YA19A_YEAST Loading...

Putative uncharacterized protein YAL019W-A

AlphaFold DB , UniProt , Accession A0A023PXA5, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	34.1	Very low	97 Å²	97	75.6 Å²	75.6	48%	0.478	44%	0.444	S	S	.	.				0	115.4	0	-160.8	164.9	73.2	0	0	106.6	E5 L6	M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 3.47Å; M1-E5 VanDerWaalsContact CG-CB 3.47Å; M1-E5 HydrophobicContact CG-CG 4.42Å; M1-E5 VanDerWaalsContact CG-OE2 3.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.3Å; M1-E5 HydrophobicContact SD-CB 4.4Å; M1-L6 HydrophobicContact CE-CB 3.58Å; M1-L6 HydrophobicContact CE-CD1 3.24Å; M1-L6 HydrophobicContact CE-CG 3.3Å
2	L	30.6	Very low	34.2	Very low	100 Å²	100	76.8 Å²	76.8	52%	0.524	46%	0.46	S	S	.	.			trans	-66.5	150.4	175.1	-76.3	164.7	0	0	0	108.5	S4 E5 L6	L2-S4 WeakPolarHBondContact CB-OG 3.43Å; L2-S4 PolarHBondContact O-N 2.87Å; L2-S4 VanDerWaalsContact O-N 3.07Å; L2-E5 HydrophobicContact CB-CG 4.49Å; L2-E5 PolarHBondContact N-OE2 2.95Å; L2-E5 WeakPolarHBondContact O-CA 3.45Å; L2-E5 WeakPolarHBondContact O-CB 3.25Å; L2-E5 PolarHBondContact O-N 3.19Å; L2-L6 PolarHBondContact O-N 3.4Å
3	L	34.9	Very low	34	Very low	81 Å²	81	76.1 Å²	76.1	42%	0.424	45%	0.451	S	S	.	.	H	α-helix	trans	-52.6	-33.3	177.4	179.4	63.7	0	0	0	112	E5 L6 V7 P68	L3-E5 VanDerWaalsContact C-N 3.26Å; L3-E5 PolarHBondContact O-N 3.21Å; L3-L6 PolarHBondContact O-N 2.86Å; L3-V7 HydrophobicContact CD1-CG2 4.21Å; L3-V7 HydrophobicContact CG-CG2 4.26Å; L3-V7 WeakPolarHBondContact O-CB 3.26Å; L3-V7 VanDerWaalsContact O-CG2 3.25Å; L3-V7 WeakPolarHBondContact O-CG2 3.37Å; L3-V7 PolarHBondContact O-N 3.17Å; L3-P68 HydrophobicContact CD1-CG 3.53Å; L3-P68 HydrophobicContact CD2-CB 4.12Å; L3-P68 HydrophobicContact CD2-CG 3.66Å; L3-P68 HydrophobicContact CG-CG 4.23Å
4	S	34.6	Very low	33.7	Very low	78 Å²	78	78 Å²	78	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-57.4	-35.7	172.7	51.7	0	0	0	0	113.2	L2 A8	L2-S4 WeakPolarHBondContact CB-OG 3.43Å; L2-S4 PolarHBondContact O-N 2.87Å; L2-S4 VanDerWaalsContact O-N 3.07Å; S4-A8 WeakPolarHBondContact O-CB 3.47Å; S4-A8 PolarHBondContact O-N 3.42Å
