A0A087YL74_POEFO Loading...

Dual specificity protein phosphatase

Dual specificity phosphatase able to dephosphorylate phosphotyrosine, phosphoserine and phosphothreonine residues within the same substrate, with a preference for phosphotyrosine as a substrate. Involved in the modulation of AMPK and MAPK1/2 signaling pathways. Dual specificity phosphatase able to dephosphorylate phosphotyrosine, phosphoserine and phosphothreonine residues, with a preference for phosphotyrosine as a substrate.

AlphaFold DB , UniProt , Accession A0A087YL74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	40	Very low	249 Å²	249	179.5 Å²	179.5	100%	1.227	88%	0.876	S	S	*	*				0	155.4	0	-83.4	-173.5	173.9	0	0	109.1
2	A	37.8	Very low	39.9	Very low	97 Å²	97	173.5 Å²	173.5	80%	0.802	87%	0.866	S	S	*	*			trans	83	82.5	-173.6	0	0	0	0	0	114.7
3	F	35.7	Very low	40	Very low	211 Å²	211	167.7 Å²	167.7	93%	0.925	85%	0.852	S	S	*	*				64	109.4	86.9	-106.1	-96	0	0	0	114.9
4	M	41.6	Very low	39.7	Very low	166 Å²	166	164 Å²	164	82%	0.818	85%	0.85	S	S	*	*			trans	-70.3	161.5	167.1	-78.8	-171.8	143.3	0	0	111.6
5	P	40	Very low	39.7	Very low	108 Å²	108	168.2 Å²	168.2	70%	0.701	85%	0.85	S	S	*	*				-130.7	136.6	121.1	26.8	-11.3	0	0	0	113.4
6	R	42.9	Very low	39.7	Very low	232 Å²	232	164.3 Å²	164.3	88%	0.875	84%	0.843	S	S	*	*			trans	-61.2	131.2	165	-83.8	174.4	159.9	-175.7	-5.2	109.9
7	F	39.3	Very low	39.8	Very low	193 Å²	193	161.9 Å²	161.9	85%	0.846	84%	0.841	S	S	*	*			trans	-123.8	106.4	153	-83.1	-80.4	0	0	0	109.5	R9	F7-R9 PolarHBondContact O-N 3.4Å
8	S	44.9	Very low	40.1	Very low	117 Å²	117	158.8 Å²	158.8	82%	0.818	84%	0.835	S	S	*	*			trans	-68.6	114.4	164.3	54.3	0	0	0	0	108.9
9	R	40.1	Very low	40.3	Very low	239 Å²	239	162.2 Å²	162.2	90%	0.902	84%	0.836	S	S	*	*			trans	-103.2	111.4	162.1	-89.8	-175.8	166.2	-161.8	-3.1	108.9	F7 R11	F7-R9 PolarHBondContact O-N 3.4Å; R9-R11 PolarHBondContact O-N 3.05Å
10	S	38.2	Very low	40.6	Very low	112 Å²	112	162.1 Å²	162.1	78%	0.783	83%	0.829	S	S	*	*			trans	-50.8	125	165.7	44.3	0	0	0	0	109.9	S12	S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 PolarHBondContact O-N 3.39Å
11	R	38.8	Very low	40.8	Very low	250 Å²	250	161.5 Å²	161.5	94%	0.943	82%	0.823	S	S	*	*			trans	-72.1	94.1	162.3	-87.1	-176.9	168.8	-155	-2.5	107.2	R9 S13	R9-R11 PolarHBondContact O-N 3.05Å; R11-S13 PolarHBondContact O-N 3.03Å
12	S	38.5	Very low	40.9	Very low	108 Å²	108	154.8 Å²	154.8	76%	0.755	80%	0.8	S	S	*	*			trans	-65.9	101.3	164.1	55.5	0	0	0	0	108.3	S10 S14	S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 PolarHBondContact O-N 3.39Å; S12-S14 PolarHBondContact O-N 3.01Å
13	S	41	Very low	41.4	Very low	98 Å²	98	156 Å²	156	69%	0.685	79%	0.789	S	S	*	*			trans	-57.4	99	164.4	149.9	0	0	0	0	108.9	R11 R15	R11-S13 PolarHBondContact O-N 3.03Å; S13-R15 PolarHBondContact O-N 2.98Å
14	S	36.4	Very low	42.2	Very low	116 Å²	116	151 Å²	151	81%	0.811	76%	0.764	S	S	*	*			trans	-75.9	79.9	164.3	58.6	0	0	0	0	108.5	S12 S16	S12-S14 PolarHBondContact O-N 3.01Å; S14-S16 PolarHBondContact O-N 3.4Å; S14-S16 VanDerWaalsContact O-N 3.11Å
15	R	39.9	Very low	42.8	Very low	227 Å²	227	148.7 Å²	148.7	86%	0.857	76%	0.755	S	S	*	*			trans	-65	103.3	161.7	-108	177.7	168	-174.7	-4.1	106.7	S13	S13-R15 PolarHBondContact O-N 2.98Å
16	S	38.8	Very low	43.8	Very low	105 Å²	105	146.3 Å²	146.3	73%	0.734	74%	0.741	S	S	*	*			trans	-58.5	135	166	28.8	0	0	0	0	109.4	S14 S18	S14-S16 PolarHBondContact O-N 3.4Å; S14-S16 VanDerWaalsContact O-N 3.11Å; S16-S18 PolarHBondContact O-N 3.11Å
17	P	41.5	Very low	44.9	Very low	125 Å²	125	140.2 Å²	140.2	81%	0.812	73%	0.732	S	S	*	*			trans	-66.4	132.2	-175.5	-14.3	28.1	0	0	0	110.7	R19	P17-R19 PolarHBondContact O-N 2.99Å
18	S	44.7	Very low	46.8	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	71%	0.713	S	S	*	*			trans	-59.7	97.8	175.9	51.7	0	0	0	0	111.4	S16 K20	S16-S18 PolarHBondContact O-N 3.11Å; S18-K20 PolarHBondContact O-N 3.06Å
19	R	45.3	Very low	48.9	Very low	223 Å²	223	131.1 Å²	131.1	84%	0.842	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	22.6	-179.1	-136.9	-178.8	-166.5	-170.5	3	114.5	P17	P17-R19 PolarHBondContact O-N 2.99Å
20	K	46.3	Very low	51.5	Low	160 Å²	160	123.4 Å²	123.4	70%	0.696	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	-4.5	-162.1	-77.3	-168.1	176.1	-176.6	0	118.3	S18 R24	S18-K20 PolarHBondContact O-N 3.06Å; K20-R24 PolarHBondContact O-NE 3.02Å; K20-R24 PolarHBondContact O-NH2 3.38Å
21	E	44.6	Very low	54.1	Low	150 Å²	150	119 Å²	119	70%	0.701	63%	0.633	S	S	*	*	S	Bend	trans	-103.9	-36.7	-179.9	-80.3	173	165.6	0	0	114.6	E23	E21-E23 PolarHBondContact O-N 2.83Å
22	S	42.8	Very low	56.8	Low	108 Å²	108	110.3 Å²	110.3	76%	0.755	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-23.2	-171.5	63.4	0	0	0	0	115.6
23	E	47.4	Very low	59.4	Low	123 Å²	123	108.7 Å²	108.7	58%	0.575	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-24.2	-179.7	-75.6	-173.2	158.7	0	0	113.2	E21 D25 S26	E21-E23 PolarHBondContact O-N 2.83Å; E23-D25 VanDerWaalsContact C-N 3.31Å; E23-D25 PolarHBondContact O-N 2.79Å; E23-S26 WeakPolarHBondContact O-CB 3.07Å; E23-S26 PolarHBondContact O-N 2.98Å; E23-S26 PolarHBondContact O-OG 3.43Å
24	R	52.5	Low	61.9	Low	106 Å²	106	104.1 Å²	104.1	40%	0.4	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-15.5	-174.9	-74	-171	-75.6	-144.5	4.9	114.7	K20 R191	K20-R24 PolarHBondContact O-NE 3.02Å; K20-R24 PolarHBondContact O-NH2 3.38Å; R24-R191 PolarHBondContact O-NH1 3.32Å
25	D	54.4	Low	64.7	Low	116 Å²	116	100.1 Å²	100.1	62%	0.62	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	9.6	172	-97.4	-17.3	0	0	0	113.1	E23 K195	E23-D25 VanDerWaalsContact C-N 3.31Å; E23-D25 PolarHBondContact O-N 2.79Å; D25-K195 IonicContact OD1-NZ 3.86Å; D25-K195 PolarHBondContact OD1-NZ 3.18Å
26	S	61.3	Low	67.2	Low	58 Å²	58	97.7 Å²	97.7	41%	0.406	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-57.9	132.7	173	-61.2	0	0	0	0	110.4	E23 R191	E23-S26 WeakPolarHBondContact O-CB 3.07Å; E23-S26 PolarHBondContact O-N 2.98Å; E23-S26 PolarHBondContact O-OG 3.43Å; S26-R191 PolarHBondContact O-NH1 2.84Å; S26-R191 PolarHBondContact O-NH2 3.42Å
27	P	67.3	Low	69.8	Low	105 Å²	105	94 Å²	94	68%	0.682	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-59.1	147.7	-176	23.3	-33.1	0	0	0	111.8	L29	P27-L29 PolarHBondContact O-N 2.92Å
28	T	78.9	Confident	72.1	Confident	74 Å²	74	88.4 Å²	88.4	45%	0.454	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-60.9	126.3	170.3	50.4	0	0	0	0	109
29	L	89.3	Confident	74.2	Confident	44 Å²	44	91.2 Å²	91.2	23%	0.23	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-73.3	147.2	178.8	-64	-173.7	0	0	0	111.2	P27 E33 L34 V161 N184	P27-L29 PolarHBondContact O-N 2.92Å; L29-E33 HydrophobicContact CB-CB 4Å; L29-E33 HydrophobicContact CD1-CB 4.35Å; L29-E33 HydrophobicContact CD2-CB 4.39Å; L29-E33 HydrophobicContact CG-CB 4.48Å; L29-L34 HydrophobicContact CB-CD2 3.9Å; L29-L34 HydrophobicContact CB-CG 3.99Å; L29-L34 HydrophobicContact CD1-CD2 4.18Å; L29-V161 HydrophobicContact CD1-CG2 3.64Å; L29-V161 HydrophobicContact CG-CG2 3.89Å; L29-N184 PolarHBondContact O-ND2 3.13Å
30	T	93.5	Very high	76.3	Confident	77 Å²	77	84.9 Å²	84.9	47%	0.472	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-67.5	160.4	168.5	64.9	0	0	0	0	110.9	S32 E33 L34	T30-S32 PolarHBondContact O-N 3.26Å; T30-E33 WeakPolarHBondContact CB-OE2 3.12Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.46Å; T30-E33 PolarHBondContact N-OE2 3.26Å; T30-E33 PolarHBondContact O-N 2.87Å; T30-E33 VanDerWaalsContact O-N 3.08Å; T30-E33 VanDerWaalsContact OG1-CD 3.32Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.34Å; T30-E33 PolarHBondContact OG1-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.06Å; T30-L34 WeakPolarHBondContact O-CG 3.37Å; T30-L34 PolarHBondContact O-N 3.14Å
31	V	93.6	Very high	77.9	Confident	21 Å²	21	78 Å²	78	13%	0.127	41%	0.41	C	S	.	.	H	α-helix	trans	-55.5	-41.1	177.2	177.7	0	0	0	0	111.9	E33 L34 E35 R177 L180 R181	V31-E33 VanDerWaalsContact C-N 3.32Å; V31-E33 PolarHBondContact O-N 2.98Å; V31-L34 PolarHBondContact O-N 3.04Å; V31-E35 WeakPolarHBondContact O-CG 3.44Å; V31-E35 PolarHBondContact O-N 3.15Å; V31-R177 HydrophobicContact CG1-CB 4.14Å; V31-R177 HydrophobicContact CG1-CG 4.01Å; V31-L180 HydrophobicContact CG1-CB 4.2Å; V31-L180 HydrophobicContact CG1-CD1 4.12Å; V31-R181 HydrophobicContact CG2-CG 3.53Å
32	S	94.2	Very high	79.6	Confident	67 Å²	67	74.9 Å²	74.9	47%	0.469	39%	0.394	S	S	.	.	H	α-helix	trans	-66.6	-33.8	179.8	-55.1	0	0	0	0	112.4	T30 R36	T30-S32 PolarHBondContact O-N 3.26Å; S32-R36 WeakPolarHBondContact O-CB 3.25Å; S32-R36 PolarHBondContact O-N 2.86Å
33	E	94.3	Very high	81.1	Confident	74 Å²	74	76.5 Å²	76.5	35%	0.346	40%	0.399	S	S	.	.	H	α-helix	trans	-72.4	-37.9	174.6	-71.2	166.4	130.6	0	0	112.1	L29 T30 V31 R36 L37	L29-E33 HydrophobicContact CB-CB 4Å; L29-E33 HydrophobicContact CD1-CB 4.35Å; L29-E33 HydrophobicContact CD2-CB 4.39Å; L29-E33 HydrophobicContact CG-CB 4.48Å; T30-E33 WeakPolarHBondContact CB-OE2 3.12Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.46Å; T30-E33 PolarHBondContact N-OE2 3.26Å; T30-E33 PolarHBondContact O-N 2.87Å; T30-E33 VanDerWaalsContact O-N 3.08Å; T30-E33 VanDerWaalsContact OG1-CD 3.32Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.34Å; T30-E33 PolarHBondContact OG1-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.06Å; V31-E33 VanDerWaalsContact C-N 3.32Å; V31-E33 PolarHBondContact O-N 2.98Å; E33-R36 PolarHBondContact O-N 3.36Å; E33-L37 PolarHBondContact O-N 2.91Å
34	L	94.1	Very high	81.9	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	39%	0.387	C	S	.	.	H	α-helix	trans	-62.4	-44.3	173.1	-65.9	170.8	0	0	0	111.2	L29 T30 V31 L37 L38 L160 I164 L180	L29-L34 HydrophobicContact CB-CD2 3.9Å; L29-L34 HydrophobicContact CB-CG 3.99Å; L29-L34 HydrophobicContact CD1-CD2 4.18Å; T30-L34 WeakPolarHBondContact O-CG 3.37Å; T30-L34 PolarHBondContact O-N 3.14Å; V31-L34 PolarHBondContact O-N 3.04Å; L34-L37 WeakPolarHBondContact O-CB 3.27Å; L34-L37 PolarHBondContact O-N 3.03Å; L34-L38 WeakPolarHBondContact O-CD1 3.33Å; L34-L38 WeakPolarHBondContact O-CG 3.3Å; L34-L38 PolarHBondContact O-N 3.18Å; L34-L160 HydrophobicContact CD1-CD2 3.73Å; L34-L160 HydrophobicContact CD2-CD2 4Å; L34-L160 HydrophobicContact CD2-CG 4.15Å; L34-I164 HydrophobicContact CB-CD1 4.48Å; L34-I164 HydrophobicContact CD2-CD1 3.64Å; L34-L180 HydrophobicContact CB-CD1 4.41Å; L34-L180 HydrophobicContact CD1-CB 4.49Å
35	E	93.3	Very high	82.6	Confident	33 Å²	33	73.2 Å²	73.2	15%	0.154	41%	0.407	C	S	.	.	H	α-helix	trans	-58.6	-49.2	173.5	-75.7	174.2	156.3	0	0	111.4	V31 L37 L38 Y39 R177 L180	V31-E35 WeakPolarHBondContact O-CG 3.44Å; V31-E35 PolarHBondContact O-N 3.15Å; E35-L37 PolarHBondContact O-N 3.29Å; E35-L38 WeakPolarHBondContact O-CB 3.31Å; E35-L38 PolarHBondContact O-N 3.44Å; E35-Y39 HydrophobicContact CB-CD2 4.4Å; E35-Y39 HydrophobicContact CB-CE2 4Å; E35-Y39 WeakPolarHBondContact O-CD2 3.38Å; E35-Y39 PolarHBondContact O-N 3.02Å; E35-R177 WeakPolarHBondContact OE1-CD 3.11Å; E35-R177 WeakPolarHBondContact OE1-CG 3.39Å; E35-R177 IonicContact OE1-CZ 3.82Å; E35-R177 IonicContact OE1-NE 2.65Å; E35-R177 IonicContact OE1-NH1 3.71Å; E35-R177 PolarHBondContact OE1-NH1 3.32Å; E35-R177 IonicContact OE2-CZ 2.64Å; E35-R177 IonicContact OE2-NH1 3.88Å; E35-R177 PolarHBondContact OE2-NH1 3.08Å; E35-L180 HydrophobicContact CG-CD1 3.79Å
36	R	93.6	Very high	84.4	Confident	175 Å²	175	71.8 Å²	71.8	66%	0.66	40%	0.4	S	S	*	.	H	α-helix	trans	-56.9	-39.8	176.9	-173.1	174.3	65.6	138	-2.9	111.6	S32 E33 Y39 T40	S32-R36 WeakPolarHBondContact O-CB 3.25Å; S32-R36 PolarHBondContact O-N 2.86Å; E33-R36 PolarHBondContact O-N 3.36Å; R36-Y39 PolarHBondContact O-N 2.87Å; R36-T40 WeakPolarHBondContact O-CG2 3.36Å
37	L	92.6	Very high	86	Confident	28 Å²	28	73.9 Å²	73.9	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-62.7	-44.2	175.6	-179.7	62.3	0	0	0	111.5	E33 L34 E35 T40 V161 I164 R165 K168	E33-L37 PolarHBondContact O-N 2.91Å; L34-L37 WeakPolarHBondContact O-CB 3.27Å; L34-L37 PolarHBondContact O-N 3.03Å; E35-L37 PolarHBondContact O-N 3.29Å; L37-T40 PolarHBondContact O-N 3.48Å; L37-T40 PolarHBondContact O-OG1 3.15Å; L37-V161 HydrophobicContact CD2-CG1 4.07Å; L37-I164 HydrophobicContact CD2-CB 4.09Å; L37-I164 HydrophobicContact CD2-CG2 3.54Å; L37-I164 HydrophobicContact CG-CG2 3.73Å; L37-R165 HydrophobicContact CD1-CG 4.42Å; L37-R165 HydrophobicContact CD2-CG 4.49Å; L37-K168 HydrophobicContact CD1-CD 4.28Å; L37-K168 HydrophobicContact CG-CD 4.27Å; L37-K168 WeakPolarHBondContact O-CD 3.41Å
38	L	91.1	Very high	87.4	Confident	7 Å²	7	70 Å²	70	4%	0.037	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-37.7	179.1	-70.1	159.5	0	0	0	112.5	L34 E35 T40 G41 I164 V173 L180	L34-L38 WeakPolarHBondContact O-CD1 3.33Å; L34-L38 WeakPolarHBondContact O-CG 3.3Å; L34-L38 PolarHBondContact O-N 3.18Å; E35-L38 WeakPolarHBondContact O-CB 3.31Å; E35-L38 PolarHBondContact O-N 3.44Å; L38-T40 PolarHBondContact O-N 3.28Å; L38-G41 PolarHBondContact O-N 3.35Å; L38-I164 HydrophobicContact CD2-CG1 4.33Å; L38-I164 HydrophobicContact CD2-CG2 3.64Å; L38-I164 HydrophobicContact CG-CG2 4.01Å; L38-V173 HydrophobicContact CD2-CG2 3.87Å; L38-V173 WeakPolarHBondContact CD2-O 3.22Å; L38-L180 HydrophobicContact CD1-CD1 4.25Å; L38-L180 HydrophobicContact CD1-CD2 3.92Å
39	Y	89.1	Confident	88.3	Confident	166 Å²	166	67 Å²	67	65%	0.651	36%	0.361	S	S	*	.	H	α-helix	trans	-65.3	-16.7	177.2	-71.1	-56.7	0	0	0	114.6	E35 R36 G41 I174	E35-Y39 HydrophobicContact CB-CD2 4.4Å; E35-Y39 HydrophobicContact CB-CE2 4Å; E35-Y39 WeakPolarHBondContact O-CD2 3.38Å; E35-Y39 PolarHBondContact O-N 3.02Å; R36-Y39 PolarHBondContact O-N 2.87Å; Y39-G41 VanDerWaalsContact C-N 3.28Å; Y39-I174 HydrophobicContact CD1-CD1 4.02Å; Y39-I174 HydrophobicContact CE1-CD1 3.3Å; Y39-I174 HydrophobicContact CE2-CD1 4.04Å; Y39-I174 WeakPolarHBondContact OH-CD1 3.35Å
40	T	87.9	Confident	88.7	Confident	90 Å²	90	68.8 Å²	68.8	55%	0.552	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	3.3	173.8	67.5	0	0	0	0	113.4	R36 L37 L38 K168	R36-T40 WeakPolarHBondContact O-CG2 3.36Å; L37-T40 PolarHBondContact O-N 3.48Å; L37-T40 PolarHBondContact O-OG1 3.15Å; L38-T40 PolarHBondContact O-N 3.28Å; T40-K168 PolarHBondContact OG1-NZ 3.41Å
41	G	80.1	Confident	88.9	Confident	16 Å²	16	65.1 Å²	65.1	17%	0.165	35%	0.345	C	S	.	.	S	Bend	trans	-76.8	178.4	-180	0	0	0	0	0	114	L38 Y39 K168	L38-G41 PolarHBondContact O-N 3.35Å; Y39-G41 VanDerWaalsContact C-N 3.28Å; G41-K168 WeakPolarHBondContact CA-O 3.04Å
42	K	80.9	Confident	89.2	Confident	84 Å²	84	67.8 Å²	67.8	37%	0.365	35%	0.353	S	S	.	.			trans	-62.3	139.1	176.3	-167.8	-170.9	-173.8	-169.7	0	110.7	A44 D49 K168 H170 G172	K42-A44 HydrophobicContact CD-CB 4.02Å; K42-A44 HydrophobicContact CG-CB 3.98Å; K42-D49 IonicContact NZ-OD1 3.06Å; K42-K168 PolarHBondContact N-O 3.18Å; K42-H170 VanDerWaalsContact CD-O 3.24Å; K42-H170 WeakPolarHBondContact CD-O 3.18Å; K42-H170 PolarHBondContact NZ-O 3.47Å; K42-H170 VanDerWaalsContact NZ-O 3.17Å; K42-G172 WeakPolarHBondContact O-CA 3.3Å; K42-G172 PolarHBondContact O-N 3.47Å
