A0A077ZAR3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZAR3, 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	44.2	Very low	36.7	Very low	243 Å²	243	147.7 Å²	147.7	100%	1.197	71%	0.71	S	S	*	*				0	45.3	0	-149.4	171.9	-172.2	0	0	111.5
2	M	38.1	Very low	37	Very low	164 Å²	164	141.3 Å²	141.3	81%	0.808	69%	0.689	S	S	*	*			trans	-119.7	-9.3	-176.5	-84.6	-165.5	-104.2	0	0	114.4
3	R	34.8	Very low	37.2	Very low	228 Å²	228	133.2 Å²	133.2	86%	0.86	66%	0.658	S	S	*	*	H	α-helix	trans	-70.9	-32.7	-175.7	-100.1	-179.3	174.4	174.4	-2.4	114.2
4	K	35.4	Very low	37.5	Very low	180 Å²	180	130.4 Å²	130.4	78%	0.783	65%	0.647	S	S	*	*	H	α-helix	trans	-76	-26.7	-178	-76	-172.4	173.9	-175.4	0	113.9
5	S	33.5	Very low	37.9	Very low	75 Å²	75	133.9 Å²	133.9	52%	0.524	65%	0.65	S	S	.	*	H	α-helix	trans	-77.9	-23.1	179	-48.1	0	0	0	0	112.8	I9	S5-I9 WeakPolarHBondContact O-CG1 3.43Å
6	F	32.4	Very low	38.4	Very low	148 Å²	148	130.3 Å²	130.3	65%	0.649	64%	0.638	S	S	*	*	H	α-helix	trans	-72.6	-40.1	178.3	-118	-98.7	0	0	0	111.8	I9 L10	F6-I9 PolarHBondContact O-N 3.31Å; F6-L10 HydrophobicContact CD1-CD1 3.44Å; F6-L10 VanDerWaalsContact CD1-CD1 3.44Å; F6-L10 HydrophobicContact CE1-CD1 3.65Å; F6-L10 HydrophobicContact CG-CD1 4.39Å; F6-L10 PolarHBondContact O-N 3.49Å; F6-L10 VanDerWaalsContact O-N 3.14Å
7	E	34.6	Very low	38.7	Very low	138 Å²	138	127.8 Å²	127.8	65%	0.645	62%	0.62	S	S	*	*	H	α-helix	trans	-70.8	-33.3	177.9	-69.7	-170.5	169.6	0	0	113.1	I9 L11	E7-I9 PolarHBondContact O-N 3.04Å; E7-L11 HydrophobicContact CB-CD1 4.37Å; E7-L11 PolarHBondContact O-N 2.92Å
8	L	35.6	Very low	39	Very low	138 Å²	138	128.2 Å²	128.2	72%	0.723	62%	0.621	S	S	*	*	H	α-helix	trans	-69.7	-18.5	179.5	-107.2	121.7	0	0	0	114.1
9	I	39.4	Very low	39.2	Very low	113 Å²	113	128.1 Å²	128.1	58%	0.579	62%	0.623	S	S	*	*	H	α-helix	trans	-107.1	-38.2	-176.7	-58.4	174	0	0	0	111.3	S5 F6 E7 A13	S5-I9 WeakPolarHBondContact O-CG1 3.43Å; F6-I9 PolarHBondContact O-N 3.31Å; E7-I9 PolarHBondContact O-N 3.04Å; I9-A13 WeakPolarHBondContact O-CB 3.41Å; I9-A13 PolarHBondContact O-N 3.2Å
10	L	36.7	Very low	39.4	Very low	87 Å²	87	126.4 Å²	126.4	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-75	-38.2	-177	-100.8	108.9	0	0	0	114.1	F6 A13 L14	F6-L10 HydrophobicContact CD1-CD1 3.44Å; F6-L10 VanDerWaalsContact CD1-CD1 3.44Å; F6-L10 HydrophobicContact CE1-CD1 3.65Å; F6-L10 HydrophobicContact CG-CD1 4.39Å; F6-L10 PolarHBondContact O-N 3.49Å; F6-L10 VanDerWaalsContact O-N 3.14Å; L10-A13 PolarHBondContact O-N 3.36Å; L10-L14 HydrophobicContact CD2-CD1 4.38Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 PolarHBondContact O-N 3.43Å
11	L	39.4	Very low	39.5	Very low	111 Å²	111	123.3 Å²	123.3	58%	0.581	61%	0.61	S	S	*	*	H	α-helix	trans	-64.8	-43.4	-177.3	-91.7	145.8	0	0	0	113.4	E7 R15	E7-L11 HydrophobicContact CB-CD1 4.37Å; E7-L11 PolarHBondContact O-N 2.92Å; L11-R15 PolarHBondContact O-N 3Å; L11-R15 VanDerWaalsContact O-N 3.15Å
12	P	39.7	Very low	39.5	Very low	71 Å²	71	118.9 Å²	118.9	46%	0.461	59%	0.591	S	S	.	*	H	α-helix	trans	-67.2	-37	172.8	-19.8	32	0	0	0	112.5	R15 V16	P12-R15 PolarHBondContact O-N 3.5Å; P12-V16 WeakPolarHBondContact O-CB 3.46Å; P12-V16 VanDerWaalsContact O-CG2 3.25Å; P12-V16 WeakPolarHBondContact O-CG2 3.48Å; P12-V16 PolarHBondContact O-N 3.41Å
13	A	40	Very low	39.6	Very low	35 Å²	35	119 Å²	119	29%	0.289	59%	0.588	S	S	.	*	H	α-helix	trans	-65.5	-39.6	178.9	0	0	0	0	0	112.1	I9 L10 V16 Y17 L61	I9-A13 WeakPolarHBondContact O-CB 3.41Å; I9-A13 PolarHBondContact O-N 3.2Å; L10-A13 PolarHBondContact O-N 3.36Å; A13-V16 PolarHBondContact O-N 3.4Å; A13-Y17 WeakPolarHBondContact O-CB 3.44Å; A13-Y17 PolarHBondContact O-N 3.44Å; A13-L61 HydrophobicContact CB-CD2 4.09Å
14	L	40.8	Very low	39.8	Very low	95 Å²	95	112.9 Å²	112.9	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-65.8	-42.5	174	-85.3	156.8	0	0	0	112.3	L10 V16 Y17 E18	L10-L14 HydrophobicContact CD2-CD1 4.38Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 PolarHBondContact O-N 3.43Å; L14-V16 VanDerWaalsContact C-N 3.34Å; L14-V16 PolarHBondContact O-N 3.23Å; L14-Y17 WeakPolarHBondContact O-CB 3.32Å; L14-Y17 PolarHBondContact O-N 3.16Å; L14-E18 PolarHBondContact O-N 2.89Å
15	R	44	Very low	40.3	Very low	183 Å²	183	111.4 Å²	111.4	69%	0.691	57%	0.57	S	S	*	*	H	α-helix	trans	-65	-36.8	174.9	-86.9	-167.9	175.5	-178.1	0.2	113.2	L11 P12 Y17 L19	L11-R15 PolarHBondContact O-N 3Å; L11-R15 VanDerWaalsContact O-N 3.15Å; P12-R15 PolarHBondContact O-N 3.5Å; R15-Y17 VanDerWaalsContact C-N 3.34Å; R15-L19 WeakPolarHBondContact O-CB 3.22Å; R15-L19 PolarHBondContact O-N 3.27Å
16	V	45.7	Very low	41	Very low	76 Å²	76	114 Å²	114	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-69.2	-37	174.8	172	0	0	0	0	110.3	P12 A13 L14 L19 M20	P12-V16 WeakPolarHBondContact O-CB 3.46Å; P12-V16 VanDerWaalsContact O-CG2 3.25Å; P12-V16 WeakPolarHBondContact O-CG2 3.48Å; P12-V16 PolarHBondContact O-N 3.41Å; A13-V16 PolarHBondContact O-N 3.4Å; L14-V16 VanDerWaalsContact C-N 3.34Å; L14-V16 PolarHBondContact O-N 3.23Å; V16-L19 PolarHBondContact O-N 3.33Å; V16-M20 HydrophobicContact CG1-CE 3.54Å; V16-M20 HydrophobicContact CG1-CG 4.26Å; V16-M20 HydrophobicContact CG1-SD 4.49Å; V16-M20 WeakPolarHBondContact O-CB 3.44Å; V16-M20 VanDerWaalsContact O-CG 3.28Å; V16-M20 WeakPolarHBondContact O-CG 3.28Å; V16-M20 PolarHBondContact O-N 3.08Å
17	Y	43.4	Very low	41.5	Very low	87 Å²	87	113 Å²	113	34%	0.341	57%	0.573	S	S	.	*	H	α-helix	trans	-63	-47.2	173.6	-177.3	-94.8	0	0	0	112	A13 L14 R15 L19 M20 A21 A65	A13-Y17 WeakPolarHBondContact O-CB 3.44Å; A13-Y17 PolarHBondContact O-N 3.44Å; L14-Y17 WeakPolarHBondContact O-CB 3.32Å; L14-Y17 PolarHBondContact O-N 3.16Å; R15-Y17 VanDerWaalsContact C-N 3.34Å; Y17-L19 VanDerWaalsContact C-N 3.29Å; Y17-L19 PolarHBondContact O-N 3.07Å; Y17-M20 PolarHBondContact O-N 2.8Å; Y17-A21 HydrophobicContact CE1-CB 4.49Å; Y17-A21 WeakPolarHBondContact O-CB 3.45Å; Y17-A21 PolarHBondContact O-N 3.23Å; Y17-A65 HydrophobicContact CD2-CB 4.44Å
18	E	44.6	Very low	42.2	Very low	135 Å²	135	108.4 Å²	108.4	63%	0.631	56%	0.563	S	S	*	*	H	α-helix	trans	-58.7	-40.6	173.6	-75.3	179.5	161.5	0	0	111.7	L14 D22	L14-E18 PolarHBondContact O-N 2.89Å; E18-D22 PolarHBondContact O-N 3.11Å
19	L	42.9	Very low	42.6	Very low	126 Å²	126	103.9 Å²	103.9	66%	0.66	54%	0.542	S	S	*	.	H	α-helix	trans	-69.7	-30.4	177.3	-118.4	109.1	0	0	0	114.1	R15 V16 Y17	R15-L19 WeakPolarHBondContact O-CB 3.22Å; R15-L19 PolarHBondContact O-N 3.27Å; V16-L19 PolarHBondContact O-N 3.33Å; Y17-L19 VanDerWaalsContact C-N 3.29Å; Y17-L19 PolarHBondContact O-N 3.07Å
20	M	42.7	Very low	42.9	Very low	95 Å²	95	103.3 Å²	103.3	47%	0.468	54%	0.54	S	S	.	.	H	α-helix	trans	-87.3	-34.5	179.6	-70.7	-153.5	-161.1	0	0	112.3	V16 Y17 D22 K23 M24	V16-M20 HydrophobicContact CG1-CE 3.54Å; V16-M20 HydrophobicContact CG1-CG 4.26Å; V16-M20 HydrophobicContact CG1-SD 4.49Å; V16-M20 WeakPolarHBondContact O-CB 3.44Å; V16-M20 VanDerWaalsContact O-CG 3.28Å; V16-M20 WeakPolarHBondContact O-CG 3.28Å; V16-M20 PolarHBondContact O-N 3.08Å; Y17-M20 PolarHBondContact O-N 2.8Å; M20-D22 VanDerWaalsContact C-N 3.27Å; M20-D22 PolarHBondContact O-N 3.48Å; M20-K23 PolarHBondContact O-N 2.9Å; M20-M24 PolarHBondContact O-N 3.08Å; M20-M24 VanDerWaalsContact O-N 3.07Å
21	A	42.2	Very low	43.4	Very low	62 Å²	62	104.6 Å²	104.6	51%	0.512	54%	0.543	S	S	.	.	H	α-helix	trans	-64.4	-32.9	177.1	0	0	0	0	0	112	Y17 K23	Y17-A21 HydrophobicContact CE1-CB 4.49Å; Y17-A21 WeakPolarHBondContact O-CB 3.45Å; Y17-A21 PolarHBondContact O-N 3.23Å; A21-K23 VanDerWaalsContact C-N 3.26Å; A21-K23 PolarHBondContact O-N 3.32Å
22	D	43.1	Very low	43.8	Very low	149 Å²	149	104.5 Å²	104.5	80%	0.797	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.2	178.4	-150	34.6	0	0	0	113.3	E18 M20	E18-D22 PolarHBondContact O-N 3.11Å; M20-D22 VanDerWaalsContact C-N 3.27Å; M20-D22 PolarHBondContact O-N 3.48Å
23	K	41.4	Very low	44.1	Very low	168 Å²	168	102.2 Å²	102.2	73%	0.73	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	-6	-170	-73.1	-163.9	176.6	-174.7	0	117.4	M20 A21	M20-K23 PolarHBondContact O-N 2.9Å; A21-K23 VanDerWaalsContact C-N 3.26Å; A21-K23 PolarHBondContact O-N 3.32Å
24	M	38	Very low	44.1	Very low	99 Å²	99	103.1 Å²	103.1	49%	0.488	53%	0.534	S	S	.	.			trans	-132.5	117	-171.5	-63.3	-163.7	-175	0	0	113.7	M20 F26 P29	M20-M24 PolarHBondContact O-N 3.08Å; M20-M24 VanDerWaalsContact O-N 3.07Å; M24-F26 PolarHBondContact O-N 3.01Å; M24-F26 VanDerWaalsContact O-N 3.15Å; M24-P29 HydrophobicContact SD-CG 4.38Å
25	D	45.5	Very low	44.4	Very low	149 Å²	149	105.2 Å²	105.2	80%	0.797	54%	0.539	S	S	*	.			trans	-44.4	117.9	153.7	-70.7	-46.4	0	0	0	109.1	L27 G28	D25-L27 PolarHBondContact O-N 3.45Å; D25-G28 PolarHBondContact O-N 3.24Å; D25-G28 VanDerWaalsContact O-N 3.08Å
26	F	48.3	Very low	44.4	Very low	130 Å²	130	101.4 Å²	101.4	57%	0.57	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-12.4	-170.6	-120.4	-104.4	0	0	0	115.2	M24 A69	M24-F26 PolarHBondContact O-N 3.01Å; M24-F26 VanDerWaalsContact O-N 3.15Å; F26-A69 HydrophobicContact CE1-CB 3.85Å; F26-A69 HydrophobicContact CZ-CB 3.68Å
27	L	43.7	Very low	44.1	Very low	126 Å²	126	103.1 Å²	103.1	66%	0.66	54%	0.536	S	S	*	.	H	α-helix	trans	-76.6	-28.8	178.3	-85.3	136.6	0	0	0	114.4	D25 Q31	D25-L27 PolarHBondContact O-N 3.45Å; L27-Q31 PolarHBondContact O-N 3.43Å
28	G	47.9	Very low	44.2	Very low	42 Å²	42	109.3 Å²	109.3	43%	0.433	56%	0.559	S	S	.	*	H	α-helix	trans	-63.7	-51.2	-174.9	0	0	0	0	0	114.2	D25 L30 Q31 L32	D25-G28 PolarHBondContact O-N 3.24Å; D25-G28 VanDerWaalsContact O-N 3.08Å; G28-L30 PolarHBondContact O-N 3.19Å; G28-Q31 PolarHBondContact O-N 2.96Å; G28-L32 PolarHBondContact O-N 3.02Å; G28-L32 VanDerWaalsContact O-N 3.08Å
29	P	45.2	Very low	44.2	Very low	43 Å²	43	113.2 Å²	113.2	28%	0.279	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-35.8	-178.6	-23.4	34.6	0	0	0	113.9	M24 L32 A33	M24-P29 HydrophobicContact SD-CG 4.38Å; P29-L32 PolarHBondContact O-N 3.38Å; P29-A33 WeakPolarHBondContact O-CB 3.41Å; P29-A33 PolarHBondContact O-N 3.39Å
30	L	44.5	Very low	44	Very low	101 Å²	101	109.8 Å²	109.8	53%	0.529	56%	0.563	S	S	.	*	H	α-helix	trans	-67.6	-41.5	177.3	-98.2	152.1	0	0	0	112.3	G28 L32 A33 S34	G28-L30 PolarHBondContact O-N 3.19Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 2.79Å; L30-A33 PolarHBondContact O-N 3.38Å; L30-S34 PolarHBondContact O-N 3.04Å
31	Q	48.8	Very low	43.7	Very low	113 Å²	113	111.8 Å²	111.8	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-65.9	-35.4	172.8	-77	-172.4	-3.1	0	0	112.3	L27 G28 S34 K35	L27-Q31 PolarHBondContact O-N 3.43Å; G28-Q31 PolarHBondContact O-N 2.96Å; Q31-S34 PolarHBondContact O-OG 3.43Å; Q31-K35 WeakPolarHBondContact O-CB 3.39Å; Q31-K35 WeakPolarHBondContact O-CG 2.83Å; Q31-K35 PolarHBondContact O-N 3.47Å
32	L	47.8	Very low	43.3	Very low	109 Å²	109	116.8 Å²	116.8	57%	0.571	60%	0.596	S	S	*	*	H	α-helix	trans	-67.2	-44.6	175.9	-163.4	75.8	0	0	0	111.2	G28 P29 L30 S34 K35 L36	G28-L32 PolarHBondContact O-N 3.02Å; G28-L32 VanDerWaalsContact O-N 3.08Å; P29-L32 PolarHBondContact O-N 3.38Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 2.79Å; L32-S34 PolarHBondContact O-N 3.19Å; L32-K35 PolarHBondContact O-N 3.44Å; L32-L36 HydrophobicContact CG-CD1 4.21Å; L32-L36 WeakPolarHBondContact O-CB 3.19Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.89Å
