A0A077Z5Y6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5Y6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 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	33.9	Very low	26.6	Very low	250 Å²	250	159.4 Å²	159.4	100%	1.232	83%	0.832	S	S	*	*				0	111.4	0	-100.7	165.2	119.7	0	0	107.5
2	M	29.1	Very low	26.3	Very low	199 Å²	199	153.2 Å²	153.2	98%	0.98	84%	0.836	S	S	*	*			trans	-71.2	142	-175.2	-71.3	175.9	-174.1	0	0	110.7	A4	M2-A4 PolarHBondContact O-N 2.59Å
3	K	24.7	Very low	26.3	Very low	196 Å²	196	150.2 Å²	150.2	85%	0.852	81%	0.813	S	S	*	*			trans	-62.9	125.2	177.7	-71.8	178.6	172.8	-178.8	0	109.7	E5	K3-E5 PolarHBondContact O-N 3.02Å
4	A	24.1	Very low	26.3	Very low	103 Å²	103	149.6 Å²	149.6	85%	0.851	82%	0.817	S	S	*	*			trans	-76.2	100.6	160.4	0	0	0	0	0	107	M2 E6	M2-A4 PolarHBondContact O-N 2.59Å; A4-E6 PolarHBondContact O-N 3.33Å
5	E	25.2	Very low	26.7	Very low	180 Å²	180	152.6 Å²	152.6	84%	0.841	81%	0.811	S	S	*	*			trans	-69.5	116.3	162	-72	-177.7	149.8	0	0	106.9	K3 E7	K3-E5 PolarHBondContact O-N 3.02Å; E5-E7 PolarHBondContact O-N 3.34Å; E5-E7 VanDerWaalsContact O-N 3.09Å
6	E	25.7	Very low	27.1	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	78%	0.783	S	S	*	*			trans	-66.3	105.2	-179.6	-168.4	176.7	163	0	0	109	A4 I8	A4-E6 PolarHBondContact O-N 3.33Å; E6-I8 PolarHBondContact O-N 3.38Å
7	E	24.4	Very low	27.5	Very low	187 Å²	187	148.9 Å²	148.9	87%	0.874	79%	0.794	S	S	*	*			trans	-65.8	107.6	175.8	-148.5	175	-164.6	0	0	108.5	E5 P9	E5-E7 PolarHBondContact O-N 3.34Å; E5-E7 VanDerWaalsContact O-N 3.09Å; E7-P9 WeakPolarHBondContact O-CD 3.45Å
8	I	26.8	Very low	27.9	Very low	97 Å²	97	146.4 Å²	146.4	50%	0.497	78%	0.781	S	S	.	*	P	Polyproline II helix	trans	-66.4	118.6	174.9	-58.3	173.7	0	0	0	107	E6 E10	E6-I8 PolarHBondContact O-N 3.38Å; I8-E10 PolarHBondContact O-N 3.15Å
9	P	25.6	Very low	28.3	Very low	97 Å²	97	141.4 Å²	141.4	63%	0.63	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-67.7	128.3	-178.8	13.3	-9.4	0	0	0	109.6	E7 A11	E7-P9 WeakPolarHBondContact O-CD 3.45Å; P9-A11 PolarHBondContact O-N 3.03Å
10	E	26.1	Very low	28.9	Very low	172 Å²	172	139.6 Å²	139.6	80%	0.804	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-50.4	122.7	177.7	-67.6	-174.7	140.4	0	0	110.2	I8 G12	I8-E10 PolarHBondContact O-N 3.15Å; E10-G12 PolarHBondContact O-N 3.49Å
11	A	26.6	Very low	29.3	Very low	90 Å²	90	138.5 Å²	138.5	74%	0.744	73%	0.734	S	S	*	*			trans	-58.8	114.5	168.4	0	0	0	0	0	107.9	P9 E13	P9-A11 PolarHBondContact O-N 3.03Å; A11-E13 PolarHBondContact O-N 3.21Å
12	G	23.4	Very low	29.5	Very low	85 Å²	85	128.1 Å²	128.1	88%	0.876	69%	0.685	S	S	*	*			trans	-68.8	59.5	-179.3	0	0	0	0	0	114.5	E10	E10-G12 PolarHBondContact O-N 3.49Å
13	E	25.7	Very low	29.9	Very low	114 Å²	114	126 Å²	126	53%	0.533	67%	0.666	S	S	.	*	S	Bend	trans	-109	128.8	156.2	-74.7	-173.5	170.8	0	0	107.8	A11 R15 R123	A11-E13 PolarHBondContact O-N 3.21Å; E13-R15 PolarHBondContact O-N 2.84Å; E13-R123 IonicContact OE1-NH2 2.86Å; E13-R123 IonicContact OE2-CZ 2.74Å; E13-R123 IonicContact OE2-NH1 3.97Å; E13-R123 PolarHBondContact OE2-NH1 2.85Å; E13-R123 IonicContact OE2-NH2 2.83Å; E13-R123 PolarHBondContact OE2-NH2 3.27Å
14	T	26.6	Very low	30.9	Very low	142 Å²	142	117 Å²	117	87%	0.871	63%	0.627	S	S	*	*			trans	-43.4	105.8	172.7	44.4	0	0	0	0	110.8	G16	T14-G16 PolarHBondContact O-N 2.9Å; T14-G16 VanDerWaalsContact O-N 3.13Å
15	R	33	Very low	31.8	Very low	195 Å²	195	114.3 Å²	114.3	74%	0.736	61%	0.605	S	S	*	*			trans	-59.3	110.4	178.3	-161.8	176.8	-174.2	171.5	0.4	108.2	E13	E13-R15 PolarHBondContact O-N 2.84Å
16	G	32.6	Very low	32.7	Very low	35 Å²	35	111.2 Å²	111.2	36%	0.361	59%	0.594	S	S	.	*			trans	-74.3	144.5	170	0	0	0	0	0	108.8	T14 N18 D19	T14-G16 PolarHBondContact O-N 2.9Å; T14-G16 VanDerWaalsContact O-N 3.13Å; G16-N18 PolarHBondContact O-N 3.18Å; G16-D19 PolarHBondContact N-OD2 3.39Å; G16-D19 PolarHBondContact O-N 3.27Å
17	E	34.6	Very low	33.4	Very low	208 Å²	208	103.5 Å²	103.5	97%	0.972	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-10.6	176.4	-75.7	-178.9	142	0	0	114.1
18	N	33.9	Very low	34	Very low	103 Å²	103	99.3 Å²	99.3	55%	0.551	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	9.4	-179.3	-67.7	-32.9	0	0	0	114.8	G16 Q20	G16-N18 PolarHBondContact O-N 3.18Å; N18-Q20 PolarHBondContact O-N 3.18Å
19	D	36	Very low	34.8	Very low	51 Å²	51	96.7 Å²	96.7	27%	0.273	54%	0.539	S	S	.	.			trans	-83	109.6	-178.4	-68.3	-17.8	0	0	0	111.2	G16 R123	G16-D19 PolarHBondContact N-OD2 3.39Å; G16-D19 PolarHBondContact O-N 3.27Å; D19-R123 WeakPolarHBondContact OD1-CB 3.43Å
20	Q	39.3	Very low	35.3	Very low	105 Å²	105	96.2 Å²	96.2	49%	0.491	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.4	169.9	-78.5	-172.9	-8.1	0	0	110.7	N18 R123 T125	N18-Q20 PolarHBondContact O-N 3.18Å; Q20-R123 PolarHBondContact N-O 3.05Å; Q20-T125 PolarHBondContact O-N 3.38Å; Q20-T125 VanDerWaalsContact O-N 3.09Å
21	I	37.1	Very low	35.4	Very low	117 Å²	117	96.6 Å²	96.6	60%	0.6	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	114	172.5	-57.3	177.9	0	0	0	108	T125	I21-T125 WeakPolarHBondContact CA-O 3.27Å
22	T	38.1	Very low	35.9	Very low	33 Å²	33	98.9 Å²	98.9	20%	0.202	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.9	174.1	-57.2	0	0	0	0	109.5	T125 V126 G127 V161	T22-T125 PolarHBondContact N-O 2.87Å; T22-V126 WeakPolarHBondContact O-CA 3.48Å; T22-G127 PolarHBondContact O-N 2.98Å; T22-V161 HydrophobicContact CG2-CG2 3.7Å; T22-V161 WeakPolarHBondContact OG1-CG1 3.35Å; T22-V161 WeakPolarHBondContact OG1-CG2 3.48Å
23	R	38.5	Very low	36.7	Very low	155 Å²	155	96.6 Å²	96.6	59%	0.585	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.8	172.6	-62.1	179.4	173.2	-178.9	-1.6	108.9	A25 D26	R23-A25 PolarHBondContact O-N 2.78Å; R23-A25 VanDerWaalsContact O-N 3.11Å; R23-D26 WeakPolarHBondContact CB-OD2 3.23Å; R23-D26 PolarHBondContact O-N 2.74Å
24	L	45.1	Very low	37.2	Very low	6 Å²	6	94.5 Å²	94.5	3%	0.031	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-57.4	-29.2	179.3	-145	91.2	0	0	0	112.5	D26 A27 V126 G127 I128 Y138 F139 L149 A153 C157	L24-D26 PolarHBondContact O-N 2.86Å; L24-A27 PolarHBondContact O-N 2.68Å; L24-V126 HydrophobicContact CD1-CG1 3.46Å; L24-V126 VanDerWaalsContact CD1-CG1 3.46Å; L24-G127 PolarHBondContact N-O 3.45Å; L24-I128 HydrophobicContact CD1-CG1 4.43Å; L24-Y138 HydrophobicContact CD2-CD1 4.12Å; L24-Y138 HydrophobicContact CD2-CD2 3.7Å; L24-Y138 HydrophobicContact CD2-CE2 4.26Å; L24-Y138 HydrophobicContact CD2-CG 3.58Å; L24-Y138 HydrophobicContact CG-CD2 4.46Å; L24-F139 HydrophobicContact CD2-CE2 4.41Å; L24-L149 HydrophobicContact CD2-CD1 4.08Å; L24-A153 HydrophobicContact CD2-CB 4.4Å; L24-C157 HydrophobicContact CD1-CB 3.68Å
25	A	42.9	Very low	37.6	Very low	46 Å²	46	90.7 Å²	90.7	38%	0.38	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-60.2	-29.6	175.6	0	0	0	0	0	113.9	R23 H135	R23-A25 PolarHBondContact O-N 2.78Å; R23-A25 VanDerWaalsContact O-N 3.11Å; A25-H135 WeakPolarHBondContact CB-CE1 3.25Å
26	D	43.9	Very low	37.8	Very low	116 Å²	116	87.1 Å²	87.1	62%	0.62	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-96.7	-0.8	-173.4	-55.8	-34.2	0	0	0	111.5	R23 L24 P28	R23-D26 WeakPolarHBondContact CB-OD2 3.23Å; R23-D26 PolarHBondContact O-N 2.74Å; L24-D26 PolarHBondContact O-N 2.86Å; D26-P28 WeakPolarHBondContact O-CD 3.39Å
27	A	40.7	Very low	38	Very low	20 Å²	20	86.6 Å²	86.6	17%	0.165	46%	0.455	C	S	.	.	S	Bend	trans	-80.8	114.9	176	0	0	0	0	0	110	L24 T29 Y138	L24-A27 PolarHBondContact O-N 2.68Å; A27-T29 PolarHBondContact O-N 2.93Å; A27-Y138 PolarHBondContact O-OH 3.43Å
28	P	36.8	Very low	38.1	Very low	99 Å²	99	80 Å²	80	64%	0.643	43%	0.429	S	S	*	.			trans	-67.4	122.4	179.6	25.6	-31	0	0	0	109.9	D26	D26-P28 WeakPolarHBondContact O-CD 3.39Å
29	T	43.5	Very low	38.3	Very low	41 Å²	41	80.3 Å²	80.3	25%	0.252	43%	0.427	S	S	.	.			trans	-116.6	134.3	171.4	37.4	0	0	0	0	112.1	A27 E33 Y138	A27-T29 PolarHBondContact O-N 2.93Å; T29-E33 VanDerWaalsContact CA-OE2 3.31Å; T29-E33 WeakPolarHBondContact CA-OE2 3.39Å; T29-Y138 HydrophobicContact CG2-CE1 3.98Å; T29-Y138 WeakPolarHBondContact CG2-OH 3.48Å; T29-Y138 PolarHBondContact OG1-OH 2.69Å
30	T	36.7	Very low	38.2	Very low	88 Å²	88	80.2 Å²	80.2	54%	0.54	43%	0.426	S	S	.	.			trans	-100.4	157.1	171.8	54.1	0	0	0	0	110.7	D32 E33	T30-D32 VanDerWaalsContact C-N 3.31Å; T30-D32 PolarHBondContact O-N 3.17Å; T30-E33 PolarHBondContact N-OE2 3.36Å; T30-E33 WeakPolarHBondContact O-CB 3.49Å; T30-E33 PolarHBondContact O-N 3.24Å; T30-E33 VanDerWaalsContact O-N 3.15Å; T30-E33 VanDerWaalsContact OG1-CD 3.31Å; T30-E33 WeakPolarHBondContact OG1-CG 3.03Å; T30-E33 PolarHBondContact OG1-OE2 3.44Å
31	F	29.1	Very low	38.2	Very low	180 Å²	180	78.6 Å²	78.6	79%	0.789	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.5	-172.7	-123	-88.4	0	0	0	113.7	E33 L34	F31-E33 VanDerWaalsContact C-N 3.25Å; F31-E33 PolarHBondContact O-N 3.18Å; F31-L34 WeakPolarHBondContact O-CB 3.34Å; F31-L34 PolarHBondContact O-N 3.46Å
32	D	36.4	Very low	38.1	Very low	138 Å²	138	78.9 Å²	78.9	74%	0.738	42%	0.416	S	S	*	.	H	α-helix	trans	-66	-28.3	176.2	-74.7	-30	0	0	0	112.4	T30 L34 A35 E36	T30-D32 VanDerWaalsContact C-N 3.31Å; T30-D32 PolarHBondContact O-N 3.17Å; D32-L34 PolarHBondContact O-N 3.43Å; D32-A35 PolarHBondContact O-N 2.76Å; D32-E36 PolarHBondContact O-N 3.28Å