43	T	73.9	Confident	89.4	Confident	141 Å²	141	68.6 Å²	68.6	87%	0.865	36%	0.357	S	S	*	.			trans	-94.8	-6.8	178.1	51.3	0	0	0	0	114.1
44	A	65.1	Low	89.6	Confident	39 Å²	39	69 Å²	69	32%	0.322	36%	0.355	S	S	.	.			trans	-66.5	140.2	-175.7	0	0	0	0	0	112.3	K42	K42-A44 HydrophobicContact CD-CB 4.02Å; K42-A44 HydrophobicContact CG-CB 3.98Å
45	C	66.9	Low	89.8	Confident	122 Å²	122	69 Å²	69	82%	0.824	36%	0.355	S	S	*	.			trans	-115.8	63.3	-170.9	45.1	0	0	0	0	111.8
46	N	91.7	Very high	90.1	Very high	86 Å²	86	68.4 Å²	68.4	46%	0.46	35%	0.351	S	S	.	.			trans	-72.3	152.1	165.3	-63.1	-41.9	0	0	0	109.7	A48 D49 R171	N46-A48 WeakPolarHBondContact CB-O 3.35Å; N46-A48 PolarHBondContact O-N 2.74Å; N46-D49 PolarHBondContact ND2-OD1 3.37Å; N46-R171 PolarHBondContact O-NH1 2.95Å
47	H	95.8	Very high	90.3	Very high	102 Å²	102	60 Å²	60	47%	0.472	32%	0.32	S	S	.	.	S	Bend	trans	-65.2	-27.9	173.7	-67.5	-52.2	0	0	0	112.5	G58 D59 N61 I62	H47-G58 CarbonylContact O-C 3.59Å; H47-G58 WeakPolarHBondContact O-CA 3.49Å; H47-D59 IonicContact CE1-OD2 3.7Å; H47-D59 IonicContact CG-OD1 3.88Å; H47-D59 IonicContact CG-OD2 3.69Å; H47-D59 IonicContact ND1-OD1 3.58Å; H47-D59 IonicContact ND1-OD2 2.75Å; H47-D59 PolarHBondContact ND1-OD2 3.05Å; H47-D59 PolarHBondContact O-N 2.84Å; H47-N61 HydrophobicContact CB-CB 4.5Å; H47-N61 PolarHBondContact CE1-ND2 2.93Å; H47-N61 VanDerWaalsContact CE1-ND2 3.31Å; H47-N61 PolarHBondContact ND1-ND2 3.41Å; H47-I62 HydrophobicContact CB-CB 4.03Å; H47-I62 VanDerWaalsContact O-CG2 3.25Å; H47-I62 WeakPolarHBondContact O-CG2 3.44Å
48	A	96.8	Very high	90.5	Very high	22 Å²	22	58.7 Å²	58.7	18%	0.182	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.7	167.4	0	0	0	0	0	111.7	N46 I57 I62 L134	N46-A48 WeakPolarHBondContact CB-O 3.35Å; N46-A48 PolarHBondContact O-N 2.74Å; A48-I57 VanDerWaalsContact CA-O 3.29Å; A48-I57 WeakPolarHBondContact CA-O 3.46Å; A48-I62 HydrophobicContact CB-CB 4.23Å; A48-I62 HydrophobicContact CB-CD1 4.49Å; A48-I62 HydrophobicContact CB-CG1 3.85Å; A48-I62 HydrophobicContact CB-CG2 4.09Å; A48-L134 HydrophobicContact CB-CD1 4.47Å
49	D	97.3	Very high	90.8	Very high	13 Å²	13	59.1 Å²	59.1	7%	0.07	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.5	171.4	-60.8	-82.2	0	0	0	109.7	K42 N46 V51 Y56 I57 R171	K42-D49 IonicContact NZ-OD1 3.06Å; N46-D49 PolarHBondContact ND2-OD1 3.37Å; D49-V51 HydrophobicContact CB-CG1 4.45Å; D49-V51 PolarHBondContact O-N 3.35Å; D49-Y56 VanDerWaalsContact O-CA 3.26Å; D49-Y56 WeakPolarHBondContact O-CA 3.21Å; D49-I57 PolarHBondContact N-O 2.74Å; D49-I57 PolarHBondContact O-N 3.12Å; D49-R171 HydrophobicContact CB-CB 4Å; D49-R171 HydrophobicContact CB-CG 4.4Å; D49-R171 WeakPolarHBondContact OD2-CG 3.26Å; D49-R171 IonicContact OD2-CZ 2.79Å; D49-R171 IonicContact OD2-NH1 3.59Å; D49-R171 PolarHBondContact OD2-NH1 2.75Å
50	E	97.8	Very high	91.1	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.2	168.8	-163.8	168	174	0	0	108.7	W52 R54 Y56 H170	E50-W52 WeakPolarHBondContact CG-O 3.5Å; E50-R54 PolarHBondContact OE1-N 2.95Å; E50-Y56 HydrophobicContact CB-CD1 3.8Å; E50-Y56 HydrophobicContact CB-CE1 3.46Å; E50-Y56 VanDerWaalsContact CB-CE1 3.46Å; E50-Y56 HydrophobicContact CB-CG 4.49Å; E50-Y56 VanDerWaalsContact CD-OH 3.32Å; E50-Y56 HydrophobicContact CG-CD1 4.36Å; E50-Y56 HydrophobicContact CG-CE1 3.95Å; E50-Y56 HydrophobicContact CG-CE2 4.22Å; E50-Y56 PolarHBondContact OE2-OH 2.74Å; E50-H170 PolarHBondContact O-CD2 2.63Å
51	V	97.5	Very high	91.5	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-11.2	-175.4	-56.8	0	0	0	0	112.7	D49 L55 I57 V148 V167 H170 R171	D49-V51 HydrophobicContact CB-CG1 4.45Å; D49-V51 PolarHBondContact O-N 3.35Å; V51-L55 PolarHBondContact N-O 3.39Å; V51-I57 HydrophobicContact CB-CD1 4.48Å; V51-I57 HydrophobicContact CG1-CB 4.32Å; V51-I57 HydrophobicContact CG1-CD1 4.07Å; V51-I57 HydrophobicContact CG1-CG1 4.21Å; V51-I57 HydrophobicContact CG2-CD1 3.84Å; V51-I57 HydrophobicContact CG2-CG1 3.82Å; V51-V148 HydrophobicContact CG2-CG1 3.93Å; V51-V167 HydrophobicContact CB-CG1 4.23Å; V51-V167 HydrophobicContact CB-CG2 4.36Å; V51-V167 HydrophobicContact CG1-CG1 4.15Å; V51-V167 HydrophobicContact CG2-CG2 4.35Å; V51-H170 HydrophobicContact CB-CB 4.26Å; V51-H170 HydrophobicContact CG1-CB 3.95Å; V51-R171 HydrophobicContact CG1-CB 3.94Å
52	W	98.4	Very high	92.3	Very high	76 Å²	76	53.3 Å²	53.3	29%	0.288	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	153.2	174.4	-177.9	-95.1	0	0	0	107.6	E50 R54 L55 L152 Q156 T166	E50-W52 WeakPolarHBondContact CG-O 3.5Å; W52-R54 PolarHBondContact O-N 2.67Å; W52-L55 HydrophobicContact CB-CB 4.05Å; W52-L55 HydrophobicContact CB-CD2 4.14Å; W52-L55 PolarHBondContact N-O 3.28Å; W52-L55 WeakPolarHBondContact O-CA 3.44Å; W52-L55 PolarHBondContact O-N 3.49Å; W52-L55 VanDerWaalsContact O-O 3.13Å; W52-L152 HydrophobicContact CB-CD2 4.32Å; W52-L152 HydrophobicContact CD2-CD2 3.72Å; W52-L152 HydrophobicContact CE3-CD2 3.89Å; W52-L152 HydrophobicContact CG-CD2 3.93Å; W52-L152 HydrophobicContact CZ3-CD2 4.47Å; W52-Q156 HydrophobicContact CZ2-CB 4.4Å; W52-Q156 HydrophobicContact CZ2-CG 3.9Å; W52-T166 HydrophobicContact CE3-CG2 3.65Å; W52-T166 HydrophobicContact CZ3-CG2 3.95Å
53	P	98.4	Very high	93	Very high	84 Å²	84	49.3 Å²	49.3	55%	0.545	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	118.7	-177.3	-32.3	36.9	0	0	0	113.4	L55	P53-L55 PolarHBondContact O-N 2.77Å
54	R	98.7	Very high	94	Very high	84 Å²	84	45.3 Å²	45.3	32%	0.317	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	13.1	-177.9	-60	178.7	-72.2	130.5	-6.3	115.6	E50 W52 L127 G130 G131 K132 V133	E50-R54 PolarHBondContact OE1-N 2.95Å; W52-R54 PolarHBondContact O-N 2.67Å; R54-L127 HydrophobicContact CB-CD2 3.72Å; R54-L127 VanDerWaalsContact CZ-O 3.29Å; R54-L127 PolarHBondContact NH1-O 3.39Å; R54-L127 PolarHBondContact NH2-O 2.97Å; R54-G130 PolarHBondContact NH1-O 2.79Å; R54-G131 PolarHBondContact NH1-O 3.06Å; R54-K132 HydrophobicContact CB-CB 4.47Å; R54-K132 HydrophobicContact CB-CG 3.98Å; R54-K132 HydrophobicContact CG-CG 4.03Å; R54-K132 CarbonylContact O-C 3.49Å; R54-K132 WeakPolarHBondContact O-CA 3.45Å; R54-V133 PolarHBondContact O-N 3.39Å
55	L	98.9	Very high	95.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.6	179.5	176.3	62.1	0	0	0	110.5	V51 W52 P53 I123 L127 V133 V135 V148 Y151	V51-L55 PolarHBondContact N-O 3.39Å; W52-L55 HydrophobicContact CB-CB 4.05Å; W52-L55 HydrophobicContact CB-CD2 4.14Å; W52-L55 PolarHBondContact N-O 3.28Å; W52-L55 WeakPolarHBondContact O-CA 3.44Å; W52-L55 PolarHBondContact O-N 3.49Å; W52-L55 VanDerWaalsContact O-O 3.13Å; P53-L55 PolarHBondContact O-N 2.77Å; L55-I123 HydrophobicContact CD1-CG2 3.91Å; L55-I123 HydrophobicContact CD2-CG2 4.09Å; L55-L127 HydrophobicContact CB-CD1 4.34Å; L55-L127 HydrophobicContact CB-CD2 4.49Å; L55-V133 HydrophobicContact CD1-CB 3.88Å; L55-V133 HydrophobicContact CD1-CG1 4.08Å; L55-V135 HydrophobicContact CD1-CG2 3.69Å; L55-V148 HydrophobicContact CD1-CG2 4.41Å; L55-V148 HydrophobicContact CD2-CG1 3.96Å; L55-V148 HydrophobicContact CD2-CG2 4.39Å; L55-Y151 HydrophobicContact CD2-CD1 3.66Å; L55-Y151 HydrophobicContact CD2-CE1 3.68Å
56	Y	98.8	Very high	97	Very high	20 Å²	20	46 Å²	46	8%	0.078	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.1	-176.4	-62.3	-100	0	0	0	110.5	D49 E50 L72 I74 K132 V133 V135	D49-Y56 VanDerWaalsContact O-CA 3.26Å; D49-Y56 WeakPolarHBondContact O-CA 3.21Å; E50-Y56 HydrophobicContact CB-CD1 3.8Å; E50-Y56 HydrophobicContact CB-CE1 3.46Å; E50-Y56 VanDerWaalsContact CB-CE1 3.46Å; E50-Y56 HydrophobicContact CB-CG 4.49Å; E50-Y56 VanDerWaalsContact CD-OH 3.32Å; E50-Y56 HydrophobicContact CG-CD1 4.36Å; E50-Y56 HydrophobicContact CG-CE1 3.95Å; E50-Y56 HydrophobicContact CG-CE2 4.22Å; E50-Y56 PolarHBondContact OE2-OH 2.74Å; Y56-L72 HydrophobicContact CE1-CD2 4.46Å; Y56-I74 HydrophobicContact CD2-CD1 3.83Å; Y56-I74 HydrophobicContact CE2-CD1 4.17Å; Y56-I74 HydrophobicContact CG-CD1 4.43Å; Y56-K132 HydrophobicContact CE2-CD 4.42Å; Y56-V133 PolarHBondContact N-O 2.99Å; Y56-V135 PolarHBondContact O-N 3.07Å
57	I	98.5	Very high	97.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.6	161.6	-64.1	173.7	0	0	0	108.1	A48 D49 V51 V135 G140 A145 V148 V167 V173	A48-I57 VanDerWaalsContact CA-O 3.29Å; A48-I57 WeakPolarHBondContact CA-O 3.46Å; D49-I57 PolarHBondContact N-O 2.74Å; D49-I57 PolarHBondContact O-N 3.12Å; V51-I57 HydrophobicContact CB-CD1 4.48Å; V51-I57 HydrophobicContact CG1-CB 4.32Å; V51-I57 HydrophobicContact CG1-CD1 4.07Å; V51-I57 HydrophobicContact CG1-CG1 4.21Å; V51-I57 HydrophobicContact CG2-CD1 3.84Å; V51-I57 HydrophobicContact CG2-CG1 3.82Å; I57-V135 VanDerWaalsContact CA-O 3.32Å; I57-V135 WeakPolarHBondContact CA-O 3.42Å; I57-G140 VanDerWaalsContact CG2-O 3.3Å; I57-G140 WeakPolarHBondContact CG2-O 3.36Å; I57-A145 HydrophobicContact CD1-CB 4.33Å; I57-V148 HydrophobicContact CD1-CB 3.92Å; I57-V148 HydrophobicContact CD1-CG1 3.97Å; I57-V148 HydrophobicContact CD1-CG2 4.05Å; I57-V148 HydrophobicContact CG1-CB 4.2Å; I57-V148 HydrophobicContact CG1-CG1 4.34Å; I57-V148 HydrophobicContact CG1-CG2 3.75Å; I57-V167 HydrophobicContact CD1-CG1 3.74Å; I57-V173 HydrophobicContact CD1-CG1 4.33Å
58	G	97.3	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	176.7	177.7	0	0	0	0	0	115.8	H47 V135 H136 C137 G140	H47-G58 CarbonylContact O-C 3.59Å; H47-G58 WeakPolarHBondContact O-CA 3.49Å; G58-V135 PolarHBondContact N-O 2.91Å; G58-V135 VanDerWaalsContact N-O 3.1Å; G58-H136 VanDerWaalsContact O-CA 3.23Å; G58-H136 WeakPolarHBondContact O-CA 3.3Å; G58-H136 VanDerWaalsContact O-CB 3.28Å; G58-H136 WeakPolarHBondContact O-CB 3.22Å; G58-C137 PolarHBondContact O-N 3.29Å; G58-G140 WeakPolarHBondContact O-CA 3.36Å
59	D	96.6	Very high	97.4	Very high	16 Å²	16	48.7 Å²	48.7	9%	0.086	23%	0.226	C	C	.	.			trans	-98.7	-174.9	177.5	71	10.8	0	0	0	112.5	H47 N61 I62 A63 C137 V139	H47-D59 IonicContact CE1-OD2 3.7Å; H47-D59 IonicContact CG-OD1 3.88Å; H47-D59 IonicContact CG-OD2 3.69Å; H47-D59 IonicContact ND1-OD1 3.58Å; H47-D59 IonicContact ND1-OD2 2.75Å; H47-D59 PolarHBondContact ND1-OD2 3.05Å; H47-D59 PolarHBondContact O-N 2.84Å; D59-N61 VanDerWaalsContact C-N 3.26Å; D59-N61 PolarHBondContact O-N 2.76Å; D59-N61 WeakPolarHBondContact OD1-CA 3.4Å; D59-N61 VanDerWaalsContact OD1-CB 3.26Å; D59-N61 WeakPolarHBondContact OD1-CB 3.47Å; D59-N61 PolarHBondContact OD1-N 2.79Å; D59-N61 PolarHBondContact OD2-ND2 3.29Å; D59-I62 WeakPolarHBondContact O-CG2 3.33Å; D59-I62 PolarHBondContact OD1-N 3.43Å; D59-I62 VanDerWaalsContact OD1-N 3.08Å; D59-A63 PolarHBondContact O-N 2.95Å; D59-C137 CarbonylContact C-O 3.46Å; D59-V139 WeakPolarHBondContact CB-O 3.32Å
60	Q	95.8	Very high	97.4	Very high	50 Å²	50	51.2 Å²	51.2	23%	0.234	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-24.9	177.5	-172.6	60.2	46.8	0	0	112.9	A63 S64 C137 T138	Q60-A63 PolarHBondContact O-N 3.17Å; Q60-S64 PolarHBondContact NE2-OG 3.36Å; Q60-S64 WeakPolarHBondContact O-CB 3.46Å; Q60-S64 PolarHBondContact O-N 2.85Å; Q60-S64 VanDerWaalsContact O-N 3.09Å; Q60-S64 PolarHBondContact O-OG 3.25Å; Q60-C137 PolarHBondContact N-O 3.3Å; Q60-T138 PolarHBondContact N-O 2.82Å
61	N	95.8	Very high	97.4	Very high	93 Å²	93	55.3 Å²	55.3	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-48.7	-177.4	-59.2	-54.3	0	0	0	110.1	H47 D59 A63 S64 D65	H47-N61 HydrophobicContact CB-CB 4.5Å; H47-N61 PolarHBondContact CE1-ND2 2.93Å; H47-N61 VanDerWaalsContact CE1-ND2 3.31Å; H47-N61 PolarHBondContact ND1-ND2 3.41Å; D59-N61 VanDerWaalsContact C-N 3.26Å; D59-N61 PolarHBondContact O-N 2.76Å; D59-N61 WeakPolarHBondContact OD1-CA 3.4Å; D59-N61 VanDerWaalsContact OD1-CB 3.26Å; D59-N61 WeakPolarHBondContact OD1-CB 3.47Å; D59-N61 PolarHBondContact OD1-N 2.79Å; D59-N61 PolarHBondContact OD2-ND2 3.29Å; N61-A63 VanDerWaalsContact C-N 3.32Å; N61-A63 PolarHBondContact O-N 3.41Å; N61-S64 CarbonylContact O-C 3.51Å; N61-S64 PolarHBondContact O-N 2.76Å; N61-S64 VanDerWaalsContact O-N 3.13Å; N61-D65 PolarHBondContact O-N 3.36Å
62	I	96.6	Very high	97.4	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-38.4	176.1	-175.9	64.9	0	0	0	112.2	H47 A48 D59 S64 D65 E68 L69 L72 L134	H47-I62 HydrophobicContact CB-CB 4.03Å; H47-I62 VanDerWaalsContact O-CG2 3.25Å; H47-I62 WeakPolarHBondContact O-CG2 3.44Å; A48-I62 HydrophobicContact CB-CB 4.23Å; A48-I62 HydrophobicContact CB-CD1 4.49Å; A48-I62 HydrophobicContact CB-CG1 3.85Å; A48-I62 HydrophobicContact CB-CG2 4.09Å; D59-I62 WeakPolarHBondContact O-CG2 3.33Å; D59-I62 PolarHBondContact OD1-N 3.43Å; D59-I62 VanDerWaalsContact OD1-N 3.08Å; I62-S64 PolarHBondContact O-N 3.14Å; I62-D65 PolarHBondContact O-N 3.19Å; I62-D65 VanDerWaalsContact O-N 3.14Å; I62-E68 HydrophobicContact CD1-CB 3.78Å; I62-E68 HydrophobicContact CD1-CG 3.26Å; I62-L69 HydrophobicContact CG1-CD2 4.46Å; I62-L72 HydrophobicContact CD1-CD1 4.08Å; I62-L134 HydrophobicContact CG1-CD2 4.25Å; I62-L134 HydrophobicContact CG2-CD1 4.26Å; I62-L134 HydrophobicContact CG2-CD2 4.14Å
63	A	96.1	Very high	97.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-25	178.5	0	0	0	0	0	112.3	D59 Q60 N61 Y92 H136	D59-A63 PolarHBondContact O-N 2.95Å; Q60-A63 PolarHBondContact O-N 3.17Å; N61-A63 VanDerWaalsContact C-N 3.32Å; N61-A63 PolarHBondContact O-N 3.41Å; A63-Y92 WeakPolarHBondContact O-CE1 3.4Å; A63-Y92 PolarHBondContact O-OH 3.33Å; A63-H136 VanDerWaalsContact CB-CE1 3.45Å; A63-H136 WeakPolarHBondContact CB-CE1 3.17Å
64	S	95.3	Very high	97.4	Very high	57 Å²	57	51 Å²	51	40%	0.399	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	11.4	178.9	-43.2	0	0	0	0	112.7	Q60 N61 I62 Y91	Q60-S64 PolarHBondContact NE2-OG 3.36Å; Q60-S64 WeakPolarHBondContact O-CB 3.46Å; Q60-S64 PolarHBondContact O-N 2.85Å; Q60-S64 VanDerWaalsContact O-N 3.09Å; Q60-S64 PolarHBondContact O-OG 3.25Å; N61-S64 CarbonylContact O-C 3.51Å; N61-S64 PolarHBondContact O-N 2.76Å; N61-S64 VanDerWaalsContact O-N 3.13Å; I62-S64 PolarHBondContact O-N 3.14Å; S64-Y91 PolarHBondContact O-OH 2.99Å
65	D	96.9	Very high	97.4	Very high	69 Å²	69	49 Å²	49	37%	0.369	24%	0.244	S	C	.	.			trans	-114	87.7	176.8	-170.2	-22.8	0	0	0	110.5	N61 I62 R67 E68 L69	N61-D65 PolarHBondContact O-N 3.36Å; I62-D65 PolarHBondContact O-N 3.19Å; I62-D65 VanDerWaalsContact O-N 3.14Å; D65-R67 PolarHBondContact O-N 2.99Å; D65-R67 WeakPolarHBondContact OD1-CB 3.48Å; D65-R67 PolarHBondContact OD1-N 3.4Å; D65-E68 HydrophobicContact CB-CB 3.96Å; D65-E68 VanDerWaalsContact CG-CB 3.44Å; D65-E68 PolarHBondContact O-N 3.24Å; D65-E68 PolarHBondContact OD1-N 3.28Å; D65-L69 WeakPolarHBondContact O-CB 3.22Å; D65-L69 VanDerWaalsContact O-CG 3.25Å; D65-L69 WeakPolarHBondContact O-CG 3.41Å; D65-L69 PolarHBondContact O-N 3.43Å
66	R	97.2	Very high	97.4	Very high	106 Å²	106	50.3 Å²	50.3	40%	0.4	25%	0.25	S	S	.	.	H	α-helix	trans	-58.3	-31.3	179.1	-65	-178.9	62.9	171.2	4	113	A70 Y91 A93 M95	R66-A70 WeakPolarHBondContact O-CB 3.28Å; R66-A70 PolarHBondContact O-N 2.88Å; R66-A70 VanDerWaalsContact O-N 3.09Å; R66-Y91 HydrophobicContact CG-CE1 3.65Å; R66-A93 PolarHBondContact NH2-O 3.33Å; R66-M95 HydrophobicContact CB-CE 3.89Å; R66-M95 HydrophobicContact CB-SD 3.72Å; R66-M95 HydrophobicContact CG-CE 4.34Å; R66-M95 HydrophobicContact CG-SD 3.58Å; R66-M95 VanDerWaalsContact CG-SD 3.58Å; R66-M95 PolarHBondContact NE-SD 3.06Å; R66-M95 WeakPolarHBondContact O-CE 3.38Å