33	A	44.8	Very low	42.7	Very low	23 Å²	23	119.4 Å²	119.4	19%	0.19	60%	0.6	C	S	.	*	H	α-helix	trans	-61.5	-42.6	176.5	0	0	0	0	0	112	P29 L30 L36 M37	P29-A33 WeakPolarHBondContact O-CB 3.41Å; P29-A33 PolarHBondContact O-N 3.39Å; L30-A33 PolarHBondContact O-N 3.38Å; A33-L36 PolarHBondContact O-N 2.95Å; A33-M37 WeakPolarHBondContact O-CG 3.25Å; A33-M37 PolarHBondContact O-N 3.33Å
34	S	41.6	Very low	42.4	Very low	55 Å²	55	118.2 Å²	118.2	39%	0.385	61%	0.606	S	S	.	*	H	α-helix	trans	-67.5	-37.5	176.9	85.9	0	0	0	0	112.7	L30 Q31 L32 M37 R38	L30-S34 PolarHBondContact O-N 3.04Å; Q31-S34 PolarHBondContact O-OG 3.43Å; L32-S34 PolarHBondContact O-N 3.19Å; S34-M37 PolarHBondContact O-N 3.22Å; S34-R38 WeakPolarHBondContact O-CG 3.49Å; S34-R38 PolarHBondContact O-N 2.91Å
35	K	45.9	Very low	42.1	Very low	139 Å²	139	123.5 Å²	123.5	60%	0.604	63%	0.627	S	S	*	*	H	α-helix	trans	-65.2	-38.8	174	-83.3	179.4	179.4	171.9	0	112.4	Q31 L32 R39	Q31-K35 WeakPolarHBondContact O-CB 3.39Å; Q31-K35 WeakPolarHBondContact O-CG 2.83Å; Q31-K35 PolarHBondContact O-N 3.47Å; L32-K35 PolarHBondContact O-N 3.44Å; K35-R39 PolarHBondContact O-N 3.28Å
36	L	43.9	Very low	41.6	Very low	103 Å²	103	120 Å²	120	54%	0.539	63%	0.625	S	S	.	*	H	α-helix	trans	-69.7	-39	176.8	-72.3	168.2	0	0	0	111.5	L32 A33 R39 G40	L32-L36 HydrophobicContact CG-CD1 4.21Å; L32-L36 WeakPolarHBondContact O-CB 3.19Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.89Å; A33-L36 PolarHBondContact O-N 2.95Å; L36-R39 PolarHBondContact O-N 3.16Å; L36-G40 PolarHBondContact O-N 3.37Å; L36-G40 VanDerWaalsContact O-N 3.16Å
37	M	39.3	Very low	40.8	Very low	112 Å²	112	123.5 Å²	123.5	55%	0.552	64%	0.641	S	S	*	*	H	α-helix	trans	-66.9	-38.8	174.6	-73.7	-156	-75.5	0	0	112.8	A33 S34 R39 G40 F63	A33-M37 WeakPolarHBondContact O-CG 3.25Å; A33-M37 PolarHBondContact O-N 3.33Å; S34-M37 PolarHBondContact O-N 3.22Å; M37-R39 VanDerWaalsContact C-N 3.3Å; M37-R39 PolarHBondContact O-N 2.77Å; M37-G40 PolarHBondContact O-N 3.15Å; M37-F63 HydrophobicContact CE-CE2 3.74Å; M37-F63 HydrophobicContact CE-CZ 3.76Å; M37-F63 HydrophobicContact SD-CE2 4.09Å; M37-F63 HydrophobicContact SD-CZ 4.3Å
38	R	47	Very low	40.6	Very low	216 Å²	216	124.5 Å²	124.5	82%	0.815	65%	0.647	S	S	*	*	H	α-helix	trans	-71	-20.7	177.2	-76	-175.8	-179.9	-174.8	1.8	114.2	S34	S34-R38 WeakPolarHBondContact O-CG 3.49Å; S34-R38 PolarHBondContact O-N 2.91Å
39	R	44.5	Very low	40.1	Very low	217 Å²	217	132.6 Å²	132.6	82%	0.819	67%	0.67	S	S	*	*	H	α-helix	trans	-99.6	-5	177.2	-76	-176.7	172.1	178.3	-2.5	114	K35 L36 M37	K35-R39 PolarHBondContact O-N 3.28Å; L36-R39 PolarHBondContact O-N 3.16Å; M37-R39 VanDerWaalsContact C-N 3.3Å; M37-R39 PolarHBondContact O-N 2.77Å
40	G	37.6	Very low	39.4	Very low	54 Å²	54	137.2 Å²	137.2	56%	0.557	70%	0.697	S	S	*	*			trans	-89.2	1.6	-171	0	0	0	0	0	116.9	L36 M37 M42	L36-G40 PolarHBondContact O-N 3.37Å; L36-G40 VanDerWaalsContact O-N 3.16Å; M37-G40 PolarHBondContact O-N 3.15Å; G40-M42 PolarHBondContact O-N 3.11Å
41	T	35.9	Very low	38.8	Very low	138 Å²	138	141.8 Å²	141.8	85%	0.847	71%	0.713	S	S	*	*			trans	-76.4	52.6	170.2	43	0	0	0	0	111.3
42	M	34.5	Very low	38.1	Very low	167 Å²	167	141.5 Å²	141.5	82%	0.823	72%	0.718	S	S	*	*			trans	-93.7	118.8	171.6	-92.6	-176.3	146.5	0	0	110.1	G40 V44	G40-M42 PolarHBondContact O-N 3.11Å; M42-V44 PolarHBondContact O-N 3.48Å
43	K	30	Very low	37.4	Very low	204 Å²	204	144.5 Å²	144.5	89%	0.887	73%	0.731	S	S	*	*			trans	-29.8	112.2	174.8	-70.9	170.4	173.8	174.3	0	113.7	F45	K43-F45 PolarHBondContact O-N 3.48Å
44	V	35.5	Very low	37.1	Very low	142 Å²	142	149 Å²	149	86%	0.861	76%	0.756	S	S	*	*			trans	-85.8	93.9	166	-177.4	0	0	0	0	108	M42	M42-V44 PolarHBondContact O-N 3.48Å
45	F	31	Very low	36.8	Very low	211 Å²	211	148.7 Å²	148.7	93%	0.925	76%	0.762	S	S	*	*			trans	-139.1	122.2	163.4	-99.9	-89.1	0	0	0	107.5	K43	K43-F45 PolarHBondContact O-N 3.48Å
46	G	35.2	Very low	36.4	Very low	74 Å²	74	149.1 Å²	149.1	76%	0.763	76%	0.764	S	S	*	*	S	Bend	trans	137.5	116.8	170.1	0	0	0	0	0	113.6	D48	G46-D48 PolarHBondContact O-N 3.37Å; G46-D48 VanDerWaalsContact O-N 3.11Å
47	K	31.6	Very low	36	Very low	204 Å²	204	145.8 Å²	145.8	89%	0.887	75%	0.754	S	S	*	*			trans	-50.7	103.9	175.8	-68	163	172.3	174.9	0	111.5
48	D	39.1	Very low	36.1	Very low	147 Å²	147	144.8 Å²	144.8	79%	0.786	75%	0.754	S	S	*	*			trans	-169.2	91.2	154.9	-89	-28.5	0	0	0	109.8	G46 V50	G46-D48 PolarHBondContact O-N 3.37Å; G46-D48 VanDerWaalsContact O-N 3.11Å; D48-V50 PolarHBondContact O-N 3.41Å
49	K	37.7	Very low	35.7	Very low	213 Å²	213	137.8 Å²	137.8	93%	0.926	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	18	-166.9	-80.1	-171.8	174.8	-177.9	0	116.3
50	V	31.8	Very low	35.6	Very low	140 Å²	140	131.9 Å²	131.9	85%	0.848	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-2.4	-170	-171.5	0	0	0	0	115.5	D48	D48-V50 PolarHBondContact O-N 3.41Å
51	K	31.4	Very low	36	Very low	197 Å²	197	133.4 Å²	133.4	86%	0.857	71%	0.714	S	S	*	*	S	Bend	trans	-111.2	12.8	-173.7	-102.9	178.5	178.4	176.4	0	118
52	V	33.6	Very low	36.2	Very low	106 Å²	106	129.3 Å²	129.3	64%	0.642	69%	0.69	S	S	*	*	S	Bend	trans	-119.8	9.3	-171	-162.3	0	0	0	0	114.6
53	M	33.6	Very low	36.5	Very low	172 Å²	172	126.1 Å²	126.1	85%	0.847	67%	0.672	S	S	*	*	H	α-helix	trans	-83.2	-31.4	178	-113.3	177.9	-170.7	0	0	113.8	G57	M53-G57 PolarHBondContact O-N 3.43Å
54	V	38.8	Very low	37.2	Very low	118 Å²	118	122.6 Å²	122.6	72%	0.715	66%	0.657	S	S	*	*	H	α-helix	trans	-71.9	-35.1	-176.1	-173.4	0	0	0	0	111.5	V58	V54-V58 VanDerWaalsContact O-CG2 3.32Å; V54-V58 WeakPolarHBondContact O-CG2 3.17Å; V54-V58 PolarHBondContact O-N 3.08Å
55	G	35.5	Very low	37.4	Very low	48 Å²	48	117.4 Å²	117.4	50%	0.495	63%	0.629	S	S	.	*	H	α-helix	trans	-70.1	-34.4	177.9	0	0	0	0	0	114	V59	G55-V59 WeakPolarHBondContact O-CG2 3.41Å; G55-V59 PolarHBondContact O-N 3.16Å
56	K	36.2	Very low	37.7	Very low	149 Å²	149	108.9 Å²	108.9	65%	0.648	60%	0.595	S	S	*	*	H	α-helix	trans	-73.9	-37.3	176.8	-73.7	-173.2	173.1	-175.6	0	112.2	V59 L60	K56-V59 PolarHBondContact O-N 3.43Å; K56-L60 WeakPolarHBondContact O-CB 3.37Å; K56-L60 WeakPolarHBondContact O-CD1 3.48Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.27Å; K56-L60 PolarHBondContact O-N 2.9Å
57	G	35.4	Very low	37.9	Very low	33 Å²	33	108.1 Å²	108.1	34%	0.34	58%	0.582	S	S	.	*	H	α-helix	trans	-66.1	-41.7	178.1	0	0	0	0	0	113.2	M53 V59 L60 L61	M53-G57 PolarHBondContact O-N 3.43Å; G57-V59 VanDerWaalsContact C-N 3.33Å; G57-V59 PolarHBondContact O-N 3.36Å; G57-L60 PolarHBondContact O-N 3.16Å; G57-L61 WeakPolarHBondContact O-CD1 3.42Å; G57-L61 WeakPolarHBondContact O-CG 3.44Å; G57-L61 PolarHBondContact O-N 3.03Å; G57-L61 VanDerWaalsContact O-N 3.11Å
58	V	41.4	Very low	38.4	Very low	91 Å²	91	105.2 Å²	105.2	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-72.8	-24.8	179.7	178.1	0	0	0	0	112.7	V54 P62	V54-V58 VanDerWaalsContact O-CG2 3.32Å; V54-V58 WeakPolarHBondContact O-CG2 3.17Å; V54-V58 PolarHBondContact O-N 3.08Å; V58-P62 WeakPolarHBondContact O-CD 3.38Å; V58-P62 WeakPolarHBondContact O-CG 3.42Å
59	V	39.8	Very low	38.7	Very low	69 Å²	69	98.8 Å²	98.8	42%	0.418	54%	0.542	S	S	.	.	H	α-helix	trans	-83.6	-30.9	175	175.7	0	0	0	0	111.7	G55 K56 G57 P62	G55-V59 WeakPolarHBondContact O-CG2 3.41Å; G55-V59 PolarHBondContact O-N 3.16Å; K56-V59 PolarHBondContact O-N 3.43Å; G57-V59 VanDerWaalsContact C-N 3.33Å; G57-V59 PolarHBondContact O-N 3.36Å; V59-P62 WeakPolarHBondContact O-CD 3.43Å
60	L	42.2	Very low	39.5	Very low	93 Å²	93	94.3 Å²	94.3	49%	0.487	53%	0.528	S	S	.	.	H	α-helix	trans	-69.8	-35.8	173.6	-76.1	165.3	0	0	0	111.9	K56 G57 F63 F64	K56-L60 WeakPolarHBondContact O-CB 3.37Å; K56-L60 WeakPolarHBondContact O-CD1 3.48Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.27Å; K56-L60 PolarHBondContact O-N 2.9Å; G57-L60 PolarHBondContact O-N 3.16Å; L60-F63 CarbonylContact O-C 3.54Å; L60-F63 WeakPolarHBondContact O-CB 3.39Å; L60-F63 PolarHBondContact O-N 3.06Å; L60-F63 VanDerWaalsContact O-N 3.16Å; L60-F64 HydrophobicContact CB-CD2 4.07Å; L60-F64 HydrophobicContact CB-CE2 4.25Å; L60-F64 HydrophobicContact CD2-CD2 4.49Å; L60-F64 HydrophobicContact CD2-CE2 4.06Å; L60-F64 WeakPolarHBondContact O-CB 3.23Å; L60-F64 VanDerWaalsContact O-CD2 3.23Å; L60-F64 WeakPolarHBondContact O-CD2 3.47Å; L60-F64 PolarHBondContact O-N 3.27Å
61	L	45.2	Very low	40.7	Very low	86 Å²	86	88.2 Å²	88.2	45%	0.45	49%	0.491	S	S	.	.	H	α-helix	trans	-57.7	-48.9	-179.4	-82.4	159.6	0	0	0	115.3	A13 G57 F63 F64 A65	A13-L61 HydrophobicContact CB-CD2 4.09Å; G57-L61 WeakPolarHBondContact O-CD1 3.42Å; G57-L61 WeakPolarHBondContact O-CG 3.44Å; G57-L61 PolarHBondContact O-N 3.03Å; G57-L61 VanDerWaalsContact O-N 3.11Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F64 PolarHBondContact O-N 2.89Å; L61-A65 VanDerWaalsContact O-CB 3.25Å; L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 2.89Å
62	P	40.8	Very low	41.7	Very low	51 Å²	51	82.9 Å²	82.9	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-72.1	-27.3	174.1	26.7	-32.2	0	0	0	111.8	V58 V59 C66	V58-P62 WeakPolarHBondContact O-CD 3.38Å; V58-P62 WeakPolarHBondContact O-CG 3.42Å; V59-P62 WeakPolarHBondContact O-CD 3.43Å; P62-C66 WeakPolarHBondContact O-CB 3.37Å; P62-C66 PolarHBondContact O-N 2.91Å; P62-C66 PolarHBondContact O-SG 3.18Å
63	F	41.1	Very low	42.6	Very low	101 Å²	101	79.6 Å²	79.6	44%	0.443	46%	0.459	S	S	.	.	H	α-helix	trans	-67.8	-39.9	171.9	-115.5	-88.3	0	0	0	112	M37 L60 L61 A67	M37-F63 HydrophobicContact CE-CE2 3.74Å; M37-F63 HydrophobicContact CE-CZ 3.76Å; M37-F63 HydrophobicContact SD-CE2 4.09Å; M37-F63 HydrophobicContact SD-CZ 4.3Å; L60-F63 CarbonylContact O-C 3.54Å; L60-F63 WeakPolarHBondContact O-CB 3.39Å; L60-F63 PolarHBondContact O-N 3.06Å; L60-F63 VanDerWaalsContact O-N 3.16Å; L61-F63 VanDerWaalsContact C-N 3.32Å; F63-A67 VanDerWaalsContact O-CB 3.24Å; F63-A67 WeakPolarHBondContact O-CB 3.39Å; F63-A67 PolarHBondContact O-N 3.32Å
64	F	44.2	Very low	43.4	Very low	129 Å²	129	76.1 Å²	76.1	57%	0.566	44%	0.443	S	S	*	.	H	α-helix	trans	-73.2	-37.9	173.6	-86.8	-73.6	0	0	0	111.5	L60 L61 A67 L68	L60-F64 HydrophobicContact CB-CD2 4.07Å; L60-F64 HydrophobicContact CB-CE2 4.25Å; L60-F64 HydrophobicContact CD2-CD2 4.49Å; L60-F64 HydrophobicContact CD2-CE2 4.06Å; L60-F64 WeakPolarHBondContact O-CB 3.23Å; L60-F64 VanDerWaalsContact O-CD2 3.23Å; L60-F64 WeakPolarHBondContact O-CD2 3.47Å; L60-F64 PolarHBondContact O-N 3.27Å; L61-F64 PolarHBondContact O-N 2.89Å; F64-A67 CarbonylContact O-C 3.51Å; F64-A67 PolarHBondContact O-N 2.82Å; F64-L68 VanDerWaalsContact O-CB 3.26Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CD1 3.38Å; F64-L68 WeakPolarHBondContact O-CG 3.35Å; F64-L68 PolarHBondContact O-N 3.15Å
65	A	39.2	Very low	43.9	Very low	33 Å²	33	75.3 Å²	75.3	27%	0.273	43%	0.43	S	S	.	.	H	α-helix	trans	-67.4	-36.8	174.1	0	0	0	0	0	111.6	Y17 L61 L68 A69	Y17-A65 HydrophobicContact CD2-CB 4.44Å; L61-A65 VanDerWaalsContact O-CB 3.25Å; L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 2.89Å; A65-L68 PolarHBondContact O-N 3.29Å; A65-A69 WeakPolarHBondContact O-CB 3.33Å; A65-A69 PolarHBondContact O-N 3.45Å