33	E	40.8	Very low	37.9	Very low	37 Å²	37	83 Å²	83	17%	0.173	44%	0.436	C	S	.	.	H	α-helix	trans	-70.9	-19.8	-178.9	-68.2	171.2	136	0	0	112.7	T29 T30 F31 M37 K156 R160	T29-E33 VanDerWaalsContact CA-OE2 3.31Å; T29-E33 WeakPolarHBondContact CA-OE2 3.39Å; T30-E33 PolarHBondContact N-OE2 3.36Å; T30-E33 WeakPolarHBondContact O-CB 3.49Å; T30-E33 PolarHBondContact O-N 3.24Å; T30-E33 VanDerWaalsContact O-N 3.15Å; T30-E33 VanDerWaalsContact OG1-CD 3.31Å; T30-E33 WeakPolarHBondContact OG1-CG 3.03Å; T30-E33 PolarHBondContact OG1-OE2 3.44Å; F31-E33 VanDerWaalsContact C-N 3.25Å; F31-E33 PolarHBondContact O-N 3.18Å; E33-M37 VanDerWaalsContact O-CG 3.23Å; E33-M37 WeakPolarHBondContact O-CG 3.31Å; E33-M37 PolarHBondContact O-N 3.47Å; E33-K156 PolarHBondContact O-NZ 3.02Å; E33-R160 IonicContact OE1-NH1 3.97Å
34	L	34.9	Very low	37.7	Very low	69 Å²	69	76.6 Å²	76.6	36%	0.361	41%	0.413	S	S	.	.	H	α-helix	trans	-73	-33.7	174.1	-105.6	150.9	0	0	0	112.2	F31 D32 M37 V38	F31-L34 WeakPolarHBondContact O-CB 3.34Å; F31-L34 PolarHBondContact O-N 3.46Å; D32-L34 PolarHBondContact O-N 3.43Å; L34-M37 WeakPolarHBondContact O-CB 3.49Å; L34-M37 PolarHBondContact O-N 2.83Å; L34-V38 PolarHBondContact O-N 3.27Å
35	A	35.5	Very low	37.2	Very low	63 Å²	63	79.2 Å²	79.2	52%	0.521	44%	0.435	S	S	.	.	H	α-helix	trans	-70.5	-42	177	0	0	0	0	0	111.4	D32 M37 V38 E39	D32-A35 PolarHBondContact O-N 2.76Å; A35-M37 VanDerWaalsContact C-N 3.25Å; A35-M37 PolarHBondContact O-N 2.88Å; A35-V38 PolarHBondContact O-N 3.01Å; A35-E39 PolarHBondContact O-N 3.16Å
36	E	36.7	Very low	36.7	Very low	119 Å²	119	81.6 Å²	81.6	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-61.7	-33.6	170.7	-75.4	-175.3	165	0	0	112.6	D32 V38 E39 L40 K156	D32-E36 PolarHBondContact O-N 3.28Å; E36-V38 VanDerWaalsContact C-N 3.29Å; E36-V38 PolarHBondContact O-N 3.31Å; E36-E39 PolarHBondContact O-N 2.85Å; E36-L40 PolarHBondContact O-N 3.42Å; E36-K156 IonicContact OE2-NZ 2.84Å; E36-K156 PolarHBondContact OE2-NZ 3.31Å
37	M	37.4	Very low	36	Very low	24 Å²	24	79.1 Å²	79.1	12%	0.118	45%	0.445	C	S	.	.	H	α-helix	trans	-62	-38.9	175.4	-77.8	169.3	64.4	0	0	111.3	E33 L34 A35 E41 L152 A153 K156	E33-M37 VanDerWaalsContact O-CG 3.23Å; E33-M37 WeakPolarHBondContact O-CG 3.31Å; E33-M37 PolarHBondContact O-N 3.47Å; L34-M37 WeakPolarHBondContact O-CB 3.49Å; L34-M37 PolarHBondContact O-N 2.83Å; A35-M37 VanDerWaalsContact C-N 3.25Å; A35-M37 PolarHBondContact O-N 2.88Å; M37-E41 VanDerWaalsContact O-CB 3.27Å; M37-E41 WeakPolarHBondContact O-CB 3.41Å; M37-E41 PolarHBondContact O-N 2.92Å; M37-L152 HydrophobicContact CG-CD2 4.37Å; M37-L152 WeakPolarHBondContact O-CD1 3.4Å; M37-A153 HydrophobicContact CE-CB 4.2Å; M37-K156 HydrophobicContact CG-CD 4.03Å; M37-K156 HydrophobicContact SD-CD 4.49Å
38	V	37.1	Very low	35.4	Very low	70 Å²	70	80.3 Å²	80.3	42%	0.424	45%	0.451	S	S	.	.	H	α-helix	trans	-68.4	-40	178	175.3	0	0	0	0	111.9	L34 A35 E36 E41 K42	L34-V38 PolarHBondContact O-N 3.27Å; A35-V38 PolarHBondContact O-N 3.01Å; E36-V38 VanDerWaalsContact C-N 3.29Å; E36-V38 PolarHBondContact O-N 3.31Å; V38-E41 PolarHBondContact O-N 3.29Å; V38-K42 WeakPolarHBondContact O-CG 3.4Å; V38-K42 PolarHBondContact O-N 3.36Å
39	E	37.5	Very low	34.9	Very low	110 Å²	110	78.3 Å²	78.3	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-71.9	-39	179.4	-75.1	-56.7	132.6	0	0	112.7	A35 E36 E41 K42 L43	A35-E39 PolarHBondContact O-N 3.16Å; E36-E39 PolarHBondContact O-N 2.85Å; E39-E41 VanDerWaalsContact C-N 3.3Å; E39-E41 PolarHBondContact O-N 3.33Å; E39-K42 PolarHBondContact O-N 3.13Å; E39-K42 IonicContact OE1-NZ 3.21Å; E39-K42 PolarHBondContact OE1-NZ 3.37Å; E39-K42 IonicContact OE2-NZ 2.78Å; E39-L43 PolarHBondContact O-N 3Å
40	L	35.3	Very low	34	Very low	48 Å²	48	81.9 Å²	81.9	25%	0.251	48%	0.475	S	S	.	.	H	α-helix	trans	-69.4	-30.3	174.3	-135.1	95.4	0	0	0	111.8	E36 K42 L43 M44 L152	E36-L40 PolarHBondContact O-N 3.42Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-L43 WeakPolarHBondContact O-CB 3.38Å; L40-L43 PolarHBondContact O-N 3.49Å; L40-L43 VanDerWaalsContact O-N 3.17Å; L40-M44 WeakPolarHBondContact O-CG 3.45Å; L40-M44 PolarHBondContact O-N 3.14Å; L40-L152 HydrophobicContact CB-CD1 4.01Å; L40-L152 HydrophobicContact CB-CD2 3.69Å; L40-L152 HydrophobicContact CB-CG 4.36Å; L40-L152 HydrophobicContact CD2-CD2 3.62Å; L40-L152 HydrophobicContact CD2-CG 4.4Å; L40-L152 HydrophobicContact CG-CD2 4.26Å
41	E	37.8	Very low	33.5	Very low	71 Å²	71	82.6 Å²	82.6	33%	0.332	48%	0.476	S	S	.	.	H	α-helix	trans	-63.6	-40.6	175.5	-164.4	176.7	-165.1	0	0	110.5	M37 V38 E39 L43 M44 A45 L152	M37-E41 VanDerWaalsContact O-CB 3.27Å; M37-E41 WeakPolarHBondContact O-CB 3.41Å; M37-E41 PolarHBondContact O-N 2.92Å; V38-E41 PolarHBondContact O-N 3.29Å; E39-E41 VanDerWaalsContact C-N 3.3Å; E39-E41 PolarHBondContact O-N 3.33Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 2.89Å; E41-M44 PolarHBondContact O-N 2.58Å; E41-A45 WeakPolarHBondContact O-CB 3.27Å; E41-A45 PolarHBondContact O-N 3.04Å; E41-L152 VanDerWaalsContact CA-CD1 3.49Å; E41-L152 HydrophobicContact CB-CD1 3.69Å; E41-L152 HydrophobicContact CG-CD1 4.34Å; E41-L152 VanDerWaalsContact N-CD1 3.3Å
42	K	36.6	Very low	33.3	Very low	123 Å²	123	83.4 Å²	83.4	54%	0.535	48%	0.479	S	S	.	.	H	α-helix	trans	-62.4	-39.1	171.7	-67.1	172.5	-174.9	171	0	112.2	V38 E39 L40 S46	V38-K42 WeakPolarHBondContact O-CG 3.4Å; V38-K42 PolarHBondContact O-N 3.36Å; E39-K42 PolarHBondContact O-N 3.13Å; E39-K42 IonicContact OE1-NZ 3.21Å; E39-K42 PolarHBondContact OE1-NZ 3.37Å; E39-K42 IonicContact OE2-NZ 2.78Å; L40-K42 VanDerWaalsContact C-N 3.34Å; K42-S46 PolarHBondContact O-N 3.38Å
43	L	33	Very low	32.7	Very low	119 Å²	119	83.4 Å²	83.4	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-70.7	-37.9	-178.6	-131.4	139	0	0	0	112.2	E39 L40 E41 S46 A47	E39-L43 PolarHBondContact O-N 3Å; L40-L43 WeakPolarHBondContact O-CB 3.38Å; L40-L43 PolarHBondContact O-N 3.49Å; L40-L43 VanDerWaalsContact O-N 3.17Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 2.89Å; L43-S46 WeakPolarHBondContact O-CB 3.18Å; L43-S46 PolarHBondContact O-N 3.29Å; L43-A47 PolarHBondContact O-N 3.34Å
44	M	34	Very low	31.9	Very low	22 Å²	22	87.8 Å²	87.8	11%	0.108	51%	0.506	C	S	.	.	H	α-helix	trans	-72.7	-39.3	174.4	-67.1	-149.4	-48.4	0	0	112.8	L40 E41 S46 A47 C48 R151 L152 I155	L40-M44 WeakPolarHBondContact O-CG 3.45Å; L40-M44 PolarHBondContact O-N 3.14Å; E41-M44 PolarHBondContact O-N 2.58Å; M44-S46 PolarHBondContact O-N 3.24Å; M44-A47 PolarHBondContact O-N 2.92Å; M44-C48 PolarHBondContact O-N 2.95Å; M44-R151 HydrophobicContact CE-CB 4.29Å; M44-L152 HydrophobicContact CE-CD1 4.14Å; M44-L152 HydrophobicContact CE-CG 4.28Å; M44-I155 HydrophobicContact CE-CD1 4.36Å; M44-I155 HydrophobicContact SD-CD1 4.08Å
45	A	35.7	Very low	31.6	Very low	60 Å²	60	88.3 Å²	88.3	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-59	-31.9	173.8	0	0	0	0	0	111.8	E41 D101	E41-A45 WeakPolarHBondContact O-CB 3.27Å; E41-A45 PolarHBondContact O-N 3.04Å; A45-D101 WeakPolarHBondContact CA-OD2 3.36Å; A45-D101 PolarHBondContact N-OD2 3.01Å
46	S	31.2	Very low	31.2	Very low	97 Å²	97	88.3 Å²	88.3	68%	0.678	52%	0.515	S	S	*	.	H	α-helix	trans	-71.8	-33.6	172.1	159.7	0	0	0	0	113.5	K42 L43 M44	K42-S46 PolarHBondContact O-N 3.38Å; L43-S46 WeakPolarHBondContact O-CB 3.18Å; L43-S46 PolarHBondContact O-N 3.29Å; M44-S46 PolarHBondContact O-N 3.24Å
47	A	28.6	Very low	30.6	Very low	63 Å²	63	89.8 Å²	89.8	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-84.6	-26.1	-177.4	0	0	0	0	0	113.5	L43 M44 G49	L43-A47 PolarHBondContact O-N 3.34Å; M44-A47 PolarHBondContact O-N 2.92Å; A47-G49 PolarHBondContact O-N 2.89Å
48	C	29.5	Very low	30.2	Very low	45 Å²	45	93 Å²	93	30%	0.304	56%	0.557	S	S	.	*			trans	-81.8	14.5	179.6	-82.1	0	0	0	0	114.6	M44 S50	M44-C48 PolarHBondContact O-N 2.95Å; C48-S50 PolarHBondContact O-N 2.94Å
49	G	25.1	Very low	29.7	Very low	57 Å²	57	98.7 Å²	98.7	59%	0.588	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	102.8	172.5	0	0	0	0	0	111.7	A47	A47-G49 PolarHBondContact O-N 2.89Å
50	S	26.3	Very low	29.1	Very low	116 Å²	116	99.1 Å²	99.1	81%	0.811	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.3	58.8	164.6	-41.1	0	0	0	0	117.9	C48	C48-S50 PolarHBondContact O-N 2.94Å
51	L	25.4	Very low	29.1	Very low	104 Å²	104	99 Å²	99	55%	0.545	59%	0.587	S	S	.	*			trans	-113.7	103.6	153.8	-77.6	162.4	0	0	0	109.1
52	K	24.1	Very low	29	Very low	196 Å²	196	98 Å²	98	85%	0.852	59%	0.585	S	S	*	*			trans	-109.6	79.4	177.6	-75.8	-174.9	178.9	177.2	0	109.7
53	Q	24.7	Very low	28.9	Very low	139 Å²	139	98 Å²	98	65%	0.65	59%	0.587	S	S	*	*			trans	-146.8	141.4	153.5	-74.8	-162.5	-27.5	0	0	111.5
54	P	24.4	Very low	29.1	Very low	128 Å²	128	93.2 Å²	93.2	83%	0.831	56%	0.562	S	S	*	*			trans	-79.4	124.7	177.5	17.3	-3.4	0	0	0	110.1	G56	P54-G56 PolarHBondContact O-N 3.21Å
55	L	29	Very low	28.9	Very low	81 Å²	81	96.3 Å²	96.3	42%	0.424	57%	0.572	S	S	.	*			trans	-73.6	113.7	173.9	-94.7	149.5	0	0	0	110
56	G	25.2	Very low	28.9	Very low	63 Å²	63	93.6 Å²	93.6	65%	0.649	55%	0.55	S	S	*	.			trans	-67.6	155	172.5	0	0	0	0	0	112.3	P54 S58	P54-G56 PolarHBondContact O-N 3.21Å; G56-S58 PolarHBondContact O-N 3.22Å; G56-S58 VanDerWaalsContact O-N 3.15Å
57	T	25.7	Very low	28.9	Very low	150 Å²	150	93.7 Å²	93.7	92%	0.92	54%	0.543	S	S	*	.			trans	-59.5	105.4	170.5	49.9	0	0	0	0	110
58	S	27.3	Very low	29.1	Very low	91 Å²	91	91.1 Å²	91.1	64%	0.636	52%	0.52	S	S	*	.			trans	-143.3	139.3	161.6	84.1	0	0	0	0	111.1	G56 N60	G56-S58 PolarHBondContact O-N 3.22Å; G56-S58 VanDerWaalsContact O-N 3.15Å; S58-N60 PolarHBondContact O-N 3.45Å