67	R	97.8	Very high	97.4	Very high	214 Å²	214	49.4 Å²	49.4	81%	0.808	25%	0.246	S	C	*	.	H	α-helix	trans	-70.6	-45.6	-179.6	-177.9	-177.5	179.7	-177.1	0	109.7	D65 A70 R71	D65-R67 PolarHBondContact O-N 2.99Å; D65-R67 WeakPolarHBondContact OD1-CB 3.48Å; D65-R67 PolarHBondContact OD1-N 3.4Å; R67-A70 PolarHBondContact O-N 2.93Å; R67-R71 WeakPolarHBondContact O-CB 3.31Å; R67-R71 PolarHBondContact O-N 2.83Å
68	E	97.7	Very high	97.5	Very high	52 Å²	52	49.4 Å²	49.4	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-70.3	-38.7	179.8	-170.2	63.6	-174.7	0	0	112	I62 D65 A70 R71 L72	I62-E68 HydrophobicContact CD1-CB 3.78Å; I62-E68 HydrophobicContact CD1-CG 3.26Å; D65-E68 HydrophobicContact CB-CB 3.96Å; D65-E68 VanDerWaalsContact CG-CB 3.44Å; D65-E68 PolarHBondContact O-N 3.24Å; D65-E68 PolarHBondContact OD1-N 3.28Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 3.49Å; E68-R71 PolarHBondContact O-N 3.34Å; E68-R71 IonicContact OE1-CZ 2.99Å; E68-R71 VanDerWaalsContact OE1-CZ 3.25Å; E68-R71 IonicContact OE1-NE 3.74Å; E68-R71 PolarHBondContact OE1-NE 3.47Å; E68-R71 IonicContact OE1-NH2 3.25Å; E68-R71 PolarHBondContact OE1-NH2 3.4Å; E68-R71 WeakPolarHBondContact OE2-CD 3.34Å; E68-R71 IonicContact OE2-CZ 2.98Å; E68-R71 IonicContact OE2-NE 3.96Å; E68-R71 PolarHBondContact OE2-NE 3.24Å; E68-R71 IonicContact OE2-NH2 2.76Å; E68-L72 HydrophobicContact CG-CD1 4.29Å; E68-L72 WeakPolarHBondContact O-CB 3.32Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.25Å
69	L	98.3	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-44.1	171.1	-70.6	172.6	0	0	0	112	I62 D65 G73 I74 I77 Y92 M95 L134	I62-L69 HydrophobicContact CG1-CD2 4.46Å; D65-L69 WeakPolarHBondContact O-CB 3.22Å; D65-L69 VanDerWaalsContact O-CG 3.25Å; D65-L69 WeakPolarHBondContact O-CG 3.41Å; D65-L69 PolarHBondContact O-N 3.43Å; L69-G73 PolarHBondContact O-N 3.38Å; L69-I74 HydrophobicContact CD2-CB 4.09Å; L69-I74 HydrophobicContact CD2-CG1 3.86Å; L69-I74 HydrophobicContact CD2-CG2 4.24Å; L69-I74 PolarHBondContact O-N 3.15Å; L69-I77 HydrophobicContact CD1-CD1 3.99Å; L69-I77 HydrophobicContact CD2-CD1 4.17Å; L69-Y92 HydrophobicContact CD1-CD1 4.09Å; L69-Y92 HydrophobicContact CD1-CE1 3.64Å; L69-M95 HydrophobicContact CB-CE 3.84Å; L69-M95 HydrophobicContact CD1-CE 4.46Å; L69-L134 HydrophobicContact CD2-CD2 3.56Å
70	A	97.9	Very high	97.6	Very high	67 Å²	67	48.9 Å²	48.9	55%	0.554	24%	0.244	S	C	*	.	H	α-helix	trans	-66.5	-41.8	175.5	0	0	0	0	0	112	R66 R67 E68 L72 G73 M95	R66-A70 WeakPolarHBondContact O-CB 3.28Å; R66-A70 PolarHBondContact O-N 2.88Å; R66-A70 VanDerWaalsContact O-N 3.09Å; R67-A70 PolarHBondContact O-N 2.93Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 3.49Å; A70-L72 PolarHBondContact O-N 3.33Å; A70-G73 PolarHBondContact O-N 2.86Å; A70-M95 HydrophobicContact CB-CE 4.39Å
71	R	98	Very high	97.6	Very high	166 Å²	166	47.2 Å²	47.2	63%	0.626	24%	0.238	S	C	*	.	H	α-helix	trans	-61.5	-42	177.4	-168.2	-168.7	73.2	78.4	-1.2	112.1	R67 E68 G73	R67-R71 WeakPolarHBondContact O-CB 3.31Å; R67-R71 PolarHBondContact O-N 2.83Å; E68-R71 PolarHBondContact O-N 3.34Å; E68-R71 IonicContact OE1-CZ 2.99Å; E68-R71 VanDerWaalsContact OE1-CZ 3.25Å; E68-R71 IonicContact OE1-NE 3.74Å; E68-R71 PolarHBondContact OE1-NE 3.47Å; E68-R71 IonicContact OE1-NH2 3.25Å; E68-R71 PolarHBondContact OE1-NH2 3.4Å; E68-R71 WeakPolarHBondContact OE2-CD 3.34Å; E68-R71 IonicContact OE2-CZ 2.98Å; E68-R71 IonicContact OE2-NE 3.96Å; E68-R71 PolarHBondContact OE2-NE 3.24Å; E68-R71 IonicContact OE2-NH2 2.76Å; R71-G73 PolarHBondContact O-N 2.89Å
72	L	97.6	Very high	97.5	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.141	22%	0.222	C	C	.	.	H	α-helix	trans	-72.3	-20.1	175.7	-69	175.3	0	0	0	112.2	Y56 I62 E68 A70 I74 K132	Y56-L72 HydrophobicContact CE1-CD2 4.46Å; I62-L72 HydrophobicContact CD1-CD1 4.08Å; E68-L72 HydrophobicContact CG-CD1 4.29Å; E68-L72 WeakPolarHBondContact O-CB 3.32Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.25Å; A70-L72 PolarHBondContact O-N 3.33Å; L72-I74 HydrophobicContact CB-CD1 4.2Å; L72-I74 HydrophobicContact CB-CG1 3.98Å; L72-K132 WeakPolarHBondContact O-CD 3.45Å; L72-K132 PolarHBondContact O-NZ 3.09Å
73	G	98.1	Very high	97.1	Very high	33 Å²	33	45.5 Å²	45.5	34%	0.34	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	36.5	-176.3	0	0	0	0	0	112.2	L69 A70 R71 T75	L69-G73 PolarHBondContact O-N 3.38Å; A70-G73 PolarHBondContact O-N 2.86Å; R71-G73 PolarHBondContact O-N 2.89Å; G73-T75 PolarHBondContact O-N 3.01Å
74	I	98.7	Very high	96.3	Very high	9 Å²	9	54 Å²	54	5%	0.046	27%	0.267	C	S	.	.			trans	-65	128.3	177.2	-61.4	-56.6	0	0	0	109.4	Y56 L69 L72 H76 I77 K132 L134	Y56-I74 HydrophobicContact CD2-CD1 3.83Å; Y56-I74 HydrophobicContact CE2-CD1 4.17Å; Y56-I74 HydrophobicContact CG-CD1 4.43Å; L69-I74 HydrophobicContact CD2-CB 4.09Å; L69-I74 HydrophobicContact CD2-CG1 3.86Å; L69-I74 HydrophobicContact CD2-CG2 4.24Å; L69-I74 PolarHBondContact O-N 3.15Å; L72-I74 HydrophobicContact CB-CD1 4.2Å; L72-I74 HydrophobicContact CB-CG1 3.98Å; I74-H76 WeakPolarHBondContact CG2-O 3.44Å; I74-I77 HydrophobicContact CG2-CD1 4.39Å; I74-I77 HydrophobicContact CG2-CG1 3.81Å; I74-K132 HydrophobicContact CD1-CB 4.2Å; I74-L134 HydrophobicContact CD1-CB 4.18Å; I74-L134 HydrophobicContact CG1-CB 4.37Å; I74-L134 HydrophobicContact CG2-CB 3.97Å
75	T	98.8	Very high	95.4	Very high	44 Å²	44	62.7 Å²	62.7	27%	0.27	29%	0.292	S	S	.	.			trans	-113	-18	178.4	59.7	0	0	0	0	112.7	G73 I97 T98 G131 K132	G73-T75 PolarHBondContact O-N 3.01Å; T75-I97 WeakPolarHBondContact O-CA 3.22Å; T75-T98 PolarHBondContact O-N 2.83Å; T75-G131 WeakPolarHBondContact OG1-CA 3.38Å; T75-K132 PolarHBondContact N-O 3.28Å; T75-K132 PolarHBondContact OG1-N 2.88Å; T75-K132 PolarHBondContact OG1-O 3.34Å
76	H	98.8	Very high	94.2	Very high	27 Å²	27	67.8 Å²	67.8	13%	0.125	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.1	-179.2	-63.1	71.6	0	0	0	110.5	I74 T98 F122 A126 K132 V133 L134	I74-H76 WeakPolarHBondContact CG2-O 3.44Å; H76-T98 CarbonylContact C-O 3.38Å; H76-T98 VanDerWaalsContact CA-O 3.29Å; H76-T98 WeakPolarHBondContact CA-O 3.33Å; H76-F122 HydrophobicContact CB-CE1 4.07Å; H76-F122 HydrophobicContact CB-CZ 3.92Å; H76-A126 HydrophobicContact CB-CB 3.93Å; H76-A126 WeakPolarHBondContact CD2-CB 3.18Å; H76-K132 PolarHBondContact N-O 3.47Å; H76-V133 HydrophobicContact CB-CG1 4.32Å; H76-V133 HydrophobicContact CB-CG2 4.17Å; H76-V133 WeakPolarHBondContact O-CA 3.26Å; H76-L134 PolarHBondContact O-N 3.07Å
77	I	98.8	Very high	92.9	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.1	176.5	-67.6	-178.3	0	0	0	109.5	L69 I74 Y92 I97 T98 Y99 H100 L134	L69-I77 HydrophobicContact CD1-CD1 3.99Å; L69-I77 HydrophobicContact CD2-CD1 4.17Å; I74-I77 HydrophobicContact CG2-CD1 4.39Å; I74-I77 HydrophobicContact CG2-CG1 3.81Å; I77-Y92 HydrophobicContact CD1-CD1 3.69Å; I77-Y92 HydrophobicContact CD1-CD2 4.47Å; I77-Y92 HydrophobicContact CD1-CE1 3.19Å; I77-Y92 HydrophobicContact CD1-CE2 4.08Å; I77-Y92 HydrophobicContact CD1-CG 4.29Å; I77-Y92 VanDerWaalsContact CD1-CZ 3.4Å; I77-Y92 HydrophobicContact CG2-CE2 4.5Å; I77-I97 HydrophobicContact CB-CG2 4.12Å; I77-I97 HydrophobicContact CD1-CD1 4.05Å; I77-I97 HydrophobicContact CD1-CG2 3.9Å; I77-I97 HydrophobicContact CG1-CG2 3.78Å; I77-T98 PolarHBondContact N-O 2.96Å; I77-Y99 HydrophobicContact CB-CD2 4.01Å; I77-Y99 HydrophobicContact CG2-CD2 3.81Å; I77-Y99 HydrophobicContact CG2-CE2 3.82Å; I77-H100 PolarHBondContact O-N 2.64Å; I77-L134 WeakPolarHBondContact CA-O 3.34Å; I77-L134 HydrophobicContact CG1-CB 4.34Å
78	L	98.8	Very high	92.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	106	168.3	-179.2	59.9	0	0	0	109	H100 I102 A119 F122 I123 L134 V135 H136 L147	L78-H100 CarbonylContact C-O 3.5Å; L78-H100 WeakPolarHBondContact CA-O 3.42Å; L78-H100 HydrophobicContact CD1-CB 4.01Å; L78-H100 VanDerWaalsContact CD1-CD2 3.41Å; L78-H100 WeakPolarHBondContact CD1-CD2 3.39Å; L78-I102 HydrophobicContact CD1-CD1 3.75Å; L78-I102 HydrophobicContact CD1-CG1 4.21Å; L78-A119 HydrophobicContact CD2-CB 3.85Å; L78-F122 HydrophobicContact CB-CD1 4.11Å; L78-F122 HydrophobicContact CB-CE1 3.91Å; L78-F122 HydrophobicContact CD1-CD1 4.39Å; L78-I123 HydrophobicContact CD2-CD1 4.02Å; L78-I123 HydrophobicContact CD2-CG1 4.17Å; L78-L134 PolarHBondContact N-O 2.99Å; L78-V135 HydrophobicContact CB-CB 4.42Å; L78-V135 HydrophobicContact CB-CG1 4.2Å; L78-V135 HydrophobicContact CB-CG2 4.1Å; L78-V135 HydrophobicContact CD2-CG1 3.87Å; L78-V135 HydrophobicContact CD2-CG2 4.17Å; L78-V135 HydrophobicContact CG-CG1 4.13Å; L78-V135 WeakPolarHBondContact O-CA 3.29Å; L78-H136 PolarHBondContact O-N 2.86Å; L78-L147 HydrophobicContact CD2-CD1 4.29Å
79	N	98.4	Very high	92.1	Very high	6 Å²	6	55 Å²	55	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108.1	176.3	-177.3	-2.6	0	0	0	110.3	A81 Q82 Y99 H100 I102 H136	N79-A81 PolarHBondContact O-N 3.47Å; N79-A81 VanDerWaalsContact OD1-C 3.3Å; N79-A81 WeakPolarHBondContact OD1-CA 3.38Å; N79-A81 PolarHBondContact OD1-N 3.5Å; N79-Q82 PolarHBondContact OD1-N 2.93Å; N79-Y99 HydrophobicContact CB-CE2 3.86Å; N79-Y99 WeakPolarHBondContact CB-OH 3.38Å; N79-Y99 PolarHBondContact ND2-OH 2.9Å; N79-H100 PolarHBondContact N-O 3.27Å; N79-I102 PolarHBondContact O-N 3.26Å; N79-H136 VanDerWaalsContact CB-NE2 3.34Å; N79-H136 WeakPolarHBondContact CB-NE2 3.3Å; N79-H136 PolarHBondContact OD1-CE1 3.4Å
80	C	98	Very high	91.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	14.6	178.9	-42.7	0	0	0	0	113.2	I102 V135 H136 C137 R143 L147	C80-I102 CarbonylContact C-O 3.49Å; C80-V135 WeakPolarHBondContact SG-CG1 3.08Å; C80-H136 WeakPolarHBondContact CB-O 3.35Å; C80-H136 PolarHBondContact N-O 2.75Å; C80-H136 PolarHBondContact SG-O 2.97Å; C80-C137 HydrophobicContact CB-CB 4.2Å; C80-R143 HydrophobicContact CB-CB 3.98Å; C80-R143 WeakPolarHBondContact O-CD 3.27Å; C80-L147 HydrophobicContact CB-CD1 4.3Å
81	A	95.6	Very high	91.7	Very high	14 Å²	14	62.3 Å²	62.3	12%	0.116	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140	33.9	179.6	0	0	0	0	0	110.8	N79 S83 C137	N79-A81 PolarHBondContact O-N 3.47Å; N79-A81 VanDerWaalsContact OD1-C 3.3Å; N79-A81 WeakPolarHBondContact OD1-CA 3.38Å; N79-A81 PolarHBondContact OD1-N 3.5Å; A81-S83 PolarHBondContact O-N 3.33Å; A81-C137 HydrophobicContact CB-CB 4.06Å
82	Q	93.8	Very high	91.5	Very high	34 Å²	34	55 Å²	55	16%	0.159	27%	0.274	C	S	.	.			trans	-56.3	140.4	178.3	-179.2	65.8	50.7	0	0	109.7	N79 G87 Y99 I102 E103	N79-Q82 PolarHBondContact OD1-N 2.93Å; Q82-G87 PolarHBondContact NE2-O 3.37Å; Q82-Y99 PolarHBondContact OE1-OH 3.08Å; Q82-I102 WeakPolarHBondContact CB-O 3.48Å; Q82-I102 PolarHBondContact N-O 2.87Å; Q82-E103 HydrophobicContact CB-CG 3.99Å; Q82-E103 HydrophobicContact CG-CG 3.9Å
83	S	88.6	Confident	91.4	Very high	31 Å²	31	56.8 Å²	56.8	22%	0.217	29%	0.293	C	S	.	.			trans	-146.2	151.2	168.3	69.4	0	0	0	0	109	A81 W85 R86	A81-S83 PolarHBondContact O-N 3.33Å; S83-W85 PolarHBondContact O-N 3.43Å; S83-W85 VanDerWaalsContact O-N 3.08Å; S83-R86 PolarHBondContact O-N 3.4Å; S83-R86 VanDerWaalsContact OG-CB 3.29Å; S83-R86 WeakPolarHBondContact OG-CB 3.41Å; S83-R86 WeakPolarHBondContact OG-CG 3.46Å; S83-R86 PolarHBondContact OG-N 3.19Å
84	K	79.1	Confident	91.3	Very high	177 Å²	177	59.3 Å²	59.3	77%	0.77	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.8	176.6	-61.7	-178.1	-179.2	179.3	0	113.6
85	W	76.6	Confident	91.1	Very high	240 Å²	240	60.7 Å²	60.7	91%	0.909	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-11.7	-176.7	-52.4	109.1	0	0	0	114	S83	S83-W85 PolarHBondContact O-N 3.43Å; S83-W85 VanDerWaalsContact O-N 3.08Å
86	R	71.1	Confident	91	Very high	176 Å²	176	65.7 Å²	65.7	66%	0.664	35%	0.351	S	S	*	.	S	Bend	trans	-127.8	83.1	-174.6	-62.7	-179.7	171.2	-95	-1.4	111.3	S83	S83-R86 PolarHBondContact O-N 3.4Å; S83-R86 VanDerWaalsContact OG-CB 3.29Å; S83-R86 WeakPolarHBondContact OG-CB 3.41Å; S83-R86 WeakPolarHBondContact OG-CG 3.46Å; S83-R86 PolarHBondContact OG-N 3.19Å
87	G	71.6	Confident	90.9	Very high	42 Å²	42	65.5 Å²	65.5	43%	0.433	35%	0.351	S	S	.	.			trans	50	-178.8	169	0	0	0	0	0	115.6	Q82 E90	Q82-G87 PolarHBondContact NE2-O 3.37Å; G87-E90 VanDerWaalsContact C-OE1 3.23Å; G87-E90 WeakPolarHBondContact CA-OE1 3.5Å
88	G	86	Confident	90.9	Very high	7 Å²	7	69 Å²	69	7%	0.072	37%	0.372	C	S	.	.			trans	-171	-152.8	-178.8	0	0	0	0	0	110.6	E90 Y91	G88-E90 WeakPolarHBondContact CA-OE2 3.38Å; G88-E90 PolarHBondContact N-OE1 3.43Å; G88-E90 PolarHBondContact N-OE2 2.82Å; G88-E90 PolarHBondContact O-N 2.83Å; G88-E90 VanDerWaalsContact O-N 3.17Å; G88-Y91 PolarHBondContact O-N 3.17Å
89	A	91.9	Very high	90.9	Very high	56 Å²	56	71.1 Å²	71.1	46%	0.463	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-57.8	-30.1	-179.6	0	0	0	0	0	112.7	Y91 Y92 Y99	A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 2.7Å; A89-Y92 PolarHBondContact O-N 3.39Å; A89-Y92 VanDerWaalsContact O-N 3.1Å; A89-Y99 HydrophobicContact CB-CD1 3.84Å; A89-Y99 HydrophobicContact CB-CG 4.01Å
90	E	93.1	Very high	90.9	Very high	127 Å²	127	74 Å²	74	59%	0.593	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-62.1	-29.7	-178.4	71.6	-69.4	163.6	0	0	113.5	G87 G88 Y92 A93	G87-E90 VanDerWaalsContact C-OE1 3.23Å; G87-E90 WeakPolarHBondContact CA-OE1 3.5Å; G88-E90 WeakPolarHBondContact CA-OE2 3.38Å; G88-E90 PolarHBondContact N-OE1 3.43Å; G88-E90 PolarHBondContact N-OE2 2.82Å; G88-E90 PolarHBondContact O-N 2.83Å; G88-E90 VanDerWaalsContact O-N 3.17Å; E90-Y92 PolarHBondContact O-N 3.04Å; E90-A93 VanDerWaalsContact O-CB 3.26Å; E90-A93 WeakPolarHBondContact O-CB 3.46Å; E90-A93 PolarHBondContact O-N 2.93Å; E90-A93 VanDerWaalsContact O-N 3.17Å
91	Y	93.6	Very high	90.9	Very high	92 Å²	92	75.3 Å²	75.3	36%	0.361	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-61.7	-30.9	176.7	-179.8	-98.3	0	0	0	112.1	S64 R66 G88 A89 A93	S64-Y91 PolarHBondContact O-OH 2.99Å; R66-Y91 HydrophobicContact CG-CE1 3.65Å; G88-Y91 PolarHBondContact O-N 3.17Å; A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 2.7Å; Y91-A93 VanDerWaalsContact C-N 3.35Å
92	Y	95.7	Very high	90.9	Very high	13 Å²	13	75 Å²	75	5%	0.051	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-93.6	10.2	-177.9	-50.6	-73.8	0	0	0	113.2	A63 L69 I77 A89 E90 G94 M95 I97 Y99	A63-Y92 WeakPolarHBondContact O-CE1 3.4Å; A63-Y92 PolarHBondContact O-OH 3.33Å; L69-Y92 HydrophobicContact CD1-CD1 4.09Å; L69-Y92 HydrophobicContact CD1-CE1 3.64Å; I77-Y92 HydrophobicContact CD1-CD1 3.69Å; I77-Y92 HydrophobicContact CD1-CD2 4.47Å; I77-Y92 HydrophobicContact CD1-CE1 3.19Å; I77-Y92 HydrophobicContact CD1-CE2 4.08Å; I77-Y92 HydrophobicContact CD1-CG 4.29Å; I77-Y92 VanDerWaalsContact CD1-CZ 3.4Å; I77-Y92 HydrophobicContact CG2-CE2 4.5Å; A89-Y92 PolarHBondContact O-N 3.39Å; A89-Y92 VanDerWaalsContact O-N 3.1Å; E90-Y92 PolarHBondContact O-N 3.04Å; Y92-G94 PolarHBondContact O-N 3.01Å; Y92-M95 HydrophobicContact CD1-SD 4.35Å; Y92-M95 WeakPolarHBondContact O-CB 3.47Å; Y92-M95 PolarHBondContact O-N 2.93Å; Y92-I97 HydrophobicContact CD1-CD1 3.9Å; Y92-I97 HydrophobicContact CG-CD1 4.34Å; Y92-I97 HydrophobicContact CG-CG2 4.27Å; Y92-Y99 AromaticContact CD2-CD2 3.79Å; Y92-Y99 HydrophobicContact CD2-CD2 3.79Å; Y92-Y99 HydrophobicContact CD2-CE2 4.29Å; Y92-Y99 HydrophobicContact CD2-CG 4.46Å; Y92-Y99 AromaticContact CE2-CD2 3.44Å; Y92-Y99 HydrophobicContact CE2-CD2 3.44Å; Y92-Y99 VanDerWaalsContact CE2-CD2 3.44Å; Y92-Y99 AromaticContact CE2-CE2 3.53Å; Y92-Y99 HydrophobicContact CE2-CE2 3.53Å; Y92-Y99 HydrophobicContact CE2-CG 4.46Å
