A0A077Z934_TRITR Loading...

Dual specificity protein phosphatase 19

AlphaFold DB , UniProt , Accession A0A077Z934, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	39.9	Very low	226 Å²	226	140.8 Å²	140.8	100%	1.113	82%	0.824	S	S	*	*				0	106.3	0	-72.3	67.4	176.2	0	0	107.3
2	S	37.4	Very low	39.8	Very low	97 Å²	97	146.5 Å²	146.5	68%	0.678	82%	0.821	S	S	*	*				73.3	109.1	55.9	76.2	0	0	0	0	111
3	I	42.6	Very low	39.4	Very low	152 Å²	152	154.1 Å²	154.1	78%	0.779	83%	0.829	S	S	*	*				171.5	142.3	83.9	-93.5	145.8	0	0	0	106.5
4	V	46.1	Very low	39.2	Very low	127 Å²	127	149 Å²	149	77%	0.77	83%	0.831	S	S	*	*			cis	-157	159.5	-14.8	-86.1	0	0	0	0	108.9
5	D	37.5	Very low	39.1	Very low	166 Å²	166	146.3 Å²	146.3	89%	0.888	83%	0.826	S	S	*	*			trans	-106	125.6	155.2	-89.3	-47.8	0	0	0	109.6
6	S	45.7	Very low	39.2	Very low	113 Å²	113	149.4 Å²	149.4	79%	0.79	83%	0.831	S	S	*	*			trans	-178.7	134.3	145.4	-139.3	0	0	0	0	112.8
7	V	40.3	Very low	38.9	Very low	140 Å²	140	150.8 Å²	150.8	85%	0.848	84%	0.837	S	S	*	*				172.3	121	106.7	160.4	0	0	0	0	107.6
8	A	39.4	Very low	39	Very low	90 Å²	90	148.4 Å²	148.4	74%	0.744	83%	0.833	S	S	*	*			trans	-138.5	152	167.7	0	0	0	0	0	110.3
9	Q	35.4	Very low	38.6	Very low	186 Å²	186	154.4 Å²	154.4	87%	0.869	84%	0.841	S	S	*	*			trans	81.2	104.9	174.4	-48.9	-164.8	19.3	0	0	118
10	G	36.9	Very low	38.4	Very low	81 Å²	81	151.6 Å²	151.6	84%	0.835	83%	0.833	S	S	*	*			trans	-136.4	142	155.4	0	0	0	0	0	108.6
11	K	39.7	Very low	38.3	Very low	171 Å²	171	148.2 Å²	148.2	74%	0.743	83%	0.825	S	S	*	*			trans	-119.2	146.4	-157.5	-116.6	171.6	-175.3	160.2	0	113.8
12	R	37.9	Very low	38	Very low	209 Å²	209	143.8 Å²	143.8	79%	0.789	81%	0.81	S	S	*	*			trans	84	121.4	146.6	-68.8	169.9	176.6	-177.2	-0.8	121.6
13	R	34.4	Very low	37.9	Very low	245 Å²	245	147.3 Å²	147.3	93%	0.925	81%	0.814	S	S	*	*			trans	64.4	104.1	131.8	-69.5	-174.8	170.9	-176.6	-4.3	119.6
14	G	37	Very low	37.5	Very low	83 Å²	83	145 Å²	145	86%	0.856	81%	0.809	S	S	*	*			trans	-148.2	135.4	145.8	0	0	0	0	0	108.1
15	S	37.5	Very low	37.1	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	81%	0.812	S	S	*	*			trans	-106.5	131.2	-178.7	50.2	0	0	0	0	110.5
16	E	40.8	Very low	37.1	Very low	197 Å²	197	141.6 Å²	141.6	92%	0.921	80%	0.797	S	S	*	*			trans	-176.8	157.8	140.2	-105.7	161.2	-158.3	0	0	113.2
17	N	33.9	Very low	37.2	Very low	172 Å²	172	142.5 Å²	142.5	92%	0.92	79%	0.793	S	S	*	*			trans	-77.3	122.7	-174.1	-84.5	-46.6	0	0	0	112.7
18	S	40.5	Very low	37.5	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	78%	0.782	S	S	*	*			trans	-149.7	139.1	144.5	60.8	0	0	0	0	110.7	S20	S18-S20 PolarHBondContact O-N 3.03Å
19	R	31.6	Very low	37.9	Very low	262 Å²	262	144.4 Å²	144.4	99%	0.989	79%	0.785	S	S	*	*			trans	-74.1	94	-175.4	-70.1	173.3	172.6	161.9	-4.5	110.6
20	S	35.1	Very low	38.7	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	76%	0.758	S	S	*	*			trans	-85.8	128.4	163.4	54.3	0	0	0	0	110.1	S18 V22	S18-S20 PolarHBondContact O-N 3.03Å; S20-V22 PolarHBondContact O-N 3.36Å; S20-V22 VanDerWaalsContact O-N 3.13Å
21	A	35.6	Very low	39.3	Very low	80 Å²	80	139.4 Å²	139.4	66%	0.661	74%	0.743	S	S	*	*			trans	-66.9	110.9	173.5	0	0	0	0	0	109.3	F23	A21-F23 HydrophobicContact CB-CE2 4.29Å; A21-F23 PolarHBondContact O-N 3.44Å
22	V	33.5	Very low	39.8	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	73%	0.729	S	S	*	*			trans	-75.2	93.7	174.2	-178.7	0	0	0	0	108.1	S20	S20-V22 PolarHBondContact O-N 3.36Å; S20-V22 VanDerWaalsContact O-N 3.13Å
23	F	34.9	Very low	40.6	Very low	172 Å²	172	127.9 Å²	127.9	75%	0.754	71%	0.713	S	S	*	*			trans	-65.1	132.5	164.8	-72.3	-83.7	0	0	0	108.8	A21 V25	A21-F23 HydrophobicContact CB-CE2 4.29Å; A21-F23 PolarHBondContact O-N 3.44Å; F23-V25 PolarHBondContact O-N 3.34Å
24	P	34.9	Very low	41.9	Very low	104 Å²	104	121.6 Å²	121.6	68%	0.675	70%	0.697	S	S	*	*			trans	-67.4	122.7	-175.7	27.1	-33.9	0	0	0	110.5	S26	P24-S26 PolarHBondContact O-N 3.06Å
25	V	37.3	Very low	43	Very low	137 Å²	137	119.6 Å²	119.6	83%	0.83	67%	0.666	S	S	*	*			trans	-78.9	70.3	174.7	-173.8	0	0	0	0	108.6	F23	F23-V25 PolarHBondContact O-N 3.34Å
26	S	36.8	Very low	43.7	Very low	83 Å²	83	119.1 Å²	119.1	58%	0.58	66%	0.656	S	S	*	*			trans	-149.5	64.1	-174.8	64.9	0	0	0	0	112.7	P24	P24-S26 PolarHBondContact O-N 3.06Å
27	D	47.1	Very low	44.5	Very low	132 Å²	132	112.9 Å²	112.9	71%	0.706	63%	0.634	S	S	*	*			trans	-166.6	24.2	147.1	-108.3	-16.2	0	0	0	115.5	L29 G30 Y31	D27-L29 PolarHBondContact O-N 3.14Å; D27-L29 VanDerWaalsContact O-N 3.14Å; D27-G30 PolarHBondContact O-N 2.61Å; D27-G30 VanDerWaalsContact O-N 3.14Å; D27-Y31 PolarHBondContact O-N 3.48Å
28	N	48.6	Very low	45.7	Very low	116 Å²	116	106.2 Å²	106.2	62%	0.62	60%	0.596	S	S	*	*	H	α-helix	trans	-58.3	-30.4	178.6	-81.7	-10.2	0	0	0	113.3	V32	N28-V32 VanDerWaalsContact O-CB 3.29Å; N28-V32 WeakPolarHBondContact O-CB 3.5Å; N28-V32 WeakPolarHBondContact O-CG2 3.45Å; N28-V32 PolarHBondContact O-N 3.26Å
29	L	47.3	Very low	46.4	Very low	155 Å²	155	105.5 Å²	105.5	81%	0.812	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-43.4	176.7	-77.3	162.1	0	0	0	112.3	D27 S33	D27-L29 PolarHBondContact O-N 3.14Å; D27-L29 VanDerWaalsContact O-N 3.14Å; L29-S33 WeakPolarHBondContact O-CB 3.39Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.02Å; L29-S33 VanDerWaalsContact O-OG 3.11Å
30	G	51	Low	47.4	Very low	28 Å²	28	95.9 Å²	95.9	29%	0.289	56%	0.556	S	S	.	*	H	α-helix	trans	-69.1	-35.1	175.6	0	0	0	0	0	112.9	D27 S33 N34	D27-G30 PolarHBondContact O-N 2.61Å; D27-G30 VanDerWaalsContact O-N 3.14Å; G30-S33 PolarHBondContact O-OG 3.19Å; G30-S33 VanDerWaalsContact O-OG 3.1Å; G30-N34 WeakPolarHBondContact O-CB 3.32Å; G30-N34 PolarHBondContact O-N 3.38Å; G30-N34 VanDerWaalsContact O-N 3.14Å; G30-N34 PolarHBondContact O-ND2 2.96Å
31	Y	49.2	Very low	48.3	Very low	133 Å²	133	94 Å²	94	52%	0.522	55%	0.546	S	S	.	.	H	α-helix	trans	-68.2	-45.9	174.4	-174.8	-98.9	0	0	0	112.2	D27 N34 M35	D27-Y31 PolarHBondContact O-N 3.48Å; Y31-N34 PolarHBondContact O-N 2.87Å; Y31-M35 HydrophobicContact CD1-CG 4.2Å; Y31-M35 HydrophobicContact CE1-CG 3.82Å; Y31-M35 HydrophobicContact CE2-CG 4.49Å; Y31-M35 WeakPolarHBondContact O-CB 3.42Å; Y31-M35 VanDerWaalsContact O-CG 3.29Å; Y31-M35 WeakPolarHBondContact O-CG 3.08Å; Y31-M35 PolarHBondContact O-N 2.91Å
32	V	52.1	Low	49.2	Very low	74 Å²	74	94 Å²	94	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-69.5	-38	179.3	171.3	0	0	0	0	111.7	N28 M35 N36	N28-V32 VanDerWaalsContact O-CB 3.29Å; N28-V32 WeakPolarHBondContact O-CB 3.5Å; N28-V32 WeakPolarHBondContact O-CG2 3.45Å; N28-V32 PolarHBondContact O-N 3.26Å; V32-M35 PolarHBondContact O-N 3.49Å; V32-N36 WeakPolarHBondContact O-CB 3.4Å; V32-N36 VanDerWaalsContact O-CG 3.24Å; V32-N36 PolarHBondContact O-N 2.86Å
33	S	54	Low	50.2	Low	65 Å²	65	93.2 Å²	93.2	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-42.3	175.5	66.3	0	0	0	0	112	L29 G30 N36 S37	L29-S33 WeakPolarHBondContact O-CB 3.39Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.02Å; L29-S33 VanDerWaalsContact O-OG 3.11Å; G30-S33 PolarHBondContact O-OG 3.19Å; G30-S33 VanDerWaalsContact O-OG 3.1Å; S33-N36 PolarHBondContact O-N 3.08Å; S33-S37 PolarHBondContact O-N 3.24Å; S33-S37 PolarHBondContact O-OG 3.35Å
34	N	60.5	Low	51	Low	112 Å²	112	91.6 Å²	91.6	60%	0.599	53%	0.525	S	S	*	.	H	α-helix	trans	-66.1	-35.7	173.2	-85	-24.4	0	0	0	113.1	G30 Y31 S37 F38	G30-N34 WeakPolarHBondContact O-CB 3.32Å; G30-N34 PolarHBondContact O-N 3.38Å; G30-N34 VanDerWaalsContact O-N 3.14Å; G30-N34 PolarHBondContact O-ND2 2.96Å; Y31-N34 PolarHBondContact O-N 2.87Å; N34-S37 WeakPolarHBondContact CA-OG 3.46Å; N34-S37 PolarHBondContact O-OG 2.68Å; N34-S37 VanDerWaalsContact O-OG 3.08Å; N34-F38 WeakPolarHBondContact O-CB 3.13Å; N34-F38 PolarHBondContact O-N 3.2Å
35	M	60.3	Low	52.3	Low	41 Å²	41	93.4 Å²	93.4	20%	0.202	53%	0.529	C	S	.	.	H	α-helix	trans	-68.2	-39.9	173.5	-75.5	-74.4	-75.1	0	0	111.4	Y31 V32 F38 F39 R172	Y31-M35 HydrophobicContact CD1-CG 4.2Å; Y31-M35 HydrophobicContact CE1-CG 3.82Å; Y31-M35 HydrophobicContact CE2-CG 4.49Å; Y31-M35 WeakPolarHBondContact O-CB 3.42Å; Y31-M35 VanDerWaalsContact O-CG 3.29Å; Y31-M35 WeakPolarHBondContact O-CG 3.08Å; Y31-M35 PolarHBondContact O-N 2.91Å; V32-M35 PolarHBondContact O-N 3.49Å; M35-F38 PolarHBondContact O-N 2.71Å; M35-F39 HydrophobicContact CB-CE2 4.45Å; M35-F39 HydrophobicContact CE-CE2 3.73Å; M35-F39 HydrophobicContact CE-CZ 3.94Å; M35-F39 WeakPolarHBondContact O-CD2 3.36Å; M35-F39 WeakPolarHBondContact O-CG 3.13Å; M35-F39 PolarHBondContact O-N 3.13Å; M35-R172 PolarHBondContact SD-NH1 2.94Å; M35-R172 VanDerWaalsContact SD-NH1 3.4Å
36	N	53.6	Low	53.9	Low	99 Å²	99	92.1 Å²	92.1	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-68.3	-39.7	177	-72.8	-12.3	0	0	0	112.2	V32 S33 F39 A40	V32-N36 WeakPolarHBondContact O-CB 3.4Å; V32-N36 VanDerWaalsContact O-CG 3.24Å; V32-N36 PolarHBondContact O-N 2.86Å; S33-N36 PolarHBondContact O-N 3.08Å; N36-F39 PolarHBondContact O-N 3.04Å; N36-A40 VanDerWaalsContact O-CB 3.26Å; N36-A40 WeakPolarHBondContact O-CB 3.18Å; N36-A40 PolarHBondContact O-N 2.64Å
37	S	57.6	Low	56	Low	66 Å²	66	90.1 Å²	90.1	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-68.6	-37.7	173.7	66.1	0	0	0	0	111.9	S33 N34 A40 A41	S33-S37 PolarHBondContact O-N 3.24Å; S33-S37 PolarHBondContact O-OG 3.35Å; N34-S37 WeakPolarHBondContact CA-OG 3.46Å; N34-S37 PolarHBondContact O-OG 2.68Å; N34-S37 VanDerWaalsContact O-OG 3.08Å; S37-A40 PolarHBondContact O-N 3.02Å; S37-A41 VanDerWaalsContact O-CB 3.31Å; S37-A41 WeakPolarHBondContact O-CB 3.37Å; S37-A41 PolarHBondContact O-N 3.07Å
38	F	59	Low	57.6	Low	31 Å²	31	87 Å²	87	14%	0.136	48%	0.483	C	S	.	.	H	α-helix	trans	-60.7	-46.6	171.9	174.6	-94.8	0	0	0	112.1	N34 M35 A41 L42 V138 V170	N34-F38 WeakPolarHBondContact O-CB 3.13Å; N34-F38 PolarHBondContact O-N 3.2Å; M35-F38 PolarHBondContact O-N 2.71Å; F38-A41 PolarHBondContact O-N 3.12Å; F38-L42 HydrophobicContact CD1-CD1 3.82Å; F38-L42 HydrophobicContact CE1-CD1 3.38Å; F38-L42 HydrophobicContact CE2-CD1 4.32Å; F38-L42 HydrophobicContact CG-CD1 4.45Å; F38-L42 HydrophobicContact CZ-CD1 3.66Å; F38-L42 WeakPolarHBondContact O-CG 3.39Å; F38-L42 PolarHBondContact O-N 3.38Å; F38-V138 HydrophobicContact CE2-CG1 4.3Å; F38-V138 HydrophobicContact CE2-CG2 3.88Å; F38-V138 HydrophobicContact CZ-CG1 4.35Å; F38-V138 HydrophobicContact CZ-CG2 4.19Å; F38-V170 HydrophobicContact CD2-CB 3.99Å; F38-V170 HydrophobicContact CD2-CG1 3.94Å; F38-V170 HydrophobicContact CE2-CB 4.01Å; F38-V170 HydrophobicContact CE2-CG1 4.4Å
39	F	54.9	Low	59.5	Low	95 Å²	95	88.5 Å²	88.5	42%	0.417	49%	0.486	S	S	.	.	H	α-helix	trans	-68.3	-36.9	175	-72.3	-55.9	0	0	0	112.6	M35 N36 L42 N43	M35-F39 HydrophobicContact CB-CE2 4.45Å; M35-F39 HydrophobicContact CE-CE2 3.73Å; M35-F39 HydrophobicContact CE-CZ 3.94Å; M35-F39 WeakPolarHBondContact O-CD2 3.36Å; M35-F39 WeakPolarHBondContact O-CG 3.13Å; M35-F39 PolarHBondContact O-N 3.13Å; N36-F39 PolarHBondContact O-N 3.04Å; F39-L42 PolarHBondContact O-N 2.78Å; F39-N43 WeakPolarHBondContact O-CB 3.49Å; F39-N43 PolarHBondContact O-N 2.87Å; F39-N43 PolarHBondContact O-ND2 2.87Å
40	A	52.4	Low	61.7	Low	60 Å²	60	81.6 Å²	81.6	50%	0.496	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-40.9	174.7	0	0	0	0	0	112.1	N36 S37 L42 N43	N36-A40 VanDerWaalsContact O-CB 3.26Å; N36-A40 WeakPolarHBondContact O-CB 3.18Å; N36-A40 PolarHBondContact O-N 2.64Å; S37-A40 PolarHBondContact O-N 3.02Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-N43 PolarHBondContact O-N 3.29Å
41	A	54.8	Low	63.9	Low	57 Å²	57	81 Å²	81	47%	0.471	44%	0.444	S	S	.	.	H	α-helix	trans	-65.9	-33.7	174.7	0	0	0	0	0	112.7	S37 F38	S37-A41 VanDerWaalsContact O-CB 3.31Å; S37-A41 WeakPolarHBondContact O-CB 3.37Å; S37-A41 PolarHBondContact O-N 3.07Å; F38-A41 PolarHBondContact O-N 3.12Å
42	L	53.3	Low	66.2	Low	80 Å²	80	78.4 Å²	78.4	42%	0.419	44%	0.437	S	S	.	.	H	α-helix	trans	-75.8	-30.8	175.4	-76.5	170.6	0	0	0	114	F38 F39 A40	F38-L42 HydrophobicContact CD1-CD1 3.82Å; F38-L42 HydrophobicContact CE1-CD1 3.38Å; F38-L42 HydrophobicContact CE2-CD1 4.32Å; F38-L42 HydrophobicContact CG-CD1 4.45Å; F38-L42 HydrophobicContact CZ-CD1 3.66Å; F38-L42 WeakPolarHBondContact O-CG 3.39Å; F38-L42 PolarHBondContact O-N 3.38Å; F39-L42 PolarHBondContact O-N 2.78Å; A40-L42 VanDerWaalsContact C-N 3.34Å
43	N	54.1	Low	68.5	Low	117 Å²	117	74.9 Å²	74.9	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-97.4	-18.3	-163.4	-75.1	-19.2	0	0	0	116.2	F39 A40	F39-N43 WeakPolarHBondContact O-CB 3.49Å; F39-N43 PolarHBondContact O-N 2.87Å; F39-N43 PolarHBondContact O-ND2 2.87Å; A40-N43 PolarHBondContact O-N 3.29Å
44	N	51.9	Low	70.5	Confident	138 Å²	138	72.6 Å²	72.6	74%	0.738	40%	0.398	S	S	*	.	S	Bend	trans	-131.5	0.1	-167.7	-83.6	-36.8	0	0	0	117.4
45	N	62	Low	72.3	Confident	142 Å²	142	71.7 Å²	71.7	76%	0.759	40%	0.398	S	S	*	.	S	Bend	trans	-142.5	145.3	168.2	-81.5	-51.4	0	0	0	109.6	D47	N45-D47 PolarHBondContact O-N 2.98Å
46	L	71.8	Confident	74.1	Confident	111 Å²	111	72.6 Å²	72.6	58%	0.581	40%	0.404	S	S	*	.			trans	-64.1	121.6	168.9	-64.2	173	0	0	0	108.4	L48 Y63	L46-L48 HydrophobicContact CB-CD1 4.14Å; L46-L48 HydrophobicContact CB-CD2 4.47Å; L46-L48 HydrophobicContact CB-CG 3.88Å; L46-L48 PolarHBondContact O-N 3.38Å; L46-Y63 HydrophobicContact CD2-CD1 3.72Å; L46-Y63 HydrophobicContact CD2-CE1 3.64Å; L46-Y63 HydrophobicContact CD2-CG 4.31Å
47	D	80	Confident	76.2	Confident	41 Å²	41	67.9 Å²	67.9	22%	0.219	38%	0.379	C	S	.	.			trans	-71.7	72.8	176.2	172.1	48.8	0	0	0	110.6	N45 E49 S61 Y63 R168	N45-D47 PolarHBondContact O-N 2.98Å; D47-E49 PolarHBondContact O-N 3.49Å; D47-S61 PolarHBondContact O-OG 2.98Å; D47-S61 WeakPolarHBondContact OD2-CB 3.12Å; D47-S61 PolarHBondContact OD2-OG 3.44Å; D47-Y63 HydrophobicContact CB-CD2 4.26Å; D47-R168 IonicContact OD1-NH1 3.22Å; D47-R168 PolarHBondContact OD1-NH1 3.33Å; D47-R168 IonicContact OD1-NH2 3.73Å; D47-R168 IonicContact OD2-CZ 2.87Å; D47-R168 IonicContact OD2-NH1 3.22Å; D47-R168 PolarHBondContact OD2-NH1 2.96Å; D47-R168 IonicContact OD2-NH2 2.64Å; D47-R168 PolarHBondContact OD2-NH2 2.87Å
48	L	81.9	Confident	78.2	Confident	65 Å²	65	64.7 Å²	64.7	34%	0.34	36%	0.357	S	S	.	.			trans	-84.7	9.1	177.2	-64.4	172.2	0	0	0	112.4	L46 V64	L46-L48 HydrophobicContact CB-CD1 4.14Å; L46-L48 HydrophobicContact CB-CD2 4.47Å; L46-L48 HydrophobicContact CB-CG 3.88Å; L46-L48 PolarHBondContact O-N 3.38Å; L48-V64 VanDerWaalsContact C-CG2 3.42Å; L48-V64 WeakPolarHBondContact O-CG2 3.28Å
49	E	87.5	Confident	80.1	Confident	148 Å²	148	63.2 Å²	63.2	69%	0.692	35%	0.35	S	S	*	.			trans	-93.6	128.6	177.2	-64.2	-164.2	168	0	0	111.6	D47 R168	D47-E49 PolarHBondContact O-N 3.49Å; E49-R168 PolarHBondContact O-NH1 3.26Å
50	A	94.4	Very high	82.1	Confident	11 Å²	11	58.7 Å²	58.7	9%	0.091	33%	0.33	C	S	.	.			trans	-105.8	120	170.6	0	0	0	0	0	109.4	L58 V64 Y74 L131	A50-L58 HydrophobicContact CB-CB 4.25Å; A50-L58 HydrophobicContact CB-CD2 3.71Å; A50-V64 HydrophobicContact CB-CG1 4.16Å; A50-V64 HydrophobicContact CB-CG2 4.35Å; A50-Y74 HydrophobicContact CB-CD2 4.12Å; A50-Y74 HydrophobicContact CB-CE2 3.62Å; A50-Y74 PolarHBondContact N-OH 3.4Å; A50-L131 HydrophobicContact CB-CD1 4.23Å