66	C	37.8	Very low	44.8	Very low	32 Å²	32	78.6 Å²	78.6	22%	0.216	45%	0.446	C	S	.	.	H	α-helix	trans	-65.6	-43.9	167.6	-78.1	0	0	0	0	110.9	P62 L68 A69 L70	P62-C66 WeakPolarHBondContact O-CB 3.37Å; P62-C66 PolarHBondContact O-N 2.91Å; P62-C66 PolarHBondContact O-SG 3.18Å; C66-L68 VanDerWaalsContact C-N 3.26Å; C66-L68 PolarHBondContact O-N 3.3Å; C66-A69 CarbonylContact O-C 3.54Å; C66-A69 PolarHBondContact O-N 3.5Å; C66-L70 HydrophobicContact CB-CD1 4.45Å; C66-L70 VanDerWaalsContact O-CB 3.26Å; C66-L70 WeakPolarHBondContact O-CB 3.47Å; C66-L70 VanDerWaalsContact O-CD1 3.23Å; C66-L70 WeakPolarHBondContact O-CD1 3.18Å; C66-L70 WeakPolarHBondContact O-CG 2.96Å; C66-L70 PolarHBondContact O-N 3.08Å
67	A	39.8	Very low	45.7	Very low	59 Å²	59	72.8 Å²	72.8	49%	0.488	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-25.2	176.9	0	0	0	0	0	113.8	F63 F64	F63-A67 VanDerWaalsContact O-CB 3.24Å; F63-A67 WeakPolarHBondContact O-CB 3.39Å; F63-A67 PolarHBondContact O-N 3.32Å; F64-A67 CarbonylContact O-C 3.51Å; F64-A67 PolarHBondContact O-N 2.82Å
68	L	41.8	Very low	46.6	Very low	143 Å²	143	74 Å²	74	75%	0.749	42%	0.423	S	S	*	.	H	α-helix	trans	-84.5	-23	175	-73.6	163.4	0	0	0	112.5	F64 A65 C66	F64-L68 VanDerWaalsContact O-CB 3.26Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CD1 3.38Å; F64-L68 WeakPolarHBondContact O-CG 3.35Å; F64-L68 PolarHBondContact O-N 3.15Å; A65-L68 PolarHBondContact O-N 3.29Å; C66-L68 VanDerWaalsContact C-N 3.26Å; C66-L68 PolarHBondContact O-N 3.3Å
69	A	46	Very low	47.5	Very low	12 Å²	12	70.9 Å²	70.9	10%	0.099	41%	0.409	C	S	.	.	H	α-helix	trans	-93.4	-8	172	0	0	0	0	0	113.4	F26 A65 C66	F26-A69 HydrophobicContact CE1-CB 3.85Å; F26-A69 HydrophobicContact CZ-CB 3.68Å; A65-A69 WeakPolarHBondContact O-CB 3.33Å; A65-A69 PolarHBondContact O-N 3.45Å; C66-A69 CarbonylContact O-C 3.54Å; C66-A69 PolarHBondContact O-N 3.5Å
70	L	53.3	Low	48.8	Very low	119 Å²	119	68.9 Å²	68.9	62%	0.623	40%	0.395	S	S	*	.	S	Bend	trans	-89.1	115.2	176.6	-79.4	161.3	0	0	0	108.5	C66 P72	C66-L70 HydrophobicContact CB-CD1 4.45Å; C66-L70 VanDerWaalsContact O-CB 3.26Å; C66-L70 WeakPolarHBondContact O-CB 3.47Å; C66-L70 VanDerWaalsContact O-CD1 3.23Å; C66-L70 WeakPolarHBondContact O-CD1 3.18Å; C66-L70 WeakPolarHBondContact O-CG 2.96Å; C66-L70 PolarHBondContact O-N 3.08Å; L70-P72 WeakPolarHBondContact O-CD 3.23Å
71	C	58.3	Low	49.9	Very low	12 Å²	12	67.8 Å²	67.8	8%	0.081	39%	0.386	C	S	.	.			trans	-59.6	121.7	172.5	-65.9	0	0	0	0	109.9	S73 F80 F81 C88	C71-S73 PolarHBondContact O-N 3.03Å; C71-F80 PolarHBondContact SG-O 2.76Å; C71-F80 VanDerWaalsContact SG-O 3.4Å; C71-F81 PolarHBondContact SG-N 2.74Å; C71-C88 WeakPolarHBondContact CA-SG 3.26Å; C71-C88 HydrophobicContact CB-CB 3.5Å; C71-C88 WeakPolarHBondContact CB-SG 3.05Å; C71-C88 WeakPolarHBondContact SG-CA 3.25Å; C71-C88 WeakPolarHBondContact SG-CB 3.4Å; C71-C88 CovalentContact SG-SG 2.03Å; C71-C88 PolarHBondContact SG-SG 2.81Å
72	P	52	Low	50.9	Low	85 Å²	85	63.9 Å²	63.9	55%	0.552	37%	0.366	S	S	*	.			trans	-67.4	99.7	-179.5	26.2	-31.5	0	0	0	108.7	L70 Q191	L70-P72 WeakPolarHBondContact O-CD 3.23Å; P72-Q191 PolarHBondContact O-NE2 3.21Å; P72-Q191 PolarHBondContact O-OE1 2.9Å; P72-Q191 VanDerWaalsContact O-OE1 3.13Å
73	S	51.5	Low	51.9	Low	37 Å²	37	65.4 Å²	65.4	26%	0.259	38%	0.376	S	S	.	.			trans	-86.4	115.7	170.3	109.3	0	0	0	0	108.2	C71 F75 S76 F77	C71-S73 PolarHBondContact O-N 3.03Å; S73-F75 PolarHBondContact O-N 3.21Å; S73-S76 WeakPolarHBondContact OG-CA 3.14Å; S73-S76 PolarHBondContact OG-N 3.34Å; S73-F77 WeakPolarHBondContact CB-O 3.26Å; S73-F77 PolarHBondContact OG-N 2.87Å; S73-F77 VanDerWaalsContact OG-N 3.1Å; S73-F77 PolarHBondContact OG-O 3.47Å
74	D	50.4	Low	52.9	Low	99 Å²	99	68.5 Å²	68.5	53%	0.529	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.5	172.2	-66.4	-41.4	0	0	0	111.6
75	F	50.4	Low	54	Low	100 Å²	100	65.9 Å²	65.9	44%	0.439	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	22.8	-167.1	-68.9	-90.2	0	0	0	115.1	S73 F77 L116	S73-F75 PolarHBondContact O-N 3.21Å; F75-F77 HydrophobicContact CB-CD2 3.54Å; F75-F77 HydrophobicContact CB-CE2 3.25Å; F75-F77 HydrophobicContact CB-CZ 4.06Å; F75-F77 HydrophobicContact CG-CE2 4.16Å; F75-F77 PolarHBondContact O-N 3Å; F75-L116 HydrophobicContact CD1-CD2 4.07Å; F75-L116 HydrophobicContact CD2-CB 4.26Å; F75-L116 HydrophobicContact CD2-CD2 4.02Å; F75-L116 WeakPolarHBondContact CD2-O 3.24Å; F75-L116 HydrophobicContact CE1-CD2 4.12Å; F75-L116 HydrophobicContact CE2-CB 4.35Å; F75-L116 HydrophobicContact CE2-CD2 4.1Å; F75-L116 WeakPolarHBondContact CE2-O 3.43Å; F75-L116 HydrophobicContact CG-CD2 4.02Å; F75-L116 HydrophobicContact CZ-CD2 4.13Å
76	S	54.5	Low	55.4	Low	118 Å²	118	71.9 Å²	71.9	83%	0.825	41%	0.406	S	S	*	.	S	Bend	trans	61	18.5	-179.6	-49.3	0	0	0	0	115.6	S73	S73-S76 WeakPolarHBondContact OG-CA 3.14Å; S73-S76 PolarHBondContact OG-N 3.34Å
77	F	54.4	Low	56.8	Low	26 Å²	26	74.7 Å²	74.7	11%	0.114	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-81.9	136.2	174.7	-59.4	-58.6	0	0	0	110.3	S73 F75 G79 T90 P93 L96 L116 F117	S73-F77 WeakPolarHBondContact CB-O 3.26Å; S73-F77 PolarHBondContact OG-N 2.87Å; S73-F77 VanDerWaalsContact OG-N 3.1Å; S73-F77 PolarHBondContact OG-O 3.47Å; F75-F77 HydrophobicContact CB-CD2 3.54Å; F75-F77 HydrophobicContact CB-CE2 3.25Å; F75-F77 HydrophobicContact CB-CZ 4.06Å; F75-F77 HydrophobicContact CG-CE2 4.16Å; F75-F77 PolarHBondContact O-N 3Å; F77-G79 PolarHBondContact O-N 2.78Å; F77-G79 VanDerWaalsContact O-N 3.12Å; F77-T90 HydrophobicContact CB-CG2 3.3Å; F77-T90 HydrophobicContact CD2-CG2 4.33Å; F77-T90 HydrophobicContact CG-CG2 4.17Å; F77-P93 HydrophobicContact CD1-CG 4.17Å; F77-P93 HydrophobicContact CE1-CG 3.67Å; F77-L96 HydrophobicContact CE1-CD1 3.3Å; F77-L96 HydrophobicContact CZ-CD1 3.22Å; F77-L116 HydrophobicContact CE2-CD1 4.28Å; F77-L116 HydrophobicContact CE2-CD2 4.45Å; F77-F117 HydrophobicContact CD2-CE1 4.28Å; F77-F117 AromaticContact CD2-CZ 3.85Å; F77-F117 HydrophobicContact CD2-CZ 3.85Å
78	P	54.6	Low	58.2	Low	59 Å²	59	72.7 Å²	72.7	38%	0.383	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63.4	119	173	26.6	-32.5	0	0	0	109.2	W136	P78-W136 HydrophobicContact CG-CZ2 3.58Å
79	G	61.1	Low	59.5	Low	26 Å²	26	66 Å²	66	27%	0.268	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147	173.8	0	0	0	0	0	110.9	F77 L89	F77-G79 PolarHBondContact O-N 2.78Å; F77-G79 VanDerWaalsContact O-N 3.12Å; G79-L89 CarbonylContact C-O 3.57Å; G79-L89 VanDerWaalsContact CA-O 3.29Å; G79-L89 WeakPolarHBondContact CA-O 3.22Å
80	F	65.4	Low	60.5	Low	26 Å²	26	65.4 Å²	65.4	11%	0.114	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	-178.9	-57	-85	0	0	0	109.4	C71 D82 L89 V91 F127 L131 D133 W136	C71-F80 PolarHBondContact SG-O 2.76Å; C71-F80 VanDerWaalsContact SG-O 3.4Å; F80-D82 PolarHBondContact O-N 3.26Å; F80-L89 HydrophobicContact CB-CB 4.34Å; F80-L89 PolarHBondContact N-O 3.49Å; F80-L89 PolarHBondContact O-N 3.41Å; F80-V91 HydrophobicContact CE2-CG2 4.33Å; F80-F127 HydrophobicContact CD2-CE2 4.45Å; F80-F127 AromaticContact CD2-CZ 3.84Å; F80-F127 HydrophobicContact CD2-CZ 3.84Å; F80-F127 AromaticContact CE2-CZ 3.89Å; F80-F127 HydrophobicContact CE2-CZ 3.89Å; F80-L131 HydrophobicContact CD1-CB 4.47Å; F80-L131 WeakPolarHBondContact CD1-O 3.33Å; F80-L131 WeakPolarHBondContact CE1-O 3.02Å; F80-D133 HydrophobicContact CE1-CB 4.11Å; F80-W136 AromaticContact CE2-CD1 3.95Å; F80-W136 AromaticContact CE2-CE2 3.94Å; F80-W136 AromaticContact CE2-NE1 3.41Å; F80-W136 AromaticContact CZ-CD1 3.24Å; F80-W136 HydrophobicContact CZ-CD2 4.44Å; F80-W136 AromaticContact CZ-CG 3.96Å; F80-W136 HydrophobicContact CZ-CG 3.96Å; F80-W136 AromaticContact CZ-NE1 3.18Å
81	F	66.5	Low	61.1	Low	71 Å²	71	59.7 Å²	59.7	31%	0.311	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	119.4	168.9	-176.4	-106.9	0	0	0	108.8	C71 P83 Q86	C71-F81 PolarHBondContact SG-N 2.74Å; F81-P83 HydrophobicContact CE1-CB 4.32Å; F81-P83 VanDerWaalsContact O-CD 3.22Å; F81-P83 WeakPolarHBondContact O-CD 3.41Å; F81-Q86 HydrophobicContact CZ-CB 4.37Å
82	D	65.4	Low	61.3	Low	4 Å²	4	59.2 Å²	59.2	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.5	170.6	-179.7	-6.5	0	0	0	109	F80 Q84 N85 Q86 K87 L89 Y125 L131	F80-D82 PolarHBondContact O-N 3.26Å; D82-Q84 PolarHBondContact O-N 3.41Å; D82-Q84 WeakPolarHBondContact OD1-CB 3.23Å; D82-Q84 PolarHBondContact OD1-N 3.16Å; D82-N85 PolarHBondContact OD1-N 3.03Å; D82-N85 WeakPolarHBondContact OD2-CB 3.43Å; D82-N85 PolarHBondContact OD2-ND2 3.09Å; D82-Q86 VanDerWaalsContact O-CA 3.28Å; D82-Q86 WeakPolarHBondContact O-CA 3.07Å; D82-Q86 PolarHBondContact O-N 2.89Å; D82-K87 PolarHBondContact N-O 2.96Å; D82-K87 PolarHBondContact O-N 2.92Å; D82-L89 HydrophobicContact CB-CD1 3.94Å; D82-L89 HydrophobicContact CB-CG 4.19Å; D82-Y125 WeakPolarHBondContact OD2-CE2 3.06Å; D82-L131 HydrophobicContact CB-CD1 4.38Å
83	P	61.6	Low	61.4	Low	83 Å²	83	56.3 Å²	56.3	54%	0.539	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.9	-178.1	29.3	-35.1	0	0	0	112.9	F81	F81-P83 HydrophobicContact CE1-CB 4.32Å; F81-P83 VanDerWaalsContact O-CD 3.22Å; F81-P83 WeakPolarHBondContact O-CD 3.41Å
84	Q	63.5	Low	61.4	Low	165 Å²	165	54.8 Å²	54.8	77%	0.771	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-44.6	179.9	-63.3	-173.3	1	0	0	111.2	D82	D82-Q84 PolarHBondContact O-N 3.41Å; D82-Q84 WeakPolarHBondContact OD1-CB 3.23Å; D82-Q84 PolarHBondContact OD1-N 3.16Å
85	N	65.7	Low	61.3	Low	74 Å²	74	54.4 Å²	54.4	40%	0.396	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-9.1	-178.4	-68.5	-60.1	0	0	0	113.5	D82 K87 Y125	D82-N85 PolarHBondContact OD1-N 3.03Å; D82-N85 WeakPolarHBondContact OD2-CB 3.43Å; D82-N85 PolarHBondContact OD2-ND2 3.09Å; N85-K87 HydrophobicContact CB-CB 4.45Å; N85-K87 HydrophobicContact CB-CG 4.14Å; N85-K87 WeakPolarHBondContact O-CG 3.24Å; N85-K87 PolarHBondContact O-N 3.16Å; N85-Y125 WeakPolarHBondContact ND2-CE2 3.4Å
86	Q	69.6	Low	61.2	Low	159 Å²	159	54.8 Å²	54.8	74%	0.743	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	41.4	-171.1	-59.7	-172.4	-15.7	0	0	112.4	F81 D82	F81-Q86 HydrophobicContact CZ-CB 4.37Å; D82-Q86 VanDerWaalsContact O-CA 3.28Å; D82-Q86 WeakPolarHBondContact O-CA 3.07Å; D82-Q86 PolarHBondContact O-N 2.89Å
87	K	67.8	Low	61	Low	92 Å²	92	51 Å²	51	40%	0.4	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	161.2	-177.9	-60.5	-164.9	-176.3	-176.9	0	111.5	D82 N85 V190	D82-K87 PolarHBondContact N-O 2.96Å; D82-K87 PolarHBondContact O-N 2.92Å; N85-K87 HydrophobicContact CB-CB 4.45Å; N85-K87 HydrophobicContact CB-CG 4.14Å; N85-K87 WeakPolarHBondContact O-CG 3.24Å; N85-K87 PolarHBondContact O-N 3.16Å; K87-V190 HydrophobicContact CB-CG1 3.59Å; K87-V190 HydrophobicContact CD-CG1 3.26Å; K87-V190 HydrophobicContact CG-CG1 4.03Å
88	C	68	Low	60.8	Low	17 Å²	17	55.8 Å²	55.8	12%	0.115	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.5	177.2	-91.1	0	0	0	0	110.8	C71 V190 Q191	C71-C88 WeakPolarHBondContact CA-SG 3.26Å; C71-C88 HydrophobicContact CB-CB 3.5Å; C71-C88 WeakPolarHBondContact CB-SG 3.05Å; C71-C88 WeakPolarHBondContact SG-CA 3.25Å; C71-C88 WeakPolarHBondContact SG-CB 3.4Å; C71-C88 CovalentContact SG-SG 2.03Å; C71-C88 PolarHBondContact SG-SG 2.81Å; C88-V190 CarbonylContact O-C 3.57Å; C88-V190 VanDerWaalsContact O-CA 3.26Å; C88-V190 WeakPolarHBondContact O-CA 3.46Å; C88-Q191 HydrophobicContact CB-CB 3.89Å; C88-Q191 PolarHBondContact N-O 3.31Å; C88-Q191 VanDerWaalsContact N-O 3.12Å; C88-Q191 PolarHBondContact O-N 3.39Å