5	E	33.9	Very low	33.1	Very low	96 Å²	96	83.7 Å²	83.7	45%	0.449	48%	0.478	S	S	.	.	H	α-helix	trans	-77.8	-35.9	178.2	-64.8	172.4	154.2	0	0	111.6	M1 L2 L3 A8 T9	M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 3.47Å; M1-E5 VanDerWaalsContact CG-CB 3.47Å; M1-E5 HydrophobicContact CG-CG 4.42Å; M1-E5 VanDerWaalsContact CG-OE2 3.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.3Å; M1-E5 HydrophobicContact SD-CB 4.4Å; L2-E5 HydrophobicContact CB-CG 4.49Å; L2-E5 PolarHBondContact N-OE2 2.95Å; L2-E5 WeakPolarHBondContact O-CA 3.45Å; L2-E5 WeakPolarHBondContact O-CB 3.25Å; L2-E5 PolarHBondContact O-N 3.19Å; L3-E5 VanDerWaalsContact C-N 3.26Å; L3-E5 PolarHBondContact O-N 3.21Å; E5-A8 PolarHBondContact O-N 2.93Å; E5-T9 VanDerWaalsContact O-CB 3.23Å; E5-T9 WeakPolarHBondContact O-CB 3.3Å; E5-T9 PolarHBondContact O-N 3.2Å; E5-T9 PolarHBondContact O-OG1 2.85Å
6	L	36.1	Very low	32.9	Very low	98 Å²	98	81.7 Å²	81.7	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-67.7	-41.1	175.3	-147.5	145.4	0	0	0	110.6	M1 L2 L3 A10	M1-L6 HydrophobicContact CE-CB 3.58Å; M1-L6 HydrophobicContact CE-CD1 3.24Å; M1-L6 HydrophobicContact CE-CG 3.3Å; L2-L6 PolarHBondContact O-N 3.4Å; L3-L6 PolarHBondContact O-N 2.86Å; L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.04Å
7	V	35.7	Very low	32.6	Very low	75 Å²	75	81.6 Å²	81.6	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-68.4	-43.5	173.5	173.9	0	0	0	0	111	L3 T9 A10 S11	L3-V7 HydrophobicContact CD1-CG2 4.21Å; L3-V7 HydrophobicContact CG-CG2 4.26Å; L3-V7 WeakPolarHBondContact O-CB 3.26Å; L3-V7 VanDerWaalsContact O-CG2 3.25Å; L3-V7 WeakPolarHBondContact O-CG2 3.37Å; L3-V7 PolarHBondContact O-N 3.17Å; V7-T9 VanDerWaalsContact C-N 3.32Å; V7-T9 PolarHBondContact O-N 3.03Å; V7-A10 PolarHBondContact O-N 2.97Å; V7-S11 VanDerWaalsContact O-CB 3.28Å; V7-S11 WeakPolarHBondContact O-CB 2.89Å; V7-S11 PolarHBondContact O-N 2.65Å; V7-S11 PolarHBondContact O-OG 2.83Å; V7-S11 VanDerWaalsContact O-OG 3.09Å
8	A	32.6	Very low	32.4	Very low	51 Å²	51	82.6 Å²	82.6	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-39.8	177	0	0	0	0	0	111.7	S4 E5 S11 S12	S4-A8 WeakPolarHBondContact O-CB 3.47Å; S4-A8 PolarHBondContact O-N 3.42Å; E5-A8 PolarHBondContact O-N 2.93Å; A8-S11 VanDerWaalsContact C-OG 3.29Å; A8-S11 VanDerWaalsContact CA-OG 3.25Å; A8-S11 WeakPolarHBondContact CA-OG 3.22Å; A8-S11 PolarHBondContact O-N 3.42Å; A8-S11 PolarHBondContact O-OG 2.87Å; A8-S12 WeakPolarHBondContact O-CB 3.4Å; A8-S12 PolarHBondContact O-N 3.4Å; A8-S12 PolarHBondContact O-OG 2.94Å
