.39Å; V294-L298 PolarHBondContact O-N 3Å
295	L	98.5	Very high	95.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-42.5	-173.7	-68.2	171	0	0	0	113.3	I54 G110 A113 L114 L244 V246 I272 S291 K297 L298 F299	I54-L295 HydrophobicContact CD1-CD1 4.45Å; G110-L295 WeakPolarHBondContact O-CD1 3.37Å; A113-L295 HydrophobicContact CB-CB 3.79Å; L114-L295 HydrophobicContact CD1-CD1 4.26Å; L114-L295 HydrophobicContact CD2-CD1 4.24Å; L114-L295 HydrophobicContact CD2-CD2 4.2Å; L114-L295 HydrophobicContact CG-CD1 4Å; L244-L295 HydrophobicContact CD2-CD2 4.1Å; V246-L295 HydrophobicContact CG1-CD1 3.91Å; V246-L295 HydrophobicContact CG2-CD1 4.44Å; V246-L295 HydrophobicContact CG2-CD2 4.13Å; I272-L295 HydrophobicContact CD1-CD2 4.43Å; I272-L295 HydrophobicContact CG1-CD2 4.47Å; S291-L295 VanDerWaalsContact O-CB 3.3Å; S291-L295 WeakPolarHBondContact O-CB 3.2Å; S291-L295 WeakPolarHBondContact O-CG 3.24Å; S291-L295 PolarHBondContact O-N 2.99Å; L295-K297 VanDerWaalsContact C-N 3.28Å; L295-K297 PolarHBondContact O-N 3.4Å; L295-L298 PolarHBondContact O-N 2.82Å; L295-F299 HydrophobicContact CD2-CE2 4.07Å; L295-F299 WeakPolarHBondContact O-CD2 3.49Å; L295-F299 PolarHBondContact O-N 2.66Å; L295-F299 VanDerWaalsContact O-N 3.07Å
296	P	98.2	Very high	95.9	Very high	23 Å²	23	48.2 Å²	48.2	15%	0.149	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-41.1	172.9	-26.5	36.2	0	0	0	112.4	A109 A113 G292 L298 F299 D300	A109-P296 HydrophobicContact CB-CG 4.3Å; A113-P296 HydrophobicContact CB-CG 4.15Å; G292-P296 VanDerWaalsContact O-CD 3.28Å; G292-P296 WeakPolarHBondContact O-CD 3.36Å; G292-P296 VanDerWaalsContact O-CG 3.25Å; G292-P296 WeakPolarHBondContact O-CG 3.3Å; P296-L298 PolarHBondContact O-N 3.41Å; P296-F299 PolarHBondContact O-N 3.49Å; P296-D300 WeakPolarHBondContact CB-OD2 3.13Å; P296-D300 WeakPolarHBondContact O-CA 3.48Å; P296-D300 WeakPolarHBondContact O-CB 3.15Å; P296-D300 PolarHBondContact O-N 3.2Å
297	K	97.5	Very high	95.9	Very high	122 Å²	122	50.7 Å²	50.7	53%	0.53	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-26.8	177.2	-62.7	173.3	-174.7	170	0	113.4	I33 R37 D293 V294 L295	I33-K297 HydrophobicContact CD1-CB 4.37Å; I33-K297 HydrophobicContact CD1-CD 4.3Å; R37-K297 PolarHBondContact NH1-O 3.09Å; D293-K297 VanDerWaalsContact O-CD 3.32Å; D293-K297 WeakPolarHBondContact O-CD 3.29Å; D293-K297 VanDerWaalsContact O-CE 3.28Å; D293-K297 WeakPolarHBondContact O-CE 3.36Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å; V294-K297 WeakPolarHBondContact O-CB 3.21Å; V294-K297 PolarHBondContact O-N 2.89Å; V294-K297 VanDerWaalsContact O-N 3.12Å; L295-K297 VanDerWaalsContact C-N 3.28Å; L295-K297 PolarHBondContact O-N 3.4Å