51	A	97.1	Very high	84.2	Confident	16 Å²	16	56 Å²	56	13%	0.132	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.2	177	0	0	0	0	0	109.9	I53 L58 L59 K167 R168	A51-I53 HydrophobicContact CB-CD1 4.06Å; A51-I53 PolarHBondContact O-N 3.06Å; A51-L58 CarbonylContact O-C 3.53Å; A51-L58 VanDerWaalsContact O-CA 3.31Å; A51-L58 WeakPolarHBondContact O-CA 3.42Å; A51-L59 PolarHBondContact N-O 3.13Å; A51-L59 PolarHBondContact O-N 3.13Å; A51-K167 WeakPolarHBondContact CB-O 3.34Å; A51-R168 HydrophobicContact CB-CB 3.81Å; A51-R168 HydrophobicContact CB-CG 4.43Å
52	E	97.8	Very high	86.2	Confident	77 Å²	77	55 Å²	55	36%	0.36	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	101	173.7	-173.2	155.3	-141.4	0	0	110.3	L54 N56 L57 L58 R129 K167	E52-L54 WeakPolarHBondContact CG-O 3.39Å; E52-N56 PolarHBondContact OE1-N 3.35Å; E52-N56 VanDerWaalsContact OE1-N 3.13Å; E52-L57 CarbonylContact C-O 3.18Å; E52-L58 HydrophobicContact CB-CG 4.36Å; E52-R129 IonicContact OE1-CZ 3.69Å; E52-R129 IonicContact OE1-NE 3.04Å; E52-R129 PolarHBondContact OE1-NE 3.14Å; E52-R129 IonicContact OE1-NH2 3.81Å; E52-R129 PolarHBondContact OE1-NH2 3.04Å; E52-R129 IonicContact OE2-CZ 2.71Å; E52-R129 IonicContact OE2-NH2 2.78Å; E52-R129 PolarHBondContact OE2-NH2 2.85Å; E52-K167 PolarHBondContact O-NZ 3.37Å
53	I	98.5	Very high	88.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-50.3	-176.6	-54.4	-54.5	0	0	0	109.9	A51 L57 L59 V145 L149 Y163 I164 K167	A51-I53 HydrophobicContact CB-CD1 4.06Å; A51-I53 PolarHBondContact O-N 3.06Å; I53-L57 PolarHBondContact N-O 3.3Å; I53-L59 HydrophobicContact CD1-CB 4.06Å; I53-L59 HydrophobicContact CD1-CD2 4.11Å; I53-L59 HydrophobicContact CG1-CB 3.73Å; I53-L59 HydrophobicContact CG1-CD2 4.39Å; I53-V145 HydrophobicContact CB-CG1 4.25Å; I53-V145 HydrophobicContact CG1-CG1 4.13Å; I53-V145 HydrophobicContact CG2-CG1 3.81Å; I53-L149 HydrophobicContact CG2-CD1 4.21Å; I53-Y163 HydrophobicContact CG2-CD1 4.26Å; I53-Y163 HydrophobicContact CG2-CE1 4.12Å; I53-Y163 VanDerWaalsContact O-CE1 3.26Å; I53-Y163 WeakPolarHBondContact O-CE1 3.43Å; I53-Y163 PolarHBondContact O-OH 3.38Å; I53-I164 HydrophobicContact CD1-CG2 4.22Å; I53-I164 HydrophobicContact CG2-CG1 4.13Å; I53-K167 HydrophobicContact CD1-CB 3.95Å; I53-K167 HydrophobicContact CD1-CD 4.2Å; I53-K167 WeakPolarHBondContact O-CE 3.42Å; I53-K167 PolarHBondContact O-NZ 2.94Å
54	L	98	Very high	90.2	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.089	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	164.7	170.9	-68.3	175.8	0	0	0	108.8	E52 N56 L57 Y148 L149 E153 Y163	E52-L54 WeakPolarHBondContact CG-O 3.39Å; L54-N56 PolarHBondContact O-N 3.45Å; L54-N56 VanDerWaalsContact O-N 3.09Å; L54-L57 HydrophobicContact CB-CB 4.21Å; L54-L57 PolarHBondContact N-O 3.15Å; L54-L57 PolarHBondContact O-N 2.89Å; L54-Y148 HydrophobicContact CD1-CE1 4.49Å; L54-L149 HydrophobicContact CD1-CD2 3.44Å; L54-L149 VanDerWaalsContact CD1-CD2 3.44Å; L54-L149 HydrophobicContact CG-CD2 4.01Å; L54-E153 HydrophobicContact CD1-CG 3.65Å; L54-E153 VanDerWaalsContact CD1-OE1 3.28Å; L54-E153 WeakPolarHBondContact CD1-OE1 3.38Å; L54-Y163 HydrophobicContact CD2-CE1 3.88Å; L54-Y163 HydrophobicContact CG-CE1 4.45Å
55	P	97.5	Very high	92.2	Very high	93 Å²	93	43.9 Å²	43.9	60%	0.604	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.7	123.5	169.3	-28.2	35.9	0	0	0	110.7	L57 R124	P55-L57 VanDerWaalsContact C-N 3.32Å; P55-L57 PolarHBondContact O-N 2.93Å; P55-R124 PolarHBondContact O-NE 3.23Å; P55-R124 VanDerWaalsContact O-NE 3.12Å; P55-R124 PolarHBondContact O-NH2 2.87Å
56	N	97.9	Very high	93.8	Very high	60 Å²	60	39.7 Å²	39.7	32%	0.321	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	14.7	-177.8	-58	-26.9	0	0	0	116.6	E52 L54 R124 R129 V130	E52-N56 PolarHBondContact OE1-N 3.35Å; E52-N56 VanDerWaalsContact OE1-N 3.13Å; L54-N56 PolarHBondContact O-N 3.45Å; L54-N56 VanDerWaalsContact O-N 3.09Å; N56-R124 HydrophobicContact CB-CG 4.45Å; N56-R129 HydrophobicContact CB-CB 4.45Å; N56-R129 HydrophobicContact CB-CG 4.38Å; N56-V130 PolarHBondContact O-N 2.85Å
57	L	98.8	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.2	175.9	-179.3	55.2	0	0	0	111.8	E52 I53 L54 P55 I120 V130 V132 V145 Y148	E52-L57 CarbonylContact C-O 3.18Å; I53-L57 PolarHBondContact N-O 3.3Å; L54-L57 HydrophobicContact CB-CB 4.21Å; L54-L57 PolarHBondContact N-O 3.15Å; L54-L57 PolarHBondContact O-N 2.89Å; P55-L57 VanDerWaalsContact C-N 3.32Å; P55-L57 PolarHBondContact O-N 2.93Å; L57-I120 HydrophobicContact CD1-CG2 3.7Å; L57-I120 HydrophobicContact CD2-CG2 4.24Å; L57-V130 HydrophobicContact CD1-CB 4.26Å; L57-V132 HydrophobicContact CD1-CG2 3.85Å; L57-V145 HydrophobicContact CD2-CG1 4.4Å; L57-Y148 HydrophobicContact CD2-CD1 3.66Å; L57-Y148 HydrophobicContact CD2-CE1 3.89Å; L57-Y148 HydrophobicContact CD2-CG 4.47Å
58	L	98.6	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.2	-175.4	-66.1	93.2	0	0	0	112.7	A50 A51 E52 Y74 I76 R129 V130 L131 V132	A50-L58 HydrophobicContact CB-CB 4.25Å; A50-L58 HydrophobicContact CB-CD2 3.71Å; A51-L58 CarbonylContact O-C 3.53Å; A51-L58 VanDerWaalsContact O-CA 3.31Å; A51-L58 WeakPolarHBondContact O-CA 3.42Å; E52-L58 HydrophobicContact CB-CG 4.36Å; L58-Y74 HydrophobicContact CD2-CD1 3.95Å; L58-Y74 HydrophobicContact CD2-CE1 4.25Å; L58-Y74 HydrophobicContact CD2-CG 4.19Å; L58-I76 HydrophobicContact CD1-CD1 3.99Å; L58-R129 HydrophobicContact CD1-CG 3.52Å; L58-R129 VanDerWaalsContact CD1-NH1 3.35Å; L58-V130 PolarHBondContact N-O 3.31Å; L58-L131 HydrophobicContact CB-CD1 3.81Å; L58-V132 PolarHBondContact O-N 2.83Å
59	L	98.6	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.9	-179.9	173.6	66.6	0	0	0	110.5	A51 I53 V132 S141 V142 V145 I164 R168	A51-L59 PolarHBondContact N-O 3.13Å; A51-L59 PolarHBondContact O-N 3.13Å; I53-L59 HydrophobicContact CD1-CB 4.06Å; I53-L59 HydrophobicContact CD1-CD2 4.11Å; I53-L59 HydrophobicContact CG1-CB 3.73Å; I53-L59 HydrophobicContact CG1-CD2 4.39Å; L59-V132 WeakPolarHBondContact CA-O 3.41Å; L59-S141 VanDerWaalsContact CD1-OG 3.31Å; L59-S141 WeakPolarHBondContact CD1-OG 3.39Å; L59-V142 HydrophobicContact CD1-CG2 4.27Å; L59-V142 HydrophobicContact CD2-CG2 3.72Å; L59-V145 HydrophobicContact CD1-CG2 4.2Å; L59-I164 HydrophobicContact CD2-CG2 3.62Å; L59-R168 HydrophobicContact CD2-CB 4.33Å
60	S	97.9	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	175.2	-179.5	73.3	0	0	0	0	114	L131 V132 H133 G137	S60-L131 WeakPolarHBondContact OG-CD1 3.48Å; S60-V132 PolarHBondContact N-O 2.88Å; S60-H133 WeakPolarHBondContact O-CA 3.37Å; S60-G137 WeakPolarHBondContact O-CA 3.36Å
61	S	96.6	Very high	96.8	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	17%	0.173	C	C	.	.			trans	-76.1	-179.5	156.9	68.9	0	0	0	0	112.3	D47 Y63 C134 N135	D47-S61 PolarHBondContact O-OG 2.98Å; D47-S61 WeakPolarHBondContact OD2-CB 3.12Å; D47-S61 PolarHBondContact OD2-OG 3.44Å; S61-Y63 VanDerWaalsContact C-N 3.27Å; S61-Y63 PolarHBondContact O-N 3.17Å; S61-Y63 WeakPolarHBondContact OG-CD2 3.39Å; S61-Y63 PolarHBondContact OG-N 2.8Å; S61-C134 CarbonylContact C-O 3.57Å; S61-N135 WeakPolarHBondContact CB-O 3.21Å
62	Q	96.6	Very high	96.8	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-22.3	176.7	69.3	-166.5	15.5	0	0	114.1	V64 A65 L66 V86 C134 N135	Q62-V64 PolarHBondContact O-N 3.27Å; Q62-A65 PolarHBondContact O-N 2.94Å; Q62-A65 VanDerWaalsContact O-N 3.07Å; Q62-L66 HydrophobicContact CG-CD1 4.41Å; Q62-L66 WeakPolarHBondContact O-CG 3.34Å; Q62-L66 PolarHBondContact O-N 2.91Å; Q62-V86 HydrophobicContact CB-CG1 4.46Å; Q62-V86 HydrophobicContact CB-CG2 4.02Å; Q62-V86 VanDerWaalsContact OE1-CG2 3.25Å; Q62-C134 PolarHBondContact N-O 3.3Å; Q62-N135 WeakPolarHBondContact CG-O 3.26Å; Q62-N135 PolarHBondContact N-O 3.16Å; Q62-N135 PolarHBondContact OE1-ND2 2.59Å
63	Y	95.3	Very high	96.7	Very high	97 Å²	97	41.1 Å²	41.1	38%	0.38	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-42.3	-173.6	-62.2	-68	0	0	0	111.4	L46 D47 S61 A65 L66 D67	L46-Y63 HydrophobicContact CD2-CD1 3.72Å; L46-Y63 HydrophobicContact CD2-CE1 3.64Å; L46-Y63 HydrophobicContact CD2-CG 4.31Å; D47-Y63 HydrophobicContact CB-CD2 4.26Å; S61-Y63 VanDerWaalsContact C-N 3.27Å; S61-Y63 PolarHBondContact O-N 3.17Å; S61-Y63 WeakPolarHBondContact OG-CD2 3.39Å; S61-Y63 PolarHBondContact OG-N 2.8Å; Y63-A65 VanDerWaalsContact C-N 3.32Å; Y63-A65 PolarHBondContact O-N 3.25Å; Y63-L66 PolarHBondContact O-N 2.63Å; Y63-D67 PolarHBondContact O-N 2.9Å
64	V	94.8	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56	-44.6	169	174	0	0	0	0	111.9	L48 A50 Q62 L66 D67 V70 L71 L131	L48-V64 VanDerWaalsContact C-CG2 3.42Å; L48-V64 WeakPolarHBondContact O-CG2 3.28Å; A50-V64 HydrophobicContact CB-CG1 4.16Å; A50-V64 HydrophobicContact CB-CG2 4.35Å; Q62-V64 PolarHBondContact O-N 3.27Å; V64-L66 PolarHBondContact O-N 3.48Å; V64-D67 PolarHBondContact O-N 3.36Å; V64-V70 HydrophobicContact CB-CG1 4.49Å; V64-V70 HydrophobicContact CG1-CG1 3.97Å; V64-V70 HydrophobicContact CG2-CG1 4.4Å; V64-L71 HydrophobicContact CG1-CD2 4.4Å; V64-L131 HydrophobicContact CG1-CD1 4.21Å; V64-L131 HydrophobicContact CG1-CD2 3.7Å
65	A	95.4	Very high	96.6	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-71.5	-15	-176.9	0	0	0	0	0	113.9	Q62 Y63 L131 H133	Q62-A65 PolarHBondContact O-N 2.94Å; Q62-A65 VanDerWaalsContact O-N 3.07Å; Y63-A65 VanDerWaalsContact C-N 3.32Å; Y63-A65 PolarHBondContact O-N 3.25Å; A65-L131 HydrophobicContact CB-CD2 4.27Å; A65-H133 HydrophobicContact CB-CB 4.48Å; A65-H133 WeakPolarHBondContact CB-NE2 3.14Å
66	L	94.8	Very high	96.6	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.277	23%	0.225	S	C	.	.	H	α-helix	trans	-99.3	-6.7	180	-72.4	170.9	0	0	0	113.8	Q62 Y63 V64 V86 R89 F90	Q62-L66 HydrophobicContact CG-CD1 4.41Å; Q62-L66 WeakPolarHBondContact O-CG 3.34Å; Q62-L66 PolarHBondContact O-N 2.91Å; Y63-L66 PolarHBondContact O-N 2.63Å; V64-L66 PolarHBondContact O-N 3.48Å; L66-V86 HydrophobicContact CD1-CG1 4.4Å; L66-V86 HydrophobicContact CD2-CG1 4.03Å; L66-V86 HydrophobicContact CG-CG1 4.22Å; L66-R89 HydrophobicContact CD2-CB 4.44Å; L66-R89 PolarHBondContact O-NH1 3.28Å; L66-F90 WeakPolarHBondContact O-CZ 3.45Å
67	D	94.7	Very high	96.6	Very high	49 Å²	49	48.2 Å²	48.2	26%	0.262	23%	0.225	S	C	.	.			trans	-112.1	109.4	178.8	-171.5	-36	0	0	0	111.7	Y63 V64 N69 V70 L71	Y63-D67 PolarHBondContact O-N 2.9Å; V64-D67 PolarHBondContact O-N 3.36Å; D67-N69 VanDerWaalsContact C-N 3.31Å; D67-N69 PolarHBondContact O-N 3.11Å; D67-N69 WeakPolarHBondContact OD1-CA 3.38Å; D67-N69 VanDerWaalsContact OD1-CB 3.32Å; D67-N69 WeakPolarHBondContact OD1-CB 3.38Å; D67-N69 PolarHBondContact OD1-N 3.09Å; D67-N69 PolarHBondContact OD1-ND2 3.1Å; D67-V70 HydrophobicContact CB-CB 4.07Å; D67-V70 HydrophobicContact CB-CG2 3.93Å; D67-V70 PolarHBondContact O-N 3.26Å; D67-V70 PolarHBondContact OD1-N 3.48Å; D67-V70 VanDerWaalsContact OD1-N 3.15Å; D67-L71 WeakPolarHBondContact O-CG 3.34Å; D67-L71 PolarHBondContact O-N 3.47Å
68	I	96	Very high	96.6	Very high	49 Å²	49	49.4 Å²	49.4	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-32.1	-179.9	-167.2	166.1	0	0	0	113.2	L71 L72 F90	I68-L71 PolarHBondContact O-N 2.8Å; I68-L72 HydrophobicContact CG1-CD1 3.95Å; I68-L72 HydrophobicContact CG1-CG 4.15Å; I68-L72 WeakPolarHBondContact O-CB 3.26Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.29Å; I68-L72 PolarHBondContact O-N 3.46Å; I68-F90 HydrophobicContact CB-CD1 4.15Å; I68-F90 HydrophobicContact CB-CD2 4.37Å; I68-F90 HydrophobicContact CB-CE1 3.77Å; I68-F90 HydrophobicContact CB-CE2 4Å; I68-F90 HydrophobicContact CB-CG 4.44Å; I68-F90 HydrophobicContact CB-CZ 3.68Å; I68-F90 HydrophobicContact CD1-CD1 3.92Å; I68-F90 HydrophobicContact CD1-CE1 4.23Å; I68-F90 HydrophobicContact CD1-CG 4.35Å; I68-F90 HydrophobicContact CG1-CD1 4.36Å; I68-F90 HydrophobicContact CG1-CE1 4.45Å; I68-F90 HydrophobicContact CG2-CE1 4.35Å; I68-F90 HydrophobicContact CG2-CZ 4.37Å
69	N	95.7	Very high	96.6	Very high	116 Å²	116	49.4 Å²	49.4	62%	0.62	23%	0.231	S	C	*	.	H	α-helix	trans	-69.4	-39.2	179.7	-56.4	-65.3	0	0	0	110.3	D67 K73	D67-N69 VanDerWaalsContact C-N 3.31Å; D67-N69 PolarHBondContact O-N 3.11Å; D67-N69 WeakPolarHBondContact OD1-CA 3.38Å; D67-N69 VanDerWaalsContact OD1-CB 3.32Å; D67-N69 WeakPolarHBondContact OD1-CB 3.38Å; D67-N69 PolarHBondContact OD1-N 3.09Å; D67-N69 PolarHBondContact OD1-ND2 3.1Å; N69-K73 WeakPolarHBondContact O-CB 3.47Å; N69-K73 PolarHBondContact O-N 3.11Å
70	V	95.2	Very high	96.6	Very high	20 Å²	20	49.4 Å²	49.4	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-44	174.7	179.5	0	0	0	0	110.7	V64 D67 L72 K73 Y74	V64-V70 HydrophobicContact CB-CG1 4.49Å; V64-V70 HydrophobicContact CG1-CG1 3.97Å; V64-V70 HydrophobicContact CG2-CG1 4.4Å; D67-V70 HydrophobicContact CB-CB 4.07Å; D67-V70 HydrophobicContact CB-CG2 3.93Å; D67-V70 PolarHBondContact O-N 3.26Å; D67-V70 PolarHBondContact OD1-N 3.48Å; D67-V70 VanDerWaalsContact OD1-N 3.15Å; V70-L72 PolarHBondContact O-N 3.49Å; V70-K73 PolarHBondContact O-N 2.95Å; V70-Y74 HydrophobicContact CG1-CD2 3.64Å; V70-Y74 HydrophobicContact CG1-CE2 3.55Å; V70-Y74 WeakPolarHBondContact O-CB 3.11Å; V70-Y74 VanDerWaalsContact O-CD2 3.24Å; V70-Y74 WeakPolarHBondContact O-CD2 3.23Å; V70-Y74 PolarHBondContact O-N 2.84Å
71	L	97.4	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-43.9	175.4	-67.8	171.7	0	0	0	112.7	V64 D67 I68 Y74 R75 I76 I79 F90 F94 L131	V64-L71 HydrophobicContact CG1-CD2 4.4Å; D67-L71 WeakPolarHBondContact O-CG 3.34Å; D67-L71 PolarHBondContact O-N 3.47Å; I68-L71 PolarHBondContact O-N 2.8Å; L71-Y74 CarbonylContact O-C 3.46Å; L71-Y74 PolarHBondContact O-N 3.18Å; L71-R75 PolarHBondContact O-N 3.06Å; L71-R75 VanDerWaalsContact O-N 3.08Å; L71-I76 HydrophobicContact CB-CB 4.45Å; L71-I76 HydrophobicContact CB-CG1 4.48Å; L71-I76 HydrophobicContact CD2-CB 4.16Å; L71-I76 HydrophobicContact CD2-CG1 3.85Å; L71-I76 HydrophobicContact CD2-CG2 4.27Å; L71-I76 PolarHBondContact O-N 3.45Å; L71-I79 HydrophobicContact CD1-CD1 4Å; L71-I79 HydrophobicContact CD2-CD1 3.97Å; L71-F90 HydrophobicContact CD1-CD2 3.61Å; L71-F90 HydrophobicContact CD1-CE2 3.96Å; L71-F94 HydrophobicContact CB-CE1 4.2Å; L71-F94 HydrophobicContact CB-CE2 4.08Å; L71-F94 HydrophobicContact CB-CZ 3.56Å; L71-F94 HydrophobicContact CD1-CD2 4.23Å; L71-F94 HydrophobicContact CD1-CE2 3.56Å; L71-F94 HydrophobicContact CD1-CZ 3.97Å; L71-F94 HydrophobicContact CG-CE2 4.42Å; L71-F94 HydrophobicContact CG-CZ 4.37Å; L71-L131 HydrophobicContact CD2-CD2 3.55Å