59	E	27	Very low	29.1	Very low	190 Å²	190	93.7 Å²	93.7	89%	0.888	54%	0.536	S	S	*	.	S	Bend	trans	-71.4	23.4	-174.6	-61.2	174.5	136.1	0	0	113.5
60	N	26.4	Very low	29.3	Very low	118 Å²	118	91.3 Å²	91.3	63%	0.631	51%	0.511	S	S	*	.	S	Bend	trans	-106.7	136.4	-177.9	-106.2	-31.8	0	0	0	110.8	S58 V62	S58-N60 PolarHBondContact O-N 3.45Å; N60-V62 PolarHBondContact O-N 3.2Å; N60-V62 VanDerWaalsContact O-N 3.09Å
61	P	33.7	Very low	29.3	Very low	47 Å²	47	88.4 Å²	88.4	31%	0.305	50%	0.499	S	S	.	.			trans	-59.4	121.5	176.7	25.8	-32.6	0	0	0	108.7	Q63 L89	P61-Q63 VanDerWaalsContact C-N 3.33Å; P61-Q63 PolarHBondContact O-N 3.3Å; P61-L89 HydrophobicContact CB-CD2 3.84Å; P61-L89 HydrophobicContact CG-CD2 4.27Å
62	V	35.8	Very low	29.7	Very low	49 Å²	49	89 Å²	89	30%	0.297	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	95.1	179.1	177.2	0	0	0	0	107.3	N60 Q64 L88	N60-V62 PolarHBondContact O-N 3.2Å; N60-V62 VanDerWaalsContact O-N 3.09Å; V62-Q64 HydrophobicContact CG1-CG 3.64Å; V62-Q64 PolarHBondContact O-N 2.94Å; V62-L88 PolarHBondContact N-O 3.4Å; V62-L88 PolarHBondContact O-N 3.44Å
63	Q	34	Very low	30.2	Very low	124 Å²	124	85.5 Å²	85.5	58%	0.579	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	101.7	170.5	-75.3	-173.1	-14.7	0	0	108.3	P61 A87	P61-Q63 VanDerWaalsContact C-N 3.33Å; P61-Q63 PolarHBondContact O-N 3.3Å; Q63-A87 HydrophobicContact CG-CB 4.29Å
64	Q	37.2	Very low	30.6	Very low	18 Å²	18	86.9 Å²	86.9	8%	0.084	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.3	173.9	-70.3	-178.3	-14.6	0	0	109.2	V62 F86	V62-Q64 HydrophobicContact CG1-CG 3.64Å; V62-Q64 PolarHBondContact O-N 2.94Å; Q64-F86 PolarHBondContact N-O 2.89Å; Q64-F86 PolarHBondContact O-N 3.49Å; Q64-F86 VanDerWaalsContact O-N 3.13Å
65	R	31.5	Very low	31	Very low	86 Å²	86	83.6 Å²	83.6	33%	0.325	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120	-178.5	174.8	-176.2	179.1	-174.2	-5.6	108.1	W85 R173 H175	R65-W85 HydrophobicContact CB-CE3 4.22Å; R65-W85 HydrophobicContact CB-CH2 4.46Å; R65-W85 HydrophobicContact CB-CZ3 4.01Å; R65-W85 VanDerWaalsContact CD-CH2 3.42Å; R65-W85 HydrophobicContact CG-CE3 4.26Å; R65-W85 HydrophobicContact CG-CH2 3.84Å; R65-W85 HydrophobicContact CG-CZ2 4.15Å; R65-W85 HydrophobicContact CG-CZ3 3.89Å; R65-R173 PolarHBondContact N-O 3.45Å; R65-R173 VanDerWaalsContact N-O 3.1Å; R65-R173 WeakPolarHBondContact O-CB 3.37Å; R65-R173 VanDerWaalsContact O-O 3.05Å; R65-H175 HydrophobicContact CB-CB 4.27Å
66	A	34.4	Very low	30.9	Very low	3 Å²	3	86.9 Å²	86.9	3%	0.025	51%	0.514	C	S	.	.			trans	-117.6	125.1	179.2	0	0	0	0	0	110.2	I68 I171	A66-I68 HydrophobicContact CB-CD1 4.46Å; A66-I68 HydrophobicContact CB-CG1 4.1Å; A66-I171 WeakPolarHBondContact CB-O 3.36Å
67	D	32.6	Very low	31	Very low	99 Å²	99	88.1 Å²	88.1	53%	0.529	53%	0.526	S	S	.	.			trans	-86.7	110.7	164.2	-77.6	-44.5	0	0	0	108	Q83	D67-Q83 PolarHBondContact OD1-NE2 2.97Å
68	I	31.8	Very low	31	Very low	10 Å²	10	89 Å²	89	5%	0.051	52%	0.519	C	S	.	.			trans	-106.6	123.4	-178.6	-53.4	176.2	0	0	0	108.4	A66 C70 A84 H169 V170	A66-I68 HydrophobicContact CB-CD1 4.46Å; A66-I68 HydrophobicContact CB-CG1 4.1Å; I68-C70 PolarHBondContact O-N 3.25Å; I68-C70 PolarHBondContact O-SG 3.35Å; I68-C70 VanDerWaalsContact O-SG 3.38Å; I68-A84 HydrophobicContact CD1-CB 3.73Å; I68-H169 WeakPolarHBondContact CD1-O 3.11Å; I68-H169 WeakPolarHBondContact CG1-O 3.42Å; I68-H169 HydrophobicContact CG2-CB 3.52Å; I68-H169 WeakPolarHBondContact CG2-O 3.37Å; I68-V170 HydrophobicContact CD1-CB 4.38Å; I68-V170 HydrophobicContact CD1-CG2 3.91Å
69	P	29.4	Very low	31.1	Very low	98 Å²	98	88.2 Å²	88.2	64%	0.636	52%	0.519	S	S	*	.			trans	-73.8	113.5	164.3	28.2	-27.3	0	0	0	108.3
70	C	29	Very low	31.3	Very low	8 Å²	8	88.1 Å²	88.1	5%	0.054	51%	0.511	C	S	.	.			trans	-110.8	123.1	173.6	-22.2	0	0	0	0	107.1	I68 R80 A82 D166	I68-C70 PolarHBondContact O-N 3.25Å; I68-C70 PolarHBondContact O-SG 3.35Å; I68-C70 VanDerWaalsContact O-SG 3.38Å; C70-R80 VanDerWaalsContact CB-O 3.27Å; C70-R80 WeakPolarHBondContact CB-O 3.12Å; C70-R80 PolarHBondContact O-N 3.37Å; C70-R80 VanDerWaalsContact O-O 3.05Å; C70-A82 HydrophobicContact CB-CB 4.35Å; C70-A82 WeakPolarHBondContact SG-CB 3.1Å; C70-A82 PolarHBondContact SG-N 3.35Å; C70-A82 PolarHBondContact SG-O 2.92Å; C70-D166 HydrophobicContact CB-CB 3.76Å
71	G	27.5	Very low	31.5	Very low	54 Å²	54	91.4 Å²	91.4	56%	0.557	51%	0.514	S	S	*	.			trans	-173.9	118.6	-178.5	0	0	0	0	0	110.2
72	N	32.1	Very low	31.3	Very low	116 Å²	116	90 Å²	90	62%	0.62	51%	0.506	S	S	*	.			trans	-58.7	136.1	165.6	-137.7	1.1	0	0	0	108.7	Q74	N72-Q74 PolarHBondContact O-N 2.97Å
73	P	36.5	Very low	31.1	Very low	123 Å²	123	88.2 Å²	88.2	80%	0.799	50%	0.495	S	S	*	.	S	Bend	trans	-69.4	3	178.1	25.2	-31.5	0	0	0	114.1
74	Q	31.9	Very low	30.9	Very low	168 Å²	168	82.4 Å²	82.4	79%	0.785	47%	0.468	S	S	*	.	S	Bend	trans	-138.4	107.6	-177.4	-71.9	167.9	-8.7	0	0	109.8	N72	N72-Q74 PolarHBondContact O-N 2.97Å
75	G	33.2	Very low	30.7	Very low	60 Å²	60	85.7 Å²	85.7	62%	0.619	48%	0.48	S	S	*	.	S	Bend	trans	120.3	108.9	168.7	0	0	0	0	0	115.2
76	D	27.4	Very low	30.9	Very low	150 Å²	150	82 Å²	82	80%	0.802	47%	0.466	S	S	*	.			trans	72	46.1	148.4	-41.9	-10.7	0	0	0	119.1	H78	D76-H78 PolarHBondContact O-N 3.44Å
77	G	26	Very low	30.9	Very low	88 Å²	88	82.8 Å²	82.8	91%	0.907	47%	0.472	S	S	*	.	S	Bend	trans	54.5	-3.2	143.6	0	0	0	0	0	121.1
78	H	26.8	Very low	31.2	Very low	168 Å²	168	79 Å²	79	78%	0.778	45%	0.452	S	S	*	.			trans	-119.8	94.4	-178.5	-72.9	-62.5	0	0	0	106.5	D76 R80	D76-H78 PolarHBondContact O-N 3.44Å; H78-R80 PolarHBondContact O-N 2.92Å
79	A	30	Very low	31.2	Very low	76 Å²	76	82.2 Å²	82.2	63%	0.628	47%	0.469	S	S	*	.			trans	-50.7	104.1	168.2	0	0	0	0	0	108.6	R81	A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 2.96Å
80	R	29.8	Very low	31.3	Very low	188 Å²	188	78.9 Å²	78.9	71%	0.709	45%	0.448	S	S	*	.			trans	-69.8	91.9	174.7	-72.8	-173.2	-178.8	-164.8	1.8	106.5	C70 H78 A82	C70-R80 VanDerWaalsContact CB-O 3.27Å; C70-R80 WeakPolarHBondContact CB-O 3.12Å; C70-R80 PolarHBondContact O-N 3.37Å; C70-R80 VanDerWaalsContact O-O 3.05Å; H78-R80 PolarHBondContact O-N 2.92Å; R80-A82 PolarHBondContact O-N 3.31Å
81	R	30.5	Very low	31.4	Very low	186 Å²	186	85.6 Å²	85.6	70%	0.702	47%	0.472	S	S	*	.			trans	-67.4	92.1	177.7	-68.3	179.3	175.3	-180	-2.4	109.8	A79	A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 2.96Å
82	A	29.2	Very low	31.6	Very low	17 Å²	17	88.3 Å²	88.3	14%	0.14	48%	0.48	C	S	.	.			trans	-81.5	115.8	163	0	0	0	0	0	108.1	C70 R80	C70-A82 HydrophobicContact CB-CB 4.35Å; C70-A82 WeakPolarHBondContact SG-CB 3.1Å; C70-A82 PolarHBondContact SG-N 3.35Å; C70-A82 PolarHBondContact SG-O 2.92Å; R80-A82 PolarHBondContact O-N 3.31Å
83	Q	31.9	Very low	31.8	Very low	13 Å²	13	85.8 Å²	85.8	6%	0.061	47%	0.466	C	S	.	.			trans	-93.9	107.1	170.4	-77.5	-168.6	-13.3	0	0	108.8	D67 R118	D67-Q83 PolarHBondContact OD1-NE2 2.97Å; Q83-R118 HydrophobicContact CB-CG 4.27Å; Q83-R118 VanDerWaalsContact OE1-NH2 3.14Å
84	A	30.1	Very low	31.8	Very low	2 Å²	2	80.9 Å²	80.9	2%	0.017	43%	0.434	C	S	.	.			trans	-84.6	118.4	171.6	0	0	0	0	0	109.3	I68 F86 T115 F167	I68-A84 HydrophobicContact CD1-CB 3.73Å; A84-F86 HydrophobicContact CB-CE2 3.57Å; A84-F86 HydrophobicContact CB-CZ 3.86Å; A84-T115 HydrophobicContact CB-CG2 4.07Å; A84-F167 HydrophobicContact CB-CD1 4.43Å; A84-F167 HydrophobicContact CB-CE1 3.86Å
85	W	32.3	Very low	32.2	Very low	87 Å²	87	76.8 Å²	76.8	33%	0.33	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.1	169.4	-66.2	71.9	0	0	0	107.8	R65 T114 T115	R65-W85 HydrophobicContact CB-CE3 4.22Å; R65-W85 HydrophobicContact CB-CH2 4.46Å; R65-W85 HydrophobicContact CB-CZ3 4.01Å; R65-W85 VanDerWaalsContact CD-CH2 3.42Å; R65-W85 HydrophobicContact CG-CE3 4.26Å; R65-W85 HydrophobicContact CG-CH2 3.84Å; R65-W85 HydrophobicContact CG-CZ2 4.15Å; R65-W85 HydrophobicContact CG-CZ3 3.89Å; W85-T114 CarbonylContact C-O 3.6Å; W85-T115 PolarHBondContact O-OG1 3.11Å
86	F	36.8	Very low	32.5	Very low	9 Å²	9	75.6 Å²	75.6	4%	0.039	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	99.3	171.7	-64.5	-88.1	0	0	0	107	Q64 A84 V113 L158 V170	Q64-F86 PolarHBondContact N-O 2.89Å; Q64-F86 PolarHBondContact O-N 3.49Å; Q64-F86 VanDerWaalsContact O-N 3.13Å; A84-F86 HydrophobicContact CB-CE2 3.57Å; A84-F86 HydrophobicContact CB-CZ 3.86Å; F86-V113 HydrophobicContact CD1-CG1 3.79Å; F86-V113 HydrophobicContact CE1-CG1 4.14Å; F86-L158 HydrophobicContact CE1-CD1 4.06Å; F86-V170 HydrophobicContact CD2-CG1 4.29Å; F86-V170 HydrophobicContact CE1-CG1 3.89Å; F86-V170 HydrophobicContact CE2-CB 4.38Å; F86-V170 HydrophobicContact CE2-CG1 3.33Å; F86-V170 HydrophobicContact CE2-CG2 4.28Å; F86-V170 HydrophobicContact CZ-CB 4.1Å; F86-V170 HydrophobicContact CZ-CG1 3.11Å; F86-V170 HydrophobicContact CZ-CG2 3.81Å
87	A	33.9	Very low	33	Very low	19 Å²	19	72.4 Å²	72.4	16%	0.157	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104	163.5	0	0	0	0	0	106.6	Q63 L89	Q63-A87 HydrophobicContact CG-CB 4.29Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 2.86Å; A87-L89 VanDerWaalsContact O-N 3.08Å