89	L	68.7	Low	60.7	Low	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.1	-179.3	-66	-179.9	0	0	0	109.8	G79 F80 D82 Y125 F127 P128 I188 C189 V190	G79-L89 CarbonylContact C-O 3.57Å; G79-L89 VanDerWaalsContact CA-O 3.29Å; G79-L89 WeakPolarHBondContact CA-O 3.22Å; F80-L89 HydrophobicContact CB-CB 4.34Å; F80-L89 PolarHBondContact N-O 3.49Å; F80-L89 PolarHBondContact O-N 3.41Å; D82-L89 HydrophobicContact CB-CD1 3.94Å; D82-L89 HydrophobicContact CB-CG 4.19Å; L89-Y125 HydrophobicContact CD1-CE2 4.14Å; L89-Y125 HydrophobicContact CD2-CE2 3.87Å; L89-Y125 WeakPolarHBondContact CD2-OH 3.29Å; L89-Y125 HydrophobicContact CG-CE2 4.48Å; L89-F127 HydrophobicContact CB-CE2 4.21Å; L89-F127 HydrophobicContact CD1-CD2 4.34Å; L89-F127 HydrophobicContact CD1-CE2 4.21Å; L89-P128 VanDerWaalsContact CD1-CD 3.47Å; L89-P128 HydrophobicContact CD1-CG 3.69Å; L89-I188 HydrophobicContact CB-CG2 4.46Å; L89-I188 HydrophobicContact CD2-CG2 3.91Å; L89-C189 CarbonylContact C-O 3.47Å; L89-C189 WeakPolarHBondContact CA-O 3.18Å; L89-V190 HydrophobicContact CD2-CB 4.43Å; L89-V190 HydrophobicContact CD2-CG1 4.37Å; L89-V190 HydrophobicContact CD2-CG2 3.66Å
90	T	68.5	Low	60.2	Low	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135	174.9	-56.8	0	0	0	0	109.4	F77 F117 C189	F77-T90 HydrophobicContact CB-CG2 3.3Å; F77-T90 HydrophobicContact CD2-CG2 4.33Å; F77-T90 HydrophobicContact CG-CG2 4.17Å; T90-F117 HydrophobicContact CG2-CE1 3.79Å; T90-F117 HydrophobicContact CG2-CE2 4.24Å; T90-F117 HydrophobicContact CG2-CZ 3.32Å; T90-C189 PolarHBondContact N-O 3.09Å; T90-C189 PolarHBondContact O-N 3.42Å
91	V	66.3	Low	59.5	Low	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.6	-177.4	-179.9	0	0	0	0	108.5	F80 F127 W136 L147 V186 I188	F80-V91 HydrophobicContact CE2-CG2 4.33Å; V91-F127 HydrophobicContact CG2-CD2 4.33Å; V91-F127 HydrophobicContact CG2-CE2 3.48Å; V91-F127 VanDerWaalsContact CG2-CE2 3.48Å; V91-F127 HydrophobicContact CG2-CZ 3.76Å; V91-W136 HydrophobicContact CB-CH2 3.23Å; V91-W136 HydrophobicContact CB-CZ2 3.47Å; V91-W136 VanDerWaalsContact CB-CZ2 3.47Å; V91-W136 HydrophobicContact CB-CZ3 3.93Å; V91-W136 HydrophobicContact CG1-CE3 4.44Å; V91-W136 HydrophobicContact CG1-CH2 3.17Å; V91-W136 HydrophobicContact CG1-CZ2 3.95Å; V91-W136 HydrophobicContact CG1-CZ3 3.44Å; V91-W136 VanDerWaalsContact CG1-CZ3 3.44Å; V91-W136 HydrophobicContact CG2-CH2 4.2Å; V91-W136 HydrophobicContact CG2-CZ2 4.2Å; V91-L147 HydrophobicContact CG1-CD2 4.35Å; V91-V186 HydrophobicContact CB-CG1 4.43Å; V91-V186 HydrophobicContact CG1-CB 4.48Å; V91-V186 HydrophobicContact CG1-CG1 2.98Å; V91-I188 HydrophobicContact CG2-CG1 4.34Å
92	V	62.1	Low	58.6	Low	1 Å²	1	62.3 Å²	62.3	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.1	-177.3	-176.1	0	0	0	0	108.9	I97 L116 F117 H187 C189	V92-I97 HydrophobicContact CG1-CD1 3.88Å; V92-I97 HydrophobicContact CG1-CG1 4.41Å; V92-L116 HydrophobicContact CB-CD1 4.34Å; V92-L116 HydrophobicContact CG1-CD1 3.66Å; V92-L116 HydrophobicContact CG2-CD1 3.65Å; V92-F117 HydrophobicContact CG2-CE2 3.97Å; V92-F117 HydrophobicContact CG2-CZ 4.4Å; V92-H187 HydrophobicContact CB-CB 4.46Å; V92-H187 PolarHBondContact N-O 3.19Å; V92-C189 VanDerWaalsContact CG2-SG 3.53Å
93	P	54.2	Low	58.3	Low	24 Å²	24	64.7 Å²	64.7	16%	0.156	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-70.7	141.3	-179.3	32.2	-35.6	0	0	0	110.3	F77 N95 L96	F77-P93 HydrophobicContact CD1-CG 4.17Å; F77-P93 HydrophobicContact CE1-CG 3.67Å; P93-N95 VanDerWaalsContact CB-OD1 3.25Å; P93-N95 WeakPolarHBondContact CB-OD1 2.89Å; P93-N95 WeakPolarHBondContact CG-OD1 3.33Å; P93-N95 PolarHBondContact O-N 2.9Å; P93-L96 HydrophobicContact CG-CD1 3.74Å; P93-L96 HydrophobicContact CG-CG 4.16Å; P93-L96 PolarHBondContact O-N 3.38Å; P93-L96 VanDerWaalsContact O-N 3.17Å
94	T	50.2	Low	58.4	Low	5 Å²	5	63.9 Å²	63.9	3%	0.031	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.7	-172.8	44.2	0	0	0	0	114.4	L96 I97 Q184 I185 V186	T94-L96 PolarHBondContact O-N 2.82Å; T94-I97 CarbonylContact O-C 3.49Å; T94-I97 PolarHBondContact O-N 3.38Å; T94-I97 VanDerWaalsContact O-O 3.1Å; T94-Q184 HydrophobicContact CG2-CB 3.32Å; T94-Q184 PolarHBondContact OG1-OE1 3.3Å; T94-I185 WeakPolarHBondContact CG2-O 3.42Å; T94-V186 HydrophobicContact CG2-CG2 4.07Å
95	N	48.9	Very low	58.4	Low	92 Å²	92	56.4 Å²	56.4	49%	0.492	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.9	175	60.2	-4.5	0	0	0	112.5	P93	P93-N95 VanDerWaalsContact CB-OD1 3.25Å; P93-N95 WeakPolarHBondContact CB-OD1 2.89Å; P93-N95 WeakPolarHBondContact CG-OD1 3.33Å; P93-N95 PolarHBondContact O-N 2.9Å
96	L	47.4	Very low	58.3	Low	107 Å²	107	53.4 Å²	53.4	56%	0.56	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-27.3	176.7	-66.7	176.9	0	0	0	111.9	F77 P93 T94	F77-L96 HydrophobicContact CE1-CD1 3.3Å; F77-L96 HydrophobicContact CZ-CD1 3.22Å; P93-L96 HydrophobicContact CG-CD1 3.74Å; P93-L96 HydrophobicContact CG-CG 4.16Å; P93-L96 PolarHBondContact O-N 3.38Å; P93-L96 VanDerWaalsContact O-N 3.17Å; T94-L96 PolarHBondContact O-N 2.82Å
97	I	51.1	Low	58.2	Low	40 Å²	40	54.1 Å²	54.1	21%	0.205	28%	0.281	C	S	.	.			trans	-146.9	114.3	-175.4	-43.6	175.5	0	0	0	111.6	V92 T94 V99 I112 L116	V92-I97 HydrophobicContact CG1-CD1 3.88Å; V92-I97 HydrophobicContact CG1-CG1 4.41Å; T94-I97 CarbonylContact O-C 3.49Å; T94-I97 PolarHBondContact O-N 3.38Å; T94-I97 VanDerWaalsContact O-O 3.1Å; I97-V99 HydrophobicContact CG2-CG2 4.04Å; I97-V99 PolarHBondContact O-N 3.14Å; I97-I112 HydrophobicContact CB-CD1 4.18Å; I97-I112 HydrophobicContact CD1-CB 4.09Å; I97-I112 HydrophobicContact CD1-CD1 4.23Å; I97-I112 HydrophobicContact CD1-CG1 3.93Å; I97-I112 HydrophobicContact CD1-CG2 3.15Å; I97-I112 HydrophobicContact CG1-CG2 4.47Å; I97-I112 HydrophobicContact CG2-CD1 3.19Å; I97-I112 HydrophobicContact CG2-CG1 3.83Å; I97-L116 HydrophobicContact CD1-CD1 3.82Å; I97-L116 HydrophobicContact CD1-CG 4.5Å
98	V	50.5	Low	58.2	Low	125 Å²	125	53.6 Å²	53.6	76%	0.758	28%	0.28	S	S	*	.			trans	-91.5	96.4	174.3	-176.7	0	0	0	0	108	P100	V98-P100 WeakPolarHBondContact O-CD 3.25Å
99	V	52.5	Low	58.3	Low	12 Å²	12	52.8 Å²	52.8	7%	0.073	27%	0.274	C	S	.	.			trans	-93.8	112.9	166.4	-172.9	0	0	0	0	108.2	I97 W101 W105 Q108 I112 H187	I97-V99 HydrophobicContact CG2-CG2 4.04Å; I97-V99 PolarHBondContact O-N 3.14Å; V99-W101 PolarHBondContact O-N 2.72Å; V99-W105 HydrophobicContact CG1-CB 3.7Å; V99-Q108 HydrophobicContact CG1-CB 3.73Å; V99-Q108 HydrophobicContact CG2-CB 4.39Å; V99-I112 HydrophobicContact CG2-CD1 3.16Å; V99-H187 WeakPolarHBondContact CB-NE2 3.47Å; V99-H187 VanDerWaalsContact CG2-NE2 3.29Å; V99-H187 WeakPolarHBondContact CG2-NE2 3.06Å
100	P	50.4	Low	58.6	Low	67 Å²	67	55.2 Å²	55.2	44%	0.435	29%	0.287	S	S	.	.			trans	-64.2	131.8	173.4	25.9	-31.2	0	0	0	109.6	V98 K102 W105	V98-P100 WeakPolarHBondContact O-CD 3.25Å; P100-K102 PolarHBondContact O-N 3.5Å; P100-K102 VanDerWaalsContact O-N 3.13Å; P100-W105 WeakPolarHBondContact O-CB 2.96Å
101	W	49.8	Very low	58.7	Low	65 Å²	65	57.3 Å²	57.3	25%	0.246	31%	0.305	C	S	.	.	S	Bend	trans	-57.2	-26.5	174.8	-168	-107.8	0	0	0	112.8	V99 W105 L148 P177 I185	V99-W101 PolarHBondContact O-N 2.72Å; W101-W105 HydrophobicContact CE3-CD2 4.13Å; W101-W105 HydrophobicContact CE3-CG 4.45Å; W101-W105 HydrophobicContact CE3-CZ2 4.39Å; W101-W105 HydrophobicContact CH2-CH2 4.37Å; W101-W105 AromaticContact CH2-CZ2 3.84Å; W101-W105 HydrophobicContact CH2-CZ2 3.84Å; W101-W105 HydrophobicContact CZ3-CD2 4.2Å; W101-W105 AromaticContact CZ3-CE2 3.8Å; W101-W105 HydrophobicContact CZ3-CE3 4.45Å; W101-W105 AromaticContact CZ3-CH2 3.99Å; W101-W105 HydrophobicContact CZ3-CH2 3.99Å; W101-W105 AromaticContact CZ3-CZ2 3.7Å; W101-W105 HydrophobicContact CZ3-CZ2 3.7Å; W101-W105 HydrophobicContact CZ3-CZ3 4.36Å; W101-L148 HydrophobicContact CH2-CD2 3.94Å; W101-L148 HydrophobicContact CZ3-CD2 4Å; W101-P177 HydrophobicContact CZ2-CB 4.12Å; W101-I185 HydrophobicContact CB-CD1 3.85Å; W101-I185 HydrophobicContact CD2-CD1 4.07Å; W101-I185 HydrophobicContact CE3-CD1 3.33Å; W101-I185 HydrophobicContact CE3-CG1 3.67Å; W101-I185 HydrophobicContact CG-CD1 4.32Å; W101-I185 HydrophobicContact CZ3-CD1 4.17Å; W101-I185 HydrophobicContact CZ3-CG1 4.03Å; W101-I185 HydrophobicContact CZ3-CG2 4.32Å
102	K	47.5	Very low	59.1	Low	175 Å²	175	58.3 Å²	58.3	76%	0.761	31%	0.31	S	S	*	.	S	Bend	trans	-81.5	124	178.3	-67.8	-172.7	177.2	-176.6	0	110.2	P100	P100-K102 PolarHBondContact O-N 3.5Å; P100-K102 VanDerWaalsContact O-N 3.13Å
103	G	59.2	Low	59.6	Low	54 Å²	54	58.3 Å²	58.3	56%	0.557	31%	0.31	S	S	*	.	S	Bend	trans	107.5	-162	-179.6	0	0	0	0	0	112.4	W105	G103-W105 PolarHBondContact O-N 2.76Å
104	D	65.3	Low	60.7	Low	66 Å²	66	61 Å²	61	35%	0.353	32%	0.322	S	S	.	.	S	Bend	trans	-78.1	62	176.9	-168.1	1.4	0	0	0	110.6	I106 R107 Q108	D104-I106 PolarHBondContact O-N 2.89Å; D104-R107 HydrophobicContact CB-CB 4.38Å; D104-R107 PolarHBondContact O-N 3.22Å; D104-R107 WeakPolarHBondContact OD1-CB 3.02Å; D104-R107 PolarHBondContact OD1-N 2.03Å; D104-R107 WeakPolarHBondContact OD2-CB 3.5Å; D104-R107 WeakPolarHBondContact OD2-CD 3.2Å; D104-Q108 WeakPolarHBondContact O-CG 3.44Å; D104-Q108 PolarHBondContact O-N 3.4Å
105	W	61.9	Low	61.8	Low	9 Å²	9	67.1 Å²	67.1	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-29.7	-177.9	73.5	-93.3	0	0	0	111.3	V99 P100 W101 G103 Q108 A109 L122 L148 S168 Y175	V99-W105 HydrophobicContact CG1-CB 3.7Å; P100-W105 WeakPolarHBondContact O-CB 2.96Å; W101-W105 HydrophobicContact CE3-CD2 4.13Å; W101-W105 HydrophobicContact CE3-CG 4.45Å; W101-W105 HydrophobicContact CE3-CZ2 4.39Å; W101-W105 HydrophobicContact CH2-CH2 4.37Å; W101-W105 AromaticContact CH2-CZ2 3.84Å; W101-W105 HydrophobicContact CH2-CZ2 3.84Å; W101-W105 HydrophobicContact CZ3-CD2 4.2Å; W101-W105 AromaticContact CZ3-CE2 3.8Å; W101-W105 HydrophobicContact CZ3-CE3 4.45Å; W101-W105 AromaticContact CZ3-CH2 3.99Å; W101-W105 HydrophobicContact CZ3-CH2 3.99Å; W101-W105 AromaticContact CZ3-CZ2 3.7Å; W101-W105 HydrophobicContact CZ3-CZ2 3.7Å; W101-W105 HydrophobicContact CZ3-CZ3 4.36Å; G103-W105 PolarHBondContact O-N 2.76Å; W105-Q108 PolarHBondContact O-N 3.16Å; W105-A109 HydrophobicContact CE3-CB 4.23Å; W105-A109 HydrophobicContact CZ3-CB 4.41Å; W105-A109 VanDerWaalsContact O-CB 3.24Å; W105-A109 WeakPolarHBondContact O-CB 3.12Å; W105-A109 PolarHBondContact O-N 3.41Å; W105-L122 HydrophobicContact CZ3-CD2 4.21Å; W105-L148 HydrophobicContact CH2-CD1 4.36Å; W105-S168 PolarHBondContact NE1-OG 3.12Å; W105-S168 VanDerWaalsContact NE1-OG 3.09Å; W105-Y175 HydrophobicContact CH2-CD1 4.34Å; W105-Y175 AromaticContact CZ2-CD1 3.9Å; W105-Y175 HydrophobicContact CZ2-CD1 3.9Å; W105-Y175 HydrophobicContact CZ2-CE1 4.47Å; W105-Y175 HydrophobicContact CZ2-CG 4.4Å