72	L	96.6	Very high	96.8	Very high	100 Å²	100	49.3 Å²	49.3	52%	0.524	23%	0.23	S	C	.	.	H	α-helix	trans	-69.7	-40.2	177.4	-69.7	174.4	0	0	0	112.3	I68 V70 Y74 R75 F94	I68-L72 HydrophobicContact CG1-CD1 3.95Å; I68-L72 HydrophobicContact CG1-CG 4.15Å; I68-L72 WeakPolarHBondContact O-CB 3.26Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.29Å; I68-L72 PolarHBondContact O-N 3.46Å; V70-L72 PolarHBondContact O-N 3.49Å; L72-Y74 VanDerWaalsContact C-N 3.26Å; L72-Y74 PolarHBondContact O-N 3.34Å; L72-R75 WeakPolarHBondContact O-CA 3.31Å; L72-R75 PolarHBondContact O-N 3.35Å; L72-F94 HydrophobicContact CD2-CZ 4.44Å
73	K	95.6	Very high	96.8	Very high	166 Å²	166	47.6 Å²	47.6	72%	0.722	22%	0.222	S	C	*	.	H	α-helix	trans	-56.5	-42.4	172	176.3	-173.5	176.1	-172.9	0	111.2	N69 V70 R75	N69-K73 WeakPolarHBondContact O-CB 3.47Å; N69-K73 PolarHBondContact O-N 3.11Å; V70-K73 PolarHBondContact O-N 2.95Å; K73-R75 VanDerWaalsContact C-N 3.25Å; K73-R75 PolarHBondContact O-N 3.02Å
74	Y	96.2	Very high	96.7	Very high	51 Å²	51	44.1 Å²	44.1	20%	0.2	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	3.4	174.1	-74.7	-53.8	0	0	0	114	A50 L58 V70 L71 L72 I76 R129	A50-Y74 HydrophobicContact CB-CD2 4.12Å; A50-Y74 HydrophobicContact CB-CE2 3.62Å; A50-Y74 PolarHBondContact N-OH 3.4Å; L58-Y74 HydrophobicContact CD2-CD1 3.95Å; L58-Y74 HydrophobicContact CD2-CE1 4.25Å; L58-Y74 HydrophobicContact CD2-CG 4.19Å; V70-Y74 HydrophobicContact CG1-CD2 3.64Å; V70-Y74 HydrophobicContact CG1-CE2 3.55Å; V70-Y74 WeakPolarHBondContact O-CB 3.11Å; V70-Y74 VanDerWaalsContact O-CD2 3.24Å; V70-Y74 WeakPolarHBondContact O-CD2 3.23Å; V70-Y74 PolarHBondContact O-N 2.84Å; L71-Y74 CarbonylContact O-C 3.46Å; L71-Y74 PolarHBondContact O-N 3.18Å; L72-Y74 VanDerWaalsContact C-N 3.26Å; L72-Y74 PolarHBondContact O-N 3.34Å; Y74-I76 PolarHBondContact O-N 3.49Å; Y74-I76 VanDerWaalsContact O-N 3.08Å; Y74-R129 WeakPolarHBondContact O-CD 3.28Å; Y74-R129 PolarHBondContact O-NH1 2.94Å
75	R	97.5	Very high	96.6	Very high	206 Å²	206	54.8 Å²	54.8	78%	0.777	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	36.8	-179.1	-56.2	178.8	-179.5	149.6	-0.5	112.7	L71 L72 K73 R129	L71-R75 PolarHBondContact O-N 3.06Å; L71-R75 VanDerWaalsContact O-N 3.08Å; L72-R75 WeakPolarHBondContact O-CA 3.31Å; L72-R75 PolarHBondContact O-N 3.35Å; K73-R75 VanDerWaalsContact C-N 3.25Å; K73-R75 PolarHBondContact O-N 3.02Å; R75-R129 WeakPolarHBondContact O-CB 3.26Å
76	I	98.4	Very high	96.5	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.036	26%	0.256	C	S	.	.			trans	-61.4	143	178.5	-59.4	-53.5	0	0	0	108.8	L58 L71 Y74 H78 I79 F94 R129 L131	L58-I76 HydrophobicContact CD1-CD1 3.99Å; L71-I76 HydrophobicContact CB-CB 4.45Å; L71-I76 HydrophobicContact CB-CG1 4.48Å; L71-I76 HydrophobicContact CD2-CB 4.16Å; L71-I76 HydrophobicContact CD2-CG1 3.85Å; L71-I76 HydrophobicContact CD2-CG2 4.27Å; L71-I76 PolarHBondContact O-N 3.45Å; Y74-I76 PolarHBondContact O-N 3.49Å; Y74-I76 VanDerWaalsContact O-N 3.08Å; I76-H78 WeakPolarHBondContact CG2-O 3.44Å; I76-I79 HydrophobicContact CG2-CD1 4.08Å; I76-I79 HydrophobicContact CG2-CG1 3.59Å; I76-F94 HydrophobicContact CB-CD1 4.38Å; I76-F94 HydrophobicContact CB-CE1 4.26Å; I76-F94 HydrophobicContact CG2-CD1 4.24Å; I76-F94 WeakPolarHBondContact O-CD1 3.17Å; I76-F94 WeakPolarHBondContact O-CE1 3.41Å; I76-R129 HydrophobicContact CD1-CG 4.18Å; I76-L131 HydrophobicContact CD1-CB 4.04Å; I76-L131 HydrophobicContact CG1-CB 4.32Å; I76-L131 HydrophobicContact CG2-CB 4.02Å
77	T	98.6	Very high	96.4	Very high	55 Å²	55	60 Å²	60	34%	0.337	28%	0.277	S	S	.	.			trans	-126.5	-28.7	175.6	55.9	0	0	0	0	111.7	F94 I95 G128 R129	T77-F94 WeakPolarHBondContact O-CA 3.48Å; T77-I95 PolarHBondContact O-N 3.36Å; T77-G128 WeakPolarHBondContact OG1-CA 3.46Å; T77-R129 PolarHBondContact N-O 3.1Å; T77-R129 PolarHBondContact OG1-N 3.14Å; T77-R129 PolarHBondContact OG1-O 3.49Å; T77-R129 VanDerWaalsContact OG1-O 3.12Å
78	H	98.8	Very high	96.5	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.111	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.6	-177.6	-66.3	76.4	0	0	0	110.3	I76 I95 F119 A123 R129 V130 L131	I76-H78 WeakPolarHBondContact CG2-O 3.44Å; H78-I95 CarbonylContact C-O 3.59Å; H78-I95 VanDerWaalsContact CA-O 3.25Å; H78-I95 WeakPolarHBondContact CA-O 3.41Å; H78-F119 HydrophobicContact CB-CE1 4.29Å; H78-F119 HydrophobicContact CB-CZ 3.88Å; H78-F119 AromaticContact CD2-CE2 3.99Å; H78-A123 HydrophobicContact CB-CB 3.94Å; H78-A123 VanDerWaalsContact CD2-CB 3.44Å; H78-A123 WeakPolarHBondContact CD2-CB 3.09Å; H78-A123 VanDerWaalsContact CG-CB 3.45Å; H78-R129 PolarHBondContact N-O 3.14Å; H78-V130 HydrophobicContact CB-CB 4.48Å; H78-V130 HydrophobicContact CB-CG1 4.25Å; H78-V130 HydrophobicContact CB-CG2 4.19Å; H78-V130 CarbonylContact O-C 3.6Å; H78-V130 WeakPolarHBondContact O-CA 3.38Å; H78-L131 PolarHBondContact O-N 2.88Å
79	I	98.7	Very high	96.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.9	-178.9	-58.6	177.6	0	0	0	110	L71 I76 F94 I95 Y96 K97 L131	L71-I79 HydrophobicContact CD1-CD1 4Å; L71-I79 HydrophobicContact CD2-CD1 3.97Å; I76-I79 HydrophobicContact CG2-CD1 4.08Å; I76-I79 HydrophobicContact CG2-CG1 3.59Å; I79-F94 HydrophobicContact CD1-CB 3.92Å; I79-F94 HydrophobicContact CD1-CD2 3.74Å; I79-F94 HydrophobicContact CD1-CE2 4.44Å; I79-F94 HydrophobicContact CD1-CG 3.81Å; I79-F94 HydrophobicContact CG1-CB 4.17Å; I79-F94 HydrophobicContact CG1-CG 4.43Å; I79-I95 PolarHBondContact N-O 2.86Å; I79-Y96 HydrophobicContact CB-CD1 3.69Å; I79-Y96 HydrophobicContact CB-CE1 3.69Å; I79-Y96 HydrophobicContact CB-CG 4.33Å; I79-Y96 HydrophobicContact CD1-CE1 3.8Å; I79-Y96 HydrophobicContact CD1-CE2 4.32Å; I79-Y96 HydrophobicContact CG1-CE1 4.29Å; I79-Y96 HydrophobicContact CG2-CD1 3.83Å; I79-Y96 HydrophobicContact CG2-CE1 3.64Å; I79-Y96 CarbonylContact O-C 3.42Å; I79-Y96 WeakPolarHBondContact O-CA 3.28Å; I79-K97 PolarHBondContact O-N 3.17Å; I79-L131 CarbonylContact C-O 3.58Å; I79-L131 WeakPolarHBondContact CA-O 3.23Å; I79-L131 HydrophobicContact CG1-CB 4.32Å
80	L	98.8	Very high	96.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.8	166.9	176.8	56.6	0	0	0	108.9	K97 V99 C116 F119 I120 L131 V132 H133 F144	L80-K97 CarbonylContact C-O 3.33Å; L80-K97 WeakPolarHBondContact CA-O 3.42Å; L80-K97 HydrophobicContact CD1-CB 3.9Å; L80-K97 HydrophobicContact CD1-CG 3.68Å; L80-V99 HydrophobicContact CD1-CG1 4.41Å; L80-V99 HydrophobicContact CD1-CG2 4.22Å; L80-C116 HydrophobicContact CD2-CB 3.8Å; L80-F119 HydrophobicContact CB-CD1 4.15Å; L80-F119 HydrophobicContact CB-CE1 3.95Å; L80-I120 HydrophobicContact CD2-CD1 4Å; L80-I120 HydrophobicContact CD2-CG1 4.31Å; L80-L131 PolarHBondContact N-O 2.93Å; L80-V132 HydrophobicContact CB-CG1 4.27Å; L80-V132 HydrophobicContact CB-CG2 4.21Å; L80-V132 HydrophobicContact CD2-CG1 3.89Å; L80-V132 HydrophobicContact CD2-CG2 4.32Å; L80-V132 HydrophobicContact CG-CG1 4.16Å; L80-H133 PolarHBondContact O-N 2.82Å; L80-F144 HydrophobicContact CD2-CB 4.08Å; L80-F144 HydrophobicContact CD2-CG 4.19Å
81	N	98.5	Very high	96.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	106.7	179.7	-177.7	-3.1	0	0	0	110.5	A83 V86 N88 K97 R98 V99 H133	N81-A83 WeakPolarHBondContact OD1-CB 3.47Å; N81-A83 PolarHBondContact OD1-N 3Å; N81-V86 PolarHBondContact ND2-O 2.88Å; N81-N88 PolarHBondContact ND2-OD1 3.05Å; N81-K97 PolarHBondContact N-O 2.96Å; N81-R98 PolarHBondContact ND2-NH1 2.81Å; N81-R98 WeakPolarHBondContact O-CA 3.24Å; N81-V99 PolarHBondContact O-N 3.21Å; N81-H133 WeakPolarHBondContact CA-NE2 3.43Å; N81-H133 WeakPolarHBondContact CB-NE2 3.34Å; N81-H133 VanDerWaalsContact CG-CE1 3.48Å; N81-H133 VanDerWaalsContact CG-NE2 3.35Å; N81-H133 PolarHBondContact OD1-CE1 3.05Å; N81-H133 PolarHBondContact OD1-NE2 3.5Å
82	A	98.2	Very high	96.3	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.325	C	S	.	.			trans	-110.8	28.6	173.2	0	0	0	0	0	112.2	V99 V101 H133 C134 R140 F144	A82-V99 HydrophobicContact CB-CG2 3.62Å; A82-V101 HydrophobicContact CB-CG2 4.19Å; A82-H133 WeakPolarHBondContact CB-O 3.19Å; A82-H133 PolarHBondContact N-O 3.37Å; A82-C134 HydrophobicContact CB-CB 4.33Å; A82-C134 VanDerWaalsContact O-CB 3.27Å; A82-C134 WeakPolarHBondContact O-CB 3.06Å; A82-R140 HydrophobicContact CB-CB 4.35Å; A82-R140 PolarHBondContact O-NH1 2.91Å; A82-F144 HydrophobicContact CB-CD2 3.91Å; A82-F144 HydrophobicContact CB-CE2 3.64Å
83	A	96.6	Very high	96.3	Very high	2 Å²	2	71.2 Å²	71.2	2%	0.017	32%	0.324	C	S	.	.			trans	-98.5	136.1	179.8	0	0	0	0	0	111.9	N81 V86 R98	N81-A83 WeakPolarHBondContact OD1-CB 3.47Å; N81-A83 PolarHBondContact OD1-N 3Å; A83-V86 HydrophobicContact CB-CB 3.73Å; A83-V86 HydrophobicContact CB-CG2 3.67Å; A83-R98 PolarHBondContact O-NH2 2.85Å
84	S	94.1	Very high	96.4	Very high	25 Å²	25	63.9 Å²	63.9	18%	0.175	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	135.3	170.8	-52.3	0	0	0	0	109	V86 N135 R140	S84-V86 PolarHBondContact O-N 3.05Å; S84-N135 PolarHBondContact N-OD1 3.13Å; S84-N135 PolarHBondContact O-ND2 3.22Å; S84-R140 PolarHBondContact OG-NH1 3.48Å
85	Y	92.5	Very high	96.5	Very high	223 Å²	223	66.3 Å²	66.3	88%	0.875	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	13.6	174.9	-43.8	-70.9	0	0	0	116.9
86	V	93.2	Very high	96.5	Very high	12 Å²	12	58.5 Å²	58.5	7%	0.073	28%	0.279	C	S	.	.			trans	-102.7	122.2	171.3	-179	0	0	0	0	109.2	Q62 L66 N81 A83 S84 R98	Q62-V86 HydrophobicContact CB-CG1 4.46Å; Q62-V86 HydrophobicContact CB-CG2 4.02Å; Q62-V86 VanDerWaalsContact OE1-CG2 3.25Å; L66-V86 HydrophobicContact CD1-CG1 4.4Å; L66-V86 HydrophobicContact CD2-CG1 4.03Å; L66-V86 HydrophobicContact CG-CG1 4.22Å; N81-V86 PolarHBondContact ND2-O 2.88Å; A83-V86 HydrophobicContact CB-CB 3.73Å; A83-V86 HydrophobicContact CB-CG2 3.67Å; S84-V86 PolarHBondContact O-N 3.05Å; V86-R98 PolarHBondContact O-NH1 2.7Å; V86-R98 PolarHBondContact O-NH2 3.48Å
87	E	93.7	Very high	96.5	Very high	155 Å²	155	60.7 Å²	60.7	72%	0.724	29%	0.288	S	S	*	.			trans	-78	162.4	-179.4	-63.4	-175.4	162.2	0	0	113.4	R89	E87-R89 PolarHBondContact O-N 3.38Å
88	N	96.3	Very high	96.5	Very high	43 Å²	43	62.1 Å²	62.1	23%	0.23	29%	0.287	C	S	.	.			trans	-80.9	65.9	172.2	-66.1	-4.4	0	0	0	109.7	N81 F90 S91 Y96	N81-N88 PolarHBondContact ND2-OD1 3.05Å; N88-F90 PolarHBondContact O-N 3.24Å; N88-S91 PolarHBondContact O-N 2.89Å; N88-Y96 HydrophobicContact CB-CD1 3.54Å; N88-Y96 HydrophobicContact CB-CD2 4.05Å; N88-Y96 HydrophobicContact CB-CE1 3.69Å; N88-Y96 HydrophobicContact CB-CE2 4.19Å; N88-Y96 HydrophobicContact CB-CG 3.72Å; N88-Y96 VanDerWaalsContact ND2-CB 3.34Å; N88-Y96 WeakPolarHBondContact ND2-CB 3.43Å; N88-Y96 WeakPolarHBondContact OD1-CD1 3.25Å
89	R	93.8	Very high	96.4	Very high	155 Å²	155	61.1 Å²	61.1	59%	0.585	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-30.4	-164.3	-169.4	176.3	-173.6	-169.5	8.2	115.6	L66 E87	L66-R89 HydrophobicContact CD2-CB 4.44Å; L66-R89 PolarHBondContact O-NH1 3.28Å; E87-R89 PolarHBondContact O-N 3.38Å
90	F	96.1	Very high	96.2	Very high	25 Å²	25	66.4 Å²	66.4	11%	0.11	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	41.8	-173.8	-50.8	-64.1	0	0	0	111.6	L66 I68 L71 N88 H92 N93 F94 Y96	L66-F90 WeakPolarHBondContact O-CZ 3.45Å; I68-F90 HydrophobicContact CB-CD1 4.15Å; I68-F90 HydrophobicContact CB-CD2 4.37Å; I68-F90 HydrophobicContact CB-CE1 3.77Å; I68-F90 HydrophobicContact CB-CE2 4Å; I68-F90 HydrophobicContact CB-CG 4.44Å; I68-F90 HydrophobicContact CB-CZ 3.68Å; I68-F90 HydrophobicContact CD1-CD1 3.92Å; I68-F90 HydrophobicContact CD1-CE1 4.23Å; I68-F90 HydrophobicContact CD1-CG 4.35Å; I68-F90 HydrophobicContact CG1-CD1 4.36Å; I68-F90 HydrophobicContact CG1-CE1 4.45Å; I68-F90 HydrophobicContact CG2-CE1 4.35Å; I68-F90 HydrophobicContact CG2-CZ 4.37Å; L71-F90 HydrophobicContact CD1-CD2 3.61Å; L71-F90 HydrophobicContact CD1-CE2 3.96Å; N88-F90 PolarHBondContact O-N 3.24Å; F90-H92 PolarHBondContact O-N 3.27Å; F90-N93 HydrophobicContact CB-CB 4.32Å; F90-N93 PolarHBondContact O-N 3.42Å; F90-F94 HydrophobicContact CB-CD2 3.68Å; F90-F94 HydrophobicContact CB-CE2 3.58Å; F90-F94 HydrophobicContact CD2-CE2 4.23Å; F90-F94 HydrophobicContact CG-CE2 4.19Å; F90-F94 PolarHBondContact O-N 2.83Å; F90-Y96 PolarHBondContact N-OH 3.07Å
91	S	93.8	Very high	96.1	Very high	71 Å²	71	66.6 Å²	66.6	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.8	-176.3	56	0	0	0	0	115.6	N88	N88-S91 PolarHBondContact O-N 2.89Å
92	H	95.2	Very high	96	Very high	180 Å²	180	70 Å²	70	83%	0.833	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-12.7	175.1	-59.9	93.4	0	0	0	113.5	F90	F90-H92 PolarHBondContact O-N 3.27Å
93	N	96.8	Very high	96	Very high	95 Å²	95	72.6 Å²	72.6	51%	0.508	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-26	-174.5	-58.9	100.3	0	0	0	113.4	F90	F90-N93 HydrophobicContact CB-CB 4.32Å; F90-N93 PolarHBondContact O-N 3.42Å
94	F	98.1	Very high	96.1	Very high	13 Å²	13	76.5 Å²	76.5	6%	0.057	36%	0.364	C	S	.	.	S	Bend	trans	-136.7	150.9	-173.8	-45.6	-73.8	0	0	0	111.2	L71 L72 I76 T77 I79 F90 Y96	L71-F94 HydrophobicContact CB-CE1 4.2Å; L71-F94 HydrophobicContact CB-CE2 4.08Å; L71-F94 HydrophobicContact CB-CZ 3.56Å; L71-F94 HydrophobicContact CD1-CD2 4.23Å; L71-F94 HydrophobicContact CD1-CE2 3.56Å; L71-F94 HydrophobicContact CD1-CZ 3.97Å; L71-F94 HydrophobicContact CG-CE2 4.42Å; L71-F94 HydrophobicContact CG-CZ 4.37Å; L72-F94 HydrophobicContact CD2-CZ 4.44Å; I76-F94 HydrophobicContact CB-CD1 4.38Å; I76-F94 HydrophobicContact CB-CE1 4.26Å; I76-F94 HydrophobicContact CG2-CD1 4.24Å; I76-F94 WeakPolarHBondContact O-CD1 3.17Å; I76-F94 WeakPolarHBondContact O-CE1 3.41Å; T77-F94 WeakPolarHBondContact O-CA 3.48Å; I79-F94 HydrophobicContact CD1-CB 3.92Å; I79-F94 HydrophobicContact CD1-CD2 3.74Å; I79-F94 HydrophobicContact CD1-CE2 4.44Å; I79-F94 HydrophobicContact CD1-CG 3.81Å; I79-F94 HydrophobicContact CG1-CB 4.17Å; I79-F94 HydrophobicContact CG1-CG 4.43Å; F90-F94 HydrophobicContact CB-CD2 3.68Å; F90-F94 HydrophobicContact CB-CE2 3.58Å; F90-F94 HydrophobicContact CD2-CE2 4.23Å; F90-F94 HydrophobicContact CG-CE2 4.19Å; F90-F94 PolarHBondContact O-N 2.83Å; F94-Y96 HydrophobicContact CB-CD2 4.31Å; F94-Y96 HydrophobicContact CB-CE2 3.91Å; F94-Y96 HydrophobicContact CD2-CE2 4.27Å; F94-Y96 VanDerWaalsContact O-CD2 3.26Å; F94-Y96 WeakPolarHBondContact O-CD2 3.44Å; F94-Y96 PolarHBondContact O-N 3.43Å
95	I	98.4	Very high	96.3	Very high	102 Å²	102	79.1 Å²	79.1	52%	0.523	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.7	173.1	-62.6	170	0	0	0	108.3	T77 H78 I79 F119	T77-I95 PolarHBondContact O-N 3.36Å; H78-I95 CarbonylContact C-O 3.59Å; H78-I95 VanDerWaalsContact CA-O 3.25Å; H78-I95 WeakPolarHBondContact CA-O 3.41Å; I79-I95 PolarHBondContact N-O 2.86Å; I95-F119 HydrophobicContact CG2-CE2 4.15Å