88	L	38.4	Very low	33.5	Very low	19 Å²	19	71.3 Å²	71.3	10%	0.099	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	94.7	163.7	-148.9	83.2	0	0	0	105.2	V62 S90 V94 W103 V113	V62-L88 PolarHBondContact N-O 3.4Å; V62-L88 PolarHBondContact O-N 3.44Å; L88-S90 PolarHBondContact O-N 3.32Å; L88-V94 HydrophobicContact CD2-CB 4.01Å; L88-V94 HydrophobicContact CD2-CG1 3.36Å; L88-V94 HydrophobicContact CG-CG1 4.33Å; L88-W103 HydrophobicContact CD1-CD2 4.02Å; L88-W103 HydrophobicContact CD1-CE3 3.68Å; L88-W103 HydrophobicContact CD1-CH2 3.99Å; L88-W103 HydrophobicContact CD1-CZ2 4.27Å; L88-W103 HydrophobicContact CD1-CZ3 3.69Å; L88-V113 HydrophobicContact CD1-CG2 4.48Å
89	L	33.3	Very low	33.8	Very low	77 Å²	77	74.6 Å²	74.6	40%	0.403	36%	0.362	S	S	.	.			trans	-72.1	77.6	172.2	-75.9	161.2	0	0	0	107.5	P61 A87 R91 F112	P61-L89 HydrophobicContact CB-CD2 3.84Å; P61-L89 HydrophobicContact CG-CD2 4.27Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 2.86Å; A87-L89 VanDerWaalsContact O-N 3.08Å; L89-R91 PolarHBondContact O-N 3.33Å; L89-F112 HydrophobicContact CB-CB 4.44Å; L89-F112 HydrophobicContact CD1-CB 4.38Å
90	S	31.3	Very low	34.2	Very low	28 Å²	28	72.9 Å²	72.9	20%	0.196	35%	0.348	C	S	.	.			trans	-79.3	108.5	175.2	59.5	0	0	0	0	108.3	L88	L88-S90 PolarHBondContact O-N 3.32Å
91	R	29.9	Very low	35	Very low	150 Å²	150	64.7 Å²	64.7	57%	0.566	32%	0.318	S	S	*	.			trans	-51.9	150.8	137.8	-74.1	-171.9	175.7	177.2	-0.1	107.3	L89 N93	L89-R91 PolarHBondContact O-N 3.33Å; R91-N93 PolarHBondContact O-N 3.34Å
92	P	32.1	Very low	35.7	Very low	110 Å²	110	58.1 Å²	58.1	71%	0.714	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	7.9	-159.4	16.8	-32.2	0	0	0	119
93	N	36.4	Very low	36.9	Very low	64 Å²	64	58.4 Å²	58.4	34%	0.342	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	18	-167.1	-64.2	-22.4	0	0	0	114.4	R91 Q106 A109	R91-N93 PolarHBondContact O-N 3.34Å; N93-Q106 HydrophobicContact CB-CB 4.06Å; N93-Q106 HydrophobicContact CB-CG 4.09Å; N93-Q106 VanDerWaalsContact CG-OE1 3.32Å; N93-Q106 PolarHBondContact O-N 3.38Å; N93-Q106 PolarHBondContact OD1-OE1 3.2Å; N93-A109 HydrophobicContact CB-CB 4.2Å
94	V	36.8	Very low	37.7	Very low	20 Å²	20	58.9 Å²	58.9	12%	0.121	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	176	-162	0	0	0	0	110.2	L88 L105	L88-V94 HydrophobicContact CD2-CB 4.01Å; L88-V94 HydrophobicContact CD2-CG1 3.36Å; L88-V94 HydrophobicContact CG-CG1 4.33Å; V94-L105 HydrophobicContact CB-CD2 4.46Å; V94-L105 HydrophobicContact CG1-CD2 3.92Å; V94-L105 HydrophobicContact CG1-CG 4.35Å; V94-L105 HydrophobicContact CG2-CD2 3.81Å
95	V	39.5	Very low	38.7	Very low	81 Å²	81	58.8 Å²	58.8	49%	0.491	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.7	178.1	-175.5	0	0	0	0	107.9	T104	V95-T104 PolarHBondContact N-O 3.12Å; V95-T104 WeakPolarHBondContact O-CA 3.35Å; V95-T104 WeakPolarHBondContact O-CB 3.18Å; V95-T104 PolarHBondContact O-N 3.34Å
96	S	39.6	Very low	39.5	Very low	36 Å²	36	58.2 Å²	58.2	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.9	170.1	67.4	0	0	0	0	109.4
97	N	37.7	Very low	40.1	Very low	83 Å²	83	60.9 Å²	60.9	44%	0.444	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	95.2	168.5	-170.6	-9.6	0	0	0	108.2	R99 A100 K102	N97-R99 PolarHBondContact O-N 3.46Å; N97-R99 VanDerWaalsContact O-N 3.17Å; N97-R99 PolarHBondContact OD1-N 3.2Å; N97-A100 PolarHBondContact O-N 2.83Å; N97-A100 VanDerWaalsContact O-N 3.1Å; N97-K102 PolarHBondContact N-O 3.02Å
98	E	38.1	Very low	40.8	Very low	65 Å²	65	62.1 Å²	62.1	30%	0.304	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64	-19.7	-174.1	-63.1	-172.8	166	0	0	113.2	A100	E98-A100 VanDerWaalsContact C-N 3.27Å; E98-A100 PolarHBondContact O-N 3.47Å
99	R	32.4	Very low	41.3	Very low	237 Å²	237	61.5 Å²	61.5	89%	0.894	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-74.5	-13.7	175.7	-92.4	-174.8	175.7	-178.1	-1.2	114.4	N97	N97-R99 PolarHBondContact O-N 3.46Å; N97-R99 VanDerWaalsContact O-N 3.17Å; N97-R99 PolarHBondContact OD1-N 3.2Å
100	A	38.6	Very low	42	Very low	39 Å²	39	59.6 Å²	59.6	32%	0.322	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-120	6.5	-168.6	0	0	0	0	0	113.9	N97 E98 K102	N97-A100 PolarHBondContact O-N 2.83Å; N97-A100 VanDerWaalsContact O-N 3.1Å; E98-A100 VanDerWaalsContact C-N 3.27Å; E98-A100 PolarHBondContact O-N 3.47Å; A100-K102 HydrophobicContact CB-CB 4.29Å; A100-K102 HydrophobicContact CB-CD 4.22Å; A100-K102 VanDerWaalsContact O-CD 3.3Å; A100-K102 WeakPolarHBondContact O-CD 3.44Å; A100-K102 WeakPolarHBondContact O-CG 3.27Å; A100-K102 PolarHBondContact O-N 3.25Å
101	D	46.8	Very low	42.9	Very low	16 Å²	16	58.3 Å²	58.3	9%	0.086	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	28.7	-173.3	-72.2	-40.8	0	0	0	114.2	A45 R151	A45-D101 WeakPolarHBondContact CA-OD2 3.36Å; A45-D101 PolarHBondContact N-OD2 3.01Å; D101-R151 WeakPolarHBondContact O-CB 3.46Å
102	K	45.2	Very low	43.7	Very low	48 Å²	48	54.4 Å²	54.4	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.3	-170.3	-74.4	163	-179.9	-163	0	111.8	N97 A100 E148	N97-K102 PolarHBondContact N-O 3.02Å; A100-K102 HydrophobicContact CB-CB 4.29Å; A100-K102 HydrophobicContact CB-CD 4.22Å; A100-K102 VanDerWaalsContact O-CD 3.3Å; A100-K102 WeakPolarHBondContact O-CD 3.44Å; A100-K102 WeakPolarHBondContact O-CG 3.27Å; A100-K102 PolarHBondContact O-N 3.25Å; K102-E148 HydrophobicContact CD-CB 4.38Å; K102-E148 HydrophobicContact CD-CG 4.26Å; K102-E148 WeakPolarHBondContact CD-OE2 3.33Å; K102-E148 IonicContact NZ-OE2 3.9Å; K102-E148 PolarHBondContact NZ-OE2 2.86Å
103	W	53.2	Low	44.6	Very low	24 Å²	24	49.2 Å²	49.2	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.7	168.4	-60.6	-19.6	0	0	0	109.5	L88 V113 E148 L149 R151 V154	L88-W103 HydrophobicContact CD1-CD2 4.02Å; L88-W103 HydrophobicContact CD1-CE3 3.68Å; L88-W103 HydrophobicContact CD1-CH2 3.99Å; L88-W103 HydrophobicContact CD1-CZ2 4.27Å; L88-W103 HydrophobicContact CD1-CZ3 3.69Å; W103-V113 HydrophobicContact CH2-CG1 4.47Å; W103-V113 HydrophobicContact CH2-CG2 3.88Å; W103-V113 HydrophobicContact CZ3-CG2 3.45Å; W103-V113 VanDerWaalsContact CZ3-CG2 3.45Å; W103-E148 CarbonylContact O-C 3.55Å; W103-E148 WeakPolarHBondContact O-CA 3.13Å; W103-L149 HydrophobicContact CB-CB 4.44Å; W103-L149 HydrophobicContact CE3-CD2 3.76Å; W103-L149 HydrophobicContact CZ3-CD2 4.2Å; W103-L149 PolarHBondContact N-O 2.85Å; W103-L149 VanDerWaalsContact N-O 3.1Å; W103-L149 PolarHBondContact O-N 2.7Å; W103-R151 HydrophobicContact CZ2-CG 4.16Å; W103-V154 HydrophobicContact CH2-CG1 4.4Å; W103-V154 HydrophobicContact CZ3-CG1 4.3Å; W103-V154 HydrophobicContact CZ3-CG2 3.96Å
104	T	50.3	Low	45.1	Very low	22 Å²	22	46.8 Å²	46.8	14%	0.135	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.8	178.8	-49.2	0	0	0	0	109.3	V95 R146 F147	V95-T104 PolarHBondContact N-O 3.12Å; V95-T104 WeakPolarHBondContact O-CA 3.35Å; V95-T104 WeakPolarHBondContact O-CB 3.18Å; V95-T104 PolarHBondContact O-N 3.34Å; T104-R146 HydrophobicContact CG2-CB 3.55Å; T104-R146 HydrophobicContact CG2-CG 4.15Å; T104-F147 WeakPolarHBondContact CA-O 3.35Å
105	L	49.4	Very low	45.6	Very low	1 Å²	1	46 Å²	46	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.3	175.6	-71.6	146.9	0	0	0	109.2	V94 A109 A111 I128 A130 F139 R146 F147 L149	V94-L105 HydrophobicContact CB-CD2 4.46Å; V94-L105 HydrophobicContact CG1-CD2 3.92Å; V94-L105 HydrophobicContact CG1-CG 4.35Å; V94-L105 HydrophobicContact CG2-CD2 3.81Å; L105-A109 HydrophobicContact CB-CB 4.34Å; L105-A109 HydrophobicContact CD2-CB 3.9Å; L105-A111 HydrophobicContact CD2-CB 3.61Å; L105-I128 HydrophobicContact CD1-CG2 3.73Å; L105-A130 HydrophobicContact CB-CB 3.75Å; L105-F139 HydrophobicContact CD1-CD1 4.28Å; L105-F139 HydrophobicContact CD1-CE1 3.65Å; L105-R146 CarbonylContact O-C 3.55Å; L105-R146 WeakPolarHBondContact O-CA 3.37Å; L105-F147 HydrophobicContact CB-CB 4.32Å; L105-F147 PolarHBondContact N-O 2.82Å; L105-F147 PolarHBondContact O-N 2.81Å; L105-L149 HydrophobicContact CD1-CB 4.18Å
106	Q	50.4	Low	45.8	Very low	75 Å²	75	43.8 Å²	43.8	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	154.6	164.8	-64.7	-173.9	-0.9	0	0	110.3	N93 G108 A109 A130	N93-Q106 HydrophobicContact CB-CB 4.06Å; N93-Q106 HydrophobicContact CB-CG 4.09Å; N93-Q106 VanDerWaalsContact CG-OE1 3.32Å; N93-Q106 PolarHBondContact O-N 3.38Å; N93-Q106 PolarHBondContact OD1-OE1 3.2Å; Q106-G108 PolarHBondContact O-N 2.76Å; Q106-A109 HydrophobicContact CB-CB 4.48Å; Q106-A109 WeakPolarHBondContact O-CB 3.48Å; Q106-A109 PolarHBondContact O-N 3.21Å; Q106-A130 WeakPolarHBondContact O-CB 3.47Å
107	A	49	Very low	46	Very low	65 Å²	65	42.5 Å²	42.5	54%	0.537	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	133.2	171.4	0	0	0	0	0	110.4	A109 F147	A107-A109 VanDerWaalsContact C-N 3.26Å; A107-A109 PolarHBondContact O-N 2.92Å; A107-F147 HydrophobicContact CB-CE2 3.79Å
108	G	48.4	Very low	46	Very low	45 Å²	45	45 Å²	45	46%	0.464	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	0.2	-174.1	0	0	0	0	0	115.1	Q106	Q106-G108 PolarHBondContact O-N 2.76Å
109	A	47.9	Very low	46	Very low	6 Å²	6	46.6 Å²	46.6	5%	0.05	24%	0.243	C	C	.	.			trans	-77.3	127.8	173.5	0	0	0	0	0	110.7	N93 L105 Q106 A107 N129 A130	N93-A109 HydrophobicContact CB-CB 4.2Å; L105-A109 HydrophobicContact CB-CB 4.34Å; L105-A109 HydrophobicContact CD2-CB 3.9Å; Q106-A109 HydrophobicContact CB-CB 4.48Å; Q106-A109 WeakPolarHBondContact O-CB 3.48Å; Q106-A109 PolarHBondContact O-N 3.21Å; A107-A109 VanDerWaalsContact C-N 3.26Å; A107-A109 PolarHBondContact O-N 2.92Å; A109-N129 PolarHBondContact O-OD1 2.78Å; A109-A130 WeakPolarHBondContact O-CB 3.28Å; A109-A130 PolarHBondContact O-N 2.85Å