106	I	65.2	Low	62.6	Low	10 Å²	10	63.9 Å²	63.9	5%	0.051	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-51.4	177.4	-64.3	162.1	0	0	0	109.8	D104 Q108 A109 D110 L122 S168 F170 Y175	D104-I106 PolarHBondContact O-N 2.89Å; I106-Q108 VanDerWaalsContact C-N 3.25Å; I106-Q108 PolarHBondContact O-N 2.77Å; I106-A109 PolarHBondContact O-N 3.26Å; I106-D110 WeakPolarHBondContact O-CB 3.4Å; I106-D110 PolarHBondContact O-N 3.1Å; I106-L122 HydrophobicContact CG2-CD2 4Å; I106-S168 VanDerWaalsContact CD1-OG 3.31Å; I106-S168 WeakPolarHBondContact CD1-OG 3.36Å; I106-F170 HydrophobicContact CD1-CB 3.84Å; I106-Y175 HydrophobicContact CD1-CD1 4.04Å; I106-Y175 HydrophobicContact CD1-CD2 3.43Å; I106-Y175 VanDerWaalsContact CD1-CD2 3.43Å; I106-Y175 HydrophobicContact CD1-CE1 3.85Å; I106-Y175 HydrophobicContact CD1-CE2 3.23Å; I106-Y175 HydrophobicContact CD1-CG 3.84Å; I106-Y175 VanDerWaalsContact CD1-CZ 3.43Å; I106-Y175 HydrophobicContact CG1-CD1 4.49Å; I106-Y175 HydrophobicContact CG1-CE1 4.22Å; I106-Y175 HydrophobicContact CG1-CE2 4.38Å
107	R	67.2	Low	63.6	Low	175 Å²	175	58.9 Å²	58.9	66%	0.66	31%	0.312	S	S	*	.	H	α-helix	trans	-61.7	-36.7	177.7	-177	-179.5	175.8	-173.1	-1.1	111.9	D104 A111	D104-R107 HydrophobicContact CB-CB 4.38Å; D104-R107 PolarHBondContact O-N 3.22Å; D104-R107 WeakPolarHBondContact OD1-CB 3.02Å; D104-R107 PolarHBondContact OD1-N 2.03Å; D104-R107 WeakPolarHBondContact OD2-CB 3.5Å; D104-R107 WeakPolarHBondContact OD2-CD 3.2Å; R107-A111 WeakPolarHBondContact O-CB 3.28Å; R107-A111 PolarHBondContact O-N 2.75Å
108	Q	67.7	Low	64.4	Low	80 Å²	80	63.7 Å²	63.7	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-48.4	175.5	-70.7	176	52.8	0	0	111.1	V99 D104 W105 I106 D110 A111 I112	V99-Q108 HydrophobicContact CG1-CB 3.73Å; V99-Q108 HydrophobicContact CG2-CB 4.39Å; D104-Q108 WeakPolarHBondContact O-CG 3.44Å; D104-Q108 PolarHBondContact O-N 3.4Å; W105-Q108 PolarHBondContact O-N 3.16Å; I106-Q108 VanDerWaalsContact C-N 3.25Å; I106-Q108 PolarHBondContact O-N 2.77Å; Q108-D110 VanDerWaalsContact C-N 3.35Å; Q108-D110 PolarHBondContact O-N 2.05Å; Q108-A111 PolarHBondContact O-N 2.86Å; Q108-I112 WeakPolarHBondContact O-CB 3.06Å; Q108-I112 VanDerWaalsContact O-CD1 3.23Å; Q108-I112 WeakPolarHBondContact O-CD1 3.4Å; Q108-I112 WeakPolarHBondContact O-CG1 3.13Å; Q108-I112 PolarHBondContact O-N 3.42Å
109	A	69.8	Low	65.3	Low	0 Å²	0	67 Å²	67	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-39	177.7	0	0	0	0	0	112.6	W105 I106 I112 C113 L122 H187	W105-A109 HydrophobicContact CE3-CB 4.23Å; W105-A109 HydrophobicContact CZ3-CB 4.41Å; W105-A109 VanDerWaalsContact O-CB 3.24Å; W105-A109 WeakPolarHBondContact O-CB 3.12Å; W105-A109 PolarHBondContact O-N 3.41Å; I106-A109 PolarHBondContact O-N 3.26Å; A109-I112 WeakPolarHBondContact O-CB 3.26Å; A109-I112 PolarHBondContact O-N 2.98Å; A109-C113 PolarHBondContact O-N 3.48Å; A109-C113 PolarHBondContact O-SG 3.48Å; A109-L122 HydrophobicContact CB-CD1 3.82Å; A109-L122 HydrophobicContact CB-CD2 4.03Å; A109-L122 HydrophobicContact CB-CG 4.46Å; A109-H187 VanDerWaalsContact CB-ND1 3.33Å; A109-H187 WeakPolarHBondContact CB-ND1 3.47Å
110	D	74.6	Confident	66.3	Low	53 Å²	53	66.4 Å²	66.4	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-68.8	-42	174.6	-167.4	64.8	0	0	0	111.6	I106 Q108 I112 C113 N114 S121 L122	I106-D110 WeakPolarHBondContact O-CB 3.4Å; I106-D110 PolarHBondContact O-N 3.1Å; Q108-D110 VanDerWaalsContact C-N 3.35Å; Q108-D110 PolarHBondContact O-N 2.05Å; D110-I112 VanDerWaalsContact C-N 3.26Å; D110-I112 PolarHBondContact O-N 2.66Å; D110-C113 PolarHBondContact O-N 3.46Å; D110-N114 WeakPolarHBondContact O-CB 3.49Å; D110-N114 PolarHBondContact O-N 3.19Å; D110-N114 PolarHBondContact O-ND2 3.36Å; D110-N114 PolarHBondContact OD2-ND2 3.5Å; D110-N114 VanDerWaalsContact OD2-ND2 3.09Å; D110-S121 WeakPolarHBondContact OD1-CA 3.39Å; D110-L122 HydrophobicContact CB-CB 4.08Å; D110-L122 PolarHBondContact OD1-N 3.31Å
111	A	72.2	Confident	67.5	Low	44 Å²	44	65.2 Å²	65.2	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-38.3	173.8	0	0	0	0	0	111.7	R107 Q108 N114 N115	R107-A111 WeakPolarHBondContact O-CB 3.28Å; R107-A111 PolarHBondContact O-N 2.75Å; Q108-A111 PolarHBondContact O-N 2.86Å; A111-N114 PolarHBondContact O-N 3.12Å; A111-N115 WeakPolarHBondContact O-CB 3.39Å; A111-N115 PolarHBondContact O-N 2.97Å; A111-N115 PolarHBondContact O-ND2 2.98Å; A111-N115 VanDerWaalsContact O-ND2 3.17Å
112	I	72.6	Confident	68.6	Low	21 Å²	21	62.9 Å²	62.9	11%	0.108	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-50.2	172.8	-75.9	158.3	0	0	0	111.1	I97 V99 Q108 A109 D110 N114 N115 L116	I97-I112 HydrophobicContact CB-CD1 4.18Å; I97-I112 HydrophobicContact CD1-CB 4.09Å; I97-I112 HydrophobicContact CD1-CD1 4.23Å; I97-I112 HydrophobicContact CD1-CG1 3.93Å; I97-I112 HydrophobicContact CD1-CG2 3.15Å; I97-I112 HydrophobicContact CG1-CG2 4.47Å; I97-I112 HydrophobicContact CG2-CD1 3.19Å; I97-I112 HydrophobicContact CG2-CG1 3.83Å; V99-I112 HydrophobicContact CG2-CD1 3.16Å; Q108-I112 WeakPolarHBondContact O-CB 3.06Å; Q108-I112 VanDerWaalsContact O-CD1 3.23Å; Q108-I112 WeakPolarHBondContact O-CD1 3.4Å; Q108-I112 WeakPolarHBondContact O-CG1 3.13Å; Q108-I112 PolarHBondContact O-N 3.42Å; A109-I112 WeakPolarHBondContact O-CB 3.26Å; A109-I112 PolarHBondContact O-N 2.98Å; D110-I112 VanDerWaalsContact C-N 3.26Å; D110-I112 PolarHBondContact O-N 2.66Å; I112-N114 VanDerWaalsContact C-N 3.32Å; I112-N114 PolarHBondContact O-N 3.33Å; I112-N115 PolarHBondContact O-N 2.84Å; I112-N115 VanDerWaalsContact O-N 3.14Å; I112-L116 HydrophobicContact CG2-CD1 3.85Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 WeakPolarHBondContact O-CG 3.21Å; I112-L116 PolarHBondContact O-N 2.84Å
113	C	74	Confident	69.6	Low	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-41.6	178.9	-68.4	0	0	0	0	112	A109 D110 N115 L116 F117 G120 C189	A109-C113 PolarHBondContact O-N 3.48Å; A109-C113 PolarHBondContact O-SG 3.48Å; D110-C113 PolarHBondContact O-N 3.46Å; C113-N115 VanDerWaalsContact C-N 3.3Å; C113-N115 PolarHBondContact O-N 2.86Å; C113-L116 PolarHBondContact O-N 3.15Å; C113-F117 PolarHBondContact O-N 3.13Å; C113-G120 CarbonylContact C-O 3.5Å; C113-C189 WeakPolarHBondContact CA-SG 3.47Å; C113-C189 HydrophobicContact CB-CB 3.64Å; C113-C189 WeakPolarHBondContact CB-SG 3.21Å; C113-C189 WeakPolarHBondContact SG-CA 3.19Å; C113-C189 WeakPolarHBondContact SG-CB 3.18Å; C113-C189 CovalentContact SG-SG 2.04Å; C113-C189 PolarHBondContact SG-SG 2.85Å
114	N	76.4	Confident	69.8	Low	80 Å²	80	59.4 Å²	59.4	43%	0.428	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-33	175.7	-78.6	-69.4	0	0	0	112.7	D110 A111 I112 G120	D110-N114 WeakPolarHBondContact O-CB 3.49Å; D110-N114 PolarHBondContact O-N 3.19Å; D110-N114 PolarHBondContact O-ND2 3.36Å; D110-N114 PolarHBondContact OD2-ND2 3.5Å; D110-N114 VanDerWaalsContact OD2-ND2 3.09Å; A111-N114 PolarHBondContact O-N 3.12Å; I112-N114 VanDerWaalsContact C-N 3.32Å; I112-N114 PolarHBondContact O-N 3.33Å; N114-G120 VanDerWaalsContact CA-O 3.26Å; N114-G120 WeakPolarHBondContact CA-O 3.25Å; N114-G120 PolarHBondContact N-O 3.17Å; N114-G120 PolarHBondContact OD1-O 3.3Å
115	N	73.6	Confident	69.4	Low	134 Å²	134	59 Å²	59	72%	0.717	28%	0.279	S	S	*	.	H	α-helix	trans	-79.5	-34.6	178.7	-73.8	-23.3	0	0	0	112.9	A111 I112 C113	A111-N115 WeakPolarHBondContact O-CB 3.39Å; A111-N115 PolarHBondContact O-N 2.97Å; A111-N115 PolarHBondContact O-ND2 2.98Å; A111-N115 VanDerWaalsContact O-ND2 3.17Å; I112-N115 PolarHBondContact O-N 2.84Å; I112-N115 VanDerWaalsContact O-N 3.14Å; C113-N115 VanDerWaalsContact C-N 3.3Å; C113-N115 PolarHBondContact O-N 2.86Å
116	L	65.6	Low	69.1	Low	25 Å²	25	66.6 Å²	66.6	13%	0.131	31%	0.308	C	S	.	.	H	α-helix	trans	-83.8	-21.3	-179.3	-72.8	179	0	0	0	113.3	F75 F77 V92 I97 I112 C113	F75-L116 HydrophobicContact CD1-CD2 4.07Å; F75-L116 HydrophobicContact CD2-CB 4.26Å; F75-L116 HydrophobicContact CD2-CD2 4.02Å; F75-L116 WeakPolarHBondContact CD2-O 3.24Å; F75-L116 HydrophobicContact CE1-CD2 4.12Å; F75-L116 HydrophobicContact CE2-CB 4.35Å; F75-L116 HydrophobicContact CE2-CD2 4.1Å; F75-L116 WeakPolarHBondContact CE2-O 3.43Å; F75-L116 HydrophobicContact CG-CD2 4.02Å; F75-L116 HydrophobicContact CZ-CD2 4.13Å; F77-L116 HydrophobicContact CE2-CD1 4.28Å; F77-L116 HydrophobicContact CE2-CD2 4.45Å; V92-L116 HydrophobicContact CB-CD1 4.34Å; V92-L116 HydrophobicContact CG1-CD1 3.66Å; V92-L116 HydrophobicContact CG2-CD1 3.65Å; I97-L116 HydrophobicContact CD1-CD1 3.82Å; I97-L116 HydrophobicContact CD1-CG 4.5Å; I112-L116 HydrophobicContact CG2-CD1 3.85Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 WeakPolarHBondContact O-CG 3.21Å; I112-L116 PolarHBondContact O-N 2.84Å; C113-L116 PolarHBondContact O-N 3.15Å
117	F	69.1	Low	68.6	Low	2 Å²	2	66.4 Å²	66.4	1%	0.009	31%	0.307	C	S	.	.	S	Bend	trans	-140.8	132	-174.2	-57.1	-69.7	0	0	0	109.6	F77 T90 V92 C113 R119 G120 C189 Q191	F77-F117 HydrophobicContact CD2-CE1 4.28Å; F77-F117 AromaticContact CD2-CZ 3.85Å; F77-F117 HydrophobicContact CD2-CZ 3.85Å; T90-F117 HydrophobicContact CG2-CE1 3.79Å; T90-F117 HydrophobicContact CG2-CE2 4.24Å; T90-F117 HydrophobicContact CG2-CZ 3.32Å; V92-F117 HydrophobicContact CG2-CE2 3.97Å; V92-F117 HydrophobicContact CG2-CZ 4.4Å; C113-F117 PolarHBondContact O-N 3.13Å; F117-R119 PolarHBondContact O-N 2.8Å; F117-G120 PolarHBondContact O-N 2.64Å; F117-C189 HydrophobicContact CD2-CB 3.56Å; F117-C189 HydrophobicContact CE2-CB 3.48Å; F117-C189 VanDerWaalsContact CE2-CB 3.48Å; F117-Q191 HydrophobicContact CB-CG 3.73Å; F117-Q191 HydrophobicContact CD1-CG 4.34Å; F117-Q191 HydrophobicContact CG-CG 4.07Å
118	H	66.7	Low	67.9	Low	140 Å²	140	59.1 Å²	59.1	65%	0.648	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	110.9	173.1	178.4	-85.8	0	0	0	110.1	G120	H118-G120 VanDerWaalsContact C-N 3.32Å
119	R	70.1	Confident	67.1	Low	194 Å²	194	58 Å²	58	73%	0.732	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	17	-171.2	-54.6	174.4	175.9	-179.8	-1.7	115.4	F117	F117-R119 PolarHBondContact O-N 2.8Å
120	G	73.1	Confident	66.3	Low	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.			trans	-63.5	137.8	174	0	0	0	0	0	112.3	C113 N114 F117 H118 V190	C113-G120 CarbonylContact C-O 3.5Å; N114-G120 VanDerWaalsContact CA-O 3.26Å; N114-G120 WeakPolarHBondContact CA-O 3.25Å; N114-G120 PolarHBondContact N-O 3.17Å; N114-G120 PolarHBondContact OD1-O 3.3Å; F117-G120 PolarHBondContact O-N 2.64Å; H118-G120 VanDerWaalsContact C-N 3.32Å; G120-V190 CarbonylContact C-O 3.52Å; G120-V190 VanDerWaalsContact CA-O 3.29Å; G120-V190 WeakPolarHBondContact CA-O 3.19Å
121	S	75.5	Confident	65.1	Low	42 Å²	42	63.8 Å²	63.8	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158.2	172.1	54.9	0	0	0	0	110.4	D110 A123 C189 V190	D110-S121 WeakPolarHBondContact OD1-CA 3.39Å; S121-A123 PolarHBondContact O-N 3.2Å; S121-C189 CarbonylContact O-C 3.49Å; S121-C189 WeakPolarHBondContact O-CA 3.31Å; S121-V190 PolarHBondContact N-O 3.23Å; S121-V190 PolarHBondContact O-N 2.91Å
122	L	74.4	Confident	64.2	Low	17 Å²	17	62.7 Å²	62.7	9%	0.089	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	133.7	172.6	-174	67.5	0	0	0	109.8	W105 I106 A109 D110 K124 H187	W105-L122 HydrophobicContact CZ3-CD2 4.21Å; I106-L122 HydrophobicContact CG2-CD2 4Å; A109-L122 HydrophobicContact CB-CD1 3.82Å; A109-L122 HydrophobicContact CB-CD2 4.03Å; A109-L122 HydrophobicContact CB-CG 4.46Å; D110-L122 HydrophobicContact CB-CB 4.08Å; D110-L122 PolarHBondContact OD1-N 3.31Å; L122-K124 PolarHBondContact O-N 3.18Å; L122-H187 HydrophobicContact CD1-CB 4.47Å