298	L	97.8	Very high	95.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-81.5	-36.9	177.4	-65.7	-179.9	0	0	0	112.6	I33 F36 R37 L40 L244 I272 F287 V294 L295 P296	I33-L298 HydrophobicContact CG1-CD2 4.47Å; I33-L298 HydrophobicContact CG2-CD2 4.27Å; F36-L298 HydrophobicContact CD1-CD1 4Å; F36-L298 HydrophobicContact CD1-CD2 3.94Å; F36-L298 HydrophobicContact CE1-CD1 4.13Å; R37-L298 PolarHBondContact NH1-O 3.41Å; R37-L298 VanDerWaalsContact NH1-O 3.16Å; L40-L298 HydrophobicContact CD1-CB 4.12Å; L244-L298 HydrophobicContact CD2-CD1 4.28Å; I272-L298 HydrophobicContact CD1-CD1 4.32Å; I272-L298 HydrophobicContact CG1-CD1 4.32Å; F287-L298 HydrophobicContact CD2-CD1 4.31Å; F287-L298 HydrophobicContact CE2-CD1 4.32Å; F287-L298 HydrophobicContact CE2-CD2 4.27Å; F287-L298 HydrophobicContact CZ-CD2 4.17Å; V294-L298 HydrophobicContact CG1-CD1 4.13Å; V294-L298 HydrophobicContact CG1-CG 4.39Å; V294-L298 PolarHBondContact O-N 3Å; L295-L298 PolarHBondContact O-N 2.82Å; P296-L298 PolarHBondContact O-N 3.41Å
299	F	97.7	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-107.4	-29.1	-171.2	-68.1	-66.2	0	0	0	114.9	L40 L114 A117 Y121 F128 L244 L295 P296 S301 L302	L40-F299 HydrophobicContact CD1-CD1 4.36Å; L40-F299 HydrophobicContact CD1-CE1 3.89Å; L40-F299 HydrophobicContact CD1-CZ 4.21Å; L40-F299 HydrophobicContact CD2-CE1 4.08Å; L40-F299 HydrophobicContact CD2-CZ 4.3Å; L114-F299 HydrophobicContact CD2-CE2 4.04Å; A117-F299 HydrophobicContact CB-CB 4.21Å; A117-F299 HydrophobicContact CB-CD1 3.46Å; A117-F299 VanDerWaalsContact CB-CD1 3.46Å; A117-F299 HydrophobicContact CB-CD2 4.11Å; A117-F299 HydrophobicContact CB-CE1 3.74Å; A117-F299 HydrophobicContact CB-CE2 4.35Å; A117-F299 HydrophobicContact CB-CG 3.67Å; A117-F299 HydrophobicContact CB-CZ 4.18Å; Y121-F299 HydrophobicContact CE2-CE1 4.35Å; F128-F299 AromaticContact CE2-CE1 3.99Å; F128-F299 HydrophobicContact CE2-CE1 3.99Å; F128-F299 AromaticContact CE2-CZ 3.91Å; F128-F299 HydrophobicContact CE2-CZ 3.91Å; F128-F299 HydrophobicContact CZ-CZ 4.19Å; L244-F299 HydrophobicContact CD1-CZ 4.16Å; L244-F299 HydrophobicContact CD2-CE2 3.91Å; L244-F299 HydrophobicContact CD2-CZ 3.81Å; L295-F299 HydrophobicContact CD2-CE2 4.07Å; L295-F299 WeakPolarHBondContact O-CD2 3.49Å; L295-F299 PolarHBondContact O-N 2.66Å; L295-F299 VanDerWaalsContact O-N 3.07Å; P296-F299 PolarHBondContact O-N 3.49Å; F299-S301 PolarHBondContact O-N 2.87Å; F299-L302 HydrophobicContact CD1-CD2 4.1Å; F299-L302 WeakPolarHBondContact O-CB 3.39Å; F299-L302 PolarHBondContact O-N 3.41Å
300	D	93	Very high	96	Very high	81 Å²	81	51.8 Å²	51.8	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	132.7	-179.3	-66.1	-6.7	0	0	0	109.9	R37 P296 L302	R37-D300 PolarHBondContact NH1-O 2.72Å; R37-D300 PolarHBondContact NH2-O 2.76Å; P296-D300 WeakPolarHBondContact CB-OD2 3.13Å; P296-D300 WeakPolarHBondContact O-CA 3.48Å; P296-D300 WeakPolarHBondContact O-CB 3.15Å; P296-D300 PolarHBondContact O-N 3.2Å; D300-L302 PolarHBondContact O-N 3.49Å