110	Q	48.6	Very low	46.6	Very low	36 Å²	36	38.5 Å²	38.5	17%	0.168	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.9	163.7	-72	178	2.2	0	0	109.2	F112 I128 N129	Q110-F112 HydrophobicContact CB-CE2 3.97Å; Q110-F112 HydrophobicContact CB-CZ 4.32Å; Q110-I128 CarbonylContact C-O 3.54Å; Q110-I128 WeakPolarHBondContact CA-O 3.47Å; Q110-N129 HydrophobicContact CG-CB 4.1Å; Q110-N129 WeakPolarHBondContact CG-OD1 3.36Å; Q110-N129 PolarHBondContact NE2-ND2 3.44Å; Q110-N129 VanDerWaalsContact NE2-ND2 3.19Å
111	A	50.1	Low	46.8	Very low	1 Å²	1	39 Å²	39	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.6	165.6	0	0	0	0	0	109.2	L105 I128	L105-A111 HydrophobicContact CD2-CB 3.61Å; A111-I128 HydrophobicContact CB-CB 4.33Å; A111-I128 HydrophobicContact CB-CG2 4.45Å; A111-I128 PolarHBondContact N-O 2.79Å; A111-I128 WeakPolarHBondContact O-CA 3.19Å; A111-I128 WeakPolarHBondContact O-CB 3.43Å; A111-I128 PolarHBondContact O-N 2.8Å
112	F	46.6	Very low	46.7	Very low	69 Å²	69	40.9 Å²	40.9	30%	0.303	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.7	172	-59.6	-88.8	0	0	0	107.6	L89 Q110 T125	L89-F112 HydrophobicContact CB-CB 4.44Å; L89-F112 HydrophobicContact CD1-CB 4.38Å; Q110-F112 HydrophobicContact CB-CE2 3.97Å; Q110-F112 HydrophobicContact CB-CZ 4.32Å; F112-T125 HydrophobicContact CB-CG2 4.38Å; F112-T125 HydrophobicContact CD1-CG2 4.39Å
113	V	52.2	Low	46.9	Very low	1 Å²	1	42 Å²	42	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	105.3	174	-176.6	0	0	0	0	106.9	F86 L88 W103 V126 I128 V154 L158	F86-V113 HydrophobicContact CD1-CG1 3.79Å; F86-V113 HydrophobicContact CE1-CG1 4.14Å; L88-V113 HydrophobicContact CD1-CG2 4.48Å; W103-V113 HydrophobicContact CH2-CG1 4.47Å; W103-V113 HydrophobicContact CH2-CG2 3.88Å; W103-V113 HydrophobicContact CZ3-CG2 3.45Å; W103-V113 VanDerWaalsContact CZ3-CG2 3.45Å; V113-V126 HydrophobicContact CB-CB 4.48Å; V113-V126 PolarHBondContact N-O 2.77Å; V113-V126 PolarHBondContact O-N 3.32Å; V113-I128 HydrophobicContact CG2-CD1 3.78Å; V113-V154 HydrophobicContact CB-CG1 3.88Å; V113-V154 HydrophobicContact CG1-CG1 3.67Å; V113-V154 HydrophobicContact CG2-CG1 3.78Å; V113-L158 HydrophobicContact CG1-CD1 4.21Å
114	T	46.2	Very low	46.6	Very low	13 Å²	13	41 Å²	41	8%	0.08	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.7	178.3	-60.4	0	0	0	0	109.6	W85 R123 V124 T125	W85-T114 CarbonylContact C-O 3.6Å; T114-R123 HydrophobicContact CG2-CG 3.6Å; T114-R123 VanDerWaalsContact CG2-NE 3.32Å; T114-V124 WeakPolarHBondContact CA-O 3.33Å; T114-T125 VanDerWaalsContact CG2-OG1 3.26Å; T114-T125 WeakPolarHBondContact CG2-OG1 3.15Å; T114-T125 WeakPolarHBondContact OG1-CG2 3.41Å; T114-T125 PolarHBondContact OG1-OG1 2.91Å
115	T	48	Very low	46.4	Very low	2 Å²	2	41 Å²	41	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.1	172.4	-70.8	0	0	0	0	109.6	A84 W85 V124 L158 F167	A84-T115 HydrophobicContact CB-CG2 4.07Å; W85-T115 PolarHBondContact O-OG1 3.11Å; T115-V124 PolarHBondContact N-O 3.24Å; T115-V124 PolarHBondContact O-N 3.45Å; T115-V124 VanDerWaalsContact O-O 3.14Å; T115-L158 HydrophobicContact CG2-CD2 4.41Å; T115-L158 VanDerWaalsContact OG1-CD1 3.28Å; T115-L158 WeakPolarHBondContact OG1-CD1 3.26Å; T115-F167 HydrophobicContact CG2-CE1 3.86Å; T115-F167 HydrophobicContact CG2-CZ 3.81Å
116	T	43.9	Very low	46.4	Very low	36 Å²	36	40.9 Å²	40.9	22%	0.221	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.3	174.1	-48.2	0	0	0	0	109.2	R118 Q122 R123	T116-R118 PolarHBondContact O-N 3.35Å; T116-Q122 CarbonylContact C-O 3.56Å; T116-R123 HydrophobicContact CG2-CG 4.47Å
117	I	43.7	Very low	46.2	Very low	8 Å²	8	37.9 Å²	37.9	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	105.3	174.8	-51.9	165.2	0	0	0	107.6	T119 S120 G121 Q122 V124	I117-T119 VanDerWaalsContact C-N 3.26Å; I117-T119 WeakPolarHBondContact CG2-OG1 3.44Å; I117-T119 PolarHBondContact O-N 2.96Å; I117-S120 PolarHBondContact O-N 3.02Å; I117-G121 WeakPolarHBondContact O-CA 3.39Å; I117-G121 PolarHBondContact O-N 3.48Å; I117-Q122 HydrophobicContact CD1-CB 4.34Å; I117-Q122 PolarHBondContact N-O 3.09Å; I117-Q122 PolarHBondContact O-N 3.05Å; I117-V124 HydrophobicContact CD1-CG2 4.26Å
118	R	37.8	Very low	46.3	Very low	137 Å²	137	35 Å²	35	52%	0.517	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.4	-173.9	-114.4	-166.4	177.8	177.3	3.9	114.7	Q83 T116 S120	Q83-R118 HydrophobicContact CB-CG 4.27Å; Q83-R118 VanDerWaalsContact OE1-NH2 3.14Å; T116-R118 PolarHBondContact O-N 3.35Å; R118-S120 VanDerWaalsContact C-N 3.31Å; R118-S120 PolarHBondContact O-N 2.96Å
119	T	37.3	Very low	46.3	Very low	98 Å²	98	34.7 Å²	34.7	60%	0.601	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.9	-177.3	43.8	0	0	0	0	113.1	I117	I117-T119 VanDerWaalsContact C-N 3.26Å; I117-T119 WeakPolarHBondContact CG2-OG1 3.44Å; I117-T119 PolarHBondContact O-N 2.96Å
120	S	44.4	Very low	46.3	Very low	66 Å²	66	34.5 Å²	34.5	46%	0.462	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-11.6	177.5	55.3	0	0	0	0	113.6	I117 R118 Q122	I117-S120 PolarHBondContact O-N 3.02Å; R118-S120 VanDerWaalsContact C-N 3.31Å; R118-S120 PolarHBondContact O-N 2.96Å; S120-Q122 PolarHBondContact O-N 3.24Å; S120-Q122 WeakPolarHBondContact OG-CB 3.39Å; S120-Q122 PolarHBondContact OG-N 3.35Å
121	G	42.6	Very low	46.1	Very low	50 Å²	50	36.3 Å²	36.3	52%	0.515	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	1.7	-167.6	0	0	0	0	0	113.5	I117 R123	I117-G121 WeakPolarHBondContact O-CA 3.39Å; I117-G121 PolarHBondContact O-N 3.48Å; G121-R123 PolarHBondContact O-N 3.4Å
122	Q	45	Very low	45.9	Very low	55 Å²	55	40.9 Å²	40.9	26%	0.257	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.3	-174.4	-164.4	177.9	10.4	0	0	109.8	T116 I117 S120	T116-Q122 CarbonylContact C-O 3.56Å; I117-Q122 HydrophobicContact CD1-CB 4.34Å; I117-Q122 PolarHBondContact N-O 3.09Å; I117-Q122 PolarHBondContact O-N 3.05Å; S120-Q122 PolarHBondContact O-N 3.24Å; S120-Q122 WeakPolarHBondContact OG-CB 3.39Å; S120-Q122 PolarHBondContact OG-N 3.35Å
123	R	50.1	Low	45.3	Very low	73 Å²	73	43.6 Å²	43.6	28%	0.275	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.2	176.5	-143	175.3	-174.6	-173.2	-8.3	108.6	E13 D19 Q20 T114 T116 G121	E13-R123 IonicContact OE1-NH2 2.86Å; E13-R123 IonicContact OE2-CZ 2.74Å; E13-R123 IonicContact OE2-NH1 3.97Å; E13-R123 PolarHBondContact OE2-NH1 2.85Å; E13-R123 IonicContact OE2-NH2 2.83Å; E13-R123 PolarHBondContact OE2-NH2 3.27Å; D19-R123 WeakPolarHBondContact OD1-CB 3.43Å; Q20-R123 PolarHBondContact N-O 3.05Å; T114-R123 HydrophobicContact CG2-CG 3.6Å; T114-R123 VanDerWaalsContact CG2-NE 3.32Å; T116-R123 HydrophobicContact CG2-CG 4.47Å; G121-R123 PolarHBondContact O-N 3.4Å
124	V	46.2	Very low	44.5	Very low	1 Å²	1	46.6 Å²	46.6	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.7	175.5	178.3	0	0	0	0	107.4	T114 T115 I117 V126 L158 V161	T114-V124 WeakPolarHBondContact CA-O 3.33Å; T115-V124 PolarHBondContact N-O 3.24Å; T115-V124 PolarHBondContact O-N 3.45Å; T115-V124 VanDerWaalsContact O-O 3.14Å; I117-V124 HydrophobicContact CD1-CG2 4.26Å; V124-V126 HydrophobicContact CG1-CG2 4.49Å; V124-L158 HydrophobicContact CB-CD2 4.36Å; V124-L158 HydrophobicContact CG1-CD2 3.93Å; V124-V161 HydrophobicContact CG1-CB 3.85Å; V124-V161 HydrophobicContact CG1-CG1 3.43Å; V124-V161 VanDerWaalsContact CG1-CG1 3.43Å; V124-V161 HydrophobicContact CG2-CG1 4.27Å
125	T	46.3	Very low	44.4	Very low	22 Å²	22	47.6 Å²	47.6	14%	0.135	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.1	174.6	-63.2	0	0	0	0	109.5	Q20 I21 T22 F112 T114	Q20-T125 PolarHBondContact O-N 3.38Å; Q20-T125 VanDerWaalsContact O-N 3.09Å; I21-T125 WeakPolarHBondContact CA-O 3.27Å; T22-T125 PolarHBondContact N-O 2.87Å; F112-T125 HydrophobicContact CB-CG2 4.38Å; F112-T125 HydrophobicContact CD1-CG2 4.39Å; T114-T125 VanDerWaalsContact CG2-OG1 3.26Å; T114-T125 WeakPolarHBondContact CG2-OG1 3.15Å; T114-T125 WeakPolarHBondContact OG1-CG2 3.41Å; T114-T125 PolarHBondContact OG1-OG1 2.91Å
126	V	49.3	Very low	43.9	Very low	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115	172.5	178.7	0	0	0	0	108.4	T22 L24 V113 V124 I128 C157 L158	T22-V126 WeakPolarHBondContact O-CA 3.48Å; L24-V126 HydrophobicContact CD1-CG1 3.46Å; L24-V126 VanDerWaalsContact CD1-CG1 3.46Å; V113-V126 HydrophobicContact CB-CB 4.48Å; V113-V126 PolarHBondContact N-O 2.77Å; V113-V126 PolarHBondContact O-N 3.32Å; V124-V126 HydrophobicContact CG1-CG2 4.49Å; V126-I128 HydrophobicContact CG1-CG1 4.43Å; V126-C157 HydrophobicContact CG2-CB 4.45Å; V126-L158 HydrophobicContact CG2-CD2 3.76Å; V126-L158 HydrophobicContact CG2-CG 4.13Å
127	G	46.4	Very low	43.9	Very low	12 Å²	12	59.2 Å²	59.2	12%	0.124	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.3	173.8	0	0	0	0	0	111.3	T22 L24	T22-G127 PolarHBondContact O-N 2.98Å; L24-G127 PolarHBondContact N-O 3.45Å
128	I	51.3	Low	43.7	Very low	5 Å²	5	60 Å²	60	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.7	-179.8	-71	146.8	0	0	0	108.3	L24 L105 Q110 A111 V113 V126 F139 L149 V154	L24-I128 HydrophobicContact CD1-CG1 4.43Å; L105-I128 HydrophobicContact CD1-CG2 3.73Å; Q110-I128 CarbonylContact C-O 3.54Å; Q110-I128 WeakPolarHBondContact CA-O 3.47Å; A111-I128 HydrophobicContact CB-CB 4.33Å; A111-I128 HydrophobicContact CB-CG2 4.45Å; A111-I128 PolarHBondContact N-O 2.79Å; A111-I128 WeakPolarHBondContact O-CA 3.19Å; A111-I128 WeakPolarHBondContact O-CB 3.43Å; A111-I128 PolarHBondContact O-N 2.8Å; V113-I128 HydrophobicContact CG2-CD1 3.78Å; V126-I128 HydrophobicContact CG1-CG1 4.43Å; I128-F139 HydrophobicContact CB-CZ 4.49Å; I128-F139 HydrophobicContact CG2-CE1 3.58Å; I128-F139 HydrophobicContact CG2-CZ 3.36Å; I128-L149 HydrophobicContact CD1-CD2 3.49Å; I128-L149 VanDerWaalsContact CD1-CD2 3.49Å; I128-L149 HydrophobicContact CG1-CD2 4.23Å; I128-L149 HydrophobicContact CG2-CD2 4.37Å; I128-V154 HydrophobicContact CD1-CG2 3.97Å