93	A	94.6	Very high	91.1	Very high	64 Å²	64	78.6 Å²	78.6	53%	0.529	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	128.8	178	0	0	0	0	0	111.4	R66 E90 Y91	R66-A93 PolarHBondContact NH2-O 3.33Å; E90-A93 VanDerWaalsContact O-CB 3.26Å; E90-A93 WeakPolarHBondContact O-CB 3.46Å; E90-A93 PolarHBondContact O-N 2.93Å; E90-A93 VanDerWaalsContact O-N 3.17Å; Y91-A93 VanDerWaalsContact C-N 3.35Å
94	G	95.4	Very high	91.4	Very high	86 Å²	86	77.3 Å²	77.3	89%	0.887	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	0.7	-177.5	0	0	0	0	0	115.8	Y92	Y92-G94 PolarHBondContact O-N 3.01Å
95	M	95.8	Very high	92.2	Very high	39 Å²	39	75.4 Å²	75.4	19%	0.192	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.7	179.4	-60.2	-176	68.5	0	0	114.8	R66 L69 A70 Y92 I97	R66-M95 HydrophobicContact CB-CE 3.89Å; R66-M95 HydrophobicContact CB-SD 3.72Å; R66-M95 HydrophobicContact CG-CE 4.34Å; R66-M95 HydrophobicContact CG-SD 3.58Å; R66-M95 VanDerWaalsContact CG-SD 3.58Å; R66-M95 PolarHBondContact NE-SD 3.06Å; R66-M95 WeakPolarHBondContact O-CE 3.38Å; L69-M95 HydrophobicContact CB-CE 3.84Å; L69-M95 HydrophobicContact CD1-CE 4.46Å; A70-M95 HydrophobicContact CB-CE 4.39Å; Y92-M95 HydrophobicContact CD1-SD 4.35Å; Y92-M95 WeakPolarHBondContact O-CB 3.47Å; Y92-M95 PolarHBondContact O-N 2.93Å; M95-I97 HydrophobicContact CB-CD1 3.74Å; M95-I97 HydrophobicContact CB-CG1 3.89Å; M95-I97 HydrophobicContact CE-CD1 3.85Å; M95-I97 PolarHBondContact O-N 2.87Å; M95-I97 HydrophobicContact SD-CD1 4.06Å
96	N	95.3	Very high	93.2	Very high	148 Å²	148	67.7 Å²	67.7	79%	0.791	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	41.5	-171.7	-165	35.8	0	0	0	113
97	I	98.1	Very high	94.5	Very high	24 Å²	24	61 Å²	61	12%	0.123	36%	0.362	C	S	.	.			trans	-100	128.9	178.1	-71.2	173.2	0	0	0	109.5	T75 I77 Y92 M95	T75-I97 WeakPolarHBondContact O-CA 3.22Å; I77-I97 HydrophobicContact CB-CG2 4.12Å; I77-I97 HydrophobicContact CD1-CD1 4.05Å; I77-I97 HydrophobicContact CD1-CG2 3.9Å; I77-I97 HydrophobicContact CG1-CG2 3.78Å; Y92-I97 HydrophobicContact CD1-CD1 3.9Å; Y92-I97 HydrophobicContact CG-CD1 4.34Å; Y92-I97 HydrophobicContact CG-CG2 4.27Å; M95-I97 HydrophobicContact CB-CD1 3.74Å; M95-I97 HydrophobicContact CB-CG1 3.89Å; M95-I97 HydrophobicContact CE-CD1 3.85Å; M95-I97 PolarHBondContact O-N 2.87Å; M95-I97 HydrophobicContact SD-CD1 4.06Å
98	T	98.3	Very high	95.7	Very high	74 Å²	74	62 Å²	62	45%	0.454	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.5	167.2	-57.5	0	0	0	0	109.4	T75 H76 I77 F122	T75-T98 PolarHBondContact O-N 2.83Å; H76-T98 CarbonylContact C-O 3.38Å; H76-T98 VanDerWaalsContact CA-O 3.29Å; H76-T98 WeakPolarHBondContact CA-O 3.33Å; I77-T98 PolarHBondContact N-O 2.96Å; T98-F122 HydrophobicContact CG2-CE2 4.06Å
99	Y	98.3	Very high	96.3	Very high	43 Å²	43	67.8 Å²	67.8	17%	0.169	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.4	-175.1	-175.8	-97.4	0	0	0	112.2	I77 N79 Q82 A89 Y92	I77-Y99 HydrophobicContact CB-CD2 4.01Å; I77-Y99 HydrophobicContact CG2-CD2 3.81Å; I77-Y99 HydrophobicContact CG2-CE2 3.82Å; N79-Y99 HydrophobicContact CB-CE2 3.86Å; N79-Y99 WeakPolarHBondContact CB-OH 3.38Å; N79-Y99 PolarHBondContact ND2-OH 2.9Å; Q82-Y99 PolarHBondContact OE1-OH 3.08Å; A89-Y99 HydrophobicContact CB-CD1 3.84Å; A89-Y99 HydrophobicContact CB-CG 4.01Å; Y92-Y99 AromaticContact CD2-CD2 3.79Å; Y92-Y99 HydrophobicContact CD2-CD2 3.79Å; Y92-Y99 HydrophobicContact CD2-CE2 4.29Å; Y92-Y99 HydrophobicContact CD2-CG 4.46Å; Y92-Y99 AromaticContact CE2-CD2 3.44Å; Y92-Y99 HydrophobicContact CE2-CD2 3.44Å; Y92-Y99 VanDerWaalsContact CE2-CD2 3.44Å; Y92-Y99 AromaticContact CE2-CE2 3.53Å; Y92-Y99 HydrophobicContact CE2-CE2 3.53Å; Y92-Y99 HydrophobicContact CE2-CG 4.46Å
100	H	98	Very high	96.6	Very high	67 Å²	67	67.2 Å²	67.2	31%	0.31	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.5	167	-173.5	51.5	0	0	0	110	I77 L78 N79 F122	I77-H100 PolarHBondContact O-N 2.64Å; L78-H100 CarbonylContact C-O 3.5Å; L78-H100 WeakPolarHBondContact CA-O 3.42Å; L78-H100 HydrophobicContact CD1-CB 4.01Å; L78-H100 VanDerWaalsContact CD1-CD2 3.41Å; L78-H100 WeakPolarHBondContact CD1-CD2 3.39Å; N79-H100 PolarHBondContact N-O 3.27Å; H100-F122 HydrophobicContact CB-CD1 4.49Å; H100-F122 HydrophobicContact CB-CD2 3.72Å; H100-F122 HydrophobicContact CB-CE1 4.33Å; H100-F122 HydrophobicContact CB-CE2 3.52Å; H100-F122 HydrophobicContact CB-CG 4.21Å; H100-F122 HydrophobicContact CB-CZ 3.84Å
101	G	97.7	Very high	96.8	Very high	27 Å²	27	64.8 Å²	64.8	28%	0.278	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.4	179.5	0	0	0	0	0	111.4
102	I	97.3	Very high	97.1	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.036	36%	0.356	C	S	.	.			trans	-115.5	119.9	173.7	-62.2	168.6	0	0	0	107.9	L78 N79 C80 Q82 A104 N115 A119 L147	L78-I102 HydrophobicContact CD1-CD1 3.75Å; L78-I102 HydrophobicContact CD1-CG1 4.21Å; N79-I102 PolarHBondContact O-N 3.26Å; C80-I102 CarbonylContact C-O 3.49Å; Q82-I102 WeakPolarHBondContact CB-O 3.48Å; Q82-I102 PolarHBondContact N-O 2.87Å; I102-A104 HydrophobicContact CG2-CB 4.05Å; I102-A104 PolarHBondContact O-N 2.98Å; I102-A104 VanDerWaalsContact O-N 3.08Å; I102-N115 HydrophobicContact CD1-CB 4.11Å; I102-N115 HydrophobicContact CG2-CB 4.35Å; I102-A119 HydrophobicContact CD1-CB 4.26Å; I102-L147 HydrophobicContact CD1-CD1 3.47Å; I102-L147 VanDerWaalsContact CD1-CD1 3.47Å
103	E	96.8	Very high	97.2	Very high	110 Å²	110	62.1 Å²	62.1	51%	0.514	37%	0.37	S	S	.	.			trans	-76.1	92.9	173	-65	-168.8	-174.2	0	0	108.9	Q82 F110	Q82-E103 HydrophobicContact CB-CG 3.99Å; Q82-E103 HydrophobicContact CG-CG 3.9Å; E103-F110 WeakPolarHBondContact O-CZ 3.25Å
104	A	95.8	Very high	97.4	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.041	37%	0.37	C	S	.	.			trans	-128.8	135.5	-179.3	0	0	0	0	0	113.6	I102 F110 M112 R143	I102-A104 HydrophobicContact CG2-CB 4.05Å; I102-A104 PolarHBondContact O-N 2.98Å; I102-A104 VanDerWaalsContact O-N 3.08Å; A104-F110 HydrophobicContact CB-CD1 4.28Å; A104-F110 HydrophobicContact CB-CE1 3.54Å; A104-F110 HydrophobicContact CB-CZ 3.69Å; A104-M112 HydrophobicContact CB-CE 3.69Å; A104-M112 HydrophobicContact CB-SD 4.11Å; A104-R143 WeakPolarHBondContact O-CD 3.47Å; A104-R143 PolarHBondContact O-NH1 2.9Å
105	H	95.9	Very high	97.5	Very high	136 Å²	136	60.7 Å²	60.7	63%	0.63	34%	0.336	S	S	*	.			trans	-94.6	139.4	175.2	-61.7	-74.2	0	0	0	110.7	S107 F110 F179	H105-S107 PolarHBondContact O-N 2.67Å; H105-F110 HydrophobicContact CB-CB 4.49Å; H105-F110 HydrophobicContact CB-CD2 4Å; H105-F110 HydrophobicContact CB-CG 4.38Å; H105-F110 AromaticContact CD2-CD2 3.98Å; H105-F110 WeakPolarHBondContact O-CB 3.41Å; H105-F179 WeakPolarHBondContact O-CZ 3.04Å
106	D	97.2	Very high	97.7	Very high	78 Å²	78	59 Å²	59	42%	0.417	33%	0.328	S	S	.	.			trans	-81.3	64.4	176.4	-156.3	-2.9	0	0	0	111.1	S142 R143 N176	D106-S142 WeakPolarHBondContact OD1-CB 3.36Å; D106-S142 PolarHBondContact OD1-OG 3.02Å; D106-S142 WeakPolarHBondContact OD2-CB 3.4Å; D106-S142 PolarHBondContact OD2-OG 3.02Å; D106-R143 HydrophobicContact CB-CG 4.14Å; D106-N176 PolarHBondContact OD1-ND2 3.01Å
107	S	97.9	Very high	97.8	Very high	36 Å²	36	57.3 Å²	57.3	25%	0.252	31%	0.311	S	S	.	.			trans	-121	139.9	-179.6	178.4	0	0	0	0	110.3	H105 T109 F110	H105-S107 PolarHBondContact O-N 2.67Å; S107-T109 PolarHBondContact O-N 2.99Å; S107-T109 PolarHBondContact OG-N 2.91Å; S107-T109 PolarHBondContact OG-OG1 3.26Å; S107-F110 WeakPolarHBondContact O-CB 3.48Å; S107-F110 PolarHBondContact O-N 3.28Å
108	P	97.1	Very high	97.9	Very high	62 Å²	62	59.3 Å²	59.3	40%	0.403	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.9	169.9	-23.5	34.1	0	0	0	115.2	N176 G178	P108-N176 WeakPolarHBondContact CA-OD1 3.41Å; P108-N176 HydrophobicContact CG-CB 4.36Å; P108-G178 WeakPolarHBondContact O-CA 3.4Å
109	T	97.9	Very high	97.9	Very high	129 Å²	129	55.8 Å²	55.8	79%	0.791	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-9.8	176.9	58.8	0	0	0	0	113.6	S107	S107-T109 PolarHBondContact O-N 2.99Å; S107-T109 PolarHBondContact OG-N 2.91Å; S107-T109 PolarHBondContact OG-OG1 3.26Å
110	F	98.3	Very high	97.9	Very high	45 Å²	45	53.7 Å²	53.7	20%	0.197	30%	0.295	C	S	.	.	S	Bend	trans	-75.5	132.6	177.6	-176.9	-90.4	0	0	0	109.9	E103 A104 H105 S107 M112 F179 Q182	E103-F110 WeakPolarHBondContact O-CZ 3.25Å; A104-F110 HydrophobicContact CB-CD1 4.28Å; A104-F110 HydrophobicContact CB-CE1 3.54Å; A104-F110 HydrophobicContact CB-CZ 3.69Å; H105-F110 HydrophobicContact CB-CB 4.49Å; H105-F110 HydrophobicContact CB-CD2 4Å; H105-F110 HydrophobicContact CB-CG 4.38Å; H105-F110 AromaticContact CD2-CD2 3.98Å; H105-F110 WeakPolarHBondContact O-CB 3.41Å; S107-F110 WeakPolarHBondContact O-CB 3.48Å; S107-F110 PolarHBondContact O-N 3.28Å; F110-M112 HydrophobicContact CD1-CB 4.33Å; F110-M112 HydrophobicContact CD1-CE 4.4Å; F110-M112 HydrophobicContact CE1-CE 4.35Å; F110-M112 HydrophobicContact CE1-SD 4.26Å; F110-M112 PolarHBondContact O-N 3.27Å; F110-F179 HydrophobicContact CB-CE1 4.23Å; F110-F179 HydrophobicContact CD1-CE1 4.11Å; F110-F179 HydrophobicContact CD1-CZ 4.32Å; F110-Q182 PolarHBondContact O-NE2 2.94Å
111	D	98.4	Very high	97.9	Very high	76 Å²	76	54.4 Å²	54.4	41%	0.406	30%	0.299	S	S	.	.			trans	-83.2	96.4	175.1	-171.9	6	0	0	0	110.6	S113 V114	D111-S113 VanDerWaalsContact C-N 3.33Å; D111-S113 VanDerWaalsContact OD1-CB 3.29Å; D111-S113 WeakPolarHBondContact OD1-CB 3.5Å; D111-S113 PolarHBondContact OD1-N 3.06Å; D111-S113 PolarHBondContact OD1-OG 3.3Å; D111-V114 WeakPolarHBondContact OD2-CG1 3.41Å
112	M	98.6	Very high	98	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.			trans	-80.1	-18.6	174.5	-170.6	66.7	77.5	0	0	111.6	A104 F110 V114 N115 F116 R143 T146 L147 F179 Q182	A104-M112 HydrophobicContact CB-CE 3.69Å; A104-M112 HydrophobicContact CB-SD 4.11Å; F110-M112 HydrophobicContact CD1-CB 4.33Å; F110-M112 HydrophobicContact CD1-CE 4.4Å; F110-M112 HydrophobicContact CE1-CE 4.35Å; F110-M112 HydrophobicContact CE1-SD 4.26Å; F110-M112 PolarHBondContact O-N 3.27Å; M112-V114 VanDerWaalsContact C-N 3.26Å; M112-V114 PolarHBondContact O-N 3.23Å; M112-N115 WeakPolarHBondContact O-CB 3.41Å; M112-N115 PolarHBondContact O-N 3.36Å; M112-N115 HydrophobicContact SD-CB 4.47Å; M112-F116 HydrophobicContact CB-CE1 4.14Å; M112-F116 HydrophobicContact CG-CD1 4.39Å; M112-F116 HydrophobicContact CG-CE1 3.79Å; M112-F116 WeakPolarHBondContact O-CD1 3.42Å; M112-R143 HydrophobicContact CE-CB 3.8Å; M112-R143 HydrophobicContact CE-CG 3.63Å; M112-T146 HydrophobicContact CG-CG2 3.94Å; M112-L147 HydrophobicContact CG-CD2 3.79Å; M112-L147 HydrophobicContact CG-CG 4.47Å; M112-L147 HydrophobicContact SD-CD1 4.31Å; M112-L147 HydrophobicContact SD-CD2 3.85Å; M112-L147 HydrophobicContact SD-CG 4.12Å; M112-F179 HydrophobicContact CB-CD1 3.75Å; M112-F179 HydrophobicContact CB-CE1 3.71Å; M112-F179 HydrophobicContact CB-CG 4.45Å; M112-F179 HydrophobicContact CB-CZ 4.35Å; M112-F179 HydrophobicContact CE-CD2 4.47Å; M112-F179 HydrophobicContact CE-CE1 4.1Å; M112-F179 HydrophobicContact CE-CE2 3.75Å; M112-F179 HydrophobicContact CE-CZ 3.53Å; M112-Q182 VanDerWaalsContact CB-OE1 3.31Å
113	S	98.4	Very high	98.1	Very high	49 Å²	49	54.3 Å²	54.3	34%	0.343	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64.3	-31.2	-170.3	75.3	0	0	0	0	113.2	D111 N115 F116 Q182	D111-S113 VanDerWaalsContact C-N 3.33Å; D111-S113 VanDerWaalsContact OD1-CB 3.29Å; D111-S113 WeakPolarHBondContact OD1-CB 3.5Å; D111-S113 PolarHBondContact OD1-N 3.06Å; D111-S113 PolarHBondContact OD1-OG 3.3Å; S113-N115 PolarHBondContact O-N 2.95Å; S113-F116 WeakPolarHBondContact O-CB 3.44Å; S113-F116 WeakPolarHBondContact O-CG 3.38Å; S113-F116 PolarHBondContact O-N 3.45Å; S113-Q182 VanDerWaalsContact N-OE1 3.13Å
114	V	98.4	Very high	98.2	Very high	90 Å²	90	51.8 Å²	51.8	55%	0.545	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.5	-23.2	173.3	-55.6	0	0	0	0	112.9	D111 M112	D111-V114 WeakPolarHBondContact OD2-CG1 3.41Å; M112-V114 VanDerWaalsContact C-N 3.26Å; M112-V114 PolarHBondContact O-N 3.23Å
115	N	98.7	Very high	98.3	Very high	29 Å²	29	59.1 Å²	59.1	16%	0.155	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-97.5	-6	-178.8	-62.2	-65.3	0	0	0	113.6	I102 M112 S113 A119 L147	I102-N115 HydrophobicContact CD1-CB 4.11Å; I102-N115 HydrophobicContact CG2-CB 4.35Å; M112-N115 WeakPolarHBondContact O-CB 3.41Å; M112-N115 PolarHBondContact O-N 3.36Å; M112-N115 HydrophobicContact SD-CB 4.47Å; S113-N115 PolarHBondContact O-N 2.95Å; N115-A119 WeakPolarHBondContact O-CB 3.29Å; N115-A119 PolarHBondContact O-N 2.93Å; N115-L147 HydrophobicContact CB-CD2 4.11Å
116	F	98.8	Very high	98.4	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-54.7	-174.1	-71	-9.3	0	0	0	112.8	M112 S113 A120 T146 L147 A150 I154 Q182 L183 L186	M112-F116 HydrophobicContact CB-CE1 4.14Å; M112-F116 HydrophobicContact CG-CD1 4.39Å; M112-F116 HydrophobicContact CG-CE1 3.79Å; M112-F116 WeakPolarHBondContact O-CD1 3.42Å; S113-F116 WeakPolarHBondContact O-CB 3.44Å; S113-F116 WeakPolarHBondContact O-CG 3.38Å; S113-F116 PolarHBondContact O-N 3.45Å; F116-A120 WeakPolarHBondContact O-CB 3.19Å; F116-A120 PolarHBondContact O-N 3.38Å; F116-T146 HydrophobicContact CE1-CG2 3.76Å; F116-T146 HydrophobicContact CZ-CG2 4.19Å; F116-L147 HydrophobicContact CD1-CD2 3.77Å; F116-L147 HydrophobicContact CE1-CD2 4.22Å; F116-A150 HydrophobicContact CB-CB 4.04Å; F116-A150 HydrophobicContact CD1-CB 3.77Å; F116-A150 HydrophobicContact CD2-CB 4.33Å; F116-A150 HydrophobicContact CE1-CB 4.27Å; F116-A150 HydrophobicContact CG-CB 3.79Å; F116-I154 HydrophobicContact CB-CD1 4.13Å; F116-Q182 HydrophobicContact CE2-CB 4.22Å; F116-Q182 HydrophobicContact CZ-CB 3.93Å; F116-L183 HydrophobicContact CE1-CD2 4.45Å; F116-L183 HydrophobicContact CE2-CD2 4.33Å; F116-L183 HydrophobicContact CZ-CD2 3.99Å; F116-L183 HydrophobicContact CZ-CG 4.23Å; F116-L186 HydrophobicContact CD2-CB 4.28Å; F116-L186 HydrophobicContact CD2-CD1 4.49Å; F116-L186 HydrophobicContact CD2-CD2 3.76Å; F116-L186 HydrophobicContact CD2-CG 4.39Å; F116-L186 HydrophobicContact CE2-CB 4.18Å; F116-L186 HydrophobicContact CE2-CD2 4.18Å; F116-L186 HydrophobicContact CG-CD2 4.44Å