123	A	67.7	Low	63.2	Low	12 Å²	12	65 Å²	65	10%	0.099	31%	0.312	C	S	.	.			trans	-60.3	124.7	176.5	0	0	0	0	0	110.9	S121 Y125 I188 V190	S121-A123 PolarHBondContact O-N 3.2Å; A123-Y125 VanDerWaalsContact C-N 3.32Å; A123-I188 HydrophobicContact CB-CB 3.86Å; A123-I188 HydrophobicContact CB-CG2 3.63Å; A123-I188 WeakPolarHBondContact CB-O 3.33Å; A123-I188 PolarHBondContact N-O 2.88Å; A123-V190 HydrophobicContact CB-CG2 3.4Å
124	K	63	Low	61.8	Low	143 Å²	143	69.7 Å²	69.7	62%	0.622	34%	0.342	S	S	*	.			trans	-91.6	2.7	176.8	-61.3	-174.5	179.2	-173.3	0	113	L122	L122-K124 PolarHBondContact O-N 3.18Å
125	Y	57.4	Low	60.2	Low	57 Å²	57	72.2 Å²	72.2	22%	0.224	35%	0.352	C	S	.	.	S	Bend	trans	-131.5	160	-176	53.7	-86.2	0	0	0	110.2	D82 N85 L89 A123 F127 V190	D82-Y125 WeakPolarHBondContact OD2-CE2 3.06Å; N85-Y125 WeakPolarHBondContact ND2-CE2 3.4Å; L89-Y125 HydrophobicContact CD1-CE2 4.14Å; L89-Y125 HydrophobicContact CD2-CE2 3.87Å; L89-Y125 WeakPolarHBondContact CD2-OH 3.29Å; L89-Y125 HydrophobicContact CG-CE2 4.48Å; A123-Y125 VanDerWaalsContact C-N 3.32Å; Y125-F127 PolarHBondContact O-N 3.28Å; Y125-V190 HydrophobicContact CE1-CG1 4.35Å; Y125-V190 HydrophobicContact CE1-CG2 4.01Å; Y125-V190 WeakPolarHBondContact OH-CG1 3.34Å
126	R	54.6	Low	59	Low	169 Å²	169	66.4 Å²	66.4	64%	0.638	32%	0.319	S	S	*	.			trans	-61.8	136.2	-178.3	-169.5	174.9	-178.7	161.5	2.9	109.9	P128 D149 G150	R126-P128 WeakPolarHBondContact O-CD 3.33Å; R126-D149 IonicContact NH2-OD1 3.56Å; R126-G150 VanDerWaalsContact CZ-CA 3.49Å; R126-G150 VanDerWaalsContact NH2-CA 3.34Å
127	F	55.4	Low	58	Low	7 Å²	7	67.6 Å²	67.6	3%	0.031	33%	0.33	C	S	.	.			trans	-59.2	127.4	171.9	-161.6	-99.9	0	0	0	109.3	F80 L89 V91 Y125 V129 I132 I188	F80-F127 HydrophobicContact CD2-CE2 4.45Å; F80-F127 AromaticContact CD2-CZ 3.84Å; F80-F127 HydrophobicContact CD2-CZ 3.84Å; F80-F127 AromaticContact CE2-CZ 3.89Å; F80-F127 HydrophobicContact CE2-CZ 3.89Å; L89-F127 HydrophobicContact CB-CE2 4.21Å; L89-F127 HydrophobicContact CD1-CD2 4.34Å; L89-F127 HydrophobicContact CD1-CE2 4.21Å; V91-F127 HydrophobicContact CG2-CD2 4.33Å; V91-F127 HydrophobicContact CG2-CE2 3.48Å; V91-F127 VanDerWaalsContact CG2-CE2 3.48Å; V91-F127 HydrophobicContact CG2-CZ 3.76Å; Y125-F127 PolarHBondContact O-N 3.28Å; F127-V129 VanDerWaalsContact C-N 3.34Å; F127-V129 PolarHBondContact O-N 3.28Å; F127-I132 HydrophobicContact CD1-CD1 4.28Å; F127-I132 HydrophobicContact CD1-CG1 4.03Å; F127-I132 HydrophobicContact CE1-CD1 4.2Å; F127-I132 HydrophobicContact CE1-CG1 3.5Å; F127-I132 VanDerWaalsContact CE1-CG1 3.5Å; F127-I188 HydrophobicContact CB-CD1 3.58Å; F127-I188 HydrophobicContact CD2-CB 4.28Å; F127-I188 HydrophobicContact CD2-CD1 3.57Å; F127-I188 HydrophobicContact CD2-CG1 3.6Å; F127-I188 HydrophobicContact CD2-CG2 3.67Å; F127-I188 HydrophobicContact CE2-CG1 4.23Å; F127-I188 HydrophobicContact CE2-CG2 4.01Å; F127-I188 HydrophobicContact CG-CD1 3.9Å; F127-I188 HydrophobicContact CG-CG1 4.36Å
128	P	52.3	Low	56.4	Low	22 Å²	22	73.1 Å²	73.1	14%	0.143	36%	0.357	C	S	.	.			trans	-70.7	94.5	173.2	30.8	-35.2	0	0	0	108.4	L89 R126 N130 L131	L89-P128 VanDerWaalsContact CD1-CD 3.47Å; L89-P128 HydrophobicContact CD1-CG 3.69Å; R126-P128 WeakPolarHBondContact O-CD 3.33Å; P128-N130 WeakPolarHBondContact CA-OD1 2.99Å; P128-N130 VanDerWaalsContact CB-OD1 3.23Å; P128-N130 WeakPolarHBondContact CB-OD1 3.29Å; P128-N130 PolarHBondContact O-N 2.8Å; P128-N130 VanDerWaalsContact O-N 3.08Å; P128-L131 HydrophobicContact CB-CB 4.49Å; P128-L131 HydrophobicContact CB-CD1 3.93Å; P128-L131 HydrophobicContact CB-CG 3.87Å; P128-L131 HydrophobicContact CG-CB 4.15Å; P128-L131 HydrophobicContact CG-CD1 3.3Å; P128-L131 HydrophobicContact CG-CG 3.7Å; P128-L131 WeakPolarHBondContact O-CB 3.43Å; P128-L131 PolarHBondContact O-N 2.82Å
129	V	52.1	Low	55.1	Low	55 Å²	55	69.8 Å²	69.8	33%	0.333	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-55.8	-28.2	-177.6	-173	0	0	0	0	111.9	F127 L131 I132 D149	F127-V129 VanDerWaalsContact C-N 3.34Å; F127-V129 PolarHBondContact O-N 3.28Å; V129-L131 PolarHBondContact O-N 3.03Å; V129-I132 HydrophobicContact CB-CD1 4.36Å; V129-I132 HydrophobicContact CG1-CD1 3.79Å; V129-I132 WeakPolarHBondContact O-CB 3.41Å; V129-I132 VanDerWaalsContact O-CG1 3.31Å; V129-I132 WeakPolarHBondContact O-CG1 3.29Å; V129-I132 PolarHBondContact O-N 3.23Å; V129-D149 WeakPolarHBondContact CG2-OD1 3.13Å
130	N	51.4	Low	53.7	Low	132 Å²	132	65.1 Å²	65.1	71%	0.706	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66.5	-16.5	174.2	60.6	-46.2	0	0	0	114	P128	P128-N130 WeakPolarHBondContact CA-OD1 2.99Å; P128-N130 VanDerWaalsContact CB-OD1 3.23Å; P128-N130 WeakPolarHBondContact CB-OD1 3.29Å; P128-N130 PolarHBondContact O-N 2.8Å; P128-N130 VanDerWaalsContact O-N 3.08Å
131	L	50.7	Low	52	Low	44 Å²	44	74 Å²	74	23%	0.23	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-89.2	-3.8	174.1	-60.3	-174.2	0	0	0	113	F80 D82 P128 V129 D133	F80-L131 HydrophobicContact CD1-CB 4.47Å; F80-L131 WeakPolarHBondContact CD1-O 3.33Å; F80-L131 WeakPolarHBondContact CE1-O 3.02Å; D82-L131 HydrophobicContact CB-CD1 4.38Å; P128-L131 HydrophobicContact CB-CB 4.49Å; P128-L131 HydrophobicContact CB-CD1 3.93Å; P128-L131 HydrophobicContact CB-CG 3.87Å; P128-L131 HydrophobicContact CG-CB 4.15Å; P128-L131 HydrophobicContact CG-CD1 3.3Å; P128-L131 HydrophobicContact CG-CG 3.7Å; P128-L131 WeakPolarHBondContact O-CB 3.43Å; P128-L131 PolarHBondContact O-N 2.82Å; V129-L131 PolarHBondContact O-N 3.03Å; L131-D133 PolarHBondContact O-N 3.4Å
132	I	53.5	Low	50.2	Low	21 Å²	21	82.1 Å²	82.1	11%	0.108	39%	0.389	C	S	.	.			trans	-68.8	106.1	177.4	-61.5	174.6	0	0	0	109.1	F127 V129 W136 R140 L147	F127-I132 HydrophobicContact CD1-CD1 4.28Å; F127-I132 HydrophobicContact CD1-CG1 4.03Å; F127-I132 HydrophobicContact CE1-CD1 4.2Å; F127-I132 HydrophobicContact CE1-CG1 3.5Å; F127-I132 VanDerWaalsContact CE1-CG1 3.5Å; V129-I132 HydrophobicContact CB-CD1 4.36Å; V129-I132 HydrophobicContact CG1-CD1 3.79Å; V129-I132 WeakPolarHBondContact O-CB 3.41Å; V129-I132 VanDerWaalsContact O-CG1 3.31Å; V129-I132 WeakPolarHBondContact O-CG1 3.29Å; V129-I132 PolarHBondContact O-N 3.23Å; I132-W136 HydrophobicContact CG2-CB 3.47Å; I132-W136 VanDerWaalsContact CG2-CB 3.47Å; I132-W136 HydrophobicContact CG2-CG 4.45Å; I132-R140 VanDerWaalsContact CD1-NH2 3.3Å; I132-L147 HydrophobicContact CD1-CD1 3.51Å
133	D	50.5	Low	48.3	Very low	69 Å²	69	84.6 Å²	84.6	37%	0.369	40%	0.4	S	S	.	.			trans	-58.3	145.8	172.4	-167.1	-63.8	0	0	0	111.1	F80 L131 E135 W136 S137	F80-D133 HydrophobicContact CE1-CB 4.11Å; L131-D133 PolarHBondContact O-N 3.4Å; D133-E135 PolarHBondContact O-N 2.73Å; D133-E135 WeakPolarHBondContact OD1-CG 3.05Å; D133-E135 PolarHBondContact OD1-N 3.42Å; D133-W136 WeakPolarHBondContact O-CB 3.37Å; D133-W136 PolarHBondContact O-N 2.86Å; D133-S137 PolarHBondContact O-N 2.04Å
134	P	44.2	Very low	46.9	Very low	98 Å²	98	88.7 Å²	88.7	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-45.6	-29.8	168.8	11.9	-26.6	0	0	0	114.9	W136 S137 M138	P134-W136 VanDerWaalsContact C-N 3.33Å; P134-W136 PolarHBondContact O-N 3.27Å; P134-S137 WeakPolarHBondContact O-CB 2.89Å; P134-S137 PolarHBondContact O-N 3.01Å; P134-S137 VanDerWaalsContact O-N 3.16Å; P134-M138 PolarHBondContact O-N 3.11Å; P134-M138 VanDerWaalsContact O-N 3.08Å
135	E	43.5	Very low	45.7	Very low	134 Å²	134	82.8 Å²	82.8	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-59.7	-39.4	173.4	-69.7	-179	170.4	0	0	112.9	D133 S137 M138 L139	D133-E135 PolarHBondContact O-N 2.73Å; D133-E135 WeakPolarHBondContact OD1-CG 3.05Å; D133-E135 PolarHBondContact OD1-N 3.42Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-M138 WeakPolarHBondContact O-CB 2.91Å; E135-M138 PolarHBondContact O-N 3.17Å; E135-M138 VanDerWaalsContact O-N 3.16Å; E135-L139 PolarHBondContact O-N 3.22Å; E135-L139 VanDerWaalsContact O-N 3.09Å
136	W	49.2	Very low	44.6	Very low	11 Å²	11	81.3 Å²	81.3	4%	0.042	40%	0.401	C	S	.	.	H	α-helix	trans	-71.3	-31.1	174.9	-88.1	84.3	0	0	0	113	P78 F80 V91 I132 D133 P134 M138 L139 R140 I145	P78-W136 HydrophobicContact CG-CZ2 3.58Å; F80-W136 AromaticContact CE2-CD1 3.95Å; F80-W136 AromaticContact CE2-CE2 3.94Å; F80-W136 AromaticContact CE2-NE1 3.41Å; F80-W136 AromaticContact CZ-CD1 3.24Å; F80-W136 HydrophobicContact CZ-CD2 4.44Å; F80-W136 AromaticContact CZ-CG 3.96Å; F80-W136 HydrophobicContact CZ-CG 3.96Å; F80-W136 AromaticContact CZ-NE1 3.18Å; V91-W136 HydrophobicContact CB-CH2 3.23Å; V91-W136 HydrophobicContact CB-CZ2 3.47Å; V91-W136 VanDerWaalsContact CB-CZ2 3.47Å; V91-W136 HydrophobicContact CB-CZ3 3.93Å; V91-W136 HydrophobicContact CG1-CE3 4.44Å; V91-W136 HydrophobicContact CG1-CH2 3.17Å; V91-W136 HydrophobicContact CG1-CZ2 3.95Å; V91-W136 HydrophobicContact CG1-CZ3 3.44Å; V91-W136 VanDerWaalsContact CG1-CZ3 3.44Å; V91-W136 HydrophobicContact CG2-CH2 4.2Å; V91-W136 HydrophobicContact CG2-CZ2 4.2Å; I132-W136 HydrophobicContact CG2-CB 3.47Å; I132-W136 VanDerWaalsContact CG2-CB 3.47Å; I132-W136 HydrophobicContact CG2-CG 4.45Å; D133-W136 WeakPolarHBondContact O-CB 3.37Å; D133-W136 PolarHBondContact O-N 2.86Å; P134-W136 VanDerWaalsContact C-N 3.33Å; P134-W136 PolarHBondContact O-N 3.27Å; W136-M138 PolarHBondContact O-N 3.15Å; W136-L139 HydrophobicContact CD2-CD1 4.23Å; W136-L139 HydrophobicContact CE3-CD1 4.3Å; W136-L139 PolarHBondContact O-N 3.31Å; W136-R140 PolarHBondContact O-N 3.37Å; W136-I145 HydrophobicContact CZ3-CD1 4.29Å; W136-I145 HydrophobicContact CZ3-CG2 4.34Å
137	S	43.7	Very low	44	Very low	50 Å²	50	74.3 Å²	74.3	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-66.3	-28.4	171.2	-61.2	0	0	0	0	111.7	D133 P134 E135	D133-S137 PolarHBondContact O-N 2.04Å; P134-S137 WeakPolarHBondContact O-CB 2.89Å; P134-S137 PolarHBondContact O-N 3.01Å; P134-S137 VanDerWaalsContact O-N 3.16Å; E135-S137 VanDerWaalsContact C-N 3.34Å
138	M	35.8	Very low	43.3	Very low	118 Å²	118	75.9 Å²	75.9	58%	0.581	38%	0.384	S	S	*	.	H	α-helix	trans	-73.3	-39	170.7	-65.7	-171	69.1	0	0	112.3	P134 E135 W136 R140 K141 R142	P134-M138 PolarHBondContact O-N 3.11Å; P134-M138 VanDerWaalsContact O-N 3.08Å; E135-M138 WeakPolarHBondContact O-CB 2.91Å; E135-M138 PolarHBondContact O-N 3.17Å; E135-M138 VanDerWaalsContact O-N 3.16Å; W136-M138 PolarHBondContact O-N 3.15Å; M138-R140 VanDerWaalsContact C-N 3.35Å; M138-K141 PolarHBondContact O-N 3.14Å; M138-K141 VanDerWaalsContact O-N 3.16Å; M138-R142 PolarHBondContact O-N 3.09Å
139	L	38.4	Very low	42.4	Very low	70 Å²	70	77.7 Å²	77.7	37%	0.366	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-42.5	174.1	-72.8	169.1	0	0	0	111.4	E135 W136 K141 R142 E143 I145	E135-L139 PolarHBondContact O-N 3.22Å; E135-L139 VanDerWaalsContact O-N 3.09Å; W136-L139 HydrophobicContact CD2-CD1 4.23Å; W136-L139 HydrophobicContact CE3-CD1 4.3Å; W136-L139 PolarHBondContact O-N 3.31Å; L139-K141 PolarHBondContact O-N 3.43Å; L139-K141 VanDerWaalsContact O-N 3.16Å; L139-R142 PolarHBondContact O-N 3.36Å; L139-E143 PolarHBondContact O-N 2.79Å; L139-I145 HydrophobicContact CB-CD1 3.67Å
140	R	41	Very low	41.4	Very low	96 Å²	96	76.5 Å²	76.5	36%	0.362	39%	0.391	S	S	.	.	H	α-helix	trans	-57	-27.5	173.3	-80.9	-164.5	-91.5	-170.3	-3.6	114.6	I132 W136 M138 E143 I145	I132-R140 VanDerWaalsContact CD1-NH2 3.3Å; W136-R140 PolarHBondContact O-N 3.37Å; M138-R140 VanDerWaalsContact C-N 3.35Å; R140-E143 CarbonylContact C-O 3.37Å; R140-I145 HydrophobicContact CG-CB 4.22Å; R140-I145 HydrophobicContact CG-CG2 4.38Å