96	Y	98.5	Very high	96.6	Very high	41 Å²	41	73.5 Å²	73.5	16%	0.161	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.3	-178.6	-76.7	-98.2	0	0	0	113	I79 N88 F90 F94	I79-Y96 HydrophobicContact CB-CD1 3.69Å; I79-Y96 HydrophobicContact CB-CE1 3.69Å; I79-Y96 HydrophobicContact CB-CG 4.33Å; I79-Y96 HydrophobicContact CD1-CE1 3.8Å; I79-Y96 HydrophobicContact CD1-CE2 4.32Å; I79-Y96 HydrophobicContact CG1-CE1 4.29Å; I79-Y96 HydrophobicContact CG2-CD1 3.83Å; I79-Y96 HydrophobicContact CG2-CE1 3.64Å; I79-Y96 CarbonylContact O-C 3.42Å; I79-Y96 WeakPolarHBondContact O-CA 3.28Å; N88-Y96 HydrophobicContact CB-CD1 3.54Å; N88-Y96 HydrophobicContact CB-CD2 4.05Å; N88-Y96 HydrophobicContact CB-CE1 3.69Å; N88-Y96 HydrophobicContact CB-CE2 4.19Å; N88-Y96 HydrophobicContact CB-CG 3.72Å; N88-Y96 VanDerWaalsContact ND2-CB 3.34Å; N88-Y96 WeakPolarHBondContact ND2-CB 3.43Å; N88-Y96 WeakPolarHBondContact OD1-CD1 3.25Å; F90-Y96 PolarHBondContact N-OH 3.07Å; F94-Y96 HydrophobicContact CB-CD2 4.31Å; F94-Y96 HydrophobicContact CB-CE2 3.91Å; F94-Y96 HydrophobicContact CD2-CE2 4.27Å; F94-Y96 VanDerWaalsContact O-CD2 3.26Å; F94-Y96 WeakPolarHBondContact O-CD2 3.44Å; F94-Y96 PolarHBondContact O-N 3.43Å
97	K	98.3	Very high	96.8	Very high	54 Å²	54	75.1 Å²	75.1	24%	0.235	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.8	156.8	-179.2	68.1	177.5	175.3	0	107.6	I79 L80 N81 E115 F119	I79-K97 PolarHBondContact O-N 3.17Å; L80-K97 CarbonylContact C-O 3.33Å; L80-K97 WeakPolarHBondContact CA-O 3.42Å; L80-K97 HydrophobicContact CD1-CB 3.9Å; L80-K97 HydrophobicContact CD1-CG 3.68Å; N81-K97 PolarHBondContact N-O 2.96Å; K97-E115 WeakPolarHBondContact CE-OE1 3.46Å; K97-E115 WeakPolarHBondContact CE-OE2 3.39Å; K97-E115 IonicContact NZ-OE1 2.69Å; K97-E115 PolarHBondContact NZ-OE1 3.05Å; K97-E115 IonicContact NZ-OE2 3.43Å; K97-E115 PolarHBondContact NZ-OE2 2.86Å; K97-F119 HydrophobicContact CB-CD1 3.75Å; K97-F119 HydrophobicContact CB-CD2 3.74Å; K97-F119 HydrophobicContact CB-CE1 3.71Å; K97-F119 HydrophobicContact CB-CE2 3.69Å; K97-F119 HydrophobicContact CB-CG 3.76Å; K97-F119 HydrophobicContact CB-CZ 3.67Å; K97-F119 HydrophobicContact CG-CB 4.48Å; K97-F119 HydrophobicContact CG-CD1 4.36Å; K97-F119 HydrophobicContact CG-CD2 4.39Å; K97-F119 HydrophobicContact CG-CG 4.16Å
98	R	97.8	Very high	97	Very high	85 Å²	85	71.7 Å²	71.7	32%	0.321	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.1	173.9	-170.5	-171.4	-171.7	82.1	11.4	109.6	N81 A83 V86 N100	N81-R98 PolarHBondContact ND2-NH1 2.81Å; N81-R98 WeakPolarHBondContact O-CA 3.24Å; A83-R98 PolarHBondContact O-NH2 2.85Å; V86-R98 PolarHBondContact O-NH1 2.7Å; V86-R98 PolarHBondContact O-NH2 3.48Å; R98-N100 PolarHBondContact NE-OD1 2.93Å
99	V	97.1	Very high	97.1	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.012	36%	0.356	C	S	.	.			trans	-126.2	131.2	166.9	-68.4	0	0	0	0	110	L80 N81 A82 V101 Y112 C116 F144	L80-V99 HydrophobicContact CD1-CG1 4.41Å; L80-V99 HydrophobicContact CD1-CG2 4.22Å; N81-V99 PolarHBondContact O-N 3.21Å; A82-V99 HydrophobicContact CB-CG2 3.62Å; V99-V101 HydrophobicContact CG2-CG2 4.18Å; V99-V101 PolarHBondContact O-N 3.33Å; V99-Y112 HydrophobicContact CB-CD1 3.99Å; V99-Y112 HydrophobicContact CB-CE1 4.35Å; V99-Y112 HydrophobicContact CB-CG 4.4Å; V99-Y112 HydrophobicContact CG1-CD1 3.59Å; V99-Y112 HydrophobicContact CG1-CE1 4.24Å; V99-Y112 HydrophobicContact CG1-CG 4.19Å; V99-C116 VanDerWaalsContact CG1-SG 3.55Å; V99-F144 HydrophobicContact CB-CZ 4.47Å; V99-F144 HydrophobicContact CG2-CE2 3.66Å; V99-F144 HydrophobicContact CG2-CZ 3.74Å
100	N	94.9	Very high	97.3	Very high	112 Å²	112	64.7 Å²	64.7	60%	0.599	34%	0.338	S	S	*	.			trans	-94.1	82.8	-177.7	-68.8	-29.3	0	0	0	108.8	R98	R98-N100 PolarHBondContact NE-OD1 2.93Å
101	V	96	Very high	97.4	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.018	36%	0.357	C	S	.	.			trans	-122.6	132.4	177.4	-70.7	0	0	0	0	111.6	A82 V99 E107 I109 Y112 R140 F144	A82-V101 HydrophobicContact CB-CG2 4.19Å; V99-V101 HydrophobicContact CG2-CG2 4.18Å; V99-V101 PolarHBondContact O-N 3.33Å; V101-E107 VanDerWaalsContact CA-OE1 3.28Å; V101-E107 WeakPolarHBondContact CA-OE1 3.26Å; V101-E107 HydrophobicContact CB-CG 4.28Å; V101-E107 HydrophobicContact CG1-CG 4.44Å; V101-I109 HydrophobicContact CG1-CG1 4.41Å; V101-Y112 HydrophobicContact CG1-CD2 3.55Å; V101-Y112 HydrophobicContact CG1-CE2 3.49Å; V101-Y112 VanDerWaalsContact CG1-CE2 3.49Å; V101-Y112 HydrophobicContact CG1-CG 4.38Å; V101-R140 HydrophobicContact CG2-CG 4.19Å; V101-R140 WeakPolarHBondContact O-CD 3.39Å; V101-R140 PolarHBondContact O-NH1 3.44Å; V101-F144 HydrophobicContact CG2-CE2 3.99Å; V101-F144 HydrophobicContact CG2-CZ 4.25Å
102	I	97.1	Very high	97.7	Very high	71 Å²	71	67 Å²	67	36%	0.364	35%	0.347	S	S	.	.			trans	-93.1	156.3	173	60.8	171.1	0	0	0	111.6	L104 E107 F177	I102-L104 VanDerWaalsContact C-N 3.26Å; I102-L104 HydrophobicContact CD1-CD1 3.58Å; I102-L104 HydrophobicContact CD1-CG 3.99Å; I102-L104 HydrophobicContact CG1-CD1 4.38Å; I102-L104 HydrophobicContact CG1-CG 4.28Å; I102-L104 PolarHBondContact O-N 3.03Å; I102-E107 HydrophobicContact CG1-CB 4.31Å; I102-E107 VanDerWaalsContact CG1-CD 3.45Å; I102-E107 HydrophobicContact CG1-CG 4.17Å; I102-E107 WeakPolarHBondContact CG1-OE1 3.23Å; I102-E107 WeakPolarHBondContact CG1-OE2 3.46Å; I102-E107 PolarHBondContact N-OE1 3.13Å; I102-E107 WeakPolarHBondContact O-CG 3.48Å; I102-F177 WeakPolarHBondContact O-CZ 3.28Å
103	D	98.1	Very high	97.8	Very high	56 Å²	56	58.4 Å²	58.4	30%	0.299	31%	0.307	S	S	.	.	S	Bend	trans	-87.4	53.2	-171.7	-141.3	-33.9	0	0	0	113.5	S139 R140 N174	D103-S139 WeakPolarHBondContact OD1-CB 3.48Å; D103-S139 PolarHBondContact OD1-OG 2.98Å; D103-S139 WeakPolarHBondContact OD2-CB 3.5Å; D103-R140 HydrophobicContact CB-CG 4.43Å; D103-R140 IonicContact OD2-CZ 3.14Å; D103-R140 IonicContact OD2-NE 2.68Å; D103-R140 PolarHBondContact OD2-NE 3.19Å; D103-R140 VanDerWaalsContact OD2-NE 3.16Å; D103-R140 IonicContact OD2-NH2 3.9Å; D103-N174 PolarHBondContact OD1-ND2 3.03Å
104	L	98.2	Very high	97.9	Very high	84 Å²	84	57.4 Å²	57.4	44%	0.44	30%	0.299	S	S	.	.			trans	-112.1	145.3	179.5	-63.4	-175	0	0	0	111.5	I102 S106 E107 F177	I102-L104 VanDerWaalsContact C-N 3.26Å; I102-L104 HydrophobicContact CD1-CD1 3.58Å; I102-L104 HydrophobicContact CD1-CG 3.99Å; I102-L104 HydrophobicContact CG1-CD1 4.38Å; I102-L104 HydrophobicContact CG1-CG 4.28Å; I102-L104 PolarHBondContact O-N 3.03Å; L104-S106 PolarHBondContact O-N 2.69Å; L104-S106 VanDerWaalsContact O-N 3.13Å; L104-E107 WeakPolarHBondContact O-CB 3.18Å; L104-E107 PolarHBondContact O-N 2.88Å; L104-E107 VanDerWaalsContact O-N 3.07Å; L104-F177 WeakPolarHBondContact O-CE1 3.4Å
105	P	98.1	Very high	97.9	Very high	79 Å²	79	59.8 Å²	59.8	51%	0.513	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.8	173.6	-25.1	35	0	0	0	115.2	N174 G176	P105-N174 WeakPolarHBondContact CA-OD1 3.37Å; P105-N174 HydrophobicContact CG-CB 4.31Å; P105-G176 WeakPolarHBondContact O-CA 3.33Å
106	S	98.2	Very high	97.9	Very high	105 Å²	105	54.9 Å²	54.9	73%	0.734	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.6	177.4	56.1	0	0	0	0	114.2	L104	L104-S106 PolarHBondContact O-N 2.69Å; L104-S106 VanDerWaalsContact O-N 3.13Å
107	E	98.4	Very high	97.9	Very high	47 Å²	47	53 Å²	53	22%	0.22	28%	0.278	C	S	.	.	S	Bend	trans	-73.9	132.6	-179.6	-177.1	81.7	146.8	0	0	110.3	V101 I102 L104 I109 F177 Q180	V101-E107 VanDerWaalsContact CA-OE1 3.28Å; V101-E107 WeakPolarHBondContact CA-OE1 3.26Å; V101-E107 HydrophobicContact CB-CG 4.28Å; V101-E107 HydrophobicContact CG1-CG 4.44Å; I102-E107 HydrophobicContact CG1-CB 4.31Å; I102-E107 VanDerWaalsContact CG1-CD 3.45Å; I102-E107 HydrophobicContact CG1-CG 4.17Å; I102-E107 WeakPolarHBondContact CG1-OE1 3.23Å; I102-E107 WeakPolarHBondContact CG1-OE2 3.46Å; I102-E107 PolarHBondContact N-OE1 3.13Å; I102-E107 WeakPolarHBondContact O-CG 3.48Å; L104-E107 WeakPolarHBondContact O-CB 3.18Å; L104-E107 PolarHBondContact O-N 2.88Å; L104-E107 VanDerWaalsContact O-N 3.07Å; E107-I109 PolarHBondContact O-N 2.96Å; E107-I109 VanDerWaalsContact O-N 3.11Å; E107-F177 HydrophobicContact CB-CE1 3.98Å; E107-F177 HydrophobicContact CB-CZ 4.27Å; E107-Q180 PolarHBondContact O-NE2 3.46Å; E107-Q180 PolarHBondContact O-OE1 3.44Å
108	D	98.2	Very high	97.9	Very high	82 Å²	82	55.1 Å²	55.1	44%	0.439	29%	0.285	S	S	.	.			trans	-76.7	94.7	170.6	175.6	26.4	0	0	0	110.1	K110 S111	D108-K110 PolarHBondContact OD1-N 3.07Å; D108-K110 VanDerWaalsContact OD1-N 3.11Å; D108-S111 PolarHBondContact OD1-N 3.02Å; D108-S111 VanDerWaalsContact OD1-N 3.09Å; D108-S111 PolarHBondContact OD1-OG 3.37Å; D108-S111 WeakPolarHBondContact OD2-CB 3.49Å; D108-S111 PolarHBondContact OD2-OG 3.14Å
109	I	98.6	Very high	97.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.			trans	-88.5	-20.5	170.6	-162.5	165.9	0	0	0	111.3	V101 E107 Y112 F113 R140 F144 F177 Q180	V101-I109 HydrophobicContact CG1-CG1 4.41Å; E107-I109 PolarHBondContact O-N 2.96Å; E107-I109 VanDerWaalsContact O-N 3.11Å; I109-Y112 PolarHBondContact O-N 2.88Å; I109-F113 HydrophobicContact CB-CE1 4.4Å; I109-F113 HydrophobicContact CD1-CE1 4.47Å; I109-F113 HydrophobicContact CG1-CE1 3.92Å; I109-F113 HydrophobicContact CG2-CE1 3.9Å; I109-F113 HydrophobicContact CG2-CZ 3.75Å; I109-F113 WeakPolarHBondContact O-CD1 3.41Å; I109-R140 HydrophobicContact CD1-CB 4.4Å; I109-R140 HydrophobicContact CD1-CG 4.32Å; I109-F144 HydrophobicContact CD1-CD2 4.44Å; I109-F144 HydrophobicContact CD1-CE2 3.86Å; I109-F144 HydrophobicContact CD1-CZ 3.93Å; I109-F144 HydrophobicContact CG1-CE1 4.02Å; I109-F144 HydrophobicContact CG1-CE2 4.03Å; I109-F144 HydrophobicContact CG1-CZ 3.56Å; I109-F177 HydrophobicContact CB-CD1 3.92Å; I109-F177 HydrophobicContact CB-CE1 3.72Å; I109-F177 HydrophobicContact CB-CZ 4.2Å; I109-F177 HydrophobicContact CD1-CD1 4.43Å; I109-F177 HydrophobicContact CD1-CD2 3.98Å; I109-F177 HydrophobicContact CD1-CE1 4.25Å; I109-F177 HydrophobicContact CD1-CE2 3.82Å; I109-F177 HydrophobicContact CD1-CG 4.3Å; I109-F177 HydrophobicContact CD1-CZ 3.94Å; I109-F177 HydrophobicContact CG2-CB 4.25Å; I109-F177 HydrophobicContact CG2-CD1 3.31Å; I109-F177 HydrophobicContact CG2-CE1 3.68Å; I109-F177 HydrophobicContact CG2-CG 3.79Å; I109-F177 HydrophobicContact CG2-CZ 4.44Å; I109-Q180 HydrophobicContact CG2-CB 4.36Å
110	K	98.4	Very high	98	Very high	51 Å²	51	52.4 Å²	52.4	22%	0.222	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66.1	-41	-173	-161.7	179.9	66.1	163.9	0	112.1	D108 Y112 F113 Q180 D183 E187	D108-K110 PolarHBondContact OD1-N 3.07Å; D108-K110 VanDerWaalsContact OD1-N 3.11Å; K110-Y112 PolarHBondContact O-N 2.98Å; K110-Y112 VanDerWaalsContact O-N 3.1Å; K110-F113 HydrophobicContact CB-CD2 4.25Å; K110-F113 HydrophobicContact CB-CE2 4.21Å; K110-F113 HydrophobicContact CG-CD2 3.72Å; K110-F113 HydrophobicContact CG-CE2 3.91Å; K110-F113 WeakPolarHBondContact O-CB 3.5Å; K110-F113 PolarHBondContact O-N 3.44Å; K110-Q180 HydrophobicContact CB-CB 4.12Å; K110-Q180 HydrophobicContact CB-CG 4.29Å; K110-D183 HydrophobicContact CD-CB 4.24Å; K110-E187 IonicContact NZ-OE1 3.86Å; K110-E187 PolarHBondContact NZ-OE1 3.29Å; K110-E187 IonicContact NZ-OE2 2.7Å; K110-E187 PolarHBondContact NZ-OE2 3.41Å; K110-E187 VanDerWaalsContact NZ-OE2 3.14Å
111	S	97.9	Very high	98.2	Very high	72 Å²	72	49.7 Å²	49.7	50%	0.503	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.4	-25.2	177.7	53.4	0	0	0	0	113.8	D108	D108-S111 PolarHBondContact OD1-N 3.02Å; D108-S111 VanDerWaalsContact OD1-N 3.09Å; D108-S111 PolarHBondContact OD1-OG 3.37Å; D108-S111 WeakPolarHBondContact OD2-CB 3.49Å; D108-S111 PolarHBondContact OD2-OG 3.14Å
112	Y	98.5	Very high	98.3	Very high	73 Å²	73	55.1 Å²	55.1	29%	0.286	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-86	-15.3	175.7	-63	-81.3	0	0	0	114.3	V99 V101 I109 K110 E114 E115 C116	V99-Y112 HydrophobicContact CB-CD1 3.99Å; V99-Y112 HydrophobicContact CB-CE1 4.35Å; V99-Y112 HydrophobicContact CB-CG 4.4Å; V99-Y112 HydrophobicContact CG1-CD1 3.59Å; V99-Y112 HydrophobicContact CG1-CE1 4.24Å; V99-Y112 HydrophobicContact CG1-CG 4.19Å; V101-Y112 HydrophobicContact CG1-CD2 3.55Å; V101-Y112 HydrophobicContact CG1-CE2 3.49Å; V101-Y112 VanDerWaalsContact CG1-CE2 3.49Å; V101-Y112 HydrophobicContact CG1-CG 4.38Å; I109-Y112 PolarHBondContact O-N 2.88Å; K110-Y112 PolarHBondContact O-N 2.98Å; K110-Y112 VanDerWaalsContact O-N 3.1Å; Y112-E114 VanDerWaalsContact C-N 3.35Å; Y112-E114 PolarHBondContact O-N 2.77Å; Y112-E115 WeakPolarHBondContact O-CG 3.49Å; Y112-E115 PolarHBondContact O-N 3.04Å; Y112-C116 VanDerWaalsContact O-CB 3.28Å; Y112-C116 WeakPolarHBondContact O-CB 3.28Å; Y112-C116 PolarHBondContact O-N 3.01Å; Y112-C116 PolarHBondContact O-SG 3.41Å; Y112-C116 VanDerWaalsContact O-SG 3.35Å
113	F	98.5	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-44.3	-173.7	-71.4	-18.3	0	0	0	112.4	I109 K110 E115 C116 C117 F144 A147 L181 Y184	I109-F113 HydrophobicContact CB-CE1 4.4Å; I109-F113 HydrophobicContact CD1-CE1 4.47Å; I109-F113 HydrophobicContact CG1-CE1 3.92Å; I109-F113 HydrophobicContact CG2-CE1 3.9Å; I109-F113 HydrophobicContact CG2-CZ 3.75Å; I109-F113 WeakPolarHBondContact O-CD1 3.41Å; K110-F113 HydrophobicContact CB-CD2 4.25Å; K110-F113 HydrophobicContact CB-CE2 4.21Å; K110-F113 HydrophobicContact CG-CD2 3.72Å; K110-F113 HydrophobicContact CG-CE2 3.91Å; K110-F113 WeakPolarHBondContact O-CB 3.5Å; K110-F113 PolarHBondContact O-N 3.44Å; F113-E115 PolarHBondContact O-N 3.39Å; F113-C116 PolarHBondContact O-N 3.47Å; F113-C117 VanDerWaalsContact O-CB 3.23Å; F113-C117 WeakPolarHBondContact O-CB 2.86Å; F113-C117 PolarHBondContact O-N 3.2Å; F113-C117 PolarHBondContact O-SG 3.19Å; F113-F144 AromaticContact CD1-CD1 3.87Å; F113-F144 HydrophobicContact CD1-CD1 3.87Å; F113-F144 AromaticContact CD1-CE1 3.89Å; F113-F144 HydrophobicContact CD1-CE1 3.89Å; F113-F144 HydrophobicContact CE1-CD1 4.31Å; F113-F144 HydrophobicContact CE1-CE1 4.34Å; F113-A147 HydrophobicContact CB-CB 4.1Å; F113-A147 HydrophobicContact CD1-CB 3.75Å; F113-A147 HydrophobicContact CD2-CB 3.98Å; F113-A147 HydrophobicContact CE1-CB 4.1Å; F113-A147 HydrophobicContact CE2-CB 4.33Å; F113-A147 HydrophobicContact CG-CB 3.69Å; F113-A147 HydrophobicContact CZ-CB 4.39Å; F113-L181 HydrophobicContact CE1-CD2 4.27Å; F113-L181 HydrophobicContact CE2-CD2 3.75Å; F113-L181 HydrophobicContact CE2-CG 4.14Å; F113-L181 HydrophobicContact CZ-CD2 3.54Å; F113-L181 HydrophobicContact CZ-CG 3.82Å; F113-Y184 HydrophobicContact CB-CD1 4.49Å; F113-Y184 HydrophobicContact CB-CD2 4.33Å; F113-Y184 HydrophobicContact CB-CE1 4.15Å; F113-Y184 HydrophobicContact CB-CE2 3.96Å; F113-Y184 AromaticContact CD2-CD1 3.77Å; F113-Y184 HydrophobicContact CD2-CD1 3.77Å; F113-Y184 AromaticContact CD2-CD2 3.97Å; F113-Y184 HydrophobicContact CD2-CD2 3.97Å; F113-Y184 HydrophobicContact CD2-CE1 4.24Å; F113-Y184 HydrophobicContact CD2-CE2 4.43Å; F113-Y184 AromaticContact CD2-CG 3.6Å; F113-Y184 HydrophobicContact CD2-CG 3.6Å; F113-Y184 HydrophobicContact CE2-CD1 4.43Å; F113-Y184 HydrophobicContact CE2-CG 4.28Å; F113-Y184 HydrophobicContact CG-CD1 4.49Å