117	Y	98.6	Very high	98.5	Very high	111 Å²	111	49.5 Å²	49.5	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-49.3	179.8	-76.2	-90.5	0	0	0	112.3	A119 A120 E121 I154 L186	Y117-A119 VanDerWaalsContact C-N 3.31Å; Y117-A119 PolarHBondContact O-N 3.43Å; Y117-A120 PolarHBondContact O-N 2.98Å; Y117-A120 VanDerWaalsContact O-N 3.12Å; Y117-E121 WeakPolarHBondContact O-CG 3.42Å; Y117-E121 PolarHBondContact O-N 3.29Å; Y117-I154 HydrophobicContact CD1-CD1 4.18Å; Y117-I154 HydrophobicContact CD1-CG2 4.02Å; Y117-I154 HydrophobicContact CD2-CD1 4.24Å; Y117-I154 HydrophobicContact CE1-CD1 4.18Å; Y117-I154 HydrophobicContact CE1-CG1 4.31Å; Y117-I154 HydrophobicContact CE1-CG2 3.76Å; Y117-I154 HydrophobicContact CE2-CD1 4.25Å; Y117-I154 HydrophobicContact CG-CD1 4.21Å; Y117-L186 HydrophobicContact CE2-CD1 4.26Å
118	P	98.6	Very high	98.5	Very high	66 Å²	66	51.7 Å²	51.7	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-54.8	-43.9	176.7	-27.7	35.4	0	0	0	113.5	E121 F122	P118-E121 PolarHBondContact O-N 2.74Å; P118-F122 PolarHBondContact O-N 3.25Å
119	A	98.8	Very high	98.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-42.9	176.4	0	0	0	0	0	112.1	L78 I102 N115 Y117 E121 F122 I123 L147	L78-A119 HydrophobicContact CD2-CB 3.85Å; I102-A119 HydrophobicContact CD1-CB 4.26Å; N115-A119 WeakPolarHBondContact O-CB 3.29Å; N115-A119 PolarHBondContact O-N 2.93Å; Y117-A119 VanDerWaalsContact C-N 3.31Å; Y117-A119 PolarHBondContact O-N 3.43Å; A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 2.97Å; A119-F122 PolarHBondContact O-N 3.47Å; A119-I123 WeakPolarHBondContact O-CD1 3.47Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 2.86Å; A119-L147 HydrophobicContact CB-CB 4.19Å; A119-L147 HydrophobicContact CB-CD1 3.85Å; A119-L147 HydrophobicContact CB-CD2 4.2Å; A119-L147 HydrophobicContact CB-CG 4.31Å
120	A	98.8	Very high	98.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-38.9	177.6	0	0	0	0	0	112.1	F116 Y117 H124 Y151 I154 R155	F116-A120 WeakPolarHBondContact O-CB 3.19Å; F116-A120 PolarHBondContact O-N 3.38Å; Y117-A120 PolarHBondContact O-N 2.98Å; Y117-A120 VanDerWaalsContact O-N 3.12Å; A120-H124 WeakPolarHBondContact O-CB 3.39Å; A120-H124 PolarHBondContact O-N 2.95Å; A120-Y151 HydrophobicContact CB-CD2 4.22Å; A120-I154 HydrophobicContact CB-CB 4.33Å; A120-I154 HydrophobicContact CB-CD1 4.05Å; A120-I154 HydrophobicContact CB-CG2 4.34Å; A120-R155 HydrophobicContact CB-CG 4.31Å
121	E	98.7	Very high	98.5	Very high	82 Å²	82	47.5 Å²	47.5	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-47.2	173.9	-70.9	-56.7	136	0	0	111.7	Y117 P118 A119 I123 H124 K125 R155	Y117-E121 WeakPolarHBondContact O-CG 3.42Å; Y117-E121 PolarHBondContact O-N 3.29Å; P118-E121 PolarHBondContact O-N 2.74Å; A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 2.97Å; E121-I123 PolarHBondContact O-N 2.78Å; E121-H124 PolarHBondContact O-N 3.38Å; E121-K125 WeakPolarHBondContact O-CB 3.4Å; E121-K125 PolarHBondContact O-N 3.11Å; E121-R155 IonicContact OE1-CZ 3.69Å; E121-R155 IonicContact OE1-NE 2.64Å; E121-R155 IonicContact OE1-NH1 3.12Å; E121-R155 PolarHBondContact OE1-NH1 3.25Å; E121-R155 IonicContact OE1-NH2 3.5Å; E121-R155 PolarHBondContact OE1-NH2 3.48Å; E121-R155 IonicContact OE2-CZ 2.75Å; E121-R155 IonicContact OE2-NH1 2.63Å; E121-R155 IonicContact OE2-NH2 3.81Å; E121-R155 PolarHBondContact OE2-NH2 3.08Å
122	F	98.9	Very high	98.6	Very high	32 Å²	32	47.1 Å²	47.1	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-57.2	-51	176.7	177.1	-93.8	0	0	0	111.5	H76 L78 T98 H100 P118 A119 A126 V133	H76-F122 HydrophobicContact CB-CE1 4.07Å; H76-F122 HydrophobicContact CB-CZ 3.92Å; L78-F122 HydrophobicContact CB-CD1 4.11Å; L78-F122 HydrophobicContact CB-CE1 3.91Å; L78-F122 HydrophobicContact CD1-CD1 4.39Å; T98-F122 HydrophobicContact CG2-CE2 4.06Å; H100-F122 HydrophobicContact CB-CD1 4.49Å; H100-F122 HydrophobicContact CB-CD2 3.72Å; H100-F122 HydrophobicContact CB-CE1 4.33Å; H100-F122 HydrophobicContact CB-CE2 3.52Å; H100-F122 HydrophobicContact CB-CG 4.21Å; H100-F122 HydrophobicContact CB-CZ 3.84Å; P118-F122 PolarHBondContact O-N 3.25Å; A119-F122 PolarHBondContact O-N 3.47Å; F122-A126 WeakPolarHBondContact O-CB 3.46Å; F122-A126 PolarHBondContact O-N 3.5Å; F122-A126 VanDerWaalsContact O-N 3.15Å; F122-V133 HydrophobicContact CE1-CG1 4.39Å
123	I	98.9	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-47.3	178.9	-65.1	162.8	0	0	0	110.1	L55 L78 A119 E121 A126 L127 V133 V135 Y151	L55-I123 HydrophobicContact CD1-CG2 3.91Å; L55-I123 HydrophobicContact CD2-CG2 4.09Å; L78-I123 HydrophobicContact CD2-CD1 4.02Å; L78-I123 HydrophobicContact CD2-CG1 4.17Å; A119-I123 WeakPolarHBondContact O-CD1 3.47Å; A119-I123 VanDerWaalsContact O-CG1 3.25Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 2.86Å; E121-I123 PolarHBondContact O-N 2.78Å; I123-A126 PolarHBondContact O-N 3.12Å; I123-L127 HydrophobicContact CG2-CD1 3.65Å; I123-L127 HydrophobicContact CG2-CG 4.3Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.44Å; I123-L127 PolarHBondContact O-N 2.92Å; I123-V133 HydrophobicContact CG1-CG1 4.33Å; I123-V135 HydrophobicContact CD1-CG2 3.95Å; I123-V135 HydrophobicContact CG1-CG2 4.14Å; I123-Y151 HydrophobicContact CB-CD2 3.8Å; I123-Y151 HydrophobicContact CB-CE2 4.11Å; I123-Y151 HydrophobicContact CB-CG 4.12Å; I123-Y151 HydrophobicContact CD1-CG 4.1Å; I123-Y151 HydrophobicContact CG2-CD1 3.83Å; I123-Y151 HydrophobicContact CG2-CD2 3.63Å; I123-Y151 HydrophobicContact CG2-CE1 3.83Å; I123-Y151 HydrophobicContact CG2-CE2 3.63Å; I123-Y151 HydrophobicContact CG2-CG 3.74Å
124	H	98.8	Very high	98.6	Very high	56 Å²	56	44.8 Å²	44.8	26%	0.259	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-47.4	-177.9	-172.9	73.7	0	0	0	112.2	A120 E121 A126 L127 S128 Y151 R155	A120-H124 WeakPolarHBondContact O-CB 3.39Å; A120-H124 PolarHBondContact O-N 2.95Å; E121-H124 PolarHBondContact O-N 3.38Å; H124-A126 VanDerWaalsContact C-N 3.29Å; H124-A126 PolarHBondContact O-N 3.24Å; H124-L127 PolarHBondContact O-N 3.25Å; H124-S128 PolarHBondContact CE1-OG 3.48Å; H124-S128 PolarHBondContact NE2-OG 2.9Å; H124-S128 VanDerWaalsContact O-CB 3.31Å; H124-S128 WeakPolarHBondContact O-CB 3.24Å; H124-S128 PolarHBondContact O-N 2.98Å; H124-S128 PolarHBondContact O-OG 3.28Å; H124-Y151 HydrophobicContact CB-CE2 3.98Å; H124-R155 HydrophobicContact CB-CG 4.13Å; H124-R155 PolarHBondContact CD2-NE 3.29Å; H124-R155 PolarHBondContact CD2-NH2 2.98Å
125	K	98.7	Very high	98.6	Very high	160 Å²	160	40.5 Å²	40.5	70%	0.696	22%	0.223	S	C	*	.	H	α-helix	trans	-59	-43.6	179.2	-177.5	178.5	177.6	-179.5	0	111.3	E121 S129	E121-K125 WeakPolarHBondContact O-CB 3.4Å; E121-K125 PolarHBondContact O-N 3.11Å; K125-S129 PolarHBondContact O-N 3.18Å; K125-S129 PolarHBondContact O-OG 3.06Å
126	A	98.7	Very high	98.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-42.4	178.1	0	0	0	0	0	112.8	H76 F122 I123 H124 S129 G131 V133	H76-A126 HydrophobicContact CB-CB 3.93Å; H76-A126 WeakPolarHBondContact CD2-CB 3.18Å; F122-A126 WeakPolarHBondContact O-CB 3.46Å; F122-A126 PolarHBondContact O-N 3.5Å; F122-A126 VanDerWaalsContact O-N 3.15Å; I123-A126 PolarHBondContact O-N 3.12Å; H124-A126 VanDerWaalsContact C-N 3.29Å; H124-A126 PolarHBondContact O-N 3.24Å; A126-S129 PolarHBondContact O-OG 3.47Å; A126-G131 VanDerWaalsContact O-CA 3.26Å; A126-G131 WeakPolarHBondContact O-CA 3.37Å; A126-G131 PolarHBondContact O-N 3.17Å; A126-V133 HydrophobicContact CB-CG2 3.44Å; A126-V133 VanDerWaalsContact CB-CG2 3.44Å
127	L	98.6	Very high	98.5	Very high	10 Å²	10	39 Å²	39	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-72.3	-39.7	179.1	-66.8	173.6	0	0	0	111.8	R54 L55 I123 H124 S129 G130 V133 Y151	R54-L127 HydrophobicContact CB-CD2 3.72Å; R54-L127 VanDerWaalsContact CZ-O 3.29Å; R54-L127 PolarHBondContact NH1-O 3.39Å; R54-L127 PolarHBondContact NH2-O 2.97Å; L55-L127 HydrophobicContact CB-CD1 4.34Å; L55-L127 HydrophobicContact CB-CD2 4.49Å; I123-L127 HydrophobicContact CG2-CD1 3.65Å; I123-L127 HydrophobicContact CG2-CG 4.3Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.44Å; I123-L127 PolarHBondContact O-N 2.92Å; H124-L127 PolarHBondContact O-N 3.25Å; L127-S129 PolarHBondContact O-N 2.76Å; L127-G130 PolarHBondContact O-N 2.64Å; L127-G130 VanDerWaalsContact O-N 3.14Å; L127-V133 HydrophobicContact CD2-CG2 3.9Å; L127-V133 HydrophobicContact CG-CG2 3.98Å; L127-Y151 HydrophobicContact CD1-CE1 4.09Å; L127-Y151 VanDerWaalsContact CD1-OH 3.22Å; L127-Y151 WeakPolarHBondContact CD1-OH 3.07Å
128	S	98.1	Very high	98.3	Very high	83 Å²	83	37.2 Å²	37.2	58%	0.58	22%	0.216	S	C	*	.	H	α-helix	trans	-66.2	-24.4	178.2	-64.9	0	0	0	0	113	H124 G130	H124-S128 PolarHBondContact CE1-OG 3.48Å; H124-S128 PolarHBondContact NE2-OG 2.9Å; H124-S128 VanDerWaalsContact O-CB 3.31Å; H124-S128 WeakPolarHBondContact O-CB 3.24Å; H124-S128 PolarHBondContact O-N 2.98Å; H124-S128 PolarHBondContact O-OG 3.28Å; S128-G130 VanDerWaalsContact C-N 3.32Å
129	S	97.4	Very high	98.1	Very high	86 Å²	86	38.5 Å²	38.5	60%	0.601	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	8.7	174.5	65.3	0	0	0	0	114.5	K125 A126 L127 G131	K125-S129 PolarHBondContact O-N 3.18Å; K125-S129 PolarHBondContact O-OG 3.06Å; A126-S129 PolarHBondContact O-OG 3.47Å; L127-S129 PolarHBondContact O-N 2.76Å; S129-G131 VanDerWaalsContact C-N 3.33Å
130	G	98	Very high	98	Very high	55 Å²	55	38.5 Å²	38.5	57%	0.567	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	2.7	-177.9	0	0	0	0	0	114.6	R54 L127 S128	R54-G130 PolarHBondContact NH1-O 2.79Å; L127-G130 PolarHBondContact O-N 2.64Å; L127-G130 VanDerWaalsContact O-N 3.14Å; S128-G130 VanDerWaalsContact C-N 3.32Å
131	G	98.6	Very high	97.8	Very high	6 Å²	6	40.2 Å²	40.2	6%	0.062	23%	0.233	C	C	.	.			trans	-71.7	171.9	-179.8	0	0	0	0	0	115.2	R54 T75 A126 S129	R54-G131 PolarHBondContact NH1-O 3.06Å; T75-G131 WeakPolarHBondContact OG1-CA 3.38Å; A126-G131 VanDerWaalsContact O-CA 3.26Å; A126-G131 WeakPolarHBondContact O-CA 3.37Å; A126-G131 PolarHBondContact O-N 3.17Å; S129-G131 VanDerWaalsContact C-N 3.33Å
132	K	98.8	Very high	97.8	Very high	68 Å²	68	36.7 Å²	36.7	30%	0.296	22%	0.217	S	C	.	.			trans	-120.3	132.2	170.2	-63.2	-172.8	-177.6	-174.6	0	109.8	R54 Y56 L72 I74 T75 H76	R54-K132 HydrophobicContact CB-CB 4.47Å; R54-K132 HydrophobicContact CB-CG 3.98Å; R54-K132 HydrophobicContact CG-CG 4.03Å; R54-K132 CarbonylContact O-C 3.49Å; R54-K132 WeakPolarHBondContact O-CA 3.45Å; Y56-K132 HydrophobicContact CE2-CD 4.42Å; L72-K132 WeakPolarHBondContact O-CD 3.45Å; L72-K132 PolarHBondContact O-NZ 3.09Å; I74-K132 HydrophobicContact CD1-CB 4.2Å; T75-K132 PolarHBondContact N-O 3.28Å; T75-K132 PolarHBondContact OG1-N 2.88Å; T75-K132 PolarHBondContact OG1-O 3.34Å; H76-K132 PolarHBondContact N-O 3.47Å
133	V	98.9	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.7	-170.9	-170.3	0	0	0	0	109.9	R54 L55 Y56 H76 F122 I123 A126 L127 V135	R54-V133 PolarHBondContact O-N 3.39Å; L55-V133 HydrophobicContact CD1-CB 3.88Å; L55-V133 HydrophobicContact CD1-CG1 4.08Å; Y56-V133 PolarHBondContact N-O 2.99Å; H76-V133 HydrophobicContact CB-CG1 4.32Å; H76-V133 HydrophobicContact CB-CG2 4.17Å; H76-V133 WeakPolarHBondContact O-CA 3.26Å; F122-V133 HydrophobicContact CE1-CG1 4.39Å; I123-V133 HydrophobicContact CG1-CG1 4.33Å; A126-V133 HydrophobicContact CB-CG2 3.44Å; A126-V133 VanDerWaalsContact CB-CG2 3.44Å; L127-V133 HydrophobicContact CD2-CG2 3.9Å; L127-V133 HydrophobicContact CG-CG2 3.98Å; V133-V135 HydrophobicContact CG1-CG2 3.98Å
134	L	98.8	Very high	97.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.3	163.4	173	65.1	0	0	0	109.2	A48 I62 L69 I74 H76 I77 L78 H136	A48-L134 HydrophobicContact CB-CD1 4.47Å; I62-L134 HydrophobicContact CG1-CD2 4.25Å; I62-L134 HydrophobicContact CG2-CD1 4.26Å; I62-L134 HydrophobicContact CG2-CD2 4.14Å; L69-L134 HydrophobicContact CD2-CD2 3.56Å; I74-L134 HydrophobicContact CD1-CB 4.18Å; I74-L134 HydrophobicContact CG1-CB 4.37Å; I74-L134 HydrophobicContact CG2-CB 3.97Å; H76-L134 PolarHBondContact O-N 3.07Å; I77-L134 WeakPolarHBondContact CA-O 3.34Å; I77-L134 HydrophobicContact CG1-CB 4.34Å; L78-L134 PolarHBondContact N-O 2.99Å; L134-H136 HydrophobicContact CD1-CB 4.41Å; L134-H136 HydrophobicContact CG-CB 4.27Å
135	V	98.8	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.8	169.5	-172.6	0	0	0	0	108	L55 Y56 I57 G58 L78 C80 I123 V133 V148	L55-V135 HydrophobicContact CD1-CG2 3.69Å; Y56-V135 PolarHBondContact O-N 3.07Å; I57-V135 VanDerWaalsContact CA-O 3.32Å; I57-V135 WeakPolarHBondContact CA-O 3.42Å; G58-V135 PolarHBondContact N-O 2.91Å; G58-V135 VanDerWaalsContact N-O 3.1Å; L78-V135 HydrophobicContact CB-CB 4.42Å; L78-V135 HydrophobicContact CB-CG1 4.2Å; L78-V135 HydrophobicContact CB-CG2 4.1Å; L78-V135 HydrophobicContact CD2-CG1 3.87Å; L78-V135 HydrophobicContact CD2-CG2 4.17Å; L78-V135 HydrophobicContact CG-CG1 4.13Å; L78-V135 WeakPolarHBondContact O-CA 3.29Å; C80-V135 WeakPolarHBondContact SG-CG1 3.08Å; I123-V135 HydrophobicContact CD1-CG2 3.95Å; I123-V135 HydrophobicContact CG1-CG2 4.14Å; V133-V135 HydrophobicContact CG1-CG2 3.98Å; V135-V148 HydrophobicContact CB-CG2 3.78Å; V135-V148 HydrophobicContact CG1-CG2 3.97Å; V135-V148 HydrophobicContact CG2-CG2 3.79Å
136	H	98.3	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.2	-175	83.8	94.2	0	0	0	112.6	G58 A63 L78 N79 C80 L134	G58-H136 VanDerWaalsContact O-CA 3.23Å; G58-H136 WeakPolarHBondContact O-CA 3.3Å; G58-H136 VanDerWaalsContact O-CB 3.28Å; G58-H136 WeakPolarHBondContact O-CB 3.22Å; A63-H136 VanDerWaalsContact CB-CE1 3.45Å; A63-H136 WeakPolarHBondContact CB-CE1 3.17Å; L78-H136 PolarHBondContact O-N 2.86Å; N79-H136 VanDerWaalsContact CB-NE2 3.34Å; N79-H136 WeakPolarHBondContact CB-NE2 3.3Å; N79-H136 PolarHBondContact OD1-CE1 3.4Å; C80-H136 WeakPolarHBondContact CB-O 3.35Å; C80-H136 PolarHBondContact N-O 2.75Å; C80-H136 PolarHBondContact SG-O 2.97Å; L134-H136 HydrophobicContact CD1-CB 4.41Å; L134-H136 HydrophobicContact CG-CB 4.27Å
137	C	96.3	Very high	97.7	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	17%	0.17	C	C	.	.			trans	-135.7	-150.2	164.7	70	0	0	0	0	108	G58 D59 Q60 C80 A81 G140 R143 S144	G58-C137 PolarHBondContact O-N 3.29Å; D59-C137 CarbonylContact C-O 3.46Å; Q60-C137 PolarHBondContact N-O 3.3Å; C80-C137 HydrophobicContact CB-CB 4.2Å; A81-C137 HydrophobicContact CB-CB 4.06Å; C137-G140 VanDerWaalsContact SG-CA 3.6Å; C137-G140 PolarHBondContact SG-N 2.98Å; C137-R143 HydrophobicContact CB-CB 3.94Å; C137-S144 PolarHBondContact SG-OG 3.47Å; C137-S144 VanDerWaalsContact SG-OG 3.4Å
138	T	95.1	Very high	97.8	Very high	73 Å²	73	25.7 Å²	25.7	45%	0.448	17%	0.167	S	C	.	.	S	Bend	trans	-67.7	-50.1	176.9	-48.3	0	0	0	0	112.1	Q60 R143	Q60-T138 PolarHBondContact N-O 2.82Å; T138-R143 PolarHBondContact OG1-NH2 2.84Å
139	V	95.4	Very high	97.8	Very high	94 Å²	94	21.7 Å²	21.7	57%	0.57	14%	0.14	S	C	*	.	S	Bend	trans	-111.5	-15.2	-175.8	-171	0	0	0	0	112.2	D59 V141 R171	D59-V139 WeakPolarHBondContact CB-O 3.32Å; V139-V141 HydrophobicContact CB-CG2 4.37Å; V139-V141 HydrophobicContact CG1-CG2 3.8Å; V139-R171 PolarHBondContact O-NH2 3.4Å