301	S	91.5	Very high	96	Very high	114 Å²	114	47.6 Å²	47.6	80%	0.797	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	21.1	-176.6	-49.3	0	0	0	0	114.3	R37 F299 T303	R37-S301 PolarHBondContact NH2-O 2.9Å; F299-S301 PolarHBondContact O-N 2.87Å; S301-T303 PolarHBondContact O-N 3.42Å
302	L	95.3	Very high	95.9	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.042	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-64.7	129.1	171.6	-176	69.2	0	0	0	107.7	R37 L40 Q120 Y121 F299 D300 L304	R37-L302 HydrophobicContact CB-CD1 4.24Å; R37-L302 WeakPolarHBondContact O-CD1 3.29Å; L40-L302 HydrophobicContact CB-CD1 4.4Å; L40-L302 HydrophobicContact CB-CD2 3.81Å; Q120-L302 PolarHBondContact NE2-O 2.92Å; Y121-L302 HydrophobicContact CE2-CD2 4.36Å; F299-L302 HydrophobicContact CD1-CD2 4.1Å; F299-L302 WeakPolarHBondContact O-CB 3.39Å; F299-L302 PolarHBondContact O-N 3.41Å; D300-L302 PolarHBondContact O-N 3.49Å; L302-L304 HydrophobicContact CD2-CD2 3.91Å; L302-L304 HydrophobicContact CG-CD2 4.27Å
303	T	94.2	Very high	95.7	Very high	105 Å²	105	54.1 Å²	54.1	64%	0.644	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-100.6	127.2	171	-58.4	0	0	0	0	107.2	S41 S301	S41-T303 PolarHBondContact OG-O 2.84Å; S301-T303 PolarHBondContact O-N 3.42Å
304	L	95.8	Very high	95.6	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.141	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-83.5	128.3	175.8	-59	-177.9	0	0	0	108.9	Q120 Y121 C124 L302	Q120-L304 HydrophobicContact CG-CD1 4.01Å; Q120-L304 HydrophobicContact CG-CG 4.42Å; Y121-L304 HydrophobicContact CD1-CD1 4.13Å; Y121-L304 HydrophobicContact CD2-CD1 4.03Å; Y121-L304 HydrophobicContact CD2-CD2 4.34Å; Y121-L304 HydrophobicContact CE1-CD1 4.34Å; Y121-L304 HydrophobicContact CE1-CD2 3.91Å; Y121-L304 HydrophobicContact CE2-CD1 4.31Å; Y121-L304 HydrophobicContact CE2-CD2 3.79Å; Y121-L304 HydrophobicContact CG-CD1 3.97Å; C124-L304 HydrophobicContact CB-CD1 4.09Å; L302-L304 HydrophobicContact CD2-CD2 3.91Å; L302-L304 HydrophobicContact CG-CD2 4.27Å
305	T	89.4	Confident	95.4	Very high	119 Å²	119	54.5 Å²	54.5	73%	0.73	32%	0.315	S	S	*	.			trans	-118.5	0	-175.2	57.4	0	0	0	0	111.1	S41 R126	S41-T305 PolarHBondContact O-N 3.28Å; S41-T305 PolarHBondContact O-OG1 2.75Å; S41-T305 WeakPolarHBondContact OG-CG2 3.41Å; S41-T305 PolarHBondContact OG-OG1 3.43Å; R126-T305 PolarHBondContact NH2-O 3.02Å

Retrieved 305 of 305 residues in 459.6 ms (Link to these results)

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