114	E	97.8	Very high	98.4	Very high	73 Å²	73	51.3 Å²	51.3	34%	0.341	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-47.1	-176.1	177.3	48.8	-139	0	0	112.5	Y112 R118 K151	Y112-E114 VanDerWaalsContact C-N 3.35Å; Y112-E114 PolarHBondContact O-N 2.77Å; E114-R118 WeakPolarHBondContact O-CB 3.44Å; E114-R118 PolarHBondContact O-N 3.18Å; E114-R118 IonicContact OE1-CZ 3.94Å; E114-R118 IonicContact OE1-NE 3.82Å; E114-R118 IonicContact OE1-NH2 3.16Å; E114-R118 PolarHBondContact OE1-NH2 3.37Å; E114-K151 IonicContact OE1-NZ 3.22Å; E114-K151 PolarHBondContact OE1-NZ 3.12Å; E114-K151 IonicContact OE2-NZ 3.92Å; E114-K151 PolarHBondContact OE2-NZ 3.48Å
115	E	98.2	Very high	98.4	Very high	63 Å²	63	57.2 Å²	57.2	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-72.2	-37	178	60.6	157	-138.2	0	0	113.4	K97 Y112 F113 R118 F119	K97-E115 WeakPolarHBondContact CE-OE1 3.46Å; K97-E115 WeakPolarHBondContact CE-OE2 3.39Å; K97-E115 IonicContact NZ-OE1 2.69Å; K97-E115 PolarHBondContact NZ-OE1 3.05Å; K97-E115 IonicContact NZ-OE2 3.43Å; K97-E115 PolarHBondContact NZ-OE2 2.86Å; Y112-E115 WeakPolarHBondContact O-CG 3.49Å; Y112-E115 PolarHBondContact O-N 3.04Å; F113-E115 PolarHBondContact O-N 3.39Å; E115-R118 PolarHBondContact O-N 3.02Å; E115-F119 WeakPolarHBondContact O-CB 3.46Å; E115-F119 PolarHBondContact O-N 3.45Å
116	C	98.7	Very high	98.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68	-43.4	178.1	-75.6	0	0	0	0	111.7	L80 V99 Y112 F113 R118 F119 I120 F144	L80-C116 HydrophobicContact CD2-CB 3.8Å; V99-C116 VanDerWaalsContact CG1-SG 3.55Å; Y112-C116 VanDerWaalsContact O-CB 3.28Å; Y112-C116 WeakPolarHBondContact O-CB 3.28Å; Y112-C116 PolarHBondContact O-N 3.01Å; Y112-C116 PolarHBondContact O-SG 3.41Å; Y112-C116 VanDerWaalsContact O-SG 3.35Å; F113-C116 PolarHBondContact O-N 3.47Å; C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact O-N 3.39Å; C116-F119 PolarHBondContact O-N 3.41Å; C116-I120 WeakPolarHBondContact O-CD1 3.27Å; C116-I120 VanDerWaalsContact O-CG1 3.27Å; C116-I120 WeakPolarHBondContact O-CG1 3.47Å; C116-I120 PolarHBondContact O-N 2.84Å; C116-F144 HydrophobicContact CB-CD1 3.52Å; C116-F144 HydrophobicContact CB-CE1 3.9Å; C116-F144 HydrophobicContact CB-CG 4.31Å; C116-F144 VanDerWaalsContact SG-CE1 3.55Å
117	C	98.6	Very high	98.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-38.9	177.1	-65.6	0	0	0	0	110.9	F113 I120 H121 Y148 K151 Y152	F113-C117 VanDerWaalsContact O-CB 3.23Å; F113-C117 WeakPolarHBondContact O-CB 2.86Å; F113-C117 PolarHBondContact O-N 3.2Å; F113-C117 PolarHBondContact O-SG 3.19Å; C117-I120 PolarHBondContact O-N 2.81Å; C117-H121 WeakPolarHBondContact O-CB 3.2Å; C117-H121 PolarHBondContact O-N 2.91Å; C117-Y148 HydrophobicContact CB-CD2 4.31Å; C117-Y148 VanDerWaalsContact SG-CA 3.59Å; C117-Y148 PolarHBondContact SG-N 2.91Å; C117-Y148 VanDerWaalsContact SG-N 3.38Å; C117-K151 HydrophobicContact CB-CD 4.21Å; C117-Y152 HydrophobicContact CB-CD2 4.28Å; C117-Y152 HydrophobicContact CB-CE2 3.87Å; C117-Y152 WeakPolarHBondContact O-CE2 3.09Å
118	R	98.5	Very high	98.4	Very high	100 Å²	100	53.5 Å²	53.5	38%	0.377	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-48.5	174.9	-169.8	-175	-48.3	122.8	11.2	112	E114 E115 C116 I120 H121 E122	E114-R118 WeakPolarHBondContact O-CB 3.44Å; E114-R118 PolarHBondContact O-N 3.18Å; E114-R118 IonicContact OE1-CZ 3.94Å; E114-R118 IonicContact OE1-NE 3.82Å; E114-R118 IonicContact OE1-NH2 3.16Å; E114-R118 PolarHBondContact OE1-NH2 3.37Å; E115-R118 PolarHBondContact O-N 3.02Å; C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact O-N 3.39Å; R118-I120 VanDerWaalsContact C-N 3.33Å; R118-I120 PolarHBondContact O-N 3.31Å; R118-H121 PolarHBondContact O-N 3.12Å; R118-E122 VanDerWaalsContact CD-OE1 3.31Å; R118-E122 WeakPolarHBondContact CD-OE1 3.34Å; R118-E122 HydrophobicContact CG-CG 4.22Å; R118-E122 WeakPolarHBondContact CG-OE1 3.47Å; R118-E122 WeakPolarHBondContact O-CG 3.37Å; R118-E122 PolarHBondContact O-N 3.09Å
119	F	98.8	Very high	98.4	Very high	29 Å²	29	51.4 Å²	51.4	13%	0.127	26%	0.255	C	S	.	.	H	α-helix	trans	-54.5	-47.1	175.8	173.1	-100.9	0	0	0	112	H78 L80 I95 K97 E115 C116 H121 A123 V130	H78-F119 HydrophobicContact CB-CE1 4.29Å; H78-F119 HydrophobicContact CB-CZ 3.88Å; H78-F119 AromaticContact CD2-CE2 3.99Å; L80-F119 HydrophobicContact CB-CD1 4.15Å; L80-F119 HydrophobicContact CB-CE1 3.95Å; I95-F119 HydrophobicContact CG2-CE2 4.15Å; K97-F119 HydrophobicContact CB-CD1 3.75Å; K97-F119 HydrophobicContact CB-CD2 3.74Å; K97-F119 HydrophobicContact CB-CE1 3.71Å; K97-F119 HydrophobicContact CB-CE2 3.69Å; K97-F119 HydrophobicContact CB-CG 3.76Å; K97-F119 HydrophobicContact CB-CZ 3.67Å; K97-F119 HydrophobicContact CG-CB 4.48Å; K97-F119 HydrophobicContact CG-CD1 4.36Å; K97-F119 HydrophobicContact CG-CD2 4.39Å; K97-F119 HydrophobicContact CG-CG 4.16Å; E115-F119 WeakPolarHBondContact O-CB 3.46Å; E115-F119 PolarHBondContact O-N 3.45Å; C116-F119 PolarHBondContact O-N 3.41Å; F119-H121 PolarHBondContact O-N 3.43Å; F119-A123 WeakPolarHBondContact O-CB 3.19Å; F119-A123 PolarHBondContact O-N 2.87Å; F119-A123 VanDerWaalsContact O-N 3.14Å; F119-V130 HydrophobicContact CE1-CG1 4.3Å
120	I	98.8	Very high	98.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-42	176.1	-62	160.9	0	0	0	110.8	L57 L80 C116 C117 R118 R124 V130 V132 Y148	L57-I120 HydrophobicContact CD1-CG2 3.7Å; L57-I120 HydrophobicContact CD2-CG2 4.24Å; L80-I120 HydrophobicContact CD2-CD1 4Å; L80-I120 HydrophobicContact CD2-CG1 4.31Å; C116-I120 WeakPolarHBondContact O-CD1 3.27Å; C116-I120 VanDerWaalsContact O-CG1 3.27Å; C116-I120 WeakPolarHBondContact O-CG1 3.47Å; C116-I120 PolarHBondContact O-N 2.84Å; C117-I120 PolarHBondContact O-N 2.81Å; R118-I120 VanDerWaalsContact C-N 3.33Å; R118-I120 PolarHBondContact O-N 3.31Å; I120-R124 HydrophobicContact CG2-CG 4.44Å; I120-R124 WeakPolarHBondContact O-CB 3.4Å; I120-R124 WeakPolarHBondContact O-CG 3.26Å; I120-R124 PolarHBondContact O-N 3.27Å; I120-V130 HydrophobicContact CG1-CG1 4.24Å; I120-V132 HydrophobicContact CD1-CG2 3.9Å; I120-V132 HydrophobicContact CG1-CG2 4.17Å; I120-Y148 HydrophobicContact CB-CD2 3.65Å; I120-Y148 HydrophobicContact CB-CE2 3.81Å; I120-Y148 HydrophobicContact CB-CG 4.35Å; I120-Y148 HydrophobicContact CD1-CD2 4.26Å; I120-Y148 HydrophobicContact CD1-CG 4.33Å; I120-Y148 HydrophobicContact CG2-CD1 4.24Å; I120-Y148 HydrophobicContact CG2-CD2 3.54Å; I120-Y148 HydrophobicContact CG2-CE1 4.21Å; I120-Y148 HydrophobicContact CG2-CE2 3.48Å; I120-Y148 VanDerWaalsContact CG2-CE2 3.48Å; I120-Y148 HydrophobicContact CG2-CG 3.92Å
121	H	98.5	Very high	98.4	Very high	56 Å²	56	49 Å²	49	26%	0.259	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-50.1	-177.8	-169.8	82.2	0	0	0	112.6	C117 R118 F119 R124 R125 Y148 Y152	C117-H121 WeakPolarHBondContact O-CB 3.2Å; C117-H121 PolarHBondContact O-N 2.91Å; R118-H121 PolarHBondContact O-N 3.12Å; F119-H121 PolarHBondContact O-N 3.43Å; H121-R124 PolarHBondContact O-N 2.86Å; H121-R125 WeakPolarHBondContact O-CB 3.37Å; H121-R125 PolarHBondContact O-N 3.13Å; H121-Y148 HydrophobicContact CB-CE2 3.91Å; H121-Y152 HydrophobicContact CB-CD1 4.45Å; H121-Y152 HydrophobicContact CB-CD2 4.07Å; H121-Y152 HydrophobicContact CB-CE1 4.11Å; H121-Y152 HydrophobicContact CB-CE2 3.69Å; H121-Y152 HydrophobicContact CB-CG 4.42Å; H121-Y152 AromaticContact CD2-CE1 3.94Å; H121-Y152 AromaticContact CE1-CD1 3.48Å; H121-Y152 VanDerWaalsContact CE1-CD1 3.48Å; H121-Y152 WeakPolarHBondContact CE1-CD1 3.49Å; H121-Y152 AromaticContact CE1-CE1 3.71Å; H121-Y152 AromaticContact CG-CD1 3.78Å; H121-Y152 AromaticContact CG-CE1 3.54Å; H121-Y152 AromaticContact CG-CZ 3.68Å; H121-Y152 AromaticContact ND1-CD1 3.12Å; H121-Y152 WeakPolarHBondContact ND1-CD1 3.22Å; H121-Y152 AromaticContact ND1-CD2 3.97Å; H121-Y152 AromaticContact ND1-CE1 3.39Å; H121-Y152 WeakPolarHBondContact ND1-CE1 3.31Å; H121-Y152 AromaticContact ND1-CG 3.43Å; H121-Y152 AromaticContact ND1-CZ 3.91Å
122	E	98.6	Very high	98.4	Very high	116 Å²	116	45.6 Å²	45.6	54%	0.542	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-40.8	-179.2	-70.4	171.1	176.9	0	0	111.6	R118 R125 S126	R118-E122 VanDerWaalsContact CD-OE1 3.31Å; R118-E122 WeakPolarHBondContact CD-OE1 3.34Å; R118-E122 HydrophobicContact CG-CG 4.22Å; R118-E122 WeakPolarHBondContact CG-OE1 3.47Å; R118-E122 WeakPolarHBondContact O-CG 3.37Å; R118-E122 PolarHBondContact O-N 3.09Å; E122-R125 PolarHBondContact O-N 3.15Å; E122-S126 WeakPolarHBondContact O-CB 3.33Å; E122-S126 PolarHBondContact O-N 3.4Å; E122-S126 PolarHBondContact O-OG 3.2Å
123	A	98.6	Very high	98.4	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-47.8	174.7	0	0	0	0	0	112.1	H78 F119 S126 G128 V130	H78-A123 HydrophobicContact CB-CB 3.94Å; H78-A123 VanDerWaalsContact CD2-CB 3.44Å; H78-A123 WeakPolarHBondContact CD2-CB 3.09Å; H78-A123 VanDerWaalsContact CG-CB 3.45Å; F119-A123 WeakPolarHBondContact O-CB 3.19Å; F119-A123 PolarHBondContact O-N 2.87Å; F119-A123 VanDerWaalsContact O-N 3.14Å; A123-S126 PolarHBondContact O-N 3.01Å; A123-S126 PolarHBondContact O-OG 3.23Å; A123-G128 VanDerWaalsContact O-CA 3.26Å; A123-G128 WeakPolarHBondContact O-CA 3.39Å; A123-G128 PolarHBondContact O-N 3.23Å; A123-V130 HydrophobicContact CB-CG2 3.48Å; A123-V130 VanDerWaalsContact CB-CG2 3.48Å
124	R	98.3	Very high	98.4	Very high	46 Å²	46	42.1 Å²	42.1	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-41.4	176.5	-72	179.4	77.4	-140.3	1.1	112.3	P55 N56 I120 H121 S126 G127 V130 Y148 E153	P55-R124 PolarHBondContact O-NE 3.23Å; P55-R124 VanDerWaalsContact O-NE 3.12Å; P55-R124 PolarHBondContact O-NH2 2.87Å; N56-R124 HydrophobicContact CB-CG 4.45Å; I120-R124 HydrophobicContact CG2-CG 4.44Å; I120-R124 WeakPolarHBondContact O-CB 3.4Å; I120-R124 WeakPolarHBondContact O-CG 3.26Å; I120-R124 PolarHBondContact O-N 3.27Å; H121-R124 PolarHBondContact O-N 2.86Å; R124-S126 VanDerWaalsContact C-N 3.3Å; R124-S126 PolarHBondContact O-N 3.45Å; R124-G127 PolarHBondContact O-N 2.8Å; R124-V130 HydrophobicContact CG-CG2 3.92Å; R124-Y148 VanDerWaalsContact NH1-CE1 3.35Å; R124-Y148 PolarHBondContact NH1-OH 3.29Å; R124-E153 IonicContact CZ-OE1 3.42Å; R124-E153 IonicContact NH1-OE1 2.85Å; R124-E153 PolarHBondContact NH1-OE1 3.28Å; R124-E153 IonicContact NH2-OE1 2.76Å
125	R	97.8	Very high	98.3	Very high	208 Å²	208	40.4 Å²	40.4	79%	0.785	20%	0.2	S	C	*	.	H	α-helix	trans	-65	-31.1	-179.9	179.1	-179.9	160.6	106.1	2.6	112.6	H121 E122 G127	H121-R125 WeakPolarHBondContact O-CB 3.37Å; H121-R125 PolarHBondContact O-N 3.13Å; E122-R125 PolarHBondContact O-N 3.15Å; R125-G127 PolarHBondContact O-N 2.99Å
126	S	97.8	Very high	98.2	Very high	90 Å²	90	39.3 Å²	39.3	63%	0.629	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	5.8	173.4	56	0	0	0	0	114	E122 A123 R124 G128	E122-S126 WeakPolarHBondContact O-CB 3.33Å; E122-S126 PolarHBondContact O-N 3.4Å; E122-S126 PolarHBondContact O-OG 3.2Å; A123-S126 PolarHBondContact O-N 3.01Å; A123-S126 PolarHBondContact O-OG 3.23Å; R124-S126 VanDerWaalsContact C-N 3.3Å; R124-S126 PolarHBondContact O-N 3.45Å; S126-G128 VanDerWaalsContact C-N 3.32Å
127	G	97.8	Very high	98.1	Very high	56 Å²	56	39.3 Å²	39.3	58%	0.577	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	3.6	-178.6	0	0	0	0	0	114.3	R124 R125	R124-G127 PolarHBondContact O-N 2.8Å; R125-G127 PolarHBondContact O-N 2.99Å
128	G	98.4	Very high	98.1	Very high	7 Å²	7	40.1 Å²	40.1	7%	0.072	21%	0.206	C	C	.	.			trans	-72.4	146.7	175.7	0	0	0	0	0	113.2	T77 A123 S126	T77-G128 WeakPolarHBondContact OG1-CA 3.46Å; A123-G128 VanDerWaalsContact O-CA 3.26Å; A123-G128 WeakPolarHBondContact O-CA 3.39Å; A123-G128 PolarHBondContact O-N 3.23Å; S126-G128 VanDerWaalsContact C-N 3.32Å
129	R	98.5	Very high	98.1	Very high	38 Å²	38	35.5 Å²	35.5	14%	0.143	19%	0.19	C	C	.	.			trans	-97.8	122.7	172.9	-163.4	145.6	-167.9	-86.6	8	110.4	E52 N56 L58 Y74 R75 I76 T77 H78	E52-R129 IonicContact OE1-CZ 3.69Å; E52-R129 IonicContact OE1-NE 3.04Å; E52-R129 PolarHBondContact OE1-NE 3.14Å; E52-R129 IonicContact OE1-NH2 3.81Å; E52-R129 PolarHBondContact OE1-NH2 3.04Å; E52-R129 IonicContact OE2-CZ 2.71Å; E52-R129 IonicContact OE2-NH2 2.78Å; E52-R129 PolarHBondContact OE2-NH2 2.85Å; N56-R129 HydrophobicContact CB-CB 4.45Å; N56-R129 HydrophobicContact CB-CG 4.38Å; L58-R129 HydrophobicContact CD1-CG 3.52Å; L58-R129 VanDerWaalsContact CD1-NH1 3.35Å; Y74-R129 WeakPolarHBondContact O-CD 3.28Å; Y74-R129 PolarHBondContact O-NH1 2.94Å; R75-R129 WeakPolarHBondContact O-CB 3.26Å; I76-R129 HydrophobicContact CD1-CG 4.18Å; T77-R129 PolarHBondContact N-O 3.1Å; T77-R129 PolarHBondContact OG1-N 3.14Å; T77-R129 PolarHBondContact OG1-O 3.49Å; T77-R129 VanDerWaalsContact OG1-O 3.12Å; H78-R129 PolarHBondContact N-O 3.14Å
130	V	98.9	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.5	-170	-167.2	0	0	0	0	110.8	N56 L57 L58 H78 F119 I120 A123 R124 V132	N56-V130 PolarHBondContact O-N 2.85Å; L57-V130 HydrophobicContact CD1-CB 4.26Å; L58-V130 PolarHBondContact N-O 3.31Å; H78-V130 HydrophobicContact CB-CB 4.48Å; H78-V130 HydrophobicContact CB-CG1 4.25Å; H78-V130 HydrophobicContact CB-CG2 4.19Å; H78-V130 CarbonylContact O-C 3.6Å; H78-V130 WeakPolarHBondContact O-CA 3.38Å; F119-V130 HydrophobicContact CE1-CG1 4.3Å; I120-V130 HydrophobicContact CG1-CG1 4.24Å; A123-V130 HydrophobicContact CB-CG2 3.48Å; A123-V130 VanDerWaalsContact CB-CG2 3.48Å; R124-V130 HydrophobicContact CG-CG2 3.92Å; V130-V132 HydrophobicContact CG1-CG2 4.34Å
131	L	98.8	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.7	166.2	-175.7	64.9	0	0	0	110.1	A50 L58 S60 V64 A65 L71 I76 H78 I79 L80	A50-L131 HydrophobicContact CB-CD1 4.23Å; L58-L131 HydrophobicContact CB-CD1 3.81Å; S60-L131 WeakPolarHBondContact OG-CD1 3.48Å; V64-L131 HydrophobicContact CG1-CD1 4.21Å; V64-L131 HydrophobicContact CG1-CD2 3.7Å; A65-L131 HydrophobicContact CB-CD2 4.27Å; L71-L131 HydrophobicContact CD2-CD2 3.55Å; I76-L131 HydrophobicContact CD1-CB 4.04Å; I76-L131 HydrophobicContact CG1-CB 4.32Å; I76-L131 HydrophobicContact CG2-CB 4.02Å; H78-L131 PolarHBondContact O-N 2.88Å; I79-L131 CarbonylContact C-O 3.58Å; I79-L131 WeakPolarHBondContact CA-O 3.23Å; I79-L131 HydrophobicContact CG1-CB 4.32Å; L80-L131 PolarHBondContact N-O 2.93Å
132	V	98.8	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.9	170	-172.5	0	0	0	0	108.4	L57 L58 L59 S60 L80 I120 V130 F144 V145	L57-V132 HydrophobicContact CD1-CG2 3.85Å; L58-V132 PolarHBondContact O-N 2.83Å; L59-V132 WeakPolarHBondContact CA-O 3.41Å; S60-V132 PolarHBondContact N-O 2.88Å; L80-V132 HydrophobicContact CB-CG1 4.27Å; L80-V132 HydrophobicContact CB-CG2 4.21Å; L80-V132 HydrophobicContact CD2-CG1 3.89Å; L80-V132 HydrophobicContact CD2-CG2 4.32Å; L80-V132 HydrophobicContact CG-CG1 4.16Å; I120-V132 HydrophobicContact CD1-CG2 3.9Å; I120-V132 HydrophobicContact CG1-CG2 4.17Å; V130-V132 HydrophobicContact CG1-CG2 4.34Å; V132-F144 HydrophobicContact CG1-CB 4.13Å; V132-V145 HydrophobicContact CB-CG2 3.84Å; V132-V145 HydrophobicContact CG1-CG2 4.03Å; V132-V145 HydrophobicContact CG2-CG2 3.99Å