140	G	95.3	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	75.5	30.2	-179	0	0	0	0	0	114.7	I57 G58 C137 S144 R171	I57-G140 VanDerWaalsContact CG2-O 3.3Å; I57-G140 WeakPolarHBondContact CG2-O 3.36Å; G58-G140 WeakPolarHBondContact O-CA 3.36Å; C137-G140 VanDerWaalsContact SG-CA 3.6Å; C137-G140 PolarHBondContact SG-N 2.98Å; G140-S144 WeakPolarHBondContact CA-OG 3.29Å; G140-R171 PolarHBondContact O-NE 3.45Å
141	V	95.7	Very high	97.9	Very high	36 Å²	36	15.2 Å²	15.2	22%	0.218	9%	0.085	C	C	.	.	S	Bend	trans	-121.4	-37.6	-171	173.1	0	0	0	0	113.5	V139 A145 I174	V139-V141 HydrophobicContact CB-CG2 4.37Å; V139-V141 HydrophobicContact CG1-CG2 3.8Å; V141-A145 VanDerWaalsContact O-CB 3.28Å; V141-A145 WeakPolarHBondContact O-CB 3.43Å; V141-I174 HydrophobicContact CG1-CB 4.28Å; V141-I174 HydrophobicContact CG1-CG2 3.39Å; V141-I174 CarbonylContact O-C 3.58Å; V141-I174 PolarHBondContact O-N 3.3Å
142	S	97.7	Very high	97.9	Very high	7 Å²	7	14.9 Å²	14.9	5%	0.049	8%	0.082	C	C	.	.	S	Bend	trans	-113.9	-74.2	-172.7	172.2	0	0	0	0	112.9	D106 S144 A145 T146 N176 F179	D106-S142 WeakPolarHBondContact OD1-CB 3.36Å; D106-S142 PolarHBondContact OD1-OG 3.02Å; D106-S142 WeakPolarHBondContact OD2-CB 3.4Å; D106-S142 PolarHBondContact OD2-OG 3.02Å; S142-S144 PolarHBondContact O-N 3.1Å; S142-A145 PolarHBondContact O-N 2.9Å; S142-T146 WeakPolarHBondContact O-CB 3.46Å; S142-T146 PolarHBondContact O-N 3.3Å; S142-T146 PolarHBondContact O-OG1 3.39Å; S142-N176 PolarHBondContact OG-N 3.36Å; S142-F179 WeakPolarHBondContact OG-CD2 3.13Å
143	R	98.5	Very high	97.9	Very high	28 Å²	28	11.7 Å²	11.7	11%	0.106	7%	0.068	C	C	.	.	H	α-helix	trans	-57.4	-51.9	-176.4	-69.3	168.1	-78.1	175.9	-2.8	113.8	C80 A104 D106 M112 C137 T138 T146 L147 F179	C80-R143 HydrophobicContact CB-CB 3.98Å; C80-R143 WeakPolarHBondContact O-CD 3.27Å; A104-R143 WeakPolarHBondContact O-CD 3.47Å; A104-R143 PolarHBondContact O-NH1 2.9Å; D106-R143 HydrophobicContact CB-CG 4.14Å; M112-R143 HydrophobicContact CE-CB 3.8Å; M112-R143 HydrophobicContact CE-CG 3.63Å; C137-R143 HydrophobicContact CB-CB 3.94Å; T138-R143 PolarHBondContact OG1-NH2 2.84Å; R143-T146 WeakPolarHBondContact O-CB 3.28Å; R143-T146 PolarHBondContact O-N 3.06Å; R143-L147 PolarHBondContact O-N 2.86Å; R143-F179 HydrophobicContact CB-CE2 4.46Å; R143-F179 HydrophobicContact CG-CE2 3.64Å; R143-F179 HydrophobicContact CG-CZ 4.1Å
144	S	98.4	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.1	-43.7	178.6	49.4	0	0	0	0	112.4	C137 G140 S142 T146 L147 V148	C137-S144 PolarHBondContact SG-OG 3.47Å; C137-S144 VanDerWaalsContact SG-OG 3.4Å; G140-S144 WeakPolarHBondContact CA-OG 3.29Å; S142-S144 PolarHBondContact O-N 3.1Å; S144-T146 VanDerWaalsContact C-N 3.29Å; S144-T146 PolarHBondContact O-N 3.07Å; S144-L147 PolarHBondContact O-N 3.17Å; S144-V148 PolarHBondContact O-N 2.95Å
145	A	98.3	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.1	-41.4	175.6	0	0	0	0	0	111.8	I57 V141 S142 L147 V148 L149 V173 P175	I57-A145 HydrophobicContact CD1-CB 4.33Å; V141-A145 VanDerWaalsContact O-CB 3.28Å; V141-A145 WeakPolarHBondContact O-CB 3.43Å; S142-A145 PolarHBondContact O-N 2.9Å; A145-L147 PolarHBondContact O-N 2.88Å; A145-V148 PolarHBondContact O-N 2.86Å; A145-L149 WeakPolarHBondContact O-CB 3.35Å; A145-L149 VanDerWaalsContact O-CG 3.22Å; A145-L149 WeakPolarHBondContact O-CG 3.5Å; A145-L149 PolarHBondContact O-N 2.86Å; A145-V173 HydrophobicContact CB-CB 3.67Å; A145-V173 HydrophobicContact CB-CG1 3.64Å; A145-V173 HydrophobicContact CB-CG2 4.35Å; A145-P175 HydrophobicContact CB-CG 4.27Å
146	T	98.8	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.7	-48.1	178.2	-56.3	0	0	0	0	111.7	M112 F116 S142 R143 S144 L149 A150 P175 F179 L183	M112-T146 HydrophobicContact CG-CG2 3.94Å; F116-T146 HydrophobicContact CE1-CG2 3.76Å; F116-T146 HydrophobicContact CZ-CG2 4.19Å; S142-T146 WeakPolarHBondContact O-CB 3.46Å; S142-T146 PolarHBondContact O-N 3.3Å; S142-T146 PolarHBondContact O-OG1 3.39Å; R143-T146 WeakPolarHBondContact O-CB 3.28Å; R143-T146 PolarHBondContact O-N 3.06Å; S144-T146 VanDerWaalsContact C-N 3.29Å; S144-T146 PolarHBondContact O-N 3.07Å; T146-L149 PolarHBondContact O-N 3.35Å; T146-A150 WeakPolarHBondContact O-CB 3.41Å; T146-A150 PolarHBondContact O-N 3.04Å; T146-P175 WeakPolarHBondContact OG1-CB 3.48Å; T146-F179 HydrophobicContact CG2-CB 3.8Å; T146-F179 HydrophobicContact CG2-CD2 4.39Å; T146-F179 HydrophobicContact CG2-CG 4.15Å; T146-F179 VanDerWaalsContact OG1-CD2 3.3Å; T146-F179 WeakPolarHBondContact OG1-CD2 3.34Å; T146-L183 HydrophobicContact CG2-CD1 4Å; T146-L183 HydrophobicContact CG2-CD2 4.31Å; T146-L183 HydrophobicContact CG2-CG 4.06Å
147	L	98.9	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71	-32.3	-179.5	-63.3	-173.7	0	0	0	112.8	L78 C80 I102 M112 N115 F116 A119 R143 S144 A145 Y151	L78-L147 HydrophobicContact CD2-CD1 4.29Å; C80-L147 HydrophobicContact CB-CD1 4.3Å; I102-L147 HydrophobicContact CD1-CD1 3.47Å; I102-L147 VanDerWaalsContact CD1-CD1 3.47Å; M112-L147 HydrophobicContact CG-CD2 3.79Å; M112-L147 HydrophobicContact CG-CG 4.47Å; M112-L147 HydrophobicContact SD-CD1 4.31Å; M112-L147 HydrophobicContact SD-CD2 3.85Å; M112-L147 HydrophobicContact SD-CG 4.12Å; N115-L147 HydrophobicContact CB-CD2 4.11Å; F116-L147 HydrophobicContact CD1-CD2 3.77Å; F116-L147 HydrophobicContact CE1-CD2 4.22Å; A119-L147 HydrophobicContact CB-CB 4.19Å; A119-L147 HydrophobicContact CB-CD1 3.85Å; A119-L147 HydrophobicContact CB-CD2 4.2Å; A119-L147 HydrophobicContact CB-CG 4.31Å; R143-L147 PolarHBondContact O-N 2.86Å; S144-L147 PolarHBondContact O-N 3.17Å; A145-L147 PolarHBondContact O-N 2.88Å; L147-Y151 WeakPolarHBondContact O-CB 3.43Å; L147-Y151 PolarHBondContact O-N 2.93Å
148	V	98.9	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-42.8	172.5	168.9	0	0	0	0	111.6	V51 L55 I57 V135 S144 A145 Y151 L152 V167	V51-V148 HydrophobicContact CG2-CG1 3.93Å; L55-V148 HydrophobicContact CD1-CG2 4.41Å; L55-V148 HydrophobicContact CD2-CG1 3.96Å; L55-V148 HydrophobicContact CD2-CG2 4.39Å; I57-V148 HydrophobicContact CD1-CB 3.92Å; I57-V148 HydrophobicContact CD1-CG1 3.97Å; I57-V148 HydrophobicContact CD1-CG2 4.05Å; I57-V148 HydrophobicContact CG1-CB 4.2Å; I57-V148 HydrophobicContact CG1-CG1 4.34Å; I57-V148 HydrophobicContact CG1-CG2 3.75Å; V135-V148 HydrophobicContact CB-CG2 3.78Å; V135-V148 HydrophobicContact CG1-CG2 3.97Å; V135-V148 HydrophobicContact CG2-CG2 3.79Å; S144-V148 PolarHBondContact O-N 2.95Å; A145-V148 PolarHBondContact O-N 2.86Å; V148-Y151 WeakPolarHBondContact O-CB 3.48Å; V148-Y151 PolarHBondContact O-N 3.43Å; V148-L152 HydrophobicContact CG1-CD1 4.41Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 3.28Å; V148-V167 HydrophobicContact CG1-CG2 4.14Å
149	L	98.8	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-46.6	174.8	-68.9	171.6	0	0	0	110.9	A145 T146 Y151 L152 M153 A163 I164 V167 P175 L183	A145-L149 WeakPolarHBondContact O-CB 3.35Å; A145-L149 VanDerWaalsContact O-CG 3.22Å; A145-L149 WeakPolarHBondContact O-CG 3.5Å; A145-L149 PolarHBondContact O-N 2.86Å; T146-L149 PolarHBondContact O-N 3.35Å; L149-Y151 VanDerWaalsContact C-N 3.34Å; L149-Y151 PolarHBondContact O-N 3.03Å; L149-L152 PolarHBondContact O-N 2.73Å; L149-M153 VanDerWaalsContact O-CG 3.28Å; L149-M153 WeakPolarHBondContact O-CG 3.45Å; L149-M153 PolarHBondContact O-N 3.31Å; L149-A163 HydrophobicContact CD2-CB 3.81Å; L149-A163 WeakPolarHBondContact CD2-O 3.25Å; L149-I164 HydrophobicContact CD1-CG1 4.07Å; L149-I164 HydrophobicContact CD2-CG1 3.97Å; L149-V167 HydrophobicContact CD2-CB 4.24Å; L149-V167 HydrophobicContact CD2-CG2 3.87Å; L149-P175 HydrophobicContact CD1-CG 4.02Å; L149-L183 HydrophobicContact CB-CD1 4.1Å; L149-L183 HydrophobicContact CB-CD2 4.24Å; L149-L183 HydrophobicContact CD1-CD1 3.84Å
150	A	98.8	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.9	-43.8	175.4	0	0	0	0	0	111.9	F116 T146 L152 M153 I154 L183 L186	F116-A150 HydrophobicContact CB-CB 4.04Å; F116-A150 HydrophobicContact CD1-CB 3.77Å; F116-A150 HydrophobicContact CD2-CB 4.33Å; F116-A150 HydrophobicContact CE1-CB 4.27Å; F116-A150 HydrophobicContact CG-CB 3.79Å; T146-A150 WeakPolarHBondContact O-CB 3.41Å; T146-A150 PolarHBondContact O-N 3.04Å; A150-L152 PolarHBondContact O-N 2.87Å; A150-M153 PolarHBondContact O-N 3Å; A150-I154 HydrophobicContact CB-CD1 4.48Å; A150-I154 WeakPolarHBondContact O-CB 3.3Å; A150-I154 WeakPolarHBondContact O-CD1 3.46Å; A150-I154 VanDerWaalsContact O-CG1 3.22Å; A150-I154 WeakPolarHBondContact O-CG1 3.48Å; A150-I154 PolarHBondContact O-N 3.45Å; A150-L183 HydrophobicContact CB-CD2 3.94Å; A150-L186 HydrophobicContact CB-CD2 3.99Å
151	Y	98.9	Very high	97.9	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.016	10%	0.096	C	C	.	.	H	α-helix	trans	-57.6	-47.7	174.9	160.7	-101	0	0	0	112.4	L55 A120 I123 H124 L127 L147 V148 L149 M153 I154 R155 Q156	L55-Y151 HydrophobicContact CD2-CD1 3.66Å; L55-Y151 HydrophobicContact CD2-CE1 3.68Å; A120-Y151 HydrophobicContact CB-CD2 4.22Å; I123-Y151 HydrophobicContact CB-CD2 3.8Å; I123-Y151 HydrophobicContact CB-CE2 4.11Å; I123-Y151 HydrophobicContact CB-CG 4.12Å; I123-Y151 HydrophobicContact CD1-CG 4.1Å; I123-Y151 HydrophobicContact CG2-CD1 3.83Å; I123-Y151 HydrophobicContact CG2-CD2 3.63Å; I123-Y151 HydrophobicContact CG2-CE1 3.83Å; I123-Y151 HydrophobicContact CG2-CE2 3.63Å; I123-Y151 HydrophobicContact CG2-CG 3.74Å; H124-Y151 HydrophobicContact CB-CE2 3.98Å; L127-Y151 HydrophobicContact CD1-CE1 4.09Å; L127-Y151 VanDerWaalsContact CD1-OH 3.22Å; L127-Y151 WeakPolarHBondContact CD1-OH 3.07Å; L147-Y151 WeakPolarHBondContact O-CB 3.43Å; L147-Y151 PolarHBondContact O-N 2.93Å; V148-Y151 WeakPolarHBondContact O-CB 3.48Å; V148-Y151 PolarHBondContact O-N 3.43Å; L149-Y151 VanDerWaalsContact C-N 3.34Å; L149-Y151 PolarHBondContact O-N 3.03Å; Y151-M153 VanDerWaalsContact C-N 3.29Å; Y151-M153 PolarHBondContact O-N 3.31Å; Y151-I154 PolarHBondContact O-N 3.04Å; Y151-R155 HydrophobicContact CD2-CB 3.93Å; Y151-R155 HydrophobicContact CD2-CG 3.92Å; Y151-R155 HydrophobicContact CE2-CB 3.61Å; Y151-R155 HydrophobicContact CE2-CG 3.9Å; Y151-R155 WeakPolarHBondContact O-CB 3.39Å; Y151-R155 PolarHBondContact O-N 2.95Å; Y151-Q156 HydrophobicContact CE1-CG 4.24Å; Y151-Q156 PolarHBondContact OH-NE2 3.21Å
152	L	98.8	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-39.1	178.9	-68.1	176.3	0	0	0	111.5	W52 V148 L149 A150 Q156 N157 L158 A163 T166 V167	W52-L152 HydrophobicContact CB-CD2 4.32Å; W52-L152 HydrophobicContact CD2-CD2 3.72Å; W52-L152 HydrophobicContact CE3-CD2 3.89Å; W52-L152 HydrophobicContact CG-CD2 3.93Å; W52-L152 HydrophobicContact CZ3-CD2 4.47Å; V148-L152 HydrophobicContact CG1-CD1 4.41Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 3.28Å; L149-L152 PolarHBondContact O-N 2.73Å; A150-L152 PolarHBondContact O-N 2.87Å; L152-Q156 HydrophobicContact CD2-CB 4.37Å; L152-Q156 HydrophobicContact CD2-CG 3.86Å; L152-Q156 CarbonylContact O-C 3.57Å; L152-Q156 VanDerWaalsContact O-CA 3.3Å; L152-Q156 WeakPolarHBondContact O-CA 3.46Å; L152-Q156 VanDerWaalsContact O-CB 3.25Å; L152-Q156 WeakPolarHBondContact O-CB 3.42Å; L152-Q156 PolarHBondContact O-N 2.86Å; L152-N157 PolarHBondContact O-N 3.02Å; L152-L158 HydrophobicContact CB-CD1 4.1Å; L152-L158 PolarHBondContact O-N 3.24Å; L152-A163 HydrophobicContact CB-CB 3.98Å; L152-A163 HydrophobicContact CD1-CB 4.26Å; L152-T166 HydrophobicContact CD1-CG2 4.19Å; L152-V167 HydrophobicContact CD1-CG2 3.73Å
153	M	98.6	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-47.4	176.5	-65.5	164.7	63.3	0	0	112.1	L149 A150 Y151 L158 L160 A163 L183 L186 D187 L190 R194	L149-M153 VanDerWaalsContact O-CG 3.28Å; L149-M153 WeakPolarHBondContact O-CG 3.45Å; L149-M153 PolarHBondContact O-N 3.31Å; A150-M153 PolarHBondContact O-N 3Å; Y151-M153 VanDerWaalsContact C-N 3.29Å; Y151-M153 PolarHBondContact O-N 3.31Å; M153-L158 WeakPolarHBondContact CA-O 3.4Å; M153-L160 HydrophobicContact CE-CB 4Å; M153-L160 HydrophobicContact SD-CB 3.98Å; M153-L160 HydrophobicContact SD-CD1 3.8Å; M153-L160 HydrophobicContact SD-CG 4.48Å; M153-A163 HydrophobicContact CG-CB 4.07Å; M153-L183 HydrophobicContact SD-CD2 4.1Å; M153-L186 HydrophobicContact CB-CD2 4.47Å; M153-L186 HydrophobicContact CE-CB 4.12Å; M153-L186 HydrophobicContact CE-CD2 3.88Å; M153-L186 HydrophobicContact CE-CG 3.88Å; M153-L186 HydrophobicContact SD-CD2 4.24Å; M153-D187 HydrophobicContact CE-CB 3.65Å; M153-L190 HydrophobicContact CB-CD1 3.78Å; M153-L190 HydrophobicContact CE-CD1 4.33Å; M153-R194 PolarHBondContact O-NH2 2.99Å
154	I	98.5	Very high	97.9	Very high	29 Å²	29	19.1 Å²	19.1	15%	0.149	9%	0.093	C	C	.	.	H	α-helix	trans	-72.9	-44.1	-174.7	-65.9	164.8	0	0	0	111.4	F116 Y117 A120 A150 Y151 L186 L190	F116-I154 HydrophobicContact CB-CD1 4.13Å; Y117-I154 HydrophobicContact CD1-CD1 4.18Å; Y117-I154 HydrophobicContact CD1-CG2 4.02Å; Y117-I154 HydrophobicContact CD2-CD1 4.24Å; Y117-I154 HydrophobicContact CE1-CD1 4.18Å; Y117-I154 HydrophobicContact CE1-CG1 4.31Å; Y117-I154 HydrophobicContact CE1-CG2 3.76Å; Y117-I154 HydrophobicContact CE2-CD1 4.25Å; Y117-I154 HydrophobicContact CG-CD1 4.21Å; A120-I154 HydrophobicContact CB-CB 4.33Å; A120-I154 HydrophobicContact CB-CD1 4.05Å; A120-I154 HydrophobicContact CB-CG2 4.34Å; A150-I154 HydrophobicContact CB-CD1 4.48Å; A150-I154 WeakPolarHBondContact O-CB 3.3Å; A150-I154 WeakPolarHBondContact O-CD1 3.46Å; A150-I154 VanDerWaalsContact O-CG1 3.22Å; A150-I154 WeakPolarHBondContact O-CG1 3.48Å; A150-I154 PolarHBondContact O-N 3.45Å; Y151-I154 PolarHBondContact O-N 3.04Å; I154-L186 HydrophobicContact CD1-CD1 4.45Å; I154-L186 HydrophobicContact CD1-CD2 4.11Å; I154-L186 HydrophobicContact CG1-CD1 4.34Å; I154-L186 HydrophobicContact CG1-CD2 4.12Å; I154-L190 HydrophobicContact CG1-CD1 4.13Å
155	R	98.1	Very high	97.8	Very high	79 Å²	79	25.5 Å²	25.5	30%	0.298	12%	0.117	S	C	.	.	H	α-helix	trans	-108.3	-21.1	-168.2	-62.3	-63.1	-108.9	-140.3	-16	115.1	A120 E121 H124 Y151	A120-R155 HydrophobicContact CB-CG 4.31Å; E121-R155 IonicContact OE1-CZ 3.69Å; E121-R155 IonicContact OE1-NE 2.64Å; E121-R155 IonicContact OE1-NH1 3.12Å; E121-R155 PolarHBondContact OE1-NH1 3.25Å; E121-R155 IonicContact OE1-NH2 3.5Å; E121-R155 PolarHBondContact OE1-NH2 3.48Å; E121-R155 IonicContact OE2-CZ 2.75Å; E121-R155 IonicContact OE2-NH1 2.63Å; E121-R155 IonicContact OE2-NH2 3.81Å; E121-R155 PolarHBondContact OE2-NH2 3.08Å; H124-R155 HydrophobicContact CB-CG 4.13Å; H124-R155 PolarHBondContact CD2-NE 3.29Å; H124-R155 PolarHBondContact CD2-NH2 2.98Å; Y151-R155 HydrophobicContact CD2-CB 3.93Å; Y151-R155 HydrophobicContact CD2-CG 3.92Å; Y151-R155 HydrophobicContact CE2-CB 3.61Å; Y151-R155 HydrophobicContact CE2-CG 3.9Å; Y151-R155 WeakPolarHBondContact O-CB 3.39Å; Y151-R155 PolarHBondContact O-N 2.95Å
156	Q	97.5	Very high	97.7	Very high	62 Å²	62	27.2 Å²	27.2	29%	0.29	13%	0.127	S	C	.	.	S	Bend	trans	-107.1	8.1	177	-52.3	-55.8	-42.9	0	0	112.2	W52 Y151 L152 L158	W52-Q156 HydrophobicContact CZ2-CB 4.4Å; W52-Q156 HydrophobicContact CZ2-CG 3.9Å; Y151-Q156 HydrophobicContact CE1-CG 4.24Å; Y151-Q156 PolarHBondContact OH-NE2 3.21Å; L152-Q156 HydrophobicContact CD2-CB 4.37Å; L152-Q156 HydrophobicContact CD2-CG 3.86Å; L152-Q156 CarbonylContact O-C 3.57Å; L152-Q156 VanDerWaalsContact O-CA 3.3Å; L152-Q156 WeakPolarHBondContact O-CA 3.46Å; L152-Q156 VanDerWaalsContact O-CB 3.25Å; L152-Q156 WeakPolarHBondContact O-CB 3.42Å; L152-Q156 PolarHBondContact O-N 2.86Å; Q156-L158 HydrophobicContact CB-CG 4.19Å; Q156-L158 PolarHBondContact O-N 3.12Å; Q156-L158 VanDerWaalsContact O-N 3.15Å