9	T	38.3	Very low	32.3	Very low	45 Å²	45	80.9 Å²	80.9	28%	0.276	48%	0.475	S	S	.	.	H	α-helix	trans	-71.7	-41.2	177.3	-53.9	0	0	0	0	111.3	E5 V7 S11 S12 L13	E5-T9 VanDerWaalsContact O-CB 3.23Å; E5-T9 WeakPolarHBondContact O-CB 3.3Å; E5-T9 PolarHBondContact O-N 3.2Å; E5-T9 PolarHBondContact O-OG1 2.85Å; V7-T9 VanDerWaalsContact C-N 3.32Å; V7-T9 PolarHBondContact O-N 3.03Å; T9-S11 VanDerWaalsContact C-N 3.25Å; T9-S11 PolarHBondContact O-N 2.74Å; T9-S12 WeakPolarHBondContact CA-OG 3.11Å; T9-S12 PolarHBondContact O-N 2.93Å; T9-S12 PolarHBondContact O-OG 3.39Å; T9-L13 WeakPolarHBondContact O-CG 3.27Å; T9-L13 PolarHBondContact O-N 3.14Å
10	A	35.8	Very low	32	Very low	20 Å²	20	82.8 Å²	82.8	17%	0.165	48%	0.481	C	S	.	.	H	α-helix	trans	-66.7	-27	173.2	0	0	0	0	0	112.7	L6 V7 T16 I18	L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.04Å; V7-A10 PolarHBondContact O-N 2.97Å; A10-T16 PolarHBondContact O-OG1 3.43Å; A10-I18 HydrophobicContact CB-CD1 4.2Å
11	S	33.1	Very low	31.9	Very low	91 Å²	91	84 Å²	84	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-82.6	-20.7	174.9	66.1	0	0	0	0	114.4	V7 A8 T9	V7-S11 VanDerWaalsContact O-CB 3.28Å; V7-S11 WeakPolarHBondContact O-CB 2.89Å; V7-S11 PolarHBondContact O-N 2.65Å; V7-S11 PolarHBondContact O-OG 2.83Å; V7-S11 VanDerWaalsContact O-OG 3.09Å; A8-S11 VanDerWaalsContact C-OG 3.29Å; A8-S11 VanDerWaalsContact CA-OG 3.25Å; A8-S11 WeakPolarHBondContact CA-OG 3.22Å; A8-S11 PolarHBondContact O-N 3.42Å; A8-S11 PolarHBondContact O-OG 2.87Å; T9-S11 VanDerWaalsContact C-N 3.25Å; T9-S11 PolarHBondContact O-N 2.74Å
12	S	34.6	Very low	31.8	Very low	90 Å²	90	85.3 Å²	85.3	63%	0.629	49%	0.491	S	S	*	.	H	α-helix	trans	-89.5	-15.2	178.1	65.8	0	0	0	0	113	A8 T9	A8-S12 WeakPolarHBondContact O-CB 3.4Å; A8-S12 PolarHBondContact O-N 3.4Å; A8-S12 PolarHBondContact O-OG 2.94Å; T9-S12 WeakPolarHBondContact CA-OG 3.11Å; T9-S12 PolarHBondContact O-N 2.93Å; T9-S12 PolarHBondContact O-OG 3.39Å
13	L	31.9	Very low	31.5	Very low	67 Å²	67	84.7 Å²	84.7	35%	0.351	49%	0.488	S	S	.	.	S	Bend	trans	-67.7	129	165.9	-68.9	172	0	0	0	108.5	T9 Y15 W186	T9-L13 WeakPolarHBondContact O-CG 3.27Å; T9-L13 PolarHBondContact O-N 3.14Å; L13-Y15 PolarHBondContact O-N 3.16Å; L13-W186 HydrophobicContact CD1-CE3 4.43Å; L13-W186 HydrophobicContact CD1-CZ3 4.04Å