129	N	48.5	Very low	43.9	Very low	37 Å²	37	53.8 Å²	53.8	20%	0.198	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.8	172.5	-155.5	1.5	0	0	0	110.8	A109 Q110 D131	A109-N129 PolarHBondContact O-OD1 2.78Å; Q110-N129 HydrophobicContact CG-CB 4.1Å; Q110-N129 WeakPolarHBondContact CG-OD1 3.36Å; Q110-N129 PolarHBondContact NE2-ND2 3.44Å; Q110-N129 VanDerWaalsContact NE2-ND2 3.19Å; N129-D131 WeakPolarHBondContact CB-OD1 3.46Å; N129-D131 VanDerWaalsContact CG-CG 3.42Å; N129-D131 VanDerWaalsContact ND2-CG 3.34Å; N129-D131 PolarHBondContact ND2-OD1 2.81Å; N129-D131 PolarHBondContact ND2-OD2 3.44Å; N129-D131 VanDerWaalsContact OD1-CG 3.3Å; N129-D131 PolarHBondContact OD1-OD1 3.1Å; N129-D131 PolarHBondContact OD1-OD2 3.06Å
130	A	47.9	Very low	44.2	Very low	2 Å²	2	57.3 Å²	57.3	2%	0.017	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.8	-170.9	0	0	0	0	0	114.1	L105 Q106 A109 F147	L105-A130 HydrophobicContact CB-CB 3.75Å; Q106-A130 WeakPolarHBondContact O-CB 3.47Å; A109-A130 WeakPolarHBondContact O-CB 3.28Å; A109-A130 PolarHBondContact O-N 2.85Å; A130-F147 HydrophobicContact CB-CB 4.31Å; A130-F147 HydrophobicContact CB-CD2 3.83Å; A130-F147 HydrophobicContact CB-CE2 4.46Å; A130-F147 HydrophobicContact CB-CG 4.18Å; A130-F147 WeakPolarHBondContact O-CD2 2.93Å; A130-F147 WeakPolarHBondContact O-CE2 3.29Å; A130-F147 WeakPolarHBondContact O-CZ 3.3Å
131	D	44.1	Very low	44	Very low	75 Å²	75	62 Å²	62	40%	0.401	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.7	-179.7	46.6	15.8	0	0	0	114.6	N129 T133	N129-D131 WeakPolarHBondContact CB-OD1 3.46Å; N129-D131 VanDerWaalsContact CG-CG 3.42Å; N129-D131 VanDerWaalsContact ND2-CG 3.34Å; N129-D131 PolarHBondContact ND2-OD1 2.81Å; N129-D131 PolarHBondContact ND2-OD2 3.44Å; N129-D131 VanDerWaalsContact OD1-CG 3.3Å; N129-D131 PolarHBondContact OD1-OD1 3.1Å; N129-D131 PolarHBondContact OD1-OD2 3.06Å; D131-T133 PolarHBondContact O-N 3.29Å
132	Q	46.1	Very low	44.1	Very low	96 Å²	96	61.2 Å²	61.2	45%	0.449	30%	0.302	S	S	.	.			trans	-81.1	94.3	178.9	-71.7	-172.7	-10.4	0	0	110.9	G134 H135	Q132-G134 PolarHBondContact O-N 3.13Å; Q132-G134 VanDerWaalsContact O-N 3.09Å; Q132-H135 VanDerWaalsContact CB-CD2 3.46Å; Q132-H135 WeakPolarHBondContact CB-CD2 3.43Å; Q132-H135 VanDerWaalsContact CB-NE2 3.34Å; Q132-H135 WeakPolarHBondContact CB-NE2 3.34Å; Q132-H135 PolarHBondContact O-CD2 3.17Å; Q132-H135 PolarHBondContact OE1-NE2 3.41Å; Q132-H135 VanDerWaalsContact OE1-NE2 3.12Å
133	T	34.6	Very low	44	Very low	127 Å²	127	66 Å²	66	78%	0.779	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	108.4	166.2	45.3	0	0	0	0	109.3	D131	D131-T133 PolarHBondContact O-N 3.29Å
134	G	34.8	Very low	43.9	Very low	63 Å²	63	72.5 Å²	72.5	65%	0.649	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	151	-15.2	-172	0	0	0	0	0	113.9	Q132	Q132-G134 PolarHBondContact O-N 3.13Å; Q132-G134 VanDerWaalsContact O-N 3.09Å
135	H	44.4	Very low	43.5	Very low	35 Å²	35	73.6 Å²	73.6	16%	0.162	37%	0.372	C	S	.	.			trans	-100.2	30.5	-173.4	-57.7	-55.5	0	0	0	114.8	A25 Q132 R137 Y138 F139	A25-H135 WeakPolarHBondContact CB-CE1 3.25Å; Q132-H135 VanDerWaalsContact CB-CD2 3.46Å; Q132-H135 WeakPolarHBondContact CB-CD2 3.43Å; Q132-H135 VanDerWaalsContact CB-NE2 3.34Å; Q132-H135 WeakPolarHBondContact CB-NE2 3.34Å; Q132-H135 PolarHBondContact O-CD2 3.17Å; Q132-H135 PolarHBondContact OE1-NE2 3.41Å; Q132-H135 VanDerWaalsContact OE1-NE2 3.12Å; H135-R137 PolarHBondContact O-N 3.32Å; H135-Y138 PolarHBondContact O-N 3.1Å; H135-F139 HydrophobicContact CB-CD2 3.46Å; H135-F139 VanDerWaalsContact CB-CD2 3.46Å; H135-F139 HydrophobicContact CB-CE2 3.77Å; H135-F139 WeakPolarHBondContact O-CD2 3.38Å; H135-F139 PolarHBondContact O-N 3.41Å
136	D	38.1	Very low	43.2	Very low	129 Å²	129	77.4 Å²	77.4	69%	0.69	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-17.3	-177.7	-66.1	-14.1	0	0	0	113.7	Y138	D136-Y138 VanDerWaalsContact C-N 3.34Å
137	R	42	Very low	42.8	Very low	153 Å²	153	78.1 Å²	78.1	58%	0.577	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24	175.9	-63.2	-173.7	-166.5	174	4.3	114.1	H135	H135-R137 PolarHBondContact O-N 3.32Å
138	Y	40.4	Very low	42.9	Very low	23 Å²	23	79.7 Å²	79.7	9%	0.09	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-25.3	-176.6	-52.6	-62.6	0	0	0	112.5	L24 A27 T29 H135 D136 L149 G150 A153	L24-Y138 HydrophobicContact CD2-CD1 4.12Å; L24-Y138 HydrophobicContact CD2-CD2 3.7Å; L24-Y138 HydrophobicContact CD2-CE2 4.26Å; L24-Y138 HydrophobicContact CD2-CG 3.58Å; L24-Y138 HydrophobicContact CG-CD2 4.46Å; A27-Y138 PolarHBondContact O-OH 3.43Å; T29-Y138 HydrophobicContact CG2-CE1 3.98Å; T29-Y138 WeakPolarHBondContact CG2-OH 3.48Å; T29-Y138 PolarHBondContact OG1-OH 2.69Å; H135-Y138 PolarHBondContact O-N 3.1Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-L149 WeakPolarHBondContact O-CA 3.48Å; Y138-G150 PolarHBondContact O-N 3.1Å; Y138-A153 HydrophobicContact CD1-CB 3.44Å; Y138-A153 VanDerWaalsContact CD1-CB 3.44Å; Y138-A153 HydrophobicContact CE1-CB 4.17Å; Y138-A153 HydrophobicContact CG-CB 4.17Å
139	F	42.4	Very low	42.9	Very low	8 Å²	8	79.4 Å²	79.4	4%	0.035	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.9	179.9	-57.3	-88	0	0	0	110.3	L24 L105 I128 H135 R141 F147 E148 L149	L24-F139 HydrophobicContact CD2-CE2 4.41Å; L105-F139 HydrophobicContact CD1-CD1 4.28Å; L105-F139 HydrophobicContact CD1-CE1 3.65Å; I128-F139 HydrophobicContact CB-CZ 4.49Å; I128-F139 HydrophobicContact CG2-CE1 3.58Å; I128-F139 HydrophobicContact CG2-CZ 3.36Å; H135-F139 HydrophobicContact CB-CD2 3.46Å; H135-F139 VanDerWaalsContact CB-CD2 3.46Å; H135-F139 HydrophobicContact CB-CE2 3.77Å; H135-F139 WeakPolarHBondContact O-CD2 3.38Å; H135-F139 PolarHBondContact O-N 3.41Å; F139-R141 PolarHBondContact O-N 3.09Å; F139-F147 HydrophobicContact CB-CB 4.08Å; F139-F147 HydrophobicContact CB-CD1 3.86Å; F139-F147 HydrophobicContact CB-CG 4.45Å; F139-F147 HydrophobicContact CD1-CB 3.83Å; F139-F147 HydrophobicContact CG-CB 4.3Å; F139-F147 HydrophobicContact CG-CD1 4.47Å; F139-E148 CarbonylContact C-O 3.5Å; F139-E148 VanDerWaalsContact CA-O 3.25Å; F139-E148 WeakPolarHBondContact CA-O 3.49Å; F139-L149 HydrophobicContact CD1-CB 3.93Å; F139-L149 HydrophobicContact CD1-CD1 3.86Å; F139-L149 HydrophobicContact CD1-CG 4.47Å; F139-L149 HydrophobicContact CD2-CD1 4.48Å; F139-L149 HydrophobicContact CE1-CB 3.76Å; F139-L149 HydrophobicContact CE1-CD1 3.3Å; F139-L149 HydrophobicContact CE1-CD2 4.37Å; F139-L149 HydrophobicContact CE1-CG 3.97Å; F139-L149 HydrophobicContact CE2-CD1 4.01Å; F139-L149 HydrophobicContact CG-CD1 4.42Å; F139-L149 HydrophobicContact CZ-CD1 3.38Å; F139-L149 HydrophobicContact CZ-CG 4.43Å
140	R	43.2	Very low	43	Very low	171 Å²	171	78.6 Å²	78.6	65%	0.645	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	116.6	164.4	-172	-178.8	-176.3	-177	3	108.4	T142 E148	R140-T142 PolarHBondContact O-N 3.03Å; R140-E148 HydrophobicContact CB-CB 4.2Å; R140-E148 PolarHBondContact N-O 3.09Å; R140-E148 PolarHBondContact O-N 3.12Å
141	R	40.6	Very low	43.2	Very low	165 Å²	165	79.4 Å²	79.4	62%	0.623	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	117	171.6	-158.4	176.9	-172.2	-166.3	1.4	108.9	F139 F147	F139-R141 PolarHBondContact O-N 3.09Å; R141-F147 HydrophobicContact CB-CE1 4.46Å; R141-F147 HydrophobicContact CG-CD1 4.48Å; R141-F147 HydrophobicContact CG-CE1 4.1Å; R141-F147 HydrophobicContact CG-CZ 4.42Å
142	T	44.7	Very low	43.4	Very low	34 Å²	34	76.3 Å²	76.3	21%	0.209	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-80.1	159	173.6	64.9	0	0	0	0	110.2	R140 R144 G145 R146 E148	R140-T142 PolarHBondContact O-N 3.03Å; T142-R144 PolarHBondContact O-N 2.76Å; T142-G145 PolarHBondContact O-N 3.03Å; T142-R146 PolarHBondContact N-O 2.92Å; T142-R146 WeakPolarHBondContact OG1-CB 3.39Å; T142-R146 PolarHBondContact OG1-N 3.13Å; T142-R146 PolarHBondContact OG1-O 2.8Å; T142-E148 HydrophobicContact CG2-CG 3.64Å
143	T	42.8	Very low	43.7	Very low	156 Å²	156	71.9 Å²	71.9	96%	0.957	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.4	-178.5	43.8	0	0	0	0	114.9
144	R	48.4	Very low	44.7	Very low	208 Å²	208	65.9 Å²	65.9	79%	0.785	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	20.2	176.5	-65.6	-172.8	-179.8	176.9	0.9	114.1	T142 R146	T142-R144 PolarHBondContact O-N 2.76Å; R144-R146 PolarHBondContact O-N 3.03Å
145	G	36.8	Very low	45.5	Very low	25 Å²	25	63 Å²	63	26%	0.258	29%	0.288	S	S	.	.	S	Bend	trans	69.4	19.3	179.2	0	0	0	0	0	114	T142	T142-G145 PolarHBondContact O-N 3.03Å
146	R	39.5	Very low	45.9	Very low	101 Å²	101	63.6 Å²	63.6	38%	0.381	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	151.7	171.3	-52.8	177.8	174.2	179.8	-7.4	110	T104 L105 T142 R144	T104-R146 HydrophobicContact CG2-CB 3.55Å; T104-R146 HydrophobicContact CG2-CG 4.15Å; L105-R146 CarbonylContact O-C 3.55Å; L105-R146 WeakPolarHBondContact O-CA 3.37Å; T142-R146 PolarHBondContact N-O 2.92Å; T142-R146 WeakPolarHBondContact OG1-CB 3.39Å; T142-R146 PolarHBondContact OG1-N 3.13Å; T142-R146 PolarHBondContact OG1-O 2.8Å; R144-R146 PolarHBondContact O-N 3.03Å