157	N	96.2	Very high	97.6	Very high	93 Å²	93	27.2 Å²	27.2	50%	0.497	13%	0.127	S	C	.	.			trans	56.9	27.7	176.7	-162.4	44.9	0	0	0	113.9	L152 R194	L152-N157 PolarHBondContact O-N 3.02Å; N157-R194 PolarHBondContact O-NH1 2.95Å; N157-R194 WeakPolarHBondContact OD1-CD 3.29Å; N157-R194 PolarHBondContact OD1-NE 3.43Å
158	L	96.5	Very high	97.3	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.157	13%	0.132	C	C	.	.			trans	-81.9	151.7	176.7	-58.4	-167.8	0	0	0	110.7	L152 M153 Q156 E162 A163 R194	L152-L158 HydrophobicContact CB-CD1 4.1Å; L152-L158 PolarHBondContact O-N 3.24Å; M153-L158 WeakPolarHBondContact CA-O 3.4Å; Q156-L158 HydrophobicContact CB-CG 4.19Å; Q156-L158 PolarHBondContact O-N 3.12Å; Q156-L158 VanDerWaalsContact O-N 3.15Å; L158-E162 HydrophobicContact CB-CB 4.02Å; L158-E162 HydrophobicContact CD1-CB 4.4Å; L158-E162 HydrophobicContact CD2-CB 4.34Å; L158-E162 HydrophobicContact CG-CB 4.48Å; L158-A163 HydrophobicContact CB-CB 4.36Å; L158-A163 HydrophobicContact CD1-CB 4.48Å; L158-R194 PolarHBondContact O-NH1 3.07Å; L158-R194 PolarHBondContact O-NH2 2.59Å
159	T	96.9	Very high	96.9	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.08	16%	0.156	C	C	.	.			trans	-73	162.7	158.5	61.5	0	0	0	0	109.9	V161 E162 A163 D187	T159-V161 PolarHBondContact O-N 3.35Å; T159-E162 WeakPolarHBondContact CB-OE2 3.25Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.48Å; T159-E162 PolarHBondContact N-OE2 3.2Å; T159-E162 PolarHBondContact O-N 3.21Å; T159-E162 VanDerWaalsContact OG1-CD 3.28Å; T159-E162 VanDerWaalsContact OG1-CG 3.27Å; T159-E162 WeakPolarHBondContact OG1-CG 3.14Å; T159-E162 PolarHBondContact OG1-N 3.04Å; T159-E162 PolarHBondContact OG1-OE2 2.93Å; T159-A163 WeakPolarHBondContact O-CB 3.07Å; T159-A163 PolarHBondContact O-N 3.14Å; T159-D187 VanDerWaalsContact CA-OD1 3.31Å; T159-D187 WeakPolarHBondContact CA-OD1 3.35Å
160	L	97.3	Very high	96.7	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-55.6	-40.1	174.6	177	55.8	0	0	0	112.4	L34 M153 A163 I164 L183 N184 D187	L34-L160 HydrophobicContact CD1-CD2 3.73Å; L34-L160 HydrophobicContact CD2-CD2 4Å; L34-L160 HydrophobicContact CD2-CG 4.15Å; M153-L160 HydrophobicContact CE-CB 4Å; M153-L160 HydrophobicContact SD-CB 3.98Å; M153-L160 HydrophobicContact SD-CD1 3.8Å; M153-L160 HydrophobicContact SD-CG 4.48Å; L160-A163 PolarHBondContact O-N 3.25Å; L160-I164 HydrophobicContact CD1-CD1 3.84Å; L160-I164 HydrophobicContact CD1-CG1 4.06Å; L160-I164 HydrophobicContact CG-CD1 3.94Å; L160-I164 WeakPolarHBondContact O-CB 3.4Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.79Å; L160-L183 HydrophobicContact CD1-CB 3.86Å; L160-L183 HydrophobicContact CD1-CD1 4.07Å; L160-L183 HydrophobicContact CD1-CG 4.41Å; L160-L183 HydrophobicContact CD2-CB 3.95Å; L160-N184 HydrophobicContact CD2-CB 4.3Å; L160-D187 HydrophobicContact CB-CB 3.97Å; L160-D187 PolarHBondContact N-OD1 2.98Å
161	V	96.4	Very high	96.4	Very high	24 Å²	24	37.6 Å²	37.6	15%	0.145	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-43.9	179.8	177.6	0	0	0	0	111.4	L29 L37 T159 I164 R165	L29-V161 HydrophobicContact CD1-CG2 3.64Å; L29-V161 HydrophobicContact CG-CG2 3.89Å; L37-V161 HydrophobicContact CD2-CG1 4.07Å; T159-V161 PolarHBondContact O-N 3.35Å; V161-I164 PolarHBondContact O-N 2.93Å; V161-R165 WeakPolarHBondContact O-CG 3.16Å; V161-R165 PolarHBondContact O-N 3.35Å
162	E	96.5	Very high	96.2	Very high	65 Å²	65	38.8 Å²	38.8	30%	0.304	19%	0.192	S	C	.	.	H	α-helix	trans	-64.7	-42	176.3	-71.4	164.1	138.7	0	0	111.5	L158 T159 R165 T166	L158-E162 HydrophobicContact CB-CB 4.02Å; L158-E162 HydrophobicContact CD1-CB 4.4Å; L158-E162 HydrophobicContact CD2-CB 4.34Å; L158-E162 HydrophobicContact CG-CB 4.48Å; T159-E162 WeakPolarHBondContact CB-OE2 3.25Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.48Å; T159-E162 PolarHBondContact N-OE2 3.2Å; T159-E162 PolarHBondContact O-N 3.21Å; T159-E162 VanDerWaalsContact OG1-CD 3.28Å; T159-E162 VanDerWaalsContact OG1-CG 3.27Å; T159-E162 WeakPolarHBondContact OG1-CG 3.14Å; T159-E162 PolarHBondContact OG1-N 3.04Å; T159-E162 PolarHBondContact OG1-OE2 2.93Å; E162-R165 PolarHBondContact O-N 2.92Å; E162-T166 WeakPolarHBondContact O-CB 3Å; E162-T166 PolarHBondContact O-N 3.28Å; E162-T166 PolarHBondContact O-OG1 3.47Å
163	A	98	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-45	175.9	0	0	0	0	0	111.5	L149 L152 M153 L158 T159 L160 T166 V167	L149-A163 HydrophobicContact CD2-CB 3.81Å; L149-A163 WeakPolarHBondContact CD2-O 3.25Å; L152-A163 HydrophobicContact CB-CB 3.98Å; L152-A163 HydrophobicContact CD1-CB 4.26Å; M153-A163 HydrophobicContact CG-CB 4.07Å; L158-A163 HydrophobicContact CB-CB 4.36Å; L158-A163 HydrophobicContact CD1-CB 4.48Å; T159-A163 WeakPolarHBondContact O-CB 3.07Å; T159-A163 PolarHBondContact O-N 3.14Å; L160-A163 PolarHBondContact O-N 3.25Å; A163-T166 WeakPolarHBondContact O-CB 3.38Å; A163-T166 PolarHBondContact O-N 2.82Å; A163-V167 WeakPolarHBondContact O-CG2 3.28Å; A163-V167 PolarHBondContact O-N 3.46Å; A163-V167 VanDerWaalsContact O-N 3.08Å
164	I	97.1	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-46.8	176.5	-74	169.2	0	0	0	111.1	L34 L37 L38 L149 L160 V161 T166 V167 K168	L34-I164 HydrophobicContact CB-CD1 4.48Å; L34-I164 HydrophobicContact CD2-CD1 3.64Å; L37-I164 HydrophobicContact CD2-CB 4.09Å; L37-I164 HydrophobicContact CD2-CG2 3.54Å; L37-I164 HydrophobicContact CG-CG2 3.73Å; L38-I164 HydrophobicContact CD2-CG1 4.33Å; L38-I164 HydrophobicContact CD2-CG2 3.64Å; L38-I164 HydrophobicContact CG-CG2 4.01Å; L149-I164 HydrophobicContact CD1-CG1 4.07Å; L149-I164 HydrophobicContact CD2-CG1 3.97Å; L160-I164 HydrophobicContact CD1-CD1 3.84Å; L160-I164 HydrophobicContact CD1-CG1 4.06Å; L160-I164 HydrophobicContact CG-CD1 3.94Å; L160-I164 WeakPolarHBondContact O-CB 3.4Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.79Å; V161-I164 PolarHBondContact O-N 2.93Å; I164-T166 VanDerWaalsContact C-N 3.29Å; I164-T166 PolarHBondContact O-N 3.23Å; I164-V167 PolarHBondContact O-N 3.42Å; I164-K168 HydrophobicContact CG2-CD 4.07Å; I164-K168 VanDerWaalsContact O-CB 3.27Å; I164-K168 WeakPolarHBondContact O-CB 3.45Å; I164-K168 WeakPolarHBondContact O-CG 3.34Å; I164-K168 PolarHBondContact O-N 3.2Å
165	R	95.8	Very high	95.8	Very high	135 Å²	135	40.4 Å²	40.4	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-59.3	-42.6	177.5	-74.7	175.4	176.7	173.3	-0.6	111.7	L37 V161 E162 V167	L37-R165 HydrophobicContact CD1-CG 4.42Å; L37-R165 HydrophobicContact CD2-CG 4.49Å; V161-R165 WeakPolarHBondContact O-CG 3.16Å; V161-R165 PolarHBondContact O-N 3.35Å; E162-R165 PolarHBondContact O-N 2.92Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.03Å
166	T	96.4	Very high	95.8	Very high	36 Å²	36	37.9 Å²	37.9	22%	0.221	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-45.3	177.8	-58.4	0	0	0	0	111.7	W52 L152 E162 A163 I164 H170	W52-T166 HydrophobicContact CE3-CG2 3.65Å; W52-T166 HydrophobicContact CZ3-CG2 3.95Å; L152-T166 HydrophobicContact CD1-CG2 4.19Å; E162-T166 WeakPolarHBondContact O-CB 3Å; E162-T166 PolarHBondContact O-N 3.28Å; E162-T166 PolarHBondContact O-OG1 3.47Å; A163-T166 WeakPolarHBondContact O-CB 3.38Å; A163-T166 PolarHBondContact O-N 2.82Å; I164-T166 VanDerWaalsContact C-N 3.29Å; I164-T166 PolarHBondContact O-N 3.23Å; T166-H170 PolarHBondContact O-ND1 3.1Å
167	V	96.9	Very high	95.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-81	-43.9	-175.1	176.9	0	0	0	0	112.6	V51 I57 V148 L149 L152 A163 I164 R165 D169 H170 R171 V173	V51-V167 HydrophobicContact CB-CG1 4.23Å; V51-V167 HydrophobicContact CB-CG2 4.36Å; V51-V167 HydrophobicContact CG1-CG1 4.15Å; V51-V167 HydrophobicContact CG2-CG2 4.35Å; I57-V167 HydrophobicContact CD1-CG1 3.74Å; V148-V167 HydrophobicContact CG1-CG2 4.14Å; L149-V167 HydrophobicContact CD2-CB 4.24Å; L149-V167 HydrophobicContact CD2-CG2 3.87Å; L152-V167 HydrophobicContact CD1-CG2 3.73Å; A163-V167 WeakPolarHBondContact O-CG2 3.28Å; A163-V167 PolarHBondContact O-N 3.46Å; A163-V167 VanDerWaalsContact O-N 3.08Å; I164-V167 PolarHBondContact O-N 3.42Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.03Å; V167-D169 PolarHBondContact O-N 2.82Å; V167-D169 VanDerWaalsContact O-N 3.17Å; V167-H170 PolarHBondContact O-N 3.17Å; V167-R171 PolarHBondContact O-N 3.29Å; V167-V173 HydrophobicContact CG1-CB 4.49Å; V167-V173 HydrophobicContact CG1-CG1 3.95Å; V167-V173 HydrophobicContact CG1-CG2 3.72Å
168	K	93.4	Very high	95.9	Very high	20 Å²	20	35.3 Å²	35.3	9%	0.087	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-25.3	-168.7	81.1	-172.8	-174.6	77.9	0	114.1	L37 T40 G41 K42 I164 H170 R171	L37-K168 HydrophobicContact CD1-CD 4.28Å; L37-K168 HydrophobicContact CG-CD 4.27Å; L37-K168 WeakPolarHBondContact O-CD 3.41Å; T40-K168 PolarHBondContact OG1-NZ 3.41Å; G41-K168 WeakPolarHBondContact CA-O 3.04Å; K42-K168 PolarHBondContact N-O 3.18Å; I164-K168 HydrophobicContact CG2-CD 4.07Å; I164-K168 VanDerWaalsContact O-CB 3.27Å; I164-K168 WeakPolarHBondContact O-CB 3.45Å; I164-K168 WeakPolarHBondContact O-CG 3.34Å; I164-K168 PolarHBondContact O-N 3.2Å; K168-H170 VanDerWaalsContact C-N 3.31Å; K168-R171 WeakPolarHBondContact CA-O 3.23Å
169	D	90.1	Very high	96	Very high	97 Å²	97	33.9 Å²	33.9	52%	0.519	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.3	-179.6	-66.2	-10.4	0	0	0	111.4	V167	V167-D169 PolarHBondContact O-N 2.82Å; V167-D169 VanDerWaalsContact O-N 3.17Å
170	H	93.3	Very high	96.1	Very high	88 Å²	88	33.2 Å²	33.2	41%	0.407	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-39	177.7	-62.3	88.6	0	0	0	112.1	K42 E50 V51 T166 V167 K168	K42-H170 VanDerWaalsContact CD-O 3.24Å; K42-H170 WeakPolarHBondContact CD-O 3.18Å; K42-H170 PolarHBondContact NZ-O 3.47Å; K42-H170 VanDerWaalsContact NZ-O 3.17Å; E50-H170 PolarHBondContact O-CD2 2.63Å; V51-H170 HydrophobicContact CB-CB 4.26Å; V51-H170 HydrophobicContact CG1-CB 3.95Å; T166-H170 PolarHBondContact O-ND1 3.1Å; V167-H170 PolarHBondContact O-N 3.17Å; K168-H170 VanDerWaalsContact C-N 3.31Å
171	R	93.9	Very high	96.1	Very high	12 Å²	12	39.1 Å²	39.1	5%	0.045	18%	0.184	C	C	.	.	S	Bend	trans	-142.4	137.2	-177.3	-171.5	173.4	-179.5	82.7	-1.8	112.2	N46 D49 V51 V139 G140 V167 K168 V173	N46-R171 PolarHBondContact O-NH1 2.95Å; D49-R171 HydrophobicContact CB-CB 4Å; D49-R171 HydrophobicContact CB-CG 4.4Å; D49-R171 WeakPolarHBondContact OD2-CG 3.26Å; D49-R171 IonicContact OD2-CZ 2.79Å; D49-R171 IonicContact OD2-NH1 3.59Å; D49-R171 PolarHBondContact OD2-NH1 2.75Å; V51-R171 HydrophobicContact CG1-CB 3.94Å; V139-R171 PolarHBondContact O-NH2 3.4Å; G140-R171 PolarHBondContact O-NE 3.45Å; V167-R171 PolarHBondContact O-N 3.29Å; K168-R171 WeakPolarHBondContact CA-O 3.23Å; R171-V173 HydrophobicContact CB-CG1 4.27Å; R171-V173 HydrophobicContact CG-CG1 4.06Å; R171-V173 PolarHBondContact O-N 2.8Å
172	G	94	Very high	96.2	Very high	30 Å²	30	39.9 Å²	39.9	31%	0.309	19%	0.187	S	C	.	.			trans	-67.5	102.4	170.3	0	0	0	0	0	111.2	K42	K42-G172 WeakPolarHBondContact O-CA 3.3Å; K42-G172 PolarHBondContact O-N 3.47Å
173	V	94.4	Very high	96.3	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.03	17%	0.172	C	C	.	.			trans	-119	145.2	179.6	-64.2	0	0	0	0	110.4	L38 I57 A145 V167 R171	L38-V173 HydrophobicContact CD2-CG2 3.87Å; L38-V173 WeakPolarHBondContact CD2-O 3.22Å; I57-V173 HydrophobicContact CD1-CG1 4.33Å; A145-V173 HydrophobicContact CB-CB 3.67Å; A145-V173 HydrophobicContact CB-CG1 3.64Å; A145-V173 HydrophobicContact CB-CG2 4.35Å; V167-V173 HydrophobicContact CG1-CB 4.49Å; V167-V173 HydrophobicContact CG1-CG1 3.95Å; V167-V173 HydrophobicContact CG1-CG2 3.72Å; R171-V173 HydrophobicContact CB-CG1 4.27Å; R171-V173 HydrophobicContact CG-CG1 4.06Å; R171-V173 PolarHBondContact O-N 2.8Å
174	I	95.6	Very high	96.3	Very high	56 Å²	56	38.7 Å²	38.7	29%	0.287	18%	0.182	S	C	.	.			trans	-150.9	84.4	174	-172	153.7	0	0	0	109.9	Y39 V141	Y39-I174 HydrophobicContact CD1-CD1 4.02Å; Y39-I174 HydrophobicContact CE1-CD1 3.3Å; Y39-I174 HydrophobicContact CE2-CD1 4.04Å; Y39-I174 WeakPolarHBondContact OH-CD1 3.35Å; V141-I174 HydrophobicContact CG1-CB 4.28Å; V141-I174 HydrophobicContact CG1-CG2 3.39Å; V141-I174 CarbonylContact O-C 3.58Å; V141-I174 PolarHBondContact O-N 3.3Å
175	P	97.5	Very high	96.3	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.013	20%	0.201	C	C	.	.			trans	-51.1	142.7	167.7	-27.2	36.5	0	0	0	111.7	A145 T146 L149 F179 L180	A145-P175 HydrophobicContact CB-CG 4.27Å; T146-P175 WeakPolarHBondContact OG1-CB 3.48Å; L149-P175 HydrophobicContact CD1-CG 4.02Å; P175-F179 HydrophobicContact CB-CB 4.1Å; P175-L180 HydrophobicContact CB-CD2 3.87Å; P175-L180 HydrophobicContact CB-CG 4.11Å; P175-L180 HydrophobicContact CG-CD2 4.17Å
176	N	98	Very high	96.4	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.134	18%	0.18	C	C	.	.			trans	-63	161	174.9	75.9	56.9	0	0	0	111.2	D106 P108 S142 G178 F179 L180	D106-N176 PolarHBondContact OD1-ND2 3.01Å; P108-N176 WeakPolarHBondContact CA-OD1 3.41Å; P108-N176 HydrophobicContact CG-CB 4.36Å; S142-N176 PolarHBondContact OG-N 3.36Å; N176-G178 PolarHBondContact O-N 2.96Å; N176-G178 VanDerWaalsContact O-N 3.13Å; N176-G178 WeakPolarHBondContact OD1-CA 2.99Å; N176-G178 PolarHBondContact OD1-N 3.39Å; N176-F179 WeakPolarHBondContact ND2-CD2 3.27Å; N176-F179 WeakPolarHBondContact ND2-CE2 3.39Å; N176-F179 VanDerWaalsContact ND2-CZ 3.27Å; N176-F179 WeakPolarHBondContact ND2-CZ 3.36Å; N176-F179 PolarHBondContact O-N 2.87Å; N176-F179 PolarHBondContact OD1-N 2.79Å; N176-L180 PolarHBondContact O-N 3.44Å
177	R	97.9	Very high	96.4	Very high	100 Å²	100	33 Å²	33	38%	0.377	17%	0.17	S	C	.	.	H	α-helix	trans	-57.4	-31.2	-176.6	-67.3	-178	78.4	96.5	0.6	114.4	V31 E35 R181	V31-R177 HydrophobicContact CG1-CB 4.14Å; V31-R177 HydrophobicContact CG1-CG 4.01Å; E35-R177 WeakPolarHBondContact OE1-CD 3.11Å; E35-R177 WeakPolarHBondContact OE1-CG 3.39Å; E35-R177 IonicContact OE1-CZ 3.82Å; E35-R177 IonicContact OE1-NE 2.65Å; E35-R177 IonicContact OE1-NH1 3.71Å; E35-R177 PolarHBondContact OE1-NH1 3.32Å; E35-R177 IonicContact OE2-CZ 2.64Å; E35-R177 IonicContact OE2-NH1 3.88Å; E35-R177 PolarHBondContact OE2-NH1 3.08Å; R177-R181 WeakPolarHBondContact O-CG 3.39Å; R177-R181 PolarHBondContact O-N 2.62Å; R177-R181 VanDerWaalsContact O-N 3.12Å
178	G	98.3	Very high	96.3	Very high	1 Å²	1	34 Å²	34	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-44.7	176.3	0	0	0	0	0	111.9	P108 N176 R181 Q182	P108-G178 WeakPolarHBondContact O-CA 3.4Å; N176-G178 PolarHBondContact O-N 2.96Å; N176-G178 VanDerWaalsContact O-N 3.13Å; N176-G178 WeakPolarHBondContact OD1-CA 2.99Å; N176-G178 PolarHBondContact OD1-N 3.39Å; G178-R181 WeakPolarHBondContact O-CB 3.44Å; G178-R181 PolarHBondContact O-N 3.19Å; G178-Q182 WeakPolarHBondContact O-CG 3.49Å; G178-Q182 PolarHBondContact O-N 3.13Å