133	H	98.4	Very high	98.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156	-178.2	81.6	95.4	0	0	0	112.8	S60 A65 L80 N81 A82 S141	S60-H133 WeakPolarHBondContact O-CA 3.37Å; A65-H133 HydrophobicContact CB-CB 4.48Å; A65-H133 WeakPolarHBondContact CB-NE2 3.14Å; L80-H133 PolarHBondContact O-N 2.82Å; N81-H133 WeakPolarHBondContact CA-NE2 3.43Å; N81-H133 WeakPolarHBondContact CB-NE2 3.34Å; N81-H133 VanDerWaalsContact CG-CE1 3.48Å; N81-H133 VanDerWaalsContact CG-NE2 3.35Å; N81-H133 PolarHBondContact OD1-CE1 3.05Å; N81-H133 PolarHBondContact OD1-NE2 3.5Å; A82-H133 WeakPolarHBondContact CB-O 3.19Å; A82-H133 PolarHBondContact N-O 3.37Å; H133-S141 VanDerWaalsContact C-CB 3.49Å
134	C	97.5	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.			trans	-130.4	-160.9	162.8	70.8	0	0	0	0	108	S61 Q62 A82 G137 R140 S141	S61-C134 CarbonylContact C-O 3.57Å; Q62-C134 PolarHBondContact N-O 3.3Å; A82-C134 HydrophobicContact CB-CB 4.33Å; A82-C134 VanDerWaalsContact O-CB 3.27Å; A82-C134 WeakPolarHBondContact O-CB 3.06Å; C134-G137 PolarHBondContact SG-N 3.33Å; C134-R140 HydrophobicContact CB-CB 3.79Å; C134-S141 PolarHBondContact SG-OG 3.41Å; C134-S141 VanDerWaalsContact SG-OG 3.38Å
135	N	96.3	Very high	98.1	Very high	36 Å²	36	24.4 Å²	24.4	19%	0.193	14%	0.139	C	C	.	.	S	Bend	trans	-61.8	-58.1	179	-61.4	96.2	0	0	0	111.9	S61 Q62 S84 R140	S61-N135 WeakPolarHBondContact CB-O 3.21Å; Q62-N135 WeakPolarHBondContact CG-O 3.26Å; Q62-N135 PolarHBondContact N-O 3.16Å; Q62-N135 PolarHBondContact OE1-ND2 2.59Å; S84-N135 PolarHBondContact N-OD1 3.13Å; S84-N135 PolarHBondContact O-ND2 3.22Å; N135-R140 PolarHBondContact OD1-NH1 3.12Å; N135-R140 PolarHBondContact OD1-NH2 2.95Å
136	A	95.5	Very high	98.2	Very high	41 Å²	41	14.5 Å²	14.5	34%	0.339	10%	0.102	S	C	.	.	S	Bend	trans	-98.6	-11	-176.4	0	0	0	0	0	114.9	V138 R168	A136-V138 VanDerWaalsContact C-N 3.28Å; A136-V138 HydrophobicContact CB-CB 4.3Å; A136-V138 HydrophobicContact CB-CG2 3.98Å; A136-V138 PolarHBondContact O-N 3.03Å; A136-R168 PolarHBondContact O-NH2 3.46Å; A136-R168 VanDerWaalsContact O-NH2 3.11Å
137	G	96.9	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	67.3	27.1	-174.8	0	0	0	0	0	114.3	S60 C134 S141 R168	S60-G137 WeakPolarHBondContact O-CA 3.36Å; C134-G137 PolarHBondContact SG-N 3.33Å; G137-S141 WeakPolarHBondContact CA-OG 3.47Å; G137-R168 PolarHBondContact O-NE 3.42Å
138	V	97.6	Very high	98.2	Very high	16 Å²	16	7.7 Å²	7.7	10%	0.097	5%	0.045	C	C	.	.	S	Bend	trans	-109.5	-41.7	-171.7	166.6	0	0	0	0	112.9	F38 A136 V142 V170 R172	F38-V138 HydrophobicContact CE2-CG1 4.3Å; F38-V138 HydrophobicContact CE2-CG2 3.88Å; F38-V138 HydrophobicContact CZ-CG1 4.35Å; F38-V138 HydrophobicContact CZ-CG2 4.19Å; A136-V138 VanDerWaalsContact C-N 3.28Å; A136-V138 HydrophobicContact CB-CB 4.3Å; A136-V138 HydrophobicContact CB-CG2 3.98Å; A136-V138 PolarHBondContact O-N 3.03Å; V138-V142 VanDerWaalsContact O-CG2 3.28Å; V138-V142 WeakPolarHBondContact O-CG2 3.46Å; V138-V170 WeakPolarHBondContact CG1-O 3.39Å; V138-V170 HydrophobicContact CG2-CB 4.27Å; V138-V170 HydrophobicContact CG2-CG2 4.21Å; V138-R172 HydrophobicContact CG1-CB 4.25Å; V138-R172 CarbonylContact O-C 3.3Å; V138-R172 PolarHBondContact O-N 2.82Å
139	S	98.5	Very high	98.3	Very high	4 Å²	4	7.3 Å²	7.3	3%	0.028	4%	0.042	C	C	.	.	S	Bend	trans	-126.1	-71.2	-167.6	168.3	0	0	0	0	113.5	D103 S141 V142 S143 N174 F177	D103-S139 WeakPolarHBondContact OD1-CB 3.48Å; D103-S139 PolarHBondContact OD1-OG 2.98Å; D103-S139 WeakPolarHBondContact OD2-CB 3.5Å; S139-S141 PolarHBondContact O-N 3.38Å; S139-V142 PolarHBondContact O-N 3.31Å; S139-S143 PolarHBondContact O-N 3.25Å; S139-S143 PolarHBondContact O-OG 2.92Å; S139-N174 PolarHBondContact OG-N 3.2Å; S139-F177 WeakPolarHBondContact OG-CD2 3.5Å
140	R	98.7	Very high	98.2	Very high	15 Å²	15	5.8 Å²	5.8	6%	0.057	4%	0.036	C	C	.	.	H	α-helix	trans	-55	-53.7	-178.7	-72.8	168.9	-81.1	169.5	-3.2	114.2	A82 S84 V101 D103 I109 C134 N135 V142 S143 F144 F177	A82-R140 HydrophobicContact CB-CB 4.35Å; A82-R140 PolarHBondContact O-NH1 2.91Å; S84-R140 PolarHBondContact OG-NH1 3.48Å; V101-R140 HydrophobicContact CG2-CG 4.19Å; V101-R140 WeakPolarHBondContact O-CD 3.39Å; V101-R140 PolarHBondContact O-NH1 3.44Å; D103-R140 HydrophobicContact CB-CG 4.43Å; D103-R140 IonicContact OD2-CZ 3.14Å; D103-R140 IonicContact OD2-NE 2.68Å; D103-R140 PolarHBondContact OD2-NE 3.19Å; D103-R140 VanDerWaalsContact OD2-NE 3.16Å; D103-R140 IonicContact OD2-NH2 3.9Å; I109-R140 HydrophobicContact CD1-CB 4.4Å; I109-R140 HydrophobicContact CD1-CG 4.32Å; C134-R140 HydrophobicContact CB-CB 3.79Å; N135-R140 PolarHBondContact OD1-NH1 3.12Å; N135-R140 PolarHBondContact OD1-NH2 2.95Å; R140-V142 PolarHBondContact O-N 2.89Å; R140-S143 WeakPolarHBondContact O-CB 3.28Å; R140-S143 PolarHBondContact O-N 2.89Å; R140-S143 VanDerWaalsContact O-N 3.12Å; R140-F144 VanDerWaalsContact O-CD2 3.26Å; R140-F144 WeakPolarHBondContact O-CD2 3.41Å; R140-F144 PolarHBondContact O-N 2.9Å; R140-F177 HydrophobicContact CB-CE2 4.5Å; R140-F177 HydrophobicContact CG-CE2 3.55Å; R140-F177 HydrophobicContact CG-CZ 4.08Å
141	S	98.6	Very high	98.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.7	-36.6	179.6	50.9	0	0	0	0	113.2	L59 H133 C134 G137 S139 S143 F144 V145	L59-S141 VanDerWaalsContact CD1-OG 3.31Å; L59-S141 WeakPolarHBondContact CD1-OG 3.39Å; H133-S141 VanDerWaalsContact C-CB 3.49Å; C134-S141 PolarHBondContact SG-OG 3.41Å; C134-S141 VanDerWaalsContact SG-OG 3.38Å; G137-S141 WeakPolarHBondContact CA-OG 3.47Å; S139-S141 PolarHBondContact O-N 3.38Å; S141-S143 PolarHBondContact O-N 2.84Å; S141-F144 PolarHBondContact O-N 2.9Å; S141-V145 WeakPolarHBondContact O-CG2 3.35Å; S141-V145 PolarHBondContact O-N 2.76Å
142	V	98.8	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.3	-38.9	171.4	173.1	0	0	0	0	110.8	L59 V138 S139 R140 V145 C146 L161 I164 A171 P173	L59-V142 HydrophobicContact CD1-CG2 4.27Å; L59-V142 HydrophobicContact CD2-CG2 3.72Å; V138-V142 VanDerWaalsContact O-CG2 3.28Å; V138-V142 WeakPolarHBondContact O-CG2 3.46Å; S139-V142 PolarHBondContact O-N 3.31Å; R140-V142 PolarHBondContact O-N 2.89Å; V142-V145 PolarHBondContact O-N 2.85Å; V142-C146 VanDerWaalsContact O-CB 3.24Å; V142-C146 WeakPolarHBondContact O-CB 3.25Å; V142-C146 PolarHBondContact O-N 2.92Å; V142-L161 HydrophobicContact CG1-CD2 3.88Å; V142-I164 HydrophobicContact CG1-CD1 4.3Å; V142-I164 HydrophobicContact CG1-CG2 4.15Å; V142-I164 HydrophobicContact CG2-CG2 4.4Å; V142-A171 HydrophobicContact CG1-CB 4.07Å; V142-A171 HydrophobicContact CG2-CB 3.64Å; V142-P173 HydrophobicContact CB-CG 4.03Å; V142-P173 HydrophobicContact CG1-CG 3.51Å
143	S	98.9	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.7	-45	-180	-53	0	0	0	0	111.4	S139 R140 S141 V145 C146 A147	S139-S143 PolarHBondContact O-N 3.25Å; S139-S143 PolarHBondContact O-OG 2.92Å; R140-S143 WeakPolarHBondContact O-CB 3.28Å; R140-S143 PolarHBondContact O-N 2.89Å; R140-S143 VanDerWaalsContact O-N 3.12Å; S141-S143 PolarHBondContact O-N 2.84Å; S143-V145 PolarHBondContact O-N 2.91Å; S143-C146 PolarHBondContact O-N 3.22Å; S143-A147 WeakPolarHBondContact O-CB 3.15Å; S143-A147 PolarHBondContact O-N 3.21Å
144	F	98.9	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-39.8	174.5	-70.5	-61.8	0	0	0	113.4	L80 A82 V99 V101 I109 F113 C116 V132 R140 S141 Y148	L80-F144 HydrophobicContact CD2-CB 4.08Å; L80-F144 HydrophobicContact CD2-CG 4.19Å; A82-F144 HydrophobicContact CB-CD2 3.91Å; A82-F144 HydrophobicContact CB-CE2 3.64Å; V99-F144 HydrophobicContact CB-CZ 4.47Å; V99-F144 HydrophobicContact CG2-CE2 3.66Å; V99-F144 HydrophobicContact CG2-CZ 3.74Å; V101-F144 HydrophobicContact CG2-CE2 3.99Å; V101-F144 HydrophobicContact CG2-CZ 4.25Å; I109-F144 HydrophobicContact CD1-CD2 4.44Å; I109-F144 HydrophobicContact CD1-CE2 3.86Å; I109-F144 HydrophobicContact CD1-CZ 3.93Å; I109-F144 HydrophobicContact CG1-CE1 4.02Å; I109-F144 HydrophobicContact CG1-CE2 4.03Å; I109-F144 HydrophobicContact CG1-CZ 3.56Å; F113-F144 AromaticContact CD1-CD1 3.87Å; F113-F144 HydrophobicContact CD1-CD1 3.87Å; F113-F144 AromaticContact CD1-CE1 3.89Å; F113-F144 HydrophobicContact CD1-CE1 3.89Å; F113-F144 HydrophobicContact CE1-CD1 4.31Å; F113-F144 HydrophobicContact CE1-CE1 4.34Å; C116-F144 HydrophobicContact CB-CD1 3.52Å; C116-F144 HydrophobicContact CB-CE1 3.9Å; C116-F144 HydrophobicContact CB-CG 4.31Å; C116-F144 VanDerWaalsContact SG-CE1 3.55Å; V132-F144 HydrophobicContact CG1-CB 4.13Å; R140-F144 VanDerWaalsContact O-CD2 3.26Å; R140-F144 WeakPolarHBondContact O-CD2 3.41Å; R140-F144 PolarHBondContact O-N 2.9Å; S141-F144 PolarHBondContact O-N 2.9Å; F144-Y148 WeakPolarHBondContact O-CB 3.49Å; F144-Y148 PolarHBondContact O-N 3.08Å
145	V	98.9	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-39.8	174.2	175	0	0	0	0	111	I53 L57 L59 V132 S141 V142 S143 Y148 L149 I164	I53-V145 HydrophobicContact CB-CG1 4.25Å; I53-V145 HydrophobicContact CG1-CG1 4.13Å; I53-V145 HydrophobicContact CG2-CG1 3.81Å; L57-V145 HydrophobicContact CD2-CG1 4.4Å; L59-V145 HydrophobicContact CD1-CG2 4.2Å; V132-V145 HydrophobicContact CB-CG2 3.84Å; V132-V145 HydrophobicContact CG1-CG2 4.03Å; V132-V145 HydrophobicContact CG2-CG2 3.99Å; S141-V145 WeakPolarHBondContact O-CG2 3.35Å; S141-V145 PolarHBondContact O-N 2.76Å; V142-V145 PolarHBondContact O-N 2.85Å; S143-V145 PolarHBondContact O-N 2.91Å; V145-Y148 WeakPolarHBondContact O-CB 3.18Å; V145-Y148 PolarHBondContact O-N 3.5Å; V145-L149 HydrophobicContact CG1-CG 4.49Å; V145-L149 WeakPolarHBondContact O-CG 3.27Å; V145-L149 PolarHBondContact O-N 2.93Å; V145-I164 HydrophobicContact CB-CD1 4.23Å; V145-I164 HydrophobicContact CG1-CD1 3.79Å; V145-I164 HydrophobicContact CG1-CG1 4.06Å
146	C	98.9	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-49.2	176.7	-176.6	0	0	0	0	111.6	V142 S143 Y148 L149 V150 L161 I164 L181	V142-C146 VanDerWaalsContact O-CB 3.24Å; V142-C146 WeakPolarHBondContact O-CB 3.25Å; V142-C146 PolarHBondContact O-N 2.92Å; S143-C146 PolarHBondContact O-N 3.22Å; C146-Y148 PolarHBondContact O-N 2.89Å; C146-L149 PolarHBondContact O-N 2.85Å; C146-L149 VanDerWaalsContact O-N 3.17Å; C146-V150 WeakPolarHBondContact O-CB 3.38Å; C146-V150 VanDerWaalsContact O-CG2 3.28Å; C146-V150 WeakPolarHBondContact O-CG2 3.37Å; C146-V150 PolarHBondContact O-N 3.11Å; C146-L161 HydrophobicContact CB-CD2 3.96Å; C146-I164 HydrophobicContact CB-CD1 3.95Å; C146-L181 HydrophobicContact CB-CD1 4.03Å; C146-L181 HydrophobicContact CB-CD2 4.02Å
147	A	98.8	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.9	-39.2	174.4	0	0	0	0	0	111.8	F113 S143 V150 K151 L181 Y184	F113-A147 HydrophobicContact CB-CB 4.1Å; F113-A147 HydrophobicContact CD1-CB 3.75Å; F113-A147 HydrophobicContact CD2-CB 3.98Å; F113-A147 HydrophobicContact CE1-CB 4.1Å; F113-A147 HydrophobicContact CE2-CB 4.33Å; F113-A147 HydrophobicContact CG-CB 3.69Å; F113-A147 HydrophobicContact CZ-CB 4.39Å; S143-A147 WeakPolarHBondContact O-CB 3.15Å; S143-A147 PolarHBondContact O-N 3.21Å; A147-V150 PolarHBondContact O-N 3.32Å; A147-K151 WeakPolarHBondContact O-CB 3.33Å; A147-K151 PolarHBondContact O-N 3Å; A147-L181 HydrophobicContact CB-CD2 3.85Å; A147-Y184 HydrophobicContact CB-CD1 4.14Å; A147-Y184 HydrophobicContact CB-CE1 3.9Å
148	Y	98.8	Very high	98.2	Very high	3 Å²	3	30 Å²	30	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-48	175.6	179.3	-91.1	0	0	0	113	L54 L57 C117 I120 H121 R124 F144 V145 C146 V150 K151 Y152 E153	L54-Y148 HydrophobicContact CD1-CE1 4.49Å; L57-Y148 HydrophobicContact CD2-CD1 3.66Å; L57-Y148 HydrophobicContact CD2-CE1 3.89Å; L57-Y148 HydrophobicContact CD2-CG 4.47Å; C117-Y148 HydrophobicContact CB-CD2 4.31Å; C117-Y148 VanDerWaalsContact SG-CA 3.59Å; C117-Y148 PolarHBondContact SG-N 2.91Å; C117-Y148 VanDerWaalsContact SG-N 3.38Å; I120-Y148 HydrophobicContact CB-CD2 3.65Å; I120-Y148 HydrophobicContact CB-CE2 3.81Å; I120-Y148 HydrophobicContact CB-CG 4.35Å; I120-Y148 HydrophobicContact CD1-CD2 4.26Å; I120-Y148 HydrophobicContact CD1-CG 4.33Å; I120-Y148 HydrophobicContact CG2-CD1 4.24Å; I120-Y148 HydrophobicContact CG2-CD2 3.54Å; I120-Y148 HydrophobicContact CG2-CE1 4.21Å; I120-Y148 HydrophobicContact CG2-CE2 3.48Å; I120-Y148 VanDerWaalsContact CG2-CE2 3.48Å; I120-Y148 HydrophobicContact CG2-CG 3.92Å; H121-Y148 HydrophobicContact CB-CE2 3.91Å; R124-Y148 VanDerWaalsContact NH1-CE1 3.35Å; R124-Y148 PolarHBondContact NH1-OH 3.29Å; F144-Y148 WeakPolarHBondContact O-CB 3.49Å; F144-Y148 PolarHBondContact O-N 3.08Å; V145-Y148 WeakPolarHBondContact O-CB 3.18Å; V145-Y148 PolarHBondContact O-N 3.5Å; C146-Y148 PolarHBondContact O-N 2.89Å; Y148-V150 VanDerWaalsContact C-N 3.28Å; Y148-V150 PolarHBondContact O-N 3.33Å; Y148-K151 PolarHBondContact O-N 3.07Å; Y148-Y152 AromaticContact CD2-CD2 3.67Å; Y148-Y152 HydrophobicContact CD2-CD2 3.67Å; Y148-Y152 HydrophobicContact CD2-CE2 4.38Å; Y148-Y152 AromaticContact CE2-CD2 3.5Å; Y148-Y152 HydrophobicContact CE2-CD2 3.5Å; Y148-Y152 HydrophobicContact CE2-CE2 4.24Å; Y148-Y152 HydrophobicContact CE2-CG 4.05Å; Y148-Y152 PolarHBondContact O-N 3.22Å; Y148-E153 HydrophobicContact CE1-CG 4.09Å
149	L	98.7	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-38.7	177.1	-67.2	-178.5	0	0	0	111.7	I53 L54 V145 C146 E153 K154 F155 A160 Y163 I164	I53-L149 HydrophobicContact CG2-CD1 4.21Å; L54-L149 HydrophobicContact CD1-CD2 3.44Å; L54-L149 VanDerWaalsContact CD1-CD2 3.44Å; L54-L149 HydrophobicContact CG-CD2 4.01Å; V145-L149 HydrophobicContact CG1-CG 4.49Å; V145-L149 WeakPolarHBondContact O-CG 3.27Å; V145-L149 PolarHBondContact O-N 2.93Å; C146-L149 PolarHBondContact O-N 2.85Å; C146-L149 VanDerWaalsContact O-N 3.17Å; L149-E153 HydrophobicContact CD2-CB 4.27Å; L149-E153 HydrophobicContact CD2-CG 4Å; L149-E153 CarbonylContact O-C 3.59Å; L149-E153 VanDerWaalsContact O-C 3.3Å; L149-E153 WeakPolarHBondContact O-CA 3.42Å; L149-E153 WeakPolarHBondContact O-CB 3.31Å; L149-E153 PolarHBondContact O-N 2.74Å; L149-E153 VanDerWaalsContact O-N 3.13Å; L149-K154 PolarHBondContact O-N 3.49Å; L149-K154 VanDerWaalsContact O-N 3.13Å; L149-F155 HydrophobicContact CB-CB 4.2Å; L149-F155 HydrophobicContact CB-CD2 4.13Å; L149-F155 HydrophobicContact CB-CG 4.18Å; L149-F155 PolarHBondContact O-N 2.83Å; L149-F155 VanDerWaalsContact O-N 3.15Å; L149-A160 HydrophobicContact CB-CB 3.93Å; L149-A160 HydrophobicContact CD1-CB 3.99Å; L149-Y163 HydrophobicContact CD1-CD1 4Å; L149-I164 HydrophobicContact CD1-CD1 3.94Å; L149-I164 HydrophobicContact CD1-CG1 3.81Å
150	V	98.2	Very high	98.2	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-46.1	177.9	168.4	0	0	0	0	110.9	C146 A147 Y148 V157 A160 E185 I188	C146-V150 WeakPolarHBondContact O-CB 3.38Å; C146-V150 VanDerWaalsContact O-CG2 3.28Å; C146-V150 WeakPolarHBondContact O-CG2 3.37Å; C146-V150 PolarHBondContact O-N 3.11Å; A147-V150 PolarHBondContact O-N 3.32Å; Y148-V150 VanDerWaalsContact C-N 3.28Å; Y148-V150 PolarHBondContact O-N 3.33Å; V150-V157 HydrophobicContact CG2-CG2 3.8Å; V150-A160 HydrophobicContact CG2-CB 4.1Å; V150-E185 HydrophobicContact CG1-CB 4.02Å; V150-E185 HydrophobicContact CG1-CG 4.12Å; V150-I188 HydrophobicContact CG1-CD1 3.66Å; V150-I188 HydrophobicContact CG1-CG1 4.42Å