147	F	41.3	Very low	46.6	Very low	16 Å²	16	57.8 Å²	57.8	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.5	-178.1	-65.2	-90.6	0	0	0	109.3	T104 L105 A107 A130 F139 R141	T104-F147 WeakPolarHBondContact CA-O 3.35Å; L105-F147 HydrophobicContact CB-CB 4.32Å; L105-F147 PolarHBondContact N-O 2.82Å; L105-F147 PolarHBondContact O-N 2.81Å; A107-F147 HydrophobicContact CB-CE2 3.79Å; A130-F147 HydrophobicContact CB-CB 4.31Å; A130-F147 HydrophobicContact CB-CD2 3.83Å; A130-F147 HydrophobicContact CB-CE2 4.46Å; A130-F147 HydrophobicContact CB-CG 4.18Å; A130-F147 WeakPolarHBondContact O-CD2 2.93Å; A130-F147 WeakPolarHBondContact O-CE2 3.29Å; A130-F147 WeakPolarHBondContact O-CZ 3.3Å; F139-F147 HydrophobicContact CB-CB 4.08Å; F139-F147 HydrophobicContact CB-CD1 3.86Å; F139-F147 HydrophobicContact CB-CG 4.45Å; F139-F147 HydrophobicContact CD1-CB 3.83Å; F139-F147 HydrophobicContact CG-CB 4.3Å; F139-F147 HydrophobicContact CG-CD1 4.47Å; R141-F147 HydrophobicContact CB-CE1 4.46Å; R141-F147 HydrophobicContact CG-CD1 4.48Å; R141-F147 HydrophobicContact CG-CE1 4.1Å; R141-F147 HydrophobicContact CG-CZ 4.42Å
148	E	48.6	Very low	47.1	Very low	44 Å²	44	50.5 Å²	50.5	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.8	171.1	-80.3	177.9	-177.6	0	0	108.8	K102 W103 F139 R140 T142	K102-E148 HydrophobicContact CD-CB 4.38Å; K102-E148 HydrophobicContact CD-CG 4.26Å; K102-E148 WeakPolarHBondContact CD-OE2 3.33Å; K102-E148 IonicContact NZ-OE2 3.9Å; K102-E148 PolarHBondContact NZ-OE2 2.86Å; W103-E148 CarbonylContact O-C 3.55Å; W103-E148 WeakPolarHBondContact O-CA 3.13Å; F139-E148 CarbonylContact C-O 3.5Å; F139-E148 VanDerWaalsContact CA-O 3.25Å; F139-E148 WeakPolarHBondContact CA-O 3.49Å; R140-E148 HydrophobicContact CB-CB 4.2Å; R140-E148 PolarHBondContact N-O 3.09Å; R140-E148 PolarHBondContact O-N 3.12Å; T142-E148 HydrophobicContact CG2-CG 3.64Å
149	L	51.8	Low	47.7	Very low	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.8	170.9	-176.7	73.9	0	0	0	109.7	L24 W103 L105 I128 Y138 F139 R151 V154	L24-L149 HydrophobicContact CD2-CD1 4.08Å; W103-L149 HydrophobicContact CB-CB 4.44Å; W103-L149 HydrophobicContact CE3-CD2 3.76Å; W103-L149 HydrophobicContact CZ3-CD2 4.2Å; W103-L149 PolarHBondContact N-O 2.85Å; W103-L149 VanDerWaalsContact N-O 3.1Å; W103-L149 PolarHBondContact O-N 2.7Å; L105-L149 HydrophobicContact CD1-CB 4.18Å; I128-L149 HydrophobicContact CD1-CD2 3.49Å; I128-L149 VanDerWaalsContact CD1-CD2 3.49Å; I128-L149 HydrophobicContact CG1-CD2 4.23Å; I128-L149 HydrophobicContact CG2-CD2 4.37Å; Y138-L149 WeakPolarHBondContact O-CA 3.48Å; F139-L149 HydrophobicContact CD1-CB 3.93Å; F139-L149 HydrophobicContact CD1-CD1 3.86Å; F139-L149 HydrophobicContact CD1-CG 4.47Å; F139-L149 HydrophobicContact CD2-CD1 4.48Å; F139-L149 HydrophobicContact CE1-CB 3.76Å; F139-L149 HydrophobicContact CE1-CD1 3.3Å; F139-L149 HydrophobicContact CE1-CD2 4.37Å; F139-L149 HydrophobicContact CE1-CG 3.97Å; F139-L149 HydrophobicContact CE2-CD1 4.01Å; F139-L149 HydrophobicContact CG-CD1 4.42Å; F139-L149 HydrophobicContact CZ-CD1 3.38Å; F139-L149 HydrophobicContact CZ-CG 4.43Å; L149-R151 PolarHBondContact O-N 2.78Å; L149-V154 HydrophobicContact CD1-CG2 4.43Å; L149-V154 HydrophobicContact CD2-CG2 3.34Å; L149-V154 HydrophobicContact CG-CG2 4.02Å
150	G	51.1	Low	48.1	Very low	19 Å²	19	60.1 Å²	60.1	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.3	170.2	0	0	0	0	0	110.2	Y138 L152 A153	Y138-G150 PolarHBondContact O-N 3.1Å; G150-L152 PolarHBondContact O-N 3.31Å; G150-A153 WeakPolarHBondContact O-CB 3.14Å; G150-A153 PolarHBondContact O-N 2.91Å
151	R	51	Low	48.3	Very low	20 Å²	20	53.5 Å²	53.5	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-53.5	-28.9	178.8	-163.5	176.1	-178	-168.8	-4	112.7	M44 D101 W103 L149 V154 I155	M44-R151 HydrophobicContact CE-CB 4.29Å; D101-R151 WeakPolarHBondContact O-CB 3.46Å; W103-R151 HydrophobicContact CZ2-CG 4.16Å; L149-R151 PolarHBondContact O-N 2.78Å; R151-V154 WeakPolarHBondContact O-CB 3.34Å; R151-V154 PolarHBondContact O-N 3.21Å; R151-I155 HydrophobicContact CG-CD1 4.35Å; R151-I155 WeakPolarHBondContact O-CG1 3.33Å; R151-I155 PolarHBondContact O-N 3.4Å; R151-I155 VanDerWaalsContact O-N 3.12Å
152	L	49.3	Very low	48.7	Very low	9 Å²	9	46.4 Å²	46.4	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-36.5	175.3	-106.5	144.1	0	0	0	115.7	M37 L40 E41 M44 G150 V154 I155 K156	M37-L152 HydrophobicContact CG-CD2 4.37Å; M37-L152 WeakPolarHBondContact O-CD1 3.4Å; L40-L152 HydrophobicContact CB-CD1 4.01Å; L40-L152 HydrophobicContact CB-CD2 3.69Å; L40-L152 HydrophobicContact CB-CG 4.36Å; L40-L152 HydrophobicContact CD2-CD2 3.62Å; L40-L152 HydrophobicContact CD2-CG 4.4Å; L40-L152 HydrophobicContact CG-CD2 4.26Å; E41-L152 VanDerWaalsContact CA-CD1 3.49Å; E41-L152 HydrophobicContact CB-CD1 3.69Å; E41-L152 HydrophobicContact CG-CD1 4.34Å; E41-L152 VanDerWaalsContact N-CD1 3.3Å; M44-L152 HydrophobicContact CE-CD1 4.14Å; M44-L152 HydrophobicContact CE-CG 4.28Å; G150-L152 PolarHBondContact O-N 3.31Å; L152-V154 VanDerWaalsContact C-N 3.26Å; L152-V154 PolarHBondContact O-N 3.08Å; L152-I155 PolarHBondContact O-N 2.85Å; L152-K156 PolarHBondContact O-N 3.37Å
153	A	51.1	Low	48.7	Very low	3 Å²	3	47.9 Å²	47.9	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-39.9	175.8	0	0	0	0	0	110.8	L24 M37 Y138 G150 C157	L24-A153 HydrophobicContact CD2-CB 4.4Å; M37-A153 HydrophobicContact CE-CB 4.2Å; Y138-A153 HydrophobicContact CD1-CB 3.44Å; Y138-A153 VanDerWaalsContact CD1-CB 3.44Å; Y138-A153 HydrophobicContact CE1-CB 4.17Å; Y138-A153 HydrophobicContact CG-CB 4.17Å; G150-A153 WeakPolarHBondContact O-CB 3.14Å; G150-A153 PolarHBondContact O-N 2.91Å; A153-C157 WeakPolarHBondContact O-CB 3.36Å; A153-C157 PolarHBondContact O-N 3.19Å
154	V	56.8	Low	48.7	Very low	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-45.9	176.4	-176.6	0	0	0	0	110.8	W103 V113 I128 L149 R151 L152 K156 C157 L158	W103-V154 HydrophobicContact CH2-CG1 4.4Å; W103-V154 HydrophobicContact CZ3-CG1 4.3Å; W103-V154 HydrophobicContact CZ3-CG2 3.96Å; V113-V154 HydrophobicContact CB-CG1 3.88Å; V113-V154 HydrophobicContact CG1-CG1 3.67Å; V113-V154 HydrophobicContact CG2-CG1 3.78Å; I128-V154 HydrophobicContact CD1-CG2 3.97Å; L149-V154 HydrophobicContact CD1-CG2 4.43Å; L149-V154 HydrophobicContact CD2-CG2 3.34Å; L149-V154 HydrophobicContact CG-CG2 4.02Å; R151-V154 WeakPolarHBondContact O-CB 3.34Å; R151-V154 PolarHBondContact O-N 3.21Å; L152-V154 VanDerWaalsContact C-N 3.26Å; L152-V154 PolarHBondContact O-N 3.08Å; V154-K156 PolarHBondContact O-N 3.27Å; V154-C157 PolarHBondContact O-N 2.89Å; V154-L158 HydrophobicContact CG1-CD1 4.06Å; V154-L158 WeakPolarHBondContact O-CB 3.41Å; V154-L158 VanDerWaalsContact O-CG 3.27Å; V154-L158 WeakPolarHBondContact O-CG 3.11Å; V154-L158 PolarHBondContact O-N 2.9Å
155	I	52.2	Low	48.3	Very low	4 Å²	4	36 Å²	36	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.6	-66.9	165.1	0	0	0	111.4	M44 R151 L152 L158 R159 F167 V170	M44-I155 HydrophobicContact CE-CD1 4.36Å; M44-I155 HydrophobicContact SD-CD1 4.08Å; R151-I155 HydrophobicContact CG-CD1 4.35Å; R151-I155 WeakPolarHBondContact O-CG1 3.33Å; R151-I155 PolarHBondContact O-N 3.4Å; R151-I155 VanDerWaalsContact O-N 3.12Å; L152-I155 PolarHBondContact O-N 2.85Å; I155-L158 PolarHBondContact O-N 3.45Å; I155-R159 PolarHBondContact O-N 2.83Å; I155-F167 HydrophobicContact CG2-CB 4Å; I155-V170 HydrophobicContact CD1-CB 3.82Å; I155-V170 HydrophobicContact CD1-CG1 4.05Å; I155-V170 HydrophobicContact CD1-CG2 4.29Å; I155-V170 HydrophobicContact CG1-CB 4.23Å; I155-V170 HydrophobicContact CG1-CG1 4.33Å; I155-V170 HydrophobicContact CG1-CG2 4.22Å
156	K	52.2	Low	48.6	Very low	47 Å²	47	36.9 Å²	36.9	20%	0.204	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-42.3	175.3	-80.4	-166.2	171.5	-163.7	0	111.8	E33 E36 M37 L152 V154 L158 R159 R160	E33-K156 PolarHBondContact O-NZ 3.02Å; E36-K156 IonicContact OE2-NZ 2.84Å; E36-K156 PolarHBondContact OE2-NZ 3.31Å; M37-K156 HydrophobicContact CG-CD 4.03Å; M37-K156 HydrophobicContact SD-CD 4.49Å; L152-K156 PolarHBondContact O-N 3.37Å; V154-K156 PolarHBondContact O-N 3.27Å; K156-L158 VanDerWaalsContact C-N 3.28Å; K156-L158 PolarHBondContact O-N 3.05Å; K156-R159 PolarHBondContact O-N 3.02Å; K156-R160 WeakPolarHBondContact O-CB 3.33Å; K156-R160 PolarHBondContact O-N 2.88Å
157	C	52.7	Low	48.6	Very low	6 Å²	6	32.6 Å²	32.6	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-41.8	174.8	-158.1	0	0	0	0	110.9	L24 V126 A153 V154 R160 V161	L24-C157 HydrophobicContact CD1-CB 3.68Å; V126-C157 HydrophobicContact CG2-CB 4.45Å; A153-C157 WeakPolarHBondContact O-CB 3.36Å; A153-C157 PolarHBondContact O-N 3.19Å; V154-C157 PolarHBondContact O-N 2.89Å; C157-R160 PolarHBondContact O-N 2.96Å; C157-V161 WeakPolarHBondContact O-CB 3.41Å; C157-V161 WeakPolarHBondContact O-CG2 2.98Å; C157-V161 PolarHBondContact O-N 3Å