141	K	38.4	Very low	40.5	Very low	188 Å²	188	71.7 Å²	71.7	82%	0.817	37%	0.368	S	S	*	.	H	α-helix	trans	-81.7	-22.7	177.8	-73.6	-178.1	179.8	-179.2	0	113.1	M138 L139	M138-K141 PolarHBondContact O-N 3.14Å; M138-K141 VanDerWaalsContact O-N 3.16Å; L139-K141 PolarHBondContact O-N 3.43Å; L139-K141 VanDerWaalsContact O-N 3.16Å
142	R	36	Very low	39.7	Very low	211 Å²	211	76.9 Å²	76.9	80%	0.796	39%	0.391	S	S	*	.	H	α-helix	trans	-101.1	-27.9	-176.7	-70.6	-172	176.9	-165.8	-0.1	113	M138 L139	M138-R142 PolarHBondContact O-N 3.09Å; L139-R142 PolarHBondContact O-N 3.36Å
143	E	36.2	Very low	38.9	Very low	70 Å²	70	77.8 Å²	77.8	33%	0.327	40%	0.395	S	S	.	.	S	Bend	trans	-131.8	139.5	179.4	-64.3	-174.7	160.5	0	0	109.6	L139 R140 I145	L139-E143 PolarHBondContact O-N 2.79Å; R140-E143 CarbonylContact C-O 3.37Å; E143-I145 HydrophobicContact CB-CD1 4.31Å; E143-I145 HydrophobicContact CB-CG1 4Å; E143-I145 PolarHBondContact O-N 3.24Å
144	P	37.1	Very low	38.1	Very low	97 Å²	97	77.1 Å²	77.1	63%	0.63	39%	0.392	S	S	*	.			trans	-70.9	78	174.7	30	-33.4	0	0	0	110	A146	P144-A146 PolarHBondContact O-N 2.83Å
145	I	38.4	Very low	37.5	Very low	19 Å²	19	77.1 Å²	77.1	10%	0.097	39%	0.386	C	S	.	.			trans	-84.2	99.1	176.9	-66.4	175.2	0	0	0	107	W136 L139 R140 E143 L147 V186	W136-I145 HydrophobicContact CZ3-CD1 4.29Å; W136-I145 HydrophobicContact CZ3-CG2 4.34Å; L139-I145 HydrophobicContact CB-CD1 3.67Å; R140-I145 HydrophobicContact CG-CB 4.22Å; R140-I145 HydrophobicContact CG-CG2 4.38Å; E143-I145 HydrophobicContact CB-CD1 4.31Å; E143-I145 HydrophobicContact CB-CG1 4Å; E143-I145 PolarHBondContact O-N 3.24Å; I145-L147 HydrophobicContact CG2-CG 4.17Å; I145-L147 PolarHBondContact O-N 2.85Å; I145-L147 VanDerWaalsContact O-N 3.16Å; I145-V186 HydrophobicContact CB-CG2 4.12Å; I145-V186 HydrophobicContact CG2-CB 4.41Å; I145-V186 HydrophobicContact CG2-CG1 4.37Å; I145-V186 HydrophobicContact CG2-CG2 3.37Å
146	A	34.3	Very low	37	Very low	27 Å²	27	75.8 Å²	75.8	22%	0.223	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	89.1	167.2	0	0	0	0	0	108	P144 L148 Q184 V186	P144-A146 PolarHBondContact O-N 2.83Å; A146-L148 PolarHBondContact O-N 3.22Å; A146-Q184 WeakPolarHBondContact CB-O 3.42Å; A146-Q184 PolarHBondContact N-O 3.42Å; A146-V186 VanDerWaalsContact O-CB 3.24Å; A146-V186 WeakPolarHBondContact O-CB 3.35Å; A146-V186 WeakPolarHBondContact O-CG2 3.34Å; A146-V186 PolarHBondContact O-N 3Å; A146-V186 VanDerWaalsContact O-N 3.15Å
147	L	42.1	Very low	36.6	Very low	21 Å²	21	78.3 Å²	78.3	11%	0.11	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	131.7	160	-71.6	159.8	0	0	0	106.2	V91 I132 I145 D149 V186	V91-L147 HydrophobicContact CG1-CD2 4.35Å; I132-L147 HydrophobicContact CD1-CD1 3.51Å; I145-L147 HydrophobicContact CG2-CG 4.17Å; I145-L147 PolarHBondContact O-N 2.85Å; I145-L147 VanDerWaalsContact O-N 3.16Å; L147-D149 HydrophobicContact CB-CB 4.13Å; L147-D149 PolarHBondContact O-N 2.86Å; L147-V186 HydrophobicContact CD2-CG1 4.05Å
148	L	40.8	Very low	36.3	Very low	41 Å²	41	84.1 Å²	84.1	22%	0.215	42%	0.416	C	S	.	.			trans	-66.3	63.2	164.2	-76.8	163.8	0	0	0	108.2	W101 W105 A146 G150 I185	W101-L148 HydrophobicContact CH2-CD2 3.94Å; W101-L148 HydrophobicContact CZ3-CD2 4Å; W105-L148 HydrophobicContact CH2-CD1 4.36Å; A146-L148 PolarHBondContact O-N 3.22Å; L148-G150 PolarHBondContact O-N 3.13Å; L148-I185 HydrophobicContact CD1-CG2 3.71Å; L148-I185 HydrophobicContact CG-CG2 4.11Å
149	D	33.5	Very low	36.4	Very low	60 Å²	60	86 Å²	86	32%	0.321	43%	0.428	S	S	.	.			trans	-84.3	88.9	-179.8	-163.9	-7.8	0	0	0	106.6	R126 V129 L147	R126-D149 IonicContact NH2-OD1 3.56Å; V129-D149 WeakPolarHBondContact CG2-OD1 3.13Å; L147-D149 HydrophobicContact CB-CB 4.13Å; L147-D149 PolarHBondContact O-N 2.86Å
150	G	31.4	Very low	36.4	Very low	29 Å²	29	85.2 Å²	85.2	30%	0.299	43%	0.426	S	S	.	.	S	Bend	trans	99.7	16.2	162.9	0	0	0	0	0	117.9	R126 L148 E152	R126-G150 VanDerWaalsContact CZ-CA 3.49Å; R126-G150 VanDerWaalsContact NH2-CA 3.34Å; L148-G150 PolarHBondContact O-N 3.13Å; G150-E152 PolarHBondContact O-N 3.46Å
151	C	32.9	Very low	36.1	Very low	32 Å²	32	92.3 Å²	92.3	22%	0.216	45%	0.453	C	S	.	.			trans	-81	101.3	157.2	-79.7	0	0	0	0	109.3	I153 R176 C178	C151-I153 PolarHBondContact O-N 3.26Å; C151-R176 WeakPolarHBondContact CB-O 3.24Å; C151-R176 PolarHBondContact SG-O 2.89Å; C151-C178 WeakPolarHBondContact CB-SG 3.4Å; C151-C178 PolarHBondContact N-SG 2.98Å; C151-C178 VanDerWaalsContact N-SG 3.41Å; C151-C178 WeakPolarHBondContact SG-CA 3.17Å; C151-C178 WeakPolarHBondContact SG-CB 3.36Å; C151-C178 PolarHBondContact SG-N 3.39Å; C151-C178 CovalentContact SG-SG 2.05Å; C151-C178 PolarHBondContact SG-SG 3.44Å
152	E	32.8	Very low	36.3	Very low	153 Å²	153	86.4 Å²	86.4	72%	0.715	43%	0.43	S	S	*	.			trans	-55	118.9	174.9	-170.8	177	-162.1	0	0	109.8	G150 N154	G150-E152 PolarHBondContact O-N 3.46Å; E152-N154 PolarHBondContact O-N 2.8Å
153	I	37.4	Very low	36	Very low	40 Å²	40	84.4 Å²	84.4	21%	0.205	44%	0.435	C	S	.	.			trans	-71.1	104.9	161.2	-57.4	172.3	0	0	0	104.8	C151 L155 D173 Y175	C151-I153 PolarHBondContact O-N 3.26Å; I153-L155 HydrophobicContact CB-CD2 4.49Å; I153-L155 HydrophobicContact CG2-CD2 3.53Å; I153-L155 HydrophobicContact CG2-CG 4.14Å; I153-L155 PolarHBondContact O-N 2.88Å; I153-L155 VanDerWaalsContact O-N 3.15Å; I153-D173 HydrophobicContact CG2-CB 4.19Å; I153-Y175 HydrophobicContact CD1-CD1 4.44Å; I153-Y175 HydrophobicContact CD1-CE1 3.77Å; I153-Y175 HydrophobicContact CG1-CD1 4.01Å; I153-Y175 HydrophobicContact CG1-CE1 3.8Å; I153-Y175 HydrophobicContact CG2-CD1 4.48Å; I153-Y175 HydrophobicContact CG2-CE1 4.07Å
154	N	33.8	Very low	36	Very low	54 Å²	54	83.4 Å²	83.4	29%	0.289	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-79.8	101.3	174.5	-168.5	-26.8	0	0	0	108	E152 N156 L174	E152-N154 PolarHBondContact O-N 2.8Å; N154-N156 PolarHBondContact O-N 3.33Å; N154-N156 VanDerWaalsContact O-N 3.17Å; N154-N156 PolarHBondContact OD1-N 3.19Å; N154-N156 VanDerWaalsContact OD1-N 3.11Å; N154-L174 PolarHBondContact N-O 2.96Å; N154-L174 PolarHBondContact O-N 3.17Å; N154-L174 VanDerWaalsContact O-N 3.14Å
155	L	31.7	Very low	35.9	Very low	98 Å²	98	84.4 Å²	84.4	51%	0.513	45%	0.453	S	S	.	.			trans	-77.4	16.4	-178.9	-59.7	171.7	0	0	0	113.2	I153 D173	I153-L155 HydrophobicContact CB-CD2 4.49Å; I153-L155 HydrophobicContact CG2-CD2 3.53Å; I153-L155 HydrophobicContact CG2-CG 4.14Å; I153-L155 PolarHBondContact O-N 2.88Å; I153-L155 VanDerWaalsContact O-N 3.15Å; L155-D173 WeakPolarHBondContact CA-OD1 3.34Å; L155-D173 HydrophobicContact CD2-CB 4.05Å; L155-D173 WeakPolarHBondContact CD2-OD1 3.26Å
156	N	32.7	Very low	36	Very low	106 Å²	106	87.5 Å²	87.5	57%	0.567	47%	0.47	S	S	*	.			trans	-134.8	77.3	-172.8	-146.9	-6.6	0	0	0	112.5	N154 K158	N154-N156 PolarHBondContact O-N 3.33Å; N154-N156 VanDerWaalsContact O-N 3.17Å; N154-N156 PolarHBondContact OD1-N 3.19Å; N154-N156 VanDerWaalsContact OD1-N 3.11Å; N156-K158 PolarHBondContact O-N 2.96Å
157	I	39.9	Very low	36.3	Very low	65 Å²	65	88.4 Å²	88.4	33%	0.333	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	63	172.2	-60	174.4	0	0	0	110.7	N172 L174	I157-N172 WeakPolarHBondContact CD1-O 3.4Å; I157-N172 WeakPolarHBondContact CG1-O 3.35Å; I157-L174 HydrophobicContact CD1-CB 4.21Å; I157-L174 HydrophobicContact CD1-CD1 4.32Å; I157-L174 HydrophobicContact CG1-CB 4.08Å; I157-L174 HydrophobicContact CG1-CD1 3.96Å
158	K	38.5	Very low	36.1	Very low	172 Å²	172	88.5 Å²	88.5	75%	0.748	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-18.9	168.4	-82.3	-173.4	176.1	-179.4	0	115	N156	N156-K158 PolarHBondContact O-N 2.96Å
159	N	36.9	Very low	36	Very low	156 Å²	156	91.9 Å²	91.9	83%	0.834	49%	0.492	S	S	*	.	S	Bend	trans	-156.9	22.7	-174.4	-78.8	-45.8	0	0	0	117.6
160	V	38.5	Very low	36.2	Very low	54 Å²	54	94.1 Å²	94.1	33%	0.327	50%	0.499	S	S	.	.			trans	-101.1	109.6	-174.8	-173.6	0	0	0	0	112.2	L162 L174	V160-L162 HydrophobicContact CG1-CD2 4.09Å; V160-L162 PolarHBondContact O-N 2.88Å; V160-L174 HydrophobicContact CB-CD1 4.34Å
161	W	35.3	Very low	36.9	Very low	246 Å²	246	95.6 Å²	95.6	93%	0.932	51%	0.514	S	S	*	.			trans	-68.4	118.3	165.4	-73.8	79	0	0	0	109.5
162	L	42.7	Very low	37.3	Very low	64 Å²	64	100 Å²	100	34%	0.335	54%	0.536	S	S	.	.			trans	-98.9	92.3	179.5	-68.3	168.4	0	0	0	111	V160 V167 I169 L174	V160-L162 HydrophobicContact CG1-CD2 4.09Å; V160-L162 PolarHBondContact O-N 2.88Å; L162-V167 HydrophobicContact CD1-CB 4.4Å; L162-V167 HydrophobicContact CD1-CG1 3.78Å; L162-V167 HydrophobicContact CD2-CG1 4.31Å; L162-V167 HydrophobicContact CD2-CG2 3.98Å; L162-I169 HydrophobicContact CD1-CD1 4.34Å; L162-L174 HydrophobicContact CD1-CD1 3.61Å; L162-L174 HydrophobicContact CD1-CD2 4Å; L162-L174 HydrophobicContact CD1-CG 3.89Å; L162-L174 HydrophobicContact CD2-CD1 3.95Å; L162-L174 HydrophobicContact CD2-CD2 3.47Å; L162-L174 VanDerWaalsContact CD2-CD2 3.47Å; L162-L174 HydrophobicContact CD2-CG 4.19Å; L162-L174 HydrophobicContact CG-CD1 3.98Å; L162-L174 HydrophobicContact CG-CD2 4.26Å
163	N	30	Very low	37.7	Very low	169 Å²	169	94.5 Å²	94.5	90%	0.904	51%	0.511	S	S	*	.			trans	-94.1	92.4	159.4	-87.4	-8.9	0	0	0	108.1
164	G	36.1	Very low	37.7	Very low	49 Å²	49	92.9 Å²	92.9	51%	0.505	50%	0.502	S	S	.	.			trans	171.5	119.2	176.1	0	0	0	0	0	111.8	D166	G164-D166 PolarHBondContact O-N 3.14Å
165	S	35.4	Very low	38.1	Very low	118 Å²	118	91.3 Å²	91.3	83%	0.825	49%	0.493	S	S	*	.	S	Bend	trans	-68	8.2	-168.6	38.5	0	0	0	0	117
166	D	40.4	Very low	38.7	Very low	84 Å²	84	93.2 Å²	93.2	45%	0.449	49%	0.493	S	S	.	.			trans	-129.8	39.1	-169	-66.5	-53.7	0	0	0	113.2	G164 P177	G164-D166 PolarHBondContact O-N 3.14Å; D166-P177 HydrophobicContact CB-CG 3.85Å; D166-P177 WeakPolarHBondContact O-CD 3.23Å
167	V	39	Very low	39.2	Very low	45 Å²	45	90.6 Å²	90.6	27%	0.273	48%	0.482	S	S	.	.			trans	-113.1	120.7	-177.8	-177.8	0	0	0	0	109.4	L162 I169 L174	L162-V167 HydrophobicContact CD1-CB 4.4Å; L162-V167 HydrophobicContact CD1-CG1 3.78Å; L162-V167 HydrophobicContact CD2-CG1 4.31Å; L162-V167 HydrophobicContact CD2-CG2 3.98Å; V167-I169 HydrophobicContact CG1-CG1 4.26Å; V167-L174 HydrophobicContact CG1-CD2 3.52Å; V167-L174 HydrophobicContact CG1-CG 4.02Å
168	S	39.7	Very low	39.4	Very low	24 Å²	24	88.9 Å²	88.9	17%	0.168	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.8	164.9	69.6	0	0	0	0	109.3	W105 I106 Y175	W105-S168 PolarHBondContact NE1-OG 3.12Å; W105-S168 VanDerWaalsContact NE1-OG 3.09Å; I106-S168 VanDerWaalsContact CD1-OG 3.31Å; I106-S168 WeakPolarHBondContact CD1-OG 3.36Å; S168-Y175 WeakPolarHBondContact O-CD2 3.37Å; S168-Y175 PolarHBondContact O-N 3.47Å
169	I	36.6	Very low	39.6	Very low	112 Å²	112	86.6 Å²	86.6	57%	0.574	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.6	174.4	-59.7	171.7	0	0	0	107	L162 V167	L162-I169 HydrophobicContact CD1-CD1 4.34Å; V167-I169 HydrophobicContact CG1-CG1 4.26Å
170	F	37.7	Very low	39.8	Very low	107 Å²	107	86.1 Å²	86.1	47%	0.469	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	106.8	169	-168.3	-93.3	0	0	0	108.8	I106 D173 Y175	I106-F170 HydrophobicContact CD1-CB 3.84Å; F170-D173 PolarHBondContact N-O 3.4Å; F170-D173 PolarHBondContact O-N 3.42Å; F170-Y175 HydrophobicContact CB-CE2 4.27Å