151	K	97.8	Very high	98.3	Very high	55 Å²	55	33.3 Å²	33.3	24%	0.239	16%	0.158	C	C	.	.	H	α-helix	trans	-73.1	-50.1	-179.6	-179.9	171	175.4	-176.8	0	114.6	E114 C117 A147 Y148 Y184 I188	E114-K151 IonicContact OE1-NZ 3.22Å; E114-K151 PolarHBondContact OE1-NZ 3.12Å; E114-K151 IonicContact OE2-NZ 3.92Å; E114-K151 PolarHBondContact OE2-NZ 3.48Å; C117-K151 HydrophobicContact CB-CD 4.21Å; A147-K151 WeakPolarHBondContact O-CB 3.33Å; A147-K151 PolarHBondContact O-N 3Å; Y148-K151 PolarHBondContact O-N 3.07Å; K151-Y184 HydrophobicContact CB-CE1 4.41Å; K151-Y184 WeakPolarHBondContact CD-OH 3.35Å; K151-I188 HydrophobicContact CB-CD1 4.12Å
152	Y	97.7	Very high	98.2	Very high	70 Å²	70	35.3 Å²	35.3	28%	0.275	17%	0.174	S	C	.	.	H	α-helix	trans	-103.1	-21.5	-167.8	-74.3	-71	0	0	0	114.5	C117 H121 Y148	C117-Y152 HydrophobicContact CB-CD2 4.28Å; C117-Y152 HydrophobicContact CB-CE2 3.87Å; C117-Y152 WeakPolarHBondContact O-CE2 3.09Å; H121-Y152 HydrophobicContact CB-CD1 4.45Å; H121-Y152 HydrophobicContact CB-CD2 4.07Å; H121-Y152 HydrophobicContact CB-CE1 4.11Å; H121-Y152 HydrophobicContact CB-CE2 3.69Å; H121-Y152 HydrophobicContact CB-CG 4.42Å; H121-Y152 AromaticContact CD2-CE1 3.94Å; H121-Y152 AromaticContact CE1-CD1 3.48Å; H121-Y152 VanDerWaalsContact CE1-CD1 3.48Å; H121-Y152 WeakPolarHBondContact CE1-CD1 3.49Å; H121-Y152 AromaticContact CE1-CE1 3.71Å; H121-Y152 AromaticContact CG-CD1 3.78Å; H121-Y152 AromaticContact CG-CE1 3.54Å; H121-Y152 AromaticContact CG-CZ 3.68Å; H121-Y152 AromaticContact ND1-CD1 3.12Å; H121-Y152 WeakPolarHBondContact ND1-CD1 3.22Å; H121-Y152 AromaticContact ND1-CD2 3.97Å; H121-Y152 AromaticContact ND1-CE1 3.39Å; H121-Y152 WeakPolarHBondContact ND1-CE1 3.31Å; H121-Y152 AromaticContact ND1-CG 3.43Å; H121-Y152 AromaticContact ND1-CZ 3.91Å; Y148-Y152 AromaticContact CD2-CD2 3.67Å; Y148-Y152 HydrophobicContact CD2-CD2 3.67Å; Y148-Y152 HydrophobicContact CD2-CE2 4.38Å; Y148-Y152 AromaticContact CE2-CD2 3.5Å; Y148-Y152 HydrophobicContact CE2-CD2 3.5Å; Y148-Y152 HydrophobicContact CE2-CE2 4.24Å; Y148-Y152 HydrophobicContact CE2-CG 4.05Å; Y148-Y152 PolarHBondContact O-N 3.22Å
153	E	97	Very high	98.2	Very high	71 Å²	71	38.1 Å²	38.1	33%	0.332	19%	0.185	S	C	.	.	S	Bend	trans	-114.2	5.4	-174.8	-51.1	-78.6	-178.3	0	0	111.7	L54 R124 Y148 L149 F155	L54-E153 HydrophobicContact CD1-CG 3.65Å; L54-E153 VanDerWaalsContact CD1-OE1 3.28Å; L54-E153 WeakPolarHBondContact CD1-OE1 3.38Å; R124-E153 IonicContact CZ-OE1 3.42Å; R124-E153 IonicContact NH1-OE1 2.85Å; R124-E153 PolarHBondContact NH1-OE1 3.28Å; R124-E153 IonicContact NH2-OE1 2.76Å; Y148-E153 HydrophobicContact CE1-CG 4.09Å; L149-E153 HydrophobicContact CD2-CB 4.27Å; L149-E153 HydrophobicContact CD2-CG 4Å; L149-E153 CarbonylContact O-C 3.59Å; L149-E153 VanDerWaalsContact O-C 3.3Å; L149-E153 WeakPolarHBondContact O-CA 3.42Å; L149-E153 WeakPolarHBondContact O-CB 3.31Å; L149-E153 PolarHBondContact O-N 2.74Å; L149-E153 VanDerWaalsContact O-N 3.13Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 HydrophobicContact CB-CD2 3.73Å; E153-F155 HydrophobicContact CB-CE2 3.85Å; E153-F155 WeakPolarHBondContact O-CD2 3.43Å; E153-F155 PolarHBondContact O-N 2.94Å
154	K	95	Very high	98.2	Very high	192 Å²	192	38.1 Å²	38.1	84%	0.835	19%	0.185	S	C	*	.			trans	61.5	24.6	174.8	-54.6	179.9	-180	-178.9	0	115.6	L149	L149-K154 PolarHBondContact O-N 3.49Å; L149-K154 VanDerWaalsContact O-N 3.13Å
155	F	97.9	Very high	98.2	Very high	52 Å²	52	42.5 Å²	42.5	23%	0.228	20%	0.202	C	C	.	.			trans	-70.3	157.6	173.2	-75.7	-113.1	0	0	0	111.2	L149 E153 N159 A160 Y163 R189	L149-F155 HydrophobicContact CB-CB 4.2Å; L149-F155 HydrophobicContact CB-CD2 4.13Å; L149-F155 HydrophobicContact CB-CG 4.18Å; L149-F155 PolarHBondContact O-N 2.83Å; L149-F155 VanDerWaalsContact O-N 3.15Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 HydrophobicContact CB-CD2 3.73Å; E153-F155 HydrophobicContact CB-CE2 3.85Å; E153-F155 WeakPolarHBondContact O-CD2 3.43Å; E153-F155 PolarHBondContact O-N 2.94Å; F155-N159 HydrophobicContact CD1-CB 3.95Å; F155-A160 HydrophobicContact CB-CB 3.82Å; F155-A160 HydrophobicContact CD1-CB 4.33Å; F155-A160 HydrophobicContact CG-CB 4.35Å; F155-Y163 HydrophobicContact CE1-CD1 4.19Å; F155-Y163 HydrophobicContact CE1-CD2 4.29Å; F155-Y163 AromaticContact CE1-CG 3.85Å; F155-Y163 HydrophobicContact CE1-CG 3.85Å; F155-Y163 HydrophobicContact CZ-CD1 4.24Å; F155-Y163 HydrophobicContact CZ-CD2 4.49Å; F155-Y163 HydrophobicContact CZ-CG 4.21Å; F155-R189 PolarHBondContact O-NH2 3.32Å
156	S	98	Very high	98.1	Very high	26 Å²	26	49.5 Å²	49.5	18%	0.182	24%	0.235	C	C	.	.			trans	-81.5	159.9	155.1	64	0	0	0	0	110.3	I158 N159 A160 E185	S156-I158 PolarHBondContact O-N 2.85Å; S156-N159 PolarHBondContact O-N 2.91Å; S156-N159 VanDerWaalsContact O-N 3.17Å; S156-N159 WeakPolarHBondContact OG-CB 3.45Å; S156-N159 PolarHBondContact OG-N 2.96Å; S156-N159 VanDerWaalsContact OG-N 3.12Å; S156-N159 PolarHBondContact OG-OD1 3.46Å; S156-A160 VanDerWaalsContact O-CB 3.26Å; S156-A160 WeakPolarHBondContact O-CB 3.1Å; S156-A160 PolarHBondContact O-N 2.97Å; S156-E185 WeakPolarHBondContact CA-OE1 3.44Å; S156-E185 WeakPolarHBondContact CB-OE1 3.35Å
157	V	98.5	Very high	98.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-37.6	176.4	168.6	0	0	0	0	110.9	V150 L161 L181 M182 E185	V150-V157 HydrophobicContact CG2-CG2 3.8Å; V157-L161 HydrophobicContact CG1-CD1 3.78Å; V157-L161 HydrophobicContact CG1-CG 4.29Å; V157-L161 WeakPolarHBondContact O-CB 3.49Å; V157-L161 VanDerWaalsContact O-CG 3.23Å; V157-L161 WeakPolarHBondContact O-CG 3.34Å; V157-L161 PolarHBondContact O-N 3.19Å; V157-L181 HydrophobicContact CG1-CB 3.93Å; V157-L181 HydrophobicContact CG2-CB 3.83Å; V157-L181 WeakPolarHBondContact CG2-O 3.45Å; V157-M182 HydrophobicContact CG1-CG 4.36Å; V157-E185 WeakPolarHBondContact CB-OE2 3.24Å; V157-E185 HydrophobicContact CG2-CB 3.89Å; V157-E185 HydrophobicContact CG2-CG 4.41Å; V157-E185 WeakPolarHBondContact CG2-OE2 3.21Å; V157-E185 PolarHBondContact N-OE1 2.89Å; V157-E185 PolarHBondContact N-OE2 2.77Å
158	I	98.2	Very high	98	Very high	119 Å²	119	54.3 Å²	54.3	61%	0.61	26%	0.255	S	S	*	.	H	α-helix	trans	-61.2	-51.6	175.9	-60.6	176.4	0	0	0	110.6	S156 L161 A162	S156-I158 PolarHBondContact O-N 2.85Å; I158-L161 PolarHBondContact O-N 3Å; I158-A162 WeakPolarHBondContact O-CB 3.29Å; I158-A162 PolarHBondContact O-N 2.88Å
159	N	98.4	Very high	97.8	Very high	97 Å²	97	59.3 Å²	59.3	52%	0.519	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-38.4	-178.5	-66.5	1.5	0	0	0	111.6	F155 S156 A162 Y163	F155-N159 HydrophobicContact CD1-CB 3.95Å; S156-N159 PolarHBondContact O-N 2.91Å; S156-N159 VanDerWaalsContact O-N 3.17Å; S156-N159 WeakPolarHBondContact OG-CB 3.45Å; S156-N159 PolarHBondContact OG-N 2.96Å; S156-N159 VanDerWaalsContact OG-N 3.12Å; S156-N159 PolarHBondContact OG-OD1 3.46Å; N159-A162 PolarHBondContact O-N 2.78Å; N159-Y163 VanDerWaalsContact O-CB 3.29Å; N159-Y163 WeakPolarHBondContact O-CB 3.44Å; N159-Y163 PolarHBondContact O-N 2.82Å
160	A	98.7	Very high	97.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-45.9	177.2	0	0	0	0	0	111.1	L149 V150 F155 S156 Y163 I164	L149-A160 HydrophobicContact CB-CB 3.93Å; L149-A160 HydrophobicContact CD1-CB 3.99Å; V150-A160 HydrophobicContact CG2-CB 4.1Å; F155-A160 HydrophobicContact CB-CB 3.82Å; F155-A160 HydrophobicContact CD1-CB 4.33Å; F155-A160 HydrophobicContact CG-CB 4.35Å; S156-A160 VanDerWaalsContact O-CB 3.26Å; S156-A160 WeakPolarHBondContact O-CB 3.1Å; S156-A160 PolarHBondContact O-N 2.97Å; A160-Y163 PolarHBondContact O-N 3.11Å; A160-I164 WeakPolarHBondContact O-CB 3.2Å; A160-I164 WeakPolarHBondContact O-CD1 3.47Å; A160-I164 WeakPolarHBondContact O-CG1 3.29Å; A160-I164 PolarHBondContact O-N 3.08Å
161	L	98.7	Very high	97.7	Very high	8 Å²	8	61 Å²	61	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-30.8	177.5	-67.7	175.6	0	0	0	112.8	V142 C146 V157 I158 R165 P173 I178	V142-L161 HydrophobicContact CG1-CD2 3.88Å; C146-L161 HydrophobicContact CB-CD2 3.96Å; V157-L161 HydrophobicContact CG1-CD1 3.78Å; V157-L161 HydrophobicContact CG1-CG 4.29Å; V157-L161 WeakPolarHBondContact O-CB 3.49Å; V157-L161 VanDerWaalsContact O-CG 3.23Å; V157-L161 WeakPolarHBondContact O-CG 3.34Å; V157-L161 PolarHBondContact O-N 3.19Å; I158-L161 PolarHBondContact O-N 3Å; L161-R165 WeakPolarHBondContact O-CB 3.45Å; L161-R165 WeakPolarHBondContact O-CD 3.33Å; L161-R165 VanDerWaalsContact O-CG 3.23Å; L161-R165 WeakPolarHBondContact O-CG 3.37Å; L161-R165 PolarHBondContact O-N 2.98Å; L161-R165 PolarHBondContact O-NH1 2.69Å; L161-P173 HydrophobicContact CD2-CG 3.84Å; L161-I178 HydrophobicContact CD1-CG1 4.42Å
162	A	98.6	Very high	97.7	Very high	42 Å²	42	63.5 Å²	63.5	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-52.7	170.5	0	0	0	0	0	111.1	I158 N159 I164 R165 E166	I158-A162 WeakPolarHBondContact O-CB 3.29Å; I158-A162 PolarHBondContact O-N 2.88Å; N159-A162 PolarHBondContact O-N 2.78Å; A162-I164 VanDerWaalsContact C-N 3.33Å; A162-I164 PolarHBondContact O-N 2.98Å; A162-R165 WeakPolarHBondContact O-CA 3.34Å; A162-R165 WeakPolarHBondContact O-CB 3.33Å; A162-R165 PolarHBondContact O-N 3.39Å; A162-E166 PolarHBondContact O-N 2.68Å
163	Y	98.6	Very high	97.7	Very high	59 Å²	59	60.3 Å²	60.3	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-38.7	179.3	-174.6	-105.3	0	0	0	113.5	I53 L54 L149 F155 N159 A160 K167	I53-Y163 HydrophobicContact CG2-CD1 4.26Å; I53-Y163 HydrophobicContact CG2-CE1 4.12Å; I53-Y163 VanDerWaalsContact O-CE1 3.26Å; I53-Y163 WeakPolarHBondContact O-CE1 3.43Å; I53-Y163 PolarHBondContact O-OH 3.38Å; L54-Y163 HydrophobicContact CD2-CE1 3.88Å; L54-Y163 HydrophobicContact CG-CE1 4.45Å; L149-Y163 HydrophobicContact CD1-CD1 4Å; F155-Y163 HydrophobicContact CE1-CD1 4.19Å; F155-Y163 HydrophobicContact CE1-CD2 4.29Å; F155-Y163 AromaticContact CE1-CG 3.85Å; F155-Y163 HydrophobicContact CE1-CG 3.85Å; F155-Y163 HydrophobicContact CZ-CD1 4.24Å; F155-Y163 HydrophobicContact CZ-CD2 4.49Å; F155-Y163 HydrophobicContact CZ-CG 4.21Å; N159-Y163 VanDerWaalsContact O-CB 3.29Å; N159-Y163 WeakPolarHBondContact O-CB 3.44Å; N159-Y163 PolarHBondContact O-N 2.82Å; A160-Y163 PolarHBondContact O-N 3.11Å; Y163-K167 HydrophobicContact CE1-CD 4.13Å; Y163-K167 VanDerWaalsContact OH-CE 3.28Å; Y163-K167 WeakPolarHBondContact OH-CE 3.38Å
164	I	98.6	Very high	97.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-38.6	173.9	-65	161.7	0	0	0	110.7	I53 L59 V142 V145 C146 L149 A160 A162 K167 R168 A171	I53-I164 HydrophobicContact CD1-CG2 4.22Å; I53-I164 HydrophobicContact CG2-CG1 4.13Å; L59-I164 HydrophobicContact CD2-CG2 3.62Å; V142-I164 HydrophobicContact CG1-CD1 4.3Å; V142-I164 HydrophobicContact CG1-CG2 4.15Å; V142-I164 HydrophobicContact CG2-CG2 4.4Å; V145-I164 HydrophobicContact CB-CD1 4.23Å; V145-I164 HydrophobicContact CG1-CD1 3.79Å; V145-I164 HydrophobicContact CG1-CG1 4.06Å; C146-I164 HydrophobicContact CB-CD1 3.95Å; L149-I164 HydrophobicContact CD1-CD1 3.94Å; L149-I164 HydrophobicContact CD1-CG1 3.81Å; A160-I164 WeakPolarHBondContact O-CB 3.2Å; A160-I164 WeakPolarHBondContact O-CD1 3.47Å; A160-I164 WeakPolarHBondContact O-CG1 3.29Å; A160-I164 PolarHBondContact O-N 3.08Å; A162-I164 VanDerWaalsContact C-N 3.33Å; A162-I164 PolarHBondContact O-N 2.98Å; I164-K167 PolarHBondContact O-N 3.22Å; I164-R168 PolarHBondContact O-N 3.08Å; I164-A171 HydrophobicContact CG2-CB 3.71Å
165	R	98.2	Very high	97.9	Very high	92 Å²	92	52.8 Å²	52.8	35%	0.347	28%	0.276	S	S	.	.	H	α-helix	trans	-69.1	-34.8	179.6	-76.5	173.2	-164.8	123.4	0.9	113.5	L161 A162 K167 R168 P169 A171	L161-R165 WeakPolarHBondContact O-CB 3.45Å; L161-R165 WeakPolarHBondContact O-CD 3.33Å; L161-R165 VanDerWaalsContact O-CG 3.23Å; L161-R165 WeakPolarHBondContact O-CG 3.37Å; L161-R165 PolarHBondContact O-N 2.98Å; L161-R165 PolarHBondContact O-NH1 2.69Å; A162-R165 WeakPolarHBondContact O-CA 3.34Å; A162-R165 WeakPolarHBondContact O-CB 3.33Å; A162-R165 PolarHBondContact O-N 3.39Å; R165-K167 PolarHBondContact O-N 3.44Å; R165-R168 CarbonylContact O-C 3.6Å; R165-R168 PolarHBondContact O-N 2.89Å; R165-P169 VanDerWaalsContact O-CA 3.26Å; R165-P169 WeakPolarHBondContact O-CA 3.26Å; R165-P169 VanDerWaalsContact O-N 3.16Å; R165-A171 HydrophobicContact CG-CB 3.93Å; R165-A171 WeakPolarHBondContact CG-O 3.48Å; R165-A171 PolarHBondContact NE-O 3.04Å
166	E	97.8	Very high	98	Very high	148 Å²	148	50.9 Å²	50.9	69%	0.692	27%	0.271	S	S	*	.	H	α-helix	trans	-55.6	-32.4	172.3	-70.7	171.1	-175.8	0	0	112.1	A162	A162-E166 PolarHBondContact O-N 2.68Å
167	K	97.7	Very high	98	Very high	84 Å²	84	49.7 Å²	49.7	37%	0.365	26%	0.263	S	S	.	.	H	α-helix	trans	-101.4	-25	-176.2	-64.9	169.8	166.1	-83.6	0	114.1	A51 E52 I53 Y163 I164 R165	A51-K167 WeakPolarHBondContact CB-O 3.34Å; E52-K167 PolarHBondContact O-NZ 3.37Å; I53-K167 HydrophobicContact CD1-CB 3.95Å; I53-K167 HydrophobicContact CD1-CD 4.2Å; I53-K167 WeakPolarHBondContact O-CE 3.42Å; I53-K167 PolarHBondContact O-NZ 2.94Å; Y163-K167 HydrophobicContact CE1-CD 4.13Å; Y163-K167 VanDerWaalsContact OH-CE 3.28Å; Y163-K167 WeakPolarHBondContact OH-CE 3.38Å; I164-K167 PolarHBondContact O-N 3.22Å; R165-K167 PolarHBondContact O-N 3.44Å
168	R	96.2	Very high	98	Very high	16 Å²	16	51.8 Å²	51.8	6%	0.06	27%	0.274	C	S	.	.			trans	-141.7	87.3	174.5	-171.6	162.8	172.7	92.2	3.1	109	D47 E49 A51 L59 A136 G137 I164 R165 V170 A171	D47-R168 IonicContact OD1-NH1 3.22Å; D47-R168 PolarHBondContact OD1-NH1 3.33Å; D47-R168 IonicContact OD1-NH2 3.73Å; D47-R168 IonicContact OD2-CZ 2.87Å; D47-R168 IonicContact OD2-NH1 3.22Å; D47-R168 PolarHBondContact OD2-NH1 2.96Å; D47-R168 IonicContact OD2-NH2 2.64Å; D47-R168 PolarHBondContact OD2-NH2 2.87Å; E49-R168 PolarHBondContact O-NH1 3.26Å; A51-R168 HydrophobicContact CB-CB 3.81Å; A51-R168 HydrophobicContact CB-CG 4.43Å; L59-R168 HydrophobicContact CD2-CB 4.33Å; A136-R168 PolarHBondContact O-NH2 3.46Å; A136-R168 VanDerWaalsContact O-NH2 3.11Å; G137-R168 PolarHBondContact O-NE 3.42Å; I164-R168 PolarHBondContact O-N 3.08Å; R165-R168 CarbonylContact O-C 3.6Å; R165-R168 PolarHBondContact O-N 2.89Å; R168-V170 HydrophobicContact CG-CG2 3.69Å; R168-V170 PolarHBondContact O-N 3.22Å; R168-A171 WeakPolarHBondContact O-CB 3.49Å; R168-A171 PolarHBondContact O-N 3.49Å
169	P	95.9	Very high	98	Very high	109 Å²	109	52.5 Å²	52.5	71%	0.708	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.8	-172.5	-30.7	37.2	0	0	0	115.3	R165 A171	R165-P169 VanDerWaalsContact O-CA 3.26Å; R165-P169 WeakPolarHBondContact O-CA 3.26Å; R165-P169 VanDerWaalsContact O-N 3.16Å; P169-A171 PolarHBondContact O-N 3.41Å