158	L	52.7	Low	48.2	Very low	1 Å²	1	36 Å²	36	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-48.1	174.4	-74.5	169.4	0	0	0	112.3	F86 V113 T115 V124 V126 V154 I155 K156 R160 V161 S162	F86-L158 HydrophobicContact CE1-CD1 4.06Å; V113-L158 HydrophobicContact CG1-CD1 4.21Å; T115-L158 HydrophobicContact CG2-CD2 4.41Å; T115-L158 VanDerWaalsContact OG1-CD1 3.28Å; T115-L158 WeakPolarHBondContact OG1-CD1 3.26Å; V124-L158 HydrophobicContact CB-CD2 4.36Å; V124-L158 HydrophobicContact CG1-CD2 3.93Å; V126-L158 HydrophobicContact CG2-CD2 3.76Å; V126-L158 HydrophobicContact CG2-CG 4.13Å; V154-L158 HydrophobicContact CG1-CD1 4.06Å; V154-L158 WeakPolarHBondContact O-CB 3.41Å; V154-L158 VanDerWaalsContact O-CG 3.27Å; V154-L158 WeakPolarHBondContact O-CG 3.11Å; V154-L158 PolarHBondContact O-N 2.9Å; I155-L158 PolarHBondContact O-N 3.45Å; K156-L158 VanDerWaalsContact C-N 3.28Å; K156-L158 PolarHBondContact O-N 3.05Å; L158-R160 VanDerWaalsContact C-N 3.29Å; L158-R160 PolarHBondContact O-N 3.29Å; L158-V161 PolarHBondContact O-N 2.8Å; L158-S162 WeakPolarHBondContact O-CB 3.33Å; L158-S162 PolarHBondContact O-N 3.34Å; L158-S162 PolarHBondContact O-OG 3.47Å
159	R	52.8	Low	47.3	Very low	60 Å²	60	38.8 Å²	38.8	23%	0.226	21%	0.213	C	C	.	.	H	α-helix	trans	-52.8	-47.9	173.3	-90.2	-176	151.3	147	0.9	111.7	I155 K156 S162 G163 P165 F167 D168	I155-R159 PolarHBondContact O-N 2.83Å; K156-R159 PolarHBondContact O-N 3.02Å; R159-S162 PolarHBondContact O-OG 3.28Å; R159-G163 WeakPolarHBondContact O-CA 3.49Å; R159-G163 PolarHBondContact O-N 2.84Å; R159-P165 PolarHBondContact NE-O 3.05Å; R159-P165 PolarHBondContact NH2-O 3.21Å; R159-F167 HydrophobicContact CB-CD2 4.47Å; R159-F167 HydrophobicContact CG-CB 3.79Å; R159-F167 HydrophobicContact CG-CD2 3.67Å; R159-F167 HydrophobicContact CG-CG 4.16Å; R159-D168 IonicContact CZ-OD1 2.69Å; R159-D168 IonicContact CZ-OD2 3.18Å; R159-D168 IonicContact NH1-OD1 4Å; R159-D168 PolarHBondContact NH1-OD1 2.79Å; R159-D168 IonicContact NH2-OD1 2.85Å; R159-D168 PolarHBondContact NH2-OD1 3.05Å; R159-D168 IonicContact NH2-OD2 2.7Å; R159-D168 PolarHBondContact NH2-OD2 3.41Å
160	R	51.7	Low	46.3	Very low	173 Å²	173	39 Å²	39	65%	0.653	22%	0.215	S	C	*	.	H	α-helix	trans	-67.4	-44.6	-174.6	-157.3	85	178.8	179.7	1.4	111.8	E33 K156 C157 L158	E33-R160 IonicContact OE1-NH1 3.97Å; K156-R160 WeakPolarHBondContact O-CB 3.33Å; K156-R160 PolarHBondContact O-N 2.88Å; C157-R160 PolarHBondContact O-N 2.96Å; L158-R160 VanDerWaalsContact C-N 3.29Å; L158-R160 PolarHBondContact O-N 3.29Å
161	V	45.9	Very low	45.2	Very low	31 Å²	31	42 Å²	42	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-76.4	-34.3	-177.2	179.2	0	0	0	0	111.8	T22 V124 C157 L158	T22-V161 HydrophobicContact CG2-CG2 3.7Å; T22-V161 WeakPolarHBondContact OG1-CG1 3.35Å; T22-V161 WeakPolarHBondContact OG1-CG2 3.48Å; V124-V161 HydrophobicContact CG1-CB 3.85Å; V124-V161 HydrophobicContact CG1-CG1 3.43Å; V124-V161 VanDerWaalsContact CG1-CG1 3.43Å; V124-V161 HydrophobicContact CG2-CG1 4.27Å; C157-V161 WeakPolarHBondContact O-CB 3.41Å; C157-V161 WeakPolarHBondContact O-CG2 2.98Å; C157-V161 PolarHBondContact O-N 3Å; L158-V161 PolarHBondContact O-N 2.8Å
162	S	48.6	Very low	44.2	Very low	17 Å²	17	41.5 Å²	41.5	12%	0.119	23%	0.225	C	C	.	.	H	α-helix	trans	-78.2	-22.9	177.4	60.5	0	0	0	0	114.4	L158 R159 A164 F167	L158-S162 WeakPolarHBondContact O-CB 3.33Å; L158-S162 PolarHBondContact O-N 3.34Å; L158-S162 PolarHBondContact O-OG 3.47Å; R159-S162 PolarHBondContact O-OG 3.28Å; S162-A164 PolarHBondContact O-N 3.09Å; S162-A164 VanDerWaalsContact O-N 3.14Å; S162-A164 PolarHBondContact OG-N 3.32Å; S162-A164 VanDerWaalsContact OG-N 3.13Å; S162-F167 WeakPolarHBondContact OG-CE2 3.36Å
163	G	45	Very low	43	Very low	64 Å²	64	49 Å²	49	66%	0.66	25%	0.253	S	S	*	.			trans	63.3	8.4	-166.6	0	0	0	0	0	114	R159 P165	R159-G163 WeakPolarHBondContact O-CA 3.49Å; R159-G163 PolarHBondContact O-N 2.84Å; G163-P165 WeakPolarHBondContact O-CD 3.13Å
164	A	43	Very low	41.8	Very low	24 Å²	24	52.4 Å²	52.4	20%	0.198	27%	0.268	C	S	.	.			trans	-87.7	117.3	-177.7	0	0	0	0	0	110	S162 D166 F167	S162-A164 PolarHBondContact O-N 3.09Å; S162-A164 VanDerWaalsContact O-N 3.14Å; S162-A164 PolarHBondContact OG-N 3.32Å; S162-A164 VanDerWaalsContact OG-N 3.13Å; A164-D166 VanDerWaalsContact C-N 3.29Å; A164-D166 PolarHBondContact O-N 3.31Å; A164-F167 HydrophobicContact CB-CD2 4.36Å; A164-F167 HydrophobicContact CB-CE2 3.86Å
165	P	41.5	Very low	40.3	Very low	90 Å²	90	56.8 Å²	56.8	58%	0.584	29%	0.289	S	S	*	.	S	Bend	trans	-70.4	-20.8	-173.8	24.2	-31	0	0	0	113.6	R159 G163 F167	R159-P165 PolarHBondContact NE-O 3.05Å; R159-P165 PolarHBondContact NH2-O 3.21Å; G163-P165 WeakPolarHBondContact O-CD 3.13Å; P165-F167 PolarHBondContact O-N 3.32Å
166	D	42.9	Very low	38.9	Very low	45 Å²	45	62.8 Å²	62.8	24%	0.241	32%	0.32	C	S	.	.			trans	-105.1	43	-159.7	-57.7	-22.8	0	0	0	115.6	C70 A164 D168	C70-D166 HydrophobicContact CB-CB 3.76Å; A164-D166 VanDerWaalsContact C-N 3.29Å; A164-D166 PolarHBondContact O-N 3.31Å; D166-D168 VanDerWaalsContact C-N 3.27Å; D166-D168 PolarHBondContact O-N 3.26Å
167	F	39.1	Very low	37.5	Very low	10 Å²	10	68.2 Å²	68.2	4%	0.044	35%	0.352	C	S	.	.			trans	-84.9	21.1	173.9	-78.4	-80.5	0	0	0	114.8	A84 T115 I155 R159 S162 A164 P165 H169 V170	A84-F167 HydrophobicContact CB-CD1 4.43Å; A84-F167 HydrophobicContact CB-CE1 3.86Å; T115-F167 HydrophobicContact CG2-CE1 3.86Å; T115-F167 HydrophobicContact CG2-CZ 3.81Å; I155-F167 HydrophobicContact CG2-CB 4Å; R159-F167 HydrophobicContact CB-CD2 4.47Å; R159-F167 HydrophobicContact CG-CB 3.79Å; R159-F167 HydrophobicContact CG-CD2 3.67Å; R159-F167 HydrophobicContact CG-CG 4.16Å; S162-F167 WeakPolarHBondContact OG-CE2 3.36Å; A164-F167 HydrophobicContact CB-CD2 4.36Å; A164-F167 HydrophobicContact CB-CE2 3.86Å; P165-F167 PolarHBondContact O-N 3.32Å; F167-H169 PolarHBondContact O-N 2.61Å; F167-V170 HydrophobicContact CB-CG2 4.44Å; F167-V170 HydrophobicContact CD1-CG2 3.87Å
168	D	31.6	Very low	36.2	Very low	88 Å²	88	76 Å²	76	47%	0.471	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.2	-176.1	-73.7	-38.6	0	0	0	114.8	R159 D166	R159-D168 IonicContact CZ-OD1 2.69Å; R159-D168 IonicContact CZ-OD2 3.18Å; R159-D168 IonicContact NH1-OD1 4Å; R159-D168 PolarHBondContact NH1-OD1 2.79Å; R159-D168 IonicContact NH2-OD1 2.85Å; R159-D168 PolarHBondContact NH2-OD1 3.05Å; R159-D168 IonicContact NH2-OD2 2.7Å; R159-D168 PolarHBondContact NH2-OD2 3.41Å; D166-D168 VanDerWaalsContact C-N 3.27Å; D166-D168 PolarHBondContact O-N 3.26Å
169	H	30.2	Very low	35.4	Very low	102 Å²	102	79.8 Å²	79.8	47%	0.472	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	50.9	-175.6	-72.5	-31.8	0	0	0	113.7	I68 F167 I171	I68-H169 WeakPolarHBondContact CD1-O 3.11Å; I68-H169 WeakPolarHBondContact CG1-O 3.42Å; I68-H169 HydrophobicContact CG2-CB 3.52Å; I68-H169 WeakPolarHBondContact CG2-O 3.37Å; F167-H169 PolarHBondContact O-N 2.61Å; H169-I171 VanDerWaalsContact C-N 3.31Å; H169-I171 PolarHBondContact O-N 2.93Å
170	V	31.1	Very low	34.4	Very low	6 Å²	6	80.8 Å²	80.8	4%	0.036	45%	0.448	C	S	.	.			trans	-74.7	85.5	167.8	172.9	0	0	0	0	110.3	I68 F86 I155 F167	I68-V170 HydrophobicContact CD1-CB 4.38Å; I68-V170 HydrophobicContact CD1-CG2 3.91Å; F86-V170 HydrophobicContact CD2-CG1 4.29Å; F86-V170 HydrophobicContact CE1-CG1 3.89Å; F86-V170 HydrophobicContact CE2-CB 4.38Å; F86-V170 HydrophobicContact CE2-CG1 3.33Å; F86-V170 HydrophobicContact CE2-CG2 4.28Å; F86-V170 HydrophobicContact CZ-CB 4.1Å; F86-V170 HydrophobicContact CZ-CG1 3.11Å; F86-V170 HydrophobicContact CZ-CG2 3.81Å; I155-V170 HydrophobicContact CD1-CB 3.82Å; I155-V170 HydrophobicContact CD1-CG1 4.05Å; I155-V170 HydrophobicContact CD1-CG2 4.29Å; I155-V170 HydrophobicContact CG1-CB 4.23Å; I155-V170 HydrophobicContact CG1-CG1 4.33Å; I155-V170 HydrophobicContact CG1-CG2 4.22Å; F167-V170 HydrophobicContact CB-CG2 4.44Å; F167-V170 HydrophobicContact CD1-CG2 3.87Å
171	I	29.2	Very low	33.5	Very low	80 Å²	80	75.7 Å²	75.7	41%	0.41	44%	0.437	S	S	.	.			trans	-94.2	118.3	170.8	-58	178.7	0	0	0	107.8	A66 H169 R173	A66-I171 WeakPolarHBondContact CB-O 3.36Å; H169-I171 VanDerWaalsContact C-N 3.31Å; H169-I171 PolarHBondContact O-N 2.93Å; I171-R173 PolarHBondContact O-N 3.15Å
172	A	28.9	Very low	32.8	Very low	10 Å²	10	78.4 Å²	78.4	8%	0.083	45%	0.451	C	S	.	.			trans	-68.6	117.5	171.6	0	0	0	0	0	108.4
173	R	24.7	Very low	31.8	Very low	168 Å²	168	82.2 Å²	82.2	63%	0.634	47%	0.472	S	S	*	.			trans	-108.3	126	162.7	-97.7	-176.3	171.1	177.3	-2	108.9	R65 I171 H175	R65-R173 PolarHBondContact N-O 3.45Å; R65-R173 VanDerWaalsContact N-O 3.1Å; R65-R173 WeakPolarHBondContact O-CB 3.37Å; R65-R173 VanDerWaalsContact O-O 3.05Å; I171-R173 PolarHBondContact O-N 3.15Å; R173-H175 PolarHBondContact O-N 3.26Å
174	Q	25.6	Very low	30.9	Very low	73 Å²	73	83.4 Å²	83.4	34%	0.341	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-61	121.8	161.4	-84.7	-178.5	-22.1	0	0	108.1
175	H	25	Very low	30	Very low	94 Å²	94	87.6 Å²	87.6	44%	0.435	48%	0.478	S	S	.	.			trans	-92.7	102.9	152.1	-100	-89.3	0	0	0	106.5	R65 R173 N177	R65-H175 HydrophobicContact CB-CB 4.27Å; R173-H175 PolarHBondContact O-N 3.26Å; H175-N177 PolarHBondContact O-N 3.38Å
176	L	22.1	Very low	29.1	Very low	130 Å²	130	87.5 Å²	87.5	68%	0.681	47%	0.47	S	S	*	.			trans	-67	114.7	155.5	-80.5	156	0	0	0	105.5	A178	L176-A178 PolarHBondContact O-N 3.09Å
177	N	22.6	Very low	28	Very low	161 Å²	161	91 Å²	91	86%	0.861	49%	0.489	S	S	*	.			trans	-59.5	110.8	161.7	-78.8	-25.2	0	0	0	106.8	H175	H175-N177 PolarHBondContact O-N 3.38Å
178	A	25.9	Very low	27	Very low	170 Å²	170	98.4 Å²	98.4	100%	1.405	53%	0.53	S	S	*	.			trans	-116.5	0	158.3	0	0	0	0	0	106.8	L176	L176-A178 PolarHBondContact O-N 3.09Å

Retrieved 178 of 178 residues in 204.1 ms (Link to these results)

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