171	G	47.5	Very low	39.8	Very low	59 Å²	59	86.2 Å²	86.2	61%	0.608	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-135.1	-172.8	0	0	0	0	0	112.7	D173	G171-D173 PolarHBondContact O-N 3.38Å
172	N	41.8	Very low	39.8	Very low	126 Å²	126	81.6 Å²	81.6	67%	0.674	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	13.2	178.7	-73.2	-14.8	0	0	0	113.3	I157	I157-N172 WeakPolarHBondContact CD1-O 3.4Å; I157-N172 WeakPolarHBondContact CG1-O 3.35Å
173	D	39.9	Very low	39.3	Very low	36 Å²	36	80 Å²	80	19%	0.193	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.3	-172.4	-56.5	-29.9	0	0	0	111.2	I153 L155 F170 G171 Y175	I153-D173 HydrophobicContact CG2-CB 4.19Å; L155-D173 WeakPolarHBondContact CA-OD1 3.34Å; L155-D173 HydrophobicContact CD2-CB 4.05Å; L155-D173 WeakPolarHBondContact CD2-OD1 3.26Å; F170-D173 PolarHBondContact N-O 3.4Å; F170-D173 PolarHBondContact O-N 3.42Å; G171-D173 PolarHBondContact O-N 3.38Å; D173-Y175 HydrophobicContact CB-CE2 3.91Å
174	L	38	Very low	39.8	Very low	6 Å²	6	76.6 Å²	76.6	3%	0.031	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.4	-169.5	-150.4	157.6	0	0	0	109.3	N154 I157 V160 L162 V167 R176	N154-L174 PolarHBondContact N-O 2.96Å; N154-L174 PolarHBondContact O-N 3.17Å; N154-L174 VanDerWaalsContact O-N 3.14Å; I157-L174 HydrophobicContact CD1-CB 4.21Å; I157-L174 HydrophobicContact CD1-CD1 4.32Å; I157-L174 HydrophobicContact CG1-CB 4.08Å; I157-L174 HydrophobicContact CG1-CD1 3.96Å; V160-L174 HydrophobicContact CB-CD1 4.34Å; L162-L174 HydrophobicContact CD1-CD1 3.61Å; L162-L174 HydrophobicContact CD1-CD2 4Å; L162-L174 HydrophobicContact CD1-CG 3.89Å; L162-L174 HydrophobicContact CD2-CD1 3.95Å; L162-L174 HydrophobicContact CD2-CD2 3.47Å; L162-L174 VanDerWaalsContact CD2-CD2 3.47Å; L162-L174 HydrophobicContact CD2-CG 4.19Å; L162-L174 HydrophobicContact CG-CD1 3.98Å; L162-L174 HydrophobicContact CG-CD2 4.26Å; V167-L174 HydrophobicContact CG1-CD2 3.52Å; V167-L174 HydrophobicContact CG1-CG 4.02Å; L174-R176 HydrophobicContact CD2-CG 4.49Å
175	Y	42.3	Very low	40.2	Very low	21 Å²	21	75.6 Å²	75.6	8%	0.082	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.9	-174.1	-63	-102.4	0	0	0	110.1	W105 I106 I153 S168 F170 D173	W105-Y175 HydrophobicContact CH2-CD1 4.34Å; W105-Y175 AromaticContact CZ2-CD1 3.9Å; W105-Y175 HydrophobicContact CZ2-CD1 3.9Å; W105-Y175 HydrophobicContact CZ2-CE1 4.47Å; W105-Y175 HydrophobicContact CZ2-CG 4.4Å; I106-Y175 HydrophobicContact CD1-CD1 4.04Å; I106-Y175 HydrophobicContact CD1-CD2 3.43Å; I106-Y175 VanDerWaalsContact CD1-CD2 3.43Å; I106-Y175 HydrophobicContact CD1-CE1 3.85Å; I106-Y175 HydrophobicContact CD1-CE2 3.23Å; I106-Y175 HydrophobicContact CD1-CG 3.84Å; I106-Y175 VanDerWaalsContact CD1-CZ 3.43Å; I106-Y175 HydrophobicContact CG1-CD1 4.49Å; I106-Y175 HydrophobicContact CG1-CE1 4.22Å; I106-Y175 HydrophobicContact CG1-CE2 4.38Å; I153-Y175 HydrophobicContact CD1-CD1 4.44Å; I153-Y175 HydrophobicContact CD1-CE1 3.77Å; I153-Y175 HydrophobicContact CG1-CD1 4.01Å; I153-Y175 HydrophobicContact CG1-CE1 3.8Å; I153-Y175 HydrophobicContact CG2-CD1 4.48Å; I153-Y175 HydrophobicContact CG2-CE1 4.07Å; S168-Y175 WeakPolarHBondContact O-CD2 3.37Å; S168-Y175 PolarHBondContact O-N 3.47Å; F170-Y175 HydrophobicContact CB-CE2 4.27Å; D173-Y175 HydrophobicContact CB-CE2 3.91Å
176	R	43.4	Very low	40.8	Very low	139 Å²	139	70 Å²	70	53%	0.525	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-103.3	140.8	175.9	-71.7	-175.4	178.7	179.7	-0.2	111	C151 L174	C151-R176 WeakPolarHBondContact CB-O 3.24Å; C151-R176 PolarHBondContact SG-O 2.89Å; L174-R176 HydrophobicContact CD2-CG 4.49Å
177	P	43.2	Very low	41.7	Very low	50 Å²	50	66.1 Å²	66.1	33%	0.325	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-70.7	145.5	172.5	31.2	-33.2	0	0	0	109.9	W101 D166	W101-P177 HydrophobicContact CZ2-CB 4.12Å; D166-P177 HydrophobicContact CB-CG 3.85Å; D166-P177 WeakPolarHBondContact O-CD 3.23Å
178	C	45.1	Very low	42.8	Very low	30 Å²	30	64.5 Å²	64.5	20%	0.203	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-79.9	122.9	173.5	-80.1	0	0	0	0	106.6	C151 D180 A181	C151-C178 WeakPolarHBondContact CB-SG 3.4Å; C151-C178 PolarHBondContact N-SG 2.98Å; C151-C178 VanDerWaalsContact N-SG 3.41Å; C151-C178 WeakPolarHBondContact SG-CA 3.17Å; C151-C178 WeakPolarHBondContact SG-CB 3.36Å; C151-C178 PolarHBondContact SG-N 3.39Å; C151-C178 CovalentContact SG-SG 2.05Å; C151-C178 PolarHBondContact SG-SG 3.44Å; C178-D180 PolarHBondContact O-N 3.46Å; C178-A181 HydrophobicContact CB-CB 4.02Å; C178-A181 WeakPolarHBondContact O-CB 3.42Å; C178-A181 PolarHBondContact O-N 3.43Å
179	P	42.1	Very low	43.8	Very low	123 Å²	123	63.3 Å²	63.3	80%	0.799	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21	-172.1	19.5	-30	0	0	0	113.2
180	D	40.3	Very low	44.9	Very low	146 Å²	146	58.1 Å²	58.1	78%	0.781	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	7.2	-179.4	-55.3	-38.3	0	0	0	114	C178 T182	C178-D180 PolarHBondContact O-N 3.46Å; D180-T182 PolarHBondContact O-N 2.91Å
181	A	40	Very low	45.8	Very low	56 Å²	56	56 Å²	56	46%	0.463	33%	0.328	S	S	.	.			trans	-80.8	78.4	-179.5	0	0	0	0	0	111.4	C178 G183	C178-A181 HydrophobicContact CB-CB 4.02Å; C178-A181 WeakPolarHBondContact O-CB 3.42Å; C178-A181 PolarHBondContact O-N 3.43Å; A181-G183 PolarHBondContact O-N 3.38Å
182	T	34.5	Very low	45.7	Very low	149 Å²	149	55.8 Å²	55.8	91%	0.914	31%	0.314	S	S	*	.			trans	-88.4	18.5	170.6	54.6	0	0	0	0	113.1	D180	D180-T182 PolarHBondContact O-N 2.91Å
183	G	33.3	Very low	45.9	Very low	32 Å²	32	52.1 Å²	52.1	33%	0.33	30%	0.295	S	S	.	.	S	Bend	trans	-139.9	167.7	-166.1	0	0	0	0	0	113.9	A181	A181-G183 PolarHBondContact O-N 3.38Å
184	Q	38.6	Very low	46.3	Very low	97 Å²	97	53 Å²	53	45%	0.453	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60.1	134.5	-174.8	-53.7	172.5	-25.5	0	0	111.3	T94 A146 V186	T94-Q184 HydrophobicContact CG2-CB 3.32Å; T94-Q184 PolarHBondContact OG1-OE1 3.3Å; A146-Q184 WeakPolarHBondContact CB-O 3.42Å; A146-Q184 PolarHBondContact N-O 3.42Å; Q184-V186 PolarHBondContact O-N 3.39Å
185	I	46.1	Very low	46.8	Very low	27 Å²	27	55.8 Å²	55.8	14%	0.138	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	120.1	-174.3	-62.3	128.4	0	0	0	111.3	T94 W101 L148	T94-I185 WeakPolarHBondContact CG2-O 3.42Å; W101-I185 HydrophobicContact CB-CD1 3.85Å; W101-I185 HydrophobicContact CD2-CD1 4.07Å; W101-I185 HydrophobicContact CE3-CD1 3.33Å; W101-I185 HydrophobicContact CE3-CG1 3.67Å; W101-I185 HydrophobicContact CG-CD1 4.32Å; W101-I185 HydrophobicContact CZ3-CD1 4.17Å; W101-I185 HydrophobicContact CZ3-CG1 4.03Å; W101-I185 HydrophobicContact CZ3-CG2 4.32Å; L148-I185 HydrophobicContact CD1-CG2 3.71Å; L148-I185 HydrophobicContact CG-CG2 4.11Å
186	V	48.4	Very low	47	Very low	1 Å²	1	57.9 Å²	57.9	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.9	176.8	176.1	0	0	0	0	109.1	V91 T94 I145 A146 L147 Q184	V91-V186 HydrophobicContact CB-CG1 4.43Å; V91-V186 HydrophobicContact CG1-CB 4.48Å; V91-V186 HydrophobicContact CG1-CG1 2.98Å; T94-V186 HydrophobicContact CG2-CG2 4.07Å; I145-V186 HydrophobicContact CB-CG2 4.12Å; I145-V186 HydrophobicContact CG2-CB 4.41Å; I145-V186 HydrophobicContact CG2-CG1 4.37Å; I145-V186 HydrophobicContact CG2-CG2 3.37Å; A146-V186 VanDerWaalsContact O-CB 3.24Å; A146-V186 WeakPolarHBondContact O-CB 3.35Å; A146-V186 WeakPolarHBondContact O-CG2 3.34Å; A146-V186 PolarHBondContact O-N 3Å; A146-V186 VanDerWaalsContact O-N 3.15Å; L147-V186 HydrophobicContact CD2-CG1 4.05Å; Q184-V186 PolarHBondContact O-N 3.39Å
187	H	59.3	Low	47.3	Very low	2 Å²	2	52.5 Å²	52.5	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.8	-179.3	-59.4	-67.6	0	0	0	110.3	V92 V99 A109 L122	V92-H187 HydrophobicContact CB-CB 4.46Å; V92-H187 PolarHBondContact N-O 3.19Å; V99-H187 WeakPolarHBondContact CB-NE2 3.47Å; V99-H187 VanDerWaalsContact CG2-NE2 3.29Å; V99-H187 WeakPolarHBondContact CG2-NE2 3.06Å; A109-H187 VanDerWaalsContact CB-ND1 3.33Å; A109-H187 WeakPolarHBondContact CB-ND1 3.47Å; L122-H187 HydrophobicContact CD1-CB 4.47Å
188	I	60.7	Low	47.6	Very low	11 Å²	11	52.7 Å²	52.7	6%	0.056	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.6	175.7	-58.7	145.5	0	0	0	106.9	L89 V91 A123 F127	L89-I188 HydrophobicContact CB-CG2 4.46Å; L89-I188 HydrophobicContact CD2-CG2 3.91Å; V91-I188 HydrophobicContact CG2-CG1 4.34Å; A123-I188 HydrophobicContact CB-CB 3.86Å; A123-I188 HydrophobicContact CB-CG2 3.63Å; A123-I188 WeakPolarHBondContact CB-O 3.33Å; A123-I188 PolarHBondContact N-O 2.88Å; F127-I188 HydrophobicContact CB-CD1 3.58Å; F127-I188 HydrophobicContact CD2-CB 4.28Å; F127-I188 HydrophobicContact CD2-CD1 3.57Å; F127-I188 HydrophobicContact CD2-CG1 3.6Å; F127-I188 HydrophobicContact CD2-CG2 3.67Å; F127-I188 HydrophobicContact CE2-CG1 4.23Å; F127-I188 HydrophobicContact CE2-CG2 4.01Å; F127-I188 HydrophobicContact CG-CD1 3.9Å; F127-I188 HydrophobicContact CG-CG1 4.36Å
189	C	61.9	Low	47.8	Very low	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	145.6	174.2	-59.4	0	0	0	0	110.3	L89 T90 V92 C113 F117 S121	L89-C189 CarbonylContact C-O 3.47Å; L89-C189 WeakPolarHBondContact CA-O 3.18Å; T90-C189 PolarHBondContact N-O 3.09Å; T90-C189 PolarHBondContact O-N 3.42Å; V92-C189 VanDerWaalsContact CG2-SG 3.53Å; C113-C189 WeakPolarHBondContact CA-SG 3.47Å; C113-C189 HydrophobicContact CB-CB 3.64Å; C113-C189 WeakPolarHBondContact CB-SG 3.21Å; C113-C189 WeakPolarHBondContact SG-CA 3.19Å; C113-C189 WeakPolarHBondContact SG-CB 3.18Å; C113-C189 CovalentContact SG-SG 2.04Å; C113-C189 PolarHBondContact SG-SG 2.85Å; F117-C189 HydrophobicContact CD2-CB 3.56Å; F117-C189 HydrophobicContact CE2-CB 3.48Å; F117-C189 VanDerWaalsContact CE2-CB 3.48Å; S121-C189 CarbonylContact O-C 3.49Å; S121-C189 WeakPolarHBondContact O-CA 3.31Å
190	V	59.6	Low	48.2	Very low	3 Å²	3	48.8 Å²	48.8	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.1	-179.5	-169.7	0	0	0	0	109	K87 C88 L89 G120 S121 A123 Y125	K87-V190 HydrophobicContact CB-CG1 3.59Å; K87-V190 HydrophobicContact CD-CG1 3.26Å; K87-V190 HydrophobicContact CG-CG1 4.03Å; C88-V190 CarbonylContact O-C 3.57Å; C88-V190 VanDerWaalsContact O-CA 3.26Å; C88-V190 WeakPolarHBondContact O-CA 3.46Å; L89-V190 HydrophobicContact CD2-CB 4.43Å; L89-V190 HydrophobicContact CD2-CG1 4.37Å; L89-V190 HydrophobicContact CD2-CG2 3.66Å; G120-V190 CarbonylContact C-O 3.52Å; G120-V190 VanDerWaalsContact CA-O 3.29Å; G120-V190 WeakPolarHBondContact CA-O 3.19Å; S121-V190 PolarHBondContact N-O 3.23Å; S121-V190 PolarHBondContact O-N 2.91Å; A123-V190 HydrophobicContact CB-CG2 3.4Å; Y125-V190 HydrophobicContact CE1-CG1 4.35Å; Y125-V190 HydrophobicContact CE1-CG2 4.01Å; Y125-V190 WeakPolarHBondContact OH-CG1 3.34Å
191	Q	56.1	Low	49	Very low	61 Å²	61	39.9 Å²	39.9	29%	0.285	24%	0.243	S	C	.	.			trans	-99.9	0	171.5	-67.5	175.1	-40.7	0	0	111.3	P72 C88 F117	P72-Q191 PolarHBondContact O-NE2 3.21Å; P72-Q191 PolarHBondContact O-OE1 2.9Å; P72-Q191 VanDerWaalsContact O-OE1 3.13Å; C88-Q191 HydrophobicContact CB-CB 3.89Å; C88-Q191 PolarHBondContact N-O 3.31Å; C88-Q191 VanDerWaalsContact N-O 3.12Å; C88-Q191 PolarHBondContact O-N 3.39Å; F117-Q191 HydrophobicContact CB-CG 3.73Å; F117-Q191 HydrophobicContact CD1-CG 4.34Å; F117-Q191 HydrophobicContact CG-CG 4.07Å

Retrieved 191 of 191 residues in 31.9 ms (Link to these results)

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