170	V	95.6	Very high	98.1	Very high	38 Å²	38	49.1 Å²	49.1	23%	0.23	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.9	176.5	-56.5	0	0	0	0	114.2	F38 V138 R168 R172	F38-V170 HydrophobicContact CD2-CB 3.99Å; F38-V170 HydrophobicContact CD2-CG1 3.94Å; F38-V170 HydrophobicContact CE2-CB 4.01Å; F38-V170 HydrophobicContact CE2-CG1 4.4Å; V138-V170 WeakPolarHBondContact CG1-O 3.39Å; V138-V170 HydrophobicContact CG2-CB 4.27Å; V138-V170 HydrophobicContact CG2-CG2 4.21Å; R168-V170 HydrophobicContact CG-CG2 3.69Å; R168-V170 PolarHBondContact O-N 3.22Å; V170-R172 PolarHBondContact O-N 3.46Å; V170-R172 VanDerWaalsContact O-N 3.15Å
171	A	97.7	Very high	98.1	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	25%	0.254	C	S	.	.			trans	-68.3	107.3	-175.8	0	0	0	0	0	113.1	V142 I164 R165 R168 P169	V142-A171 HydrophobicContact CG1-CB 4.07Å; V142-A171 HydrophobicContact CG2-CB 3.64Å; I164-A171 HydrophobicContact CG2-CB 3.71Å; R165-A171 HydrophobicContact CG-CB 3.93Å; R165-A171 WeakPolarHBondContact CG-O 3.48Å; R165-A171 PolarHBondContact NE-O 3.04Å; R168-A171 WeakPolarHBondContact O-CB 3.49Å; R168-A171 PolarHBondContact O-N 3.49Å; P169-A171 PolarHBondContact O-N 3.41Å
172	R	97.9	Very high	98	Very high	107 Å²	107	52.8 Å²	52.8	40%	0.404	27%	0.271	S	S	.	.			trans	-149.9	86	-176.6	-172	175.5	66.8	179.4	-3.6	110.8	M35 V138 V170	M35-R172 PolarHBondContact SD-NH1 2.94Å; M35-R172 VanDerWaalsContact SD-NH1 3.4Å; V138-R172 HydrophobicContact CG1-CB 4.25Å; V138-R172 CarbonylContact O-C 3.3Å; V138-R172 PolarHBondContact O-N 2.82Å; V170-R172 PolarHBondContact O-N 3.46Å; V170-R172 VanDerWaalsContact O-N 3.15Å
173	P	98.5	Very high	98	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.026	27%	0.271	C	S	.	.			trans	-54.2	147.5	166.6	-26.1	37.3	0	0	0	111.9	V142 L161 F177 I178	V142-P173 HydrophobicContact CB-CG 4.03Å; V142-P173 HydrophobicContact CG1-CG 3.51Å; L161-P173 HydrophobicContact CD2-CG 3.84Å; P173-F177 HydrophobicContact CB-CB 4.17Å; P173-I178 HydrophobicContact CB-CG1 3.95Å
174	N	98.6	Very high	98	Very high	27 Å²	27	51.5 Å²	51.5	14%	0.144	26%	0.262	C	S	.	.			trans	-65.5	159.4	171.5	76.2	54.4	0	0	0	110.7	D103 P105 S139 G176 F177 I178	D103-N174 PolarHBondContact OD1-ND2 3.03Å; P105-N174 WeakPolarHBondContact CA-OD1 3.37Å; P105-N174 HydrophobicContact CG-CB 4.31Å; S139-N174 PolarHBondContact OG-N 3.2Å; N174-G176 VanDerWaalsContact C-N 3.26Å; N174-G176 PolarHBondContact O-N 3.04Å; N174-G176 PolarHBondContact OD1-N 2.95Å; N174-F177 WeakPolarHBondContact ND2-CD2 3.45Å; N174-F177 WeakPolarHBondContact ND2-CE2 3.18Å; N174-F177 WeakPolarHBondContact ND2-CZ 3.21Å; N174-F177 PolarHBondContact O-N 3.28Å; N174-F177 VanDerWaalsContact O-N 3.13Å; N174-F177 PolarHBondContact OD1-N 3.32Å; N174-I178 PolarHBondContact O-N 3Å
175	A	98.4	Very high	98	Very high	77 Å²	77	52.6 Å²	52.6	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-31.7	-173.1	0	0	0	0	0	113.9	I178 K179	A175-I178 PolarHBondContact O-N 2.89Å; A175-K179 PolarHBondContact O-N 2.87Å
176	G	98.7	Very high	97.9	Very high	13 Å²	13	52.3 Å²	52.3	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-68.5	-38.9	176.8	0	0	0	0	0	112.5	P105 N174 K179 Q180	P105-G176 WeakPolarHBondContact O-CA 3.33Å; N174-G176 VanDerWaalsContact C-N 3.26Å; N174-G176 PolarHBondContact O-N 3.04Å; N174-G176 PolarHBondContact OD1-N 2.95Å; G176-K179 PolarHBondContact O-N 3.07Å; G176-Q180 WeakPolarHBondContact O-CG 3.38Å; G176-Q180 PolarHBondContact O-N 3.29Å; G176-Q180 PolarHBondContact O-NE2 2.76Å
177	F	98.7	Very high	97.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-36.6	173.9	-64.1	-9.9	0	0	0	112.4	I102 L104 E107 I109 S139 R140 P173 N174 K179 Q180 L181	I102-F177 WeakPolarHBondContact O-CZ 3.28Å; L104-F177 WeakPolarHBondContact O-CE1 3.4Å; E107-F177 HydrophobicContact CB-CE1 3.98Å; E107-F177 HydrophobicContact CB-CZ 4.27Å; I109-F177 HydrophobicContact CB-CD1 3.92Å; I109-F177 HydrophobicContact CB-CE1 3.72Å; I109-F177 HydrophobicContact CB-CZ 4.2Å; I109-F177 HydrophobicContact CD1-CD1 4.43Å; I109-F177 HydrophobicContact CD1-CD2 3.98Å; I109-F177 HydrophobicContact CD1-CE1 4.25Å; I109-F177 HydrophobicContact CD1-CE2 3.82Å; I109-F177 HydrophobicContact CD1-CG 4.3Å; I109-F177 HydrophobicContact CD1-CZ 3.94Å; I109-F177 HydrophobicContact CG2-CB 4.25Å; I109-F177 HydrophobicContact CG2-CD1 3.31Å; I109-F177 HydrophobicContact CG2-CE1 3.68Å; I109-F177 HydrophobicContact CG2-CG 3.79Å; I109-F177 HydrophobicContact CG2-CZ 4.44Å; S139-F177 WeakPolarHBondContact OG-CD2 3.5Å; R140-F177 HydrophobicContact CB-CE2 4.5Å; R140-F177 HydrophobicContact CG-CE2 3.55Å; R140-F177 HydrophobicContact CG-CZ 4.08Å; P173-F177 HydrophobicContact CB-CB 4.17Å; N174-F177 WeakPolarHBondContact ND2-CD2 3.45Å; N174-F177 WeakPolarHBondContact ND2-CE2 3.18Å; N174-F177 WeakPolarHBondContact ND2-CZ 3.21Å; N174-F177 PolarHBondContact O-N 3.28Å; N174-F177 VanDerWaalsContact O-N 3.13Å; N174-F177 PolarHBondContact OD1-N 3.32Å; F177-K179 VanDerWaalsContact C-N 3.33Å; F177-K179 PolarHBondContact O-N 3.24Å; F177-Q180 PolarHBondContact O-N 3.07Å; F177-L181 WeakPolarHBondContact O-CB 3.03Å; F177-L181 VanDerWaalsContact O-CG 3.25Å; F177-L181 WeakPolarHBondContact O-CG 3.03Å; F177-L181 PolarHBondContact O-N 2.95Å
178	I	98.8	Very high	97.6	Very high	46 Å²	46	47.9 Å²	47.9	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-43.9	173.1	-63.1	176.2	0	0	0	110.4	L161 P173 N174 A175 L181 M182	L161-I178 HydrophobicContact CD1-CG1 4.42Å; P173-I178 HydrophobicContact CB-CG1 3.95Å; N174-I178 PolarHBondContact O-N 3Å; A175-I178 PolarHBondContact O-N 2.89Å; I178-L181 PolarHBondContact O-N 3.43Å; I178-M182 HydrophobicContact CG2-CE 3.83Å; I178-M182 HydrophobicContact CG2-SD 4.34Å; I178-M182 WeakPolarHBondContact O-CG 3.26Å; I178-M182 PolarHBondContact O-N 3.05Å
179	K	98.7	Very high	97.3	Very high	134 Å²	134	53.6 Å²	53.6	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-60.3	-50.2	174.4	-172.8	-167.8	170.1	-168.5	0	111.4	A175 G176 F177 L181 M182 D183	A175-K179 PolarHBondContact O-N 2.87Å; G176-K179 PolarHBondContact O-N 3.07Å; F177-K179 VanDerWaalsContact C-N 3.33Å; F177-K179 PolarHBondContact O-N 3.24Å; K179-L181 VanDerWaalsContact C-N 3.26Å; K179-L181 PolarHBondContact O-N 3.41Å; K179-M182 WeakPolarHBondContact O-CA 3.31Å; K179-M182 WeakPolarHBondContact O-CB 3.48Å; K179-M182 PolarHBondContact O-N 3.4Å; K179-D183 PolarHBondContact O-N 3.38Å
180	Q	98.7	Very high	96.6	Very high	25 Å²	25	54.5 Å²	54.5	12%	0.117	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-32.9	179.4	-77.2	175.5	64.7	0	0	113.3	E107 I109 K110 G176 F177 Y184	E107-Q180 PolarHBondContact O-NE2 3.46Å; E107-Q180 PolarHBondContact O-OE1 3.44Å; I109-Q180 HydrophobicContact CG2-CB 4.36Å; K110-Q180 HydrophobicContact CB-CB 4.12Å; K110-Q180 HydrophobicContact CB-CG 4.29Å; G176-Q180 WeakPolarHBondContact O-CG 3.38Å; G176-Q180 PolarHBondContact O-N 3.29Å; G176-Q180 PolarHBondContact O-NE2 2.76Å; F177-Q180 PolarHBondContact O-N 3.07Å; Q180-Y184 WeakPolarHBondContact O-CB 3.46Å; Q180-Y184 PolarHBondContact O-N 3.47Å
181	L	98.8	Very high	95	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-41.6	171.3	-77.3	164.8	0	0	0	112.1	F113 C146 A147 V157 F177 I178 K179 Y184 E185	F113-L181 HydrophobicContact CE1-CD2 4.27Å; F113-L181 HydrophobicContact CE2-CD2 3.75Å; F113-L181 HydrophobicContact CE2-CG 4.14Å; F113-L181 HydrophobicContact CZ-CD2 3.54Å; F113-L181 HydrophobicContact CZ-CG 3.82Å; C146-L181 HydrophobicContact CB-CD1 4.03Å; C146-L181 HydrophobicContact CB-CD2 4.02Å; A147-L181 HydrophobicContact CB-CD2 3.85Å; V157-L181 HydrophobicContact CG1-CB 3.93Å; V157-L181 HydrophobicContact CG2-CB 3.83Å; V157-L181 WeakPolarHBondContact CG2-O 3.45Å; F177-L181 WeakPolarHBondContact O-CB 3.03Å; F177-L181 VanDerWaalsContact O-CG 3.25Å; F177-L181 WeakPolarHBondContact O-CG 3.03Å; F177-L181 PolarHBondContact O-N 2.95Å; I178-L181 PolarHBondContact O-N 3.43Å; K179-L181 VanDerWaalsContact C-N 3.26Å; K179-L181 PolarHBondContact O-N 3.41Å; L181-Y184 PolarHBondContact O-N 2.86Å; L181-E185 WeakPolarHBondContact O-CB 3.45Å; L181-E185 PolarHBondContact O-N 3.48Å
182	M	98.3	Very high	94.9	Very high	84 Å²	84	64.2 Å²	64.2	41%	0.414	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-42.4	175.3	-68.5	172.3	173.3	0	0	111.6	V157 I178 K179 Y184 E185 V186	V157-M182 HydrophobicContact CG1-CG 4.36Å; I178-M182 HydrophobicContact CG2-CE 3.83Å; I178-M182 HydrophobicContact CG2-SD 4.34Å; I178-M182 WeakPolarHBondContact O-CG 3.26Å; I178-M182 PolarHBondContact O-N 3.05Å; K179-M182 WeakPolarHBondContact O-CA 3.31Å; K179-M182 WeakPolarHBondContact O-CB 3.48Å; K179-M182 PolarHBondContact O-N 3.4Å; M182-Y184 VanDerWaalsContact C-N 3.28Å; M182-Y184 PolarHBondContact O-N 3.4Å; M182-E185 PolarHBondContact O-N 3.4Å; M182-V186 WeakPolarHBondContact O-CG2 3.42Å; M182-V186 PolarHBondContact O-N 2.97Å; M182-V186 VanDerWaalsContact O-N 3.08Å
183	D	98.2	Very high	94.7	Very high	62 Å²	62	61.9 Å²	61.9	33%	0.332	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-42.8	174.2	-63.2	-24.6	0	0	0	110.3	K110 K179 V186 E187	K110-D183 HydrophobicContact CD-CB 4.24Å; K179-D183 PolarHBondContact O-N 3.38Å; D183-V186 PolarHBondContact O-N 3.39Å; D183-E187 WeakPolarHBondContact O-CG 3.22Å; D183-E187 PolarHBondContact O-N 2.86Å
184	Y	98.1	Very high	94.5	Very high	12 Å²	12	65.2 Å²	65.2	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-66.3	-40.7	175.2	-175.7	-116.2	0	0	0	113.3	F113 A147 K151 Q180 L181 M182 V186 E187 I188	F113-Y184 HydrophobicContact CB-CD1 4.49Å; F113-Y184 HydrophobicContact CB-CD2 4.33Å; F113-Y184 HydrophobicContact CB-CE1 4.15Å; F113-Y184 HydrophobicContact CB-CE2 3.96Å; F113-Y184 AromaticContact CD2-CD1 3.77Å; F113-Y184 HydrophobicContact CD2-CD1 3.77Å; F113-Y184 AromaticContact CD2-CD2 3.97Å; F113-Y184 HydrophobicContact CD2-CD2 3.97Å; F113-Y184 HydrophobicContact CD2-CE1 4.24Å; F113-Y184 HydrophobicContact CD2-CE2 4.43Å; F113-Y184 AromaticContact CD2-CG 3.6Å; F113-Y184 HydrophobicContact CD2-CG 3.6Å; F113-Y184 HydrophobicContact CE2-CD1 4.43Å; F113-Y184 HydrophobicContact CE2-CG 4.28Å; F113-Y184 HydrophobicContact CG-CD1 4.49Å; A147-Y184 HydrophobicContact CB-CD1 4.14Å; A147-Y184 HydrophobicContact CB-CE1 3.9Å; K151-Y184 HydrophobicContact CB-CE1 4.41Å; K151-Y184 WeakPolarHBondContact CD-OH 3.35Å; Q180-Y184 WeakPolarHBondContact O-CB 3.46Å; Q180-Y184 PolarHBondContact O-N 3.47Å; L181-Y184 PolarHBondContact O-N 2.86Å; M182-Y184 VanDerWaalsContact C-N 3.28Å; M182-Y184 PolarHBondContact O-N 3.4Å; Y184-V186 PolarHBondContact O-N 3.48Å; Y184-E187 PolarHBondContact O-N 3.36Å; Y184-I188 HydrophobicContact CD1-CG2 4.43Å; Y184-I188 HydrophobicContact CD2-CG2 4.03Å; Y184-I188 HydrophobicContact CE1-CG2 4.12Å; Y184-I188 HydrophobicContact CE2-CG2 3.69Å; Y184-I188 HydrophobicContact CG-CG2 4.41Å; Y184-I188 WeakPolarHBondContact O-CG1 3.37Å; Y184-I188 PolarHBondContact O-N 2.87Å
185	E	98.1	Very high	94.2	Very high	23 Å²	23	67.4 Å²	67.4	11%	0.107	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-35.8	175	-178.8	177.7	-176.3	0	0	112.1	V150 S156 V157 L181 M182 R189	V150-E185 HydrophobicContact CG1-CB 4.02Å; V150-E185 HydrophobicContact CG1-CG 4.12Å; S156-E185 WeakPolarHBondContact CA-OE1 3.44Å; S156-E185 WeakPolarHBondContact CB-OE1 3.35Å; V157-E185 WeakPolarHBondContact CB-OE2 3.24Å; V157-E185 HydrophobicContact CG2-CB 3.89Å; V157-E185 HydrophobicContact CG2-CG 4.41Å; V157-E185 WeakPolarHBondContact CG2-OE2 3.21Å; V157-E185 PolarHBondContact N-OE1 2.89Å; V157-E185 PolarHBondContact N-OE2 2.77Å; L181-E185 WeakPolarHBondContact O-CB 3.45Å; L181-E185 PolarHBondContact O-N 3.48Å; M182-E185 PolarHBondContact O-N 3.4Å; E185-R189 WeakPolarHBondContact O-CB 3.32Å; E185-R189 VanDerWaalsContact O-CG 3.32Å; E185-R189 WeakPolarHBondContact O-CG 3.43Å; E185-R189 IonicContact OE1-CZ 2.69Å; E185-R189 IonicContact OE1-NH1 2.61Å; E185-R189 PolarHBondContact OE1-NH1 3.15Å; E185-R189 IonicContact OE1-NH2 2.88Å; E185-R189 PolarHBondContact OE1-NH2 3.26Å
186	V	97.4	Very high	94	Very high	86 Å²	86	66.8 Å²	66.8	52%	0.521	34%	0.341	S	S	.	.	H	α-helix	trans	-72.2	-45.8	173.9	173.7	0	0	0	0	110.9	M182 D183 Y184 I188 R189 N190	M182-V186 WeakPolarHBondContact O-CG2 3.42Å; M182-V186 PolarHBondContact O-N 2.97Å; M182-V186 VanDerWaalsContact O-N 3.08Å; D183-V186 PolarHBondContact O-N 3.39Å; Y184-V186 PolarHBondContact O-N 3.48Å; V186-I188 PolarHBondContact O-N 2.86Å; V186-R189 PolarHBondContact O-N 3.26Å; V186-N190 WeakPolarHBondContact CG1-ND2 3.18Å; V186-N190 PolarHBondContact O-N 3.47Å; V186-N190 PolarHBondContact O-ND2 3.38Å
187	E	95.8	Very high	93.7	Very high	93 Å²	93	70.4 Å²	70.4	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-57.3	-49.6	178.7	-76.6	167.3	177.8	0	0	112.2	K110 D183 Y184 R189 N190	K110-E187 IonicContact NZ-OE1 3.86Å; K110-E187 PolarHBondContact NZ-OE1 3.29Å; K110-E187 IonicContact NZ-OE2 2.7Å; K110-E187 PolarHBondContact NZ-OE2 3.41Å; K110-E187 VanDerWaalsContact NZ-OE2 3.14Å; D183-E187 WeakPolarHBondContact O-CG 3.22Å; D183-E187 PolarHBondContact O-N 2.86Å; Y184-E187 PolarHBondContact O-N 3.36Å; E187-R189 VanDerWaalsContact C-N 3.26Å; E187-R189 PolarHBondContact O-N 2.97Å; E187-N190 PolarHBondContact O-N 2.8Å
188	I	93.5	Very high	93.3	Very high	47 Å²	47	75.4 Å²	75.4	24%	0.241	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.4	-175.9	69	155.3	0	0	0	114.9	V150 K151 Y184 V186	V150-I188 HydrophobicContact CG1-CD1 3.66Å; V150-I188 HydrophobicContact CG1-CG1 4.42Å; K151-I188 HydrophobicContact CB-CD1 4.12Å; Y184-I188 HydrophobicContact CD1-CG2 4.43Å; Y184-I188 HydrophobicContact CD2-CG2 4.03Å; Y184-I188 HydrophobicContact CE1-CG2 4.12Å; Y184-I188 HydrophobicContact CE2-CG2 3.69Å; Y184-I188 HydrophobicContact CG-CG2 4.41Å; Y184-I188 WeakPolarHBondContact O-CG1 3.37Å; Y184-I188 PolarHBondContact O-N 2.87Å; V186-I188 PolarHBondContact O-N 2.86Å
189	R	89.5	Confident	92.9	Very high	135 Å²	135	77.7 Å²	77.7	51%	0.509	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-11.7	178.6	-75.6	-175.6	-178.5	150.9	12.4	113.7	F155 E185 V186 E187 V191	F155-R189 PolarHBondContact O-NH2 3.32Å; E185-R189 WeakPolarHBondContact O-CB 3.32Å; E185-R189 VanDerWaalsContact O-CG 3.32Å; E185-R189 WeakPolarHBondContact O-CG 3.43Å; E185-R189 IonicContact OE1-CZ 2.69Å; E185-R189 IonicContact OE1-NH1 2.61Å; E185-R189 PolarHBondContact OE1-NH1 3.15Å; E185-R189 IonicContact OE1-NH2 2.88Å; E185-R189 PolarHBondContact OE1-NH2 3.26Å; V186-R189 PolarHBondContact O-N 3.26Å; E187-R189 VanDerWaalsContact C-N 3.26Å; E187-R189 PolarHBondContact O-N 2.97Å; R189-V191 VanDerWaalsContact C-N 3.35Å
190	N	81	Confident	92.4	Very high	129 Å²	129	73 Å²	73	69%	0.69	38%	0.375	S	S	*	.			trans	-98.4	14.8	176.1	-66.9	-34.9	0	0	0	112.2	V186 E187	V186-N190 WeakPolarHBondContact CG1-ND2 3.18Å; V186-N190 PolarHBondContact O-N 3.47Å; V186-N190 PolarHBondContact O-ND2 3.38Å; E187-N190 PolarHBondContact O-N 2.8Å
191	V	61.5	Low	91.8	Very high	179 Å²	179	77.4 Å²	77.4	100%	1.085	40%	0.399	S	S	*	.			trans	-128.4	0	179.6	-179.2	0	0	0	0	109.1	R189	R189-V191 VanDerWaalsContact C-N 3.35Å

Retrieved 191 of 191 residues in 170.9 ms (Link to these results)

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