179	F	98.6	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-39.1	176.3	-62.6	-12.9	0	0	0	112.2	H105 F110 M112 S142 R143 T146 P175 N176 R181 Q182 L183	H105-F179 WeakPolarHBondContact O-CZ 3.04Å; F110-F179 HydrophobicContact CB-CE1 4.23Å; F110-F179 HydrophobicContact CD1-CE1 4.11Å; F110-F179 HydrophobicContact CD1-CZ 4.32Å; M112-F179 HydrophobicContact CB-CD1 3.75Å; M112-F179 HydrophobicContact CB-CE1 3.71Å; M112-F179 HydrophobicContact CB-CG 4.45Å; M112-F179 HydrophobicContact CB-CZ 4.35Å; M112-F179 HydrophobicContact CE-CD2 4.47Å; M112-F179 HydrophobicContact CE-CE1 4.1Å; M112-F179 HydrophobicContact CE-CE2 3.75Å; M112-F179 HydrophobicContact CE-CZ 3.53Å; S142-F179 WeakPolarHBondContact OG-CD2 3.13Å; R143-F179 HydrophobicContact CB-CE2 4.46Å; R143-F179 HydrophobicContact CG-CE2 3.64Å; R143-F179 HydrophobicContact CG-CZ 4.1Å; T146-F179 HydrophobicContact CG2-CB 3.8Å; T146-F179 HydrophobicContact CG2-CD2 4.39Å; T146-F179 HydrophobicContact CG2-CG 4.15Å; T146-F179 VanDerWaalsContact OG1-CD2 3.3Å; T146-F179 WeakPolarHBondContact OG1-CD2 3.34Å; P175-F179 HydrophobicContact CB-CB 4.1Å; N176-F179 WeakPolarHBondContact ND2-CD2 3.27Å; N176-F179 WeakPolarHBondContact ND2-CE2 3.39Å; N176-F179 VanDerWaalsContact ND2-CZ 3.27Å; N176-F179 WeakPolarHBondContact ND2-CZ 3.36Å; N176-F179 PolarHBondContact O-N 2.87Å; N176-F179 PolarHBondContact OD1-N 2.79Å; F179-R181 VanDerWaalsContact C-N 3.32Å; F179-R181 PolarHBondContact O-N 2.94Å; F179-Q182 PolarHBondContact O-N 2.79Å; F179-L183 WeakPolarHBondContact O-CB 3.37Å; F179-L183 WeakPolarHBondContact O-CG 3.38Å; F179-L183 PolarHBondContact O-N 2.84Å
180	L	98.3	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-40.2	173	-67.1	178.1	0	0	0	112.1	V31 L34 E35 L38 P175 N176 L183 N184	V31-L180 HydrophobicContact CG1-CB 4.2Å; V31-L180 HydrophobicContact CG1-CD1 4.12Å; L34-L180 HydrophobicContact CB-CD1 4.41Å; L34-L180 HydrophobicContact CD1-CB 4.49Å; E35-L180 HydrophobicContact CG-CD1 3.79Å; L38-L180 HydrophobicContact CD1-CD1 4.25Å; L38-L180 HydrophobicContact CD1-CD2 3.92Å; P175-L180 HydrophobicContact CB-CD2 3.87Å; P175-L180 HydrophobicContact CB-CG 4.11Å; P175-L180 HydrophobicContact CG-CD2 4.17Å; N176-L180 PolarHBondContact O-N 3.44Å; L180-L183 PolarHBondContact O-N 3.02Å; L180-N184 WeakPolarHBondContact O-CB 3.34Å; L180-N184 PolarHBondContact O-N 3.25Å
181	R	98.3	Very high	96.6	Very high	125 Å²	125	31.4 Å²	31.4	47%	0.472	17%	0.166	S	C	.	.	H	α-helix	trans	-62.6	-44.3	173.6	-74.8	-175	-66.1	-96.5	4	112.1	V31 R177 G178 F179 N184 G185	V31-R181 HydrophobicContact CG2-CG 3.53Å; R177-R181 WeakPolarHBondContact O-CG 3.39Å; R177-R181 PolarHBondContact O-N 2.62Å; R177-R181 VanDerWaalsContact O-N 3.12Å; G178-R181 WeakPolarHBondContact O-CB 3.44Å; G178-R181 PolarHBondContact O-N 3.19Å; F179-R181 VanDerWaalsContact C-N 3.32Å; F179-R181 PolarHBondContact O-N 2.94Å; R181-N184 PolarHBondContact O-N 2.76Å; R181-G185 PolarHBondContact O-N 3.06Å
182	Q	98.6	Very high	96.5	Very high	41 Å²	41	37.1 Å²	37.1	19%	0.192	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-42	178.8	-69.6	167.4	26.5	0	0	111.7	F110 M112 S113 F116 G178 F179 N184 G185 L186	F110-Q182 PolarHBondContact O-NE2 2.94Å; M112-Q182 VanDerWaalsContact CB-OE1 3.31Å; S113-Q182 VanDerWaalsContact N-OE1 3.13Å; F116-Q182 HydrophobicContact CE2-CB 4.22Å; F116-Q182 HydrophobicContact CZ-CB 3.93Å; G178-Q182 WeakPolarHBondContact O-CG 3.49Å; G178-Q182 PolarHBondContact O-N 3.13Å; F179-Q182 PolarHBondContact O-N 2.79Å; Q182-N184 VanDerWaalsContact C-N 3.34Å; Q182-N184 PolarHBondContact O-N 3.08Å; Q182-G185 PolarHBondContact O-N 2.65Å; Q182-L186 PolarHBondContact O-N 3.24Å
183	L	98.4	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-39	172.9	-75	171.2	0	0	0	112.1	F116 T146 L149 A150 M153 L160 F179 L180 G185 L186 D187	F116-L183 HydrophobicContact CE1-CD2 4.45Å; F116-L183 HydrophobicContact CE2-CD2 4.33Å; F116-L183 HydrophobicContact CZ-CD2 3.99Å; F116-L183 HydrophobicContact CZ-CG 4.23Å; T146-L183 HydrophobicContact CG2-CD1 4Å; T146-L183 HydrophobicContact CG2-CD2 4.31Å; T146-L183 HydrophobicContact CG2-CG 4.06Å; L149-L183 HydrophobicContact CB-CD1 4.1Å; L149-L183 HydrophobicContact CB-CD2 4.24Å; L149-L183 HydrophobicContact CD1-CD1 3.84Å; A150-L183 HydrophobicContact CB-CD2 3.94Å; M153-L183 HydrophobicContact SD-CD2 4.1Å; L160-L183 HydrophobicContact CD1-CB 3.86Å; L160-L183 HydrophobicContact CD1-CD1 4.07Å; L160-L183 HydrophobicContact CD1-CG 4.41Å; L160-L183 HydrophobicContact CD2-CB 3.95Å; F179-L183 WeakPolarHBondContact O-CB 3.37Å; F179-L183 WeakPolarHBondContact O-CG 3.38Å; F179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 3.02Å; L183-G185 VanDerWaalsContact C-N 3.33Å; L183-L186 WeakPolarHBondContact O-CB 3.26Å; L183-L186 PolarHBondContact O-N 2.88Å; L183-D187 PolarHBondContact O-N 2.75Å
184	N	96.9	Very high	96	Very high	40 Å²	40	41 Å²	41	21%	0.214	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-38.5	176.2	-158.8	40.2	0	0	0	111.6	L29 L160 L180 R181 Q182 D187 G188	L29-N184 PolarHBondContact O-ND2 3.13Å; L160-N184 HydrophobicContact CD2-CB 4.3Å; L180-N184 WeakPolarHBondContact O-CB 3.34Å; L180-N184 PolarHBondContact O-N 3.25Å; R181-N184 PolarHBondContact O-N 2.76Å; Q182-N184 VanDerWaalsContact C-N 3.34Å; Q182-N184 PolarHBondContact O-N 3.08Å; N184-D187 PolarHBondContact O-N 2.87Å; N184-G188 PolarHBondContact O-N 3.42Å; N184-G188 VanDerWaalsContact O-N 3.11Å
185	G	97.4	Very high	95.5	Very high	39 Å²	39	45.4 Å²	45.4	40%	0.402	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-43.8	171.1	0	0	0	0	0	112.4	R181 Q182 L183 D187 G188 I189	R181-G185 PolarHBondContact O-N 3.06Å; Q182-G185 PolarHBondContact O-N 2.65Å; L183-G185 VanDerWaalsContact C-N 3.33Å; G185-D187 PolarHBondContact O-N 3.05Å; G185-G188 PolarHBondContact O-N 3.09Å; G185-I189 WeakPolarHBondContact O-CG1 3.4Å; G185-I189 PolarHBondContact O-N 3.22Å
186	L	97.8	Very high	94.6	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-42.4	173.4	178.7	68.2	0	0	0	112	F116 Y117 A150 M153 I154 Q182 L183 G188 I189 L190	F116-L186 HydrophobicContact CD2-CB 4.28Å; F116-L186 HydrophobicContact CD2-CD1 4.49Å; F116-L186 HydrophobicContact CD2-CD2 3.76Å; F116-L186 HydrophobicContact CD2-CG 4.39Å; F116-L186 HydrophobicContact CE2-CB 4.18Å; F116-L186 HydrophobicContact CE2-CD2 4.18Å; F116-L186 HydrophobicContact CG-CD2 4.44Å; Y117-L186 HydrophobicContact CE2-CD1 4.26Å; A150-L186 HydrophobicContact CB-CD2 3.99Å; M153-L186 HydrophobicContact CB-CD2 4.47Å; M153-L186 HydrophobicContact CE-CB 4.12Å; M153-L186 HydrophobicContact CE-CD2 3.88Å; M153-L186 HydrophobicContact CE-CG 3.88Å; M153-L186 HydrophobicContact SD-CD2 4.24Å; I154-L186 HydrophobicContact CD1-CD1 4.45Å; I154-L186 HydrophobicContact CD1-CD2 4.11Å; I154-L186 HydrophobicContact CG1-CD1 4.34Å; I154-L186 HydrophobicContact CG1-CD2 4.12Å; Q182-L186 PolarHBondContact O-N 3.24Å; L183-L186 WeakPolarHBondContact O-CB 3.26Å; L183-L186 PolarHBondContact O-N 2.88Å; L186-G188 VanDerWaalsContact C-N 3.32Å; L186-G188 PolarHBondContact O-N 3.02Å; L186-I189 PolarHBondContact O-N 3.31Å; L186-L190 HydrophobicContact CD1-CD1 3.93Å; L186-L190 HydrophobicContact CD1-CD2 4.49Å; L186-L190 HydrophobicContact CD1-CG 3.97Å; L186-L190 HydrophobicContact CD2-CD1 4.28Å; L186-L190 HydrophobicContact CG-CD1 3.77Å; L186-L190 HydrophobicContact CG-CG 4.19Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.34Å
187	D	96.9	Very high	93.2	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-42.7	178.7	-162.8	54.2	0	0	0	111.4	M153 T159 L160 L183 N184 G185 L190 R191	M153-D187 HydrophobicContact CE-CB 3.65Å; T159-D187 VanDerWaalsContact CA-OD1 3.31Å; T159-D187 WeakPolarHBondContact CA-OD1 3.35Å; L160-D187 HydrophobicContact CB-CB 3.97Å; L160-D187 PolarHBondContact N-OD1 2.98Å; L183-D187 PolarHBondContact O-N 2.75Å; N184-D187 PolarHBondContact O-N 2.87Å; G185-D187 PolarHBondContact O-N 3.05Å; D187-L190 PolarHBondContact O-N 2.7Å; D187-R191 WeakPolarHBondContact O-CB 3.26Å; D187-R191 WeakPolarHBondContact O-CD 3.2Å; D187-R191 WeakPolarHBondContact O-CG 3.41Å; D187-R191 PolarHBondContact O-N 3.25Å; D187-R191 IonicContact OD1-NE 2.77Å; D187-R191 IonicContact OD2-CZ 3.72Å; D187-R191 IonicContact OD2-NE 3.37Å; D187-R191 PolarHBondContact OD2-NE 2.77Å; D187-R191 IonicContact OD2-NH2 2.92Å; D187-R191 PolarHBondContact OD2-NH2 3.34Å; D187-R191 VanDerWaalsContact OD2-NH2 3.12Å
188	G	95	Very high	91	Very high	22 Å²	22	53.9 Å²	53.9	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-54.1	174.5	0	0	0	0	0	112.3	N184 G185 L186 L190 R191 E192	N184-G188 PolarHBondContact O-N 3.42Å; N184-G188 VanDerWaalsContact O-N 3.11Å; G185-G188 PolarHBondContact O-N 3.09Å; L186-G188 VanDerWaalsContact C-N 3.32Å; L186-G188 PolarHBondContact O-N 3.02Å; G188-L190 PolarHBondContact O-N 3.25Å; G188-R191 PolarHBondContact O-N 3.23Å; G188-E192 WeakPolarHBondContact O-CG 3.36Å; G188-E192 PolarHBondContact O-N 3.39Å; G188-E192 VanDerWaalsContact O-N 3.07Å
189	I	95.4	Very high	88.8	Confident	97 Å²	97	62 Å²	62	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-47.4	179.5	-65.5	165.6	0	0	0	111.1	G185 L186 R191 E192 S193	G185-I189 WeakPolarHBondContact O-CG1 3.4Å; G185-I189 PolarHBondContact O-N 3.22Å; L186-I189 PolarHBondContact O-N 3.31Å; I189-R191 PolarHBondContact O-N 3.17Å; I189-E192 PolarHBondContact O-N 2.86Å; I189-S193 WeakPolarHBondContact O-CB 3.46Å; I189-S193 PolarHBondContact O-N 2.85Å; I189-S193 PolarHBondContact O-OG 2.81Å
190	L	95.6	Very high	85.9	Confident	17 Å²	17	71 Å²	71	9%	0.089	39%	0.393	C	S	.	.	H	α-helix	trans	-67.1	-37.8	-177.8	-69.6	176.7	0	0	0	112	M153 I154 L186 D187 G188 S193 R194	M153-L190 HydrophobicContact CB-CD1 3.78Å; M153-L190 HydrophobicContact CE-CD1 4.33Å; I154-L190 HydrophobicContact CG1-CD1 4.13Å; L186-L190 HydrophobicContact CD1-CD1 3.93Å; L186-L190 HydrophobicContact CD1-CD2 4.49Å; L186-L190 HydrophobicContact CD1-CG 3.97Å; L186-L190 HydrophobicContact CD2-CD1 4.28Å; L186-L190 HydrophobicContact CG-CD1 3.77Å; L186-L190 HydrophobicContact CG-CG 4.19Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.34Å; D187-L190 PolarHBondContact O-N 2.7Å; G188-L190 PolarHBondContact O-N 3.25Å; L190-S193 PolarHBondContact O-N 3.01Å; L190-R194 WeakPolarHBondContact O-CB 3.44Å; L190-R194 VanDerWaalsContact O-CD 3.3Å; L190-R194 WeakPolarHBondContact O-CD 3.35Å; L190-R194 WeakPolarHBondContact O-CG 3.49Å; L190-R194 PolarHBondContact O-N 3.47Å
191	R	91.9	Very high	85.3	Confident	35 Å²	35	74.5 Å²	74.5	13%	0.132	41%	0.413	C	S	.	.	H	α-helix	trans	-63.2	-43.8	175.6	-76.6	170.8	179.4	-121.5	17.7	111.9	R24 S26 D187 G188 I189 R194 K195	R24-R191 PolarHBondContact O-NH1 3.32Å; S26-R191 PolarHBondContact O-NH1 2.84Å; S26-R191 PolarHBondContact O-NH2 3.42Å; D187-R191 WeakPolarHBondContact O-CB 3.26Å; D187-R191 WeakPolarHBondContact O-CD 3.2Å; D187-R191 WeakPolarHBondContact O-CG 3.41Å; D187-R191 PolarHBondContact O-N 3.25Å; D187-R191 IonicContact OD1-NE 2.77Å; D187-R191 IonicContact OD2-CZ 3.72Å; D187-R191 IonicContact OD2-NE 3.37Å; D187-R191 PolarHBondContact OD2-NE 2.77Å; D187-R191 IonicContact OD2-NH2 2.92Å; D187-R191 PolarHBondContact OD2-NH2 3.34Å; D187-R191 VanDerWaalsContact OD2-NH2 3.12Å; G188-R191 PolarHBondContact O-N 3.23Å; I189-R191 PolarHBondContact O-N 3.17Å; R191-R194 PolarHBondContact O-N 2.99Å; R191-K195 WeakPolarHBondContact O-CG 3.29Å; R191-K195 PolarHBondContact O-N 3.21Å; R191-K195 VanDerWaalsContact O-N 3.15Å
192	E	90.9	Very high	84.6	Confident	132 Å²	132	71.8 Å²	71.8	62%	0.617	41%	0.409	S	S	*	.	H	α-helix	trans	-61.6	-47.2	175.3	-70.9	175	-177.8	0	0	111	G188 I189 R194 K195 T196	G188-E192 WeakPolarHBondContact O-CG 3.36Å; G188-E192 PolarHBondContact O-N 3.39Å; G188-E192 VanDerWaalsContact O-N 3.07Å; I189-E192 PolarHBondContact O-N 2.86Å; E192-R194 VanDerWaalsContact C-N 3.25Å; E192-R194 PolarHBondContact O-N 2.91Å; E192-K195 PolarHBondContact O-N 3.06Å; E192-T196 PolarHBondContact O-N 2.8Å; E192-T196 VanDerWaalsContact O-N 3.14Å; E192-T196 PolarHBondContact O-OG1 2.88Å
193	S	90.1	Very high	83.8	Confident	51 Å²	51	73.6 Å²	73.6	36%	0.357	42%	0.422	S	S	.	.	H	α-helix	trans	-57.9	-36.4	177.9	-51.3	0	0	0	0	113	I189 L190 T196 S197	I189-S193 WeakPolarHBondContact O-CB 3.46Å; I189-S193 PolarHBondContact O-N 2.85Å; I189-S193 PolarHBondContact O-OG 2.81Å; L190-S193 PolarHBondContact O-N 3.01Å; S193-T196 PolarHBondContact O-OG1 2.5Å; S193-T196 VanDerWaalsContact O-OG1 3.06Å; S193-S197 PolarHBondContact O-N 3.03Å; S193-S197 PolarHBondContact O-OG 3.19Å
194	R	88.3	Confident	83	Confident	67 Å²	67	77.9 Å²	77.9	25%	0.253	45%	0.446	S	S	.	.	H	α-helix	trans	-75.1	-27.1	178	-69.2	161.8	-168.6	-178.5	-0.2	112.8	M153 N157 L158 L190 R191 E192	M153-R194 PolarHBondContact O-NH2 2.99Å; N157-R194 PolarHBondContact O-NH1 2.95Å; N157-R194 WeakPolarHBondContact OD1-CD 3.29Å; N157-R194 PolarHBondContact OD1-NE 3.43Å; L158-R194 PolarHBondContact O-NH1 3.07Å; L158-R194 PolarHBondContact O-NH2 2.59Å; L190-R194 WeakPolarHBondContact O-CB 3.44Å; L190-R194 VanDerWaalsContact O-CD 3.3Å; L190-R194 WeakPolarHBondContact O-CD 3.35Å; L190-R194 WeakPolarHBondContact O-CG 3.49Å; L190-R194 PolarHBondContact O-N 3.47Å; R191-R194 PolarHBondContact O-N 2.99Å; E192-R194 VanDerWaalsContact C-N 3.25Å; E192-R194 PolarHBondContact O-N 2.91Å
195	K	84.6	Confident	82.1	Confident	148 Å²	148	80.3 Å²	80.3	64%	0.643	46%	0.461	S	S	*	.	H	α-helix	trans	-74.5	-34	174.7	-72.6	-179	179	-164.7	0	111.4	D25 R191 E192	D25-K195 IonicContact OD1-NZ 3.86Å; D25-K195 PolarHBondContact OD1-NZ 3.18Å; R191-K195 WeakPolarHBondContact O-CG 3.29Å; R191-K195 PolarHBondContact O-N 3.21Å; R191-K195 VanDerWaalsContact O-N 3.15Å; E192-K195 PolarHBondContact O-N 3.06Å
196	T	79.2	Confident	81.1	Confident	110 Å²	110	83 Å²	83	68%	0.675	47%	0.465	S	S	*	.	H	α-helix	trans	-84.5	-13.8	-179.2	55	0	0	0	0	114.3	E192 S193 P198	E192-T196 PolarHBondContact O-N 2.8Å; E192-T196 VanDerWaalsContact O-N 3.14Å; E192-T196 PolarHBondContact O-OG1 2.88Å; S193-T196 PolarHBondContact O-OG1 2.5Å; S193-T196 VanDerWaalsContact O-OG1 3.06Å; T196-P198 WeakPolarHBondContact O-CD 3.45Å
197	S	68.9	Low	79.9	Confident	79 Å²	79	88.2 Å²	88.2	55%	0.552	49%	0.494	S	S	*	.	S	Bend	trans	-97.5	92	175.4	-54.5	0	0	0	0	110	S193 Q199	S193-S197 PolarHBondContact O-N 3.03Å; S193-S197 PolarHBondContact O-OG 3.19Å; S197-Q199 PolarHBondContact O-N 3.21Å
198	P	52.6	Low	78.5	Confident	116 Å²	116	94.8 Å²	94.8	75%	0.753	53%	0.531	S	S	*	.			trans	-59.6	131.3	173.1	24.7	-32.5	0	0	0	109	T196 S200	T196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-S200 PolarHBondContact O-N 3.08Å
199	Q	50.6	Low	77.2	Confident	171 Å²	171	100.9 Å²	100.9	80%	0.799	56%	0.557	S	S	*	*			trans	-57.7	111.7	175.3	-66.9	-177.9	6.1	0	0	108.5	S197	S197-Q199 PolarHBondContact O-N 3.21Å
200	S	38.2	Very low	75.5	Confident	188 Å²	188	101.3 Å²	101.3	100%	1.315	56%	0.562	S	S	*	*			trans	-72.8	0	167.9	61.2	0	0	0	0	110.7	P198	P198-S200 PolarHBondContact O-N 3.08Å

Retrieved 200 of 200 residues in 394.5 ms (Link to these results)

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