14	P	29.9	Very low	31.1	Very low	103 Å²	103	87.2 Å²	87.2	67%	0.669	51%	0.512	S	S	*	.	S	Bend	trans	-64	-1.2	-174	21.5	-30	0	0	0	114.1
15	Y	25.1	Very low	30.7	Very low	163 Å²	163	94.8 Å²	94.8	64%	0.639	53%	0.528	S	S	*	.			trans	-155.2	97.1	-177.1	-47.7	-78	0	0	0	111.7	L13	L13-Y15 PolarHBondContact O-N 3.16Å
16	T	29.3	Very low	30.3	Very low	52 Å²	52	95.8 Å²	95.8	32%	0.319	54%	0.541	S	S	.	.			trans	-154.2	94.2	166	-0.8	0	0	0	0	111.9	A10 I18	A10-T16 PolarHBondContact O-OG1 3.43Å; T16-I18 PolarHBondContact O-N 3.05Å; T16-I18 VanDerWaalsContact O-N 3.11Å
17	A	27.5	Very low	29.8	Very low	80 Å²	80	96.1 Å²	96.1	66%	0.661	55%	0.549	S	S	*	.			trans	-71.6	99.3	165	0	0	0	0	0	108.7	S19	A17-S19 PolarHBondContact O-N 2.94Å
18	I	29.1	Very low	29.2	Very low	100 Å²	100	97.6 Å²	97.6	51%	0.513	57%	0.569	S	S	.	*			trans	-75.9	105.3	161.3	-59.6	174.7	0	0	0	105.5	A10 T16 I20	A10-I18 HydrophobicContact CB-CD1 4.2Å; T16-I18 PolarHBondContact O-N 3.05Å; T16-I18 VanDerWaalsContact O-N 3.11Å; I18-I20 HydrophobicContact CG2-CD1 4.34Å; I18-I20 HydrophobicContact CG2-CG1 3.92Å; I18-I20 PolarHBondContact O-N 2.69Å
19	S	30.6	Very low	28.7	Very low	51 Å²	51	99.2 Å²	99.2	36%	0.357	58%	0.582	S	S	.	*			trans	-75.9	106.3	176.5	-160.8	0	0	0	0	109.8	A17 H21	A17-S19 PolarHBondContact O-N 2.94Å; S19-H21 PolarHBondContact OG-CD2 2.89Å; S19-H21 VanDerWaalsContact OG-CD2 3.28Å; S19-H21 PolarHBondContact OG-CE1 2.82Å; S19-H21 PolarHBondContact OG-NE2 2.88Å
20	I	27	Very low	28	Very low	118 Å²	118	108 Å²	108	61%	0.605	61%	0.61	S	S	*	*			trans	-102.9	104.2	172.3	-56.4	175	0	0	0	106.3	I18	I18-I20 HydrophobicContact CG2-CD1 4.34Å; I18-I20 HydrophobicContact CG2-CG1 3.92Å; I18-I20 PolarHBondContact O-N 2.69Å
21	H	30.3	Very low	27.4	Very low	109 Å²	109	115.5 Å²	115.5	51%	0.505	64%	0.641	S	S	.	*			trans	-103.6	121.9	172.1	-66.7	-60.6	0	0	0	109.7	S19	S19-H21 PolarHBondContact OG-CD2 2.89Å; S19-H21 VanDerWaalsContact OG-CD2 3.28Å; S19-H21 PolarHBondContact OG-CE1 2.82Å; S19-H21 PolarHBondContact OG-NE2 2.88Å
22	N	26.1	Very low	27	Very low	123 Å²	123	118.2 Å²	118.2	66%	0.658	65%	0.647	S	S	*	*			trans	-133.3	125.2	168.1	-117.4	-6.8	0	0	0	109.3
23	N	26.3	Very low	26.5	Very low	87 Å²	87	122.4 Å²	122.4	47%	0.465	66%	0.656	S	S	.	*			trans	51	107	163.7	-70.8	-15.2	0	0	0	120.6	C50	N23-C50 PolarHBondContact OD1-SG 3.18Å
24	C	24.8	Very low	26.2	Very low	135 Å²	135	127.3 Å²	127.3	91%	0.912	68%	0.677	S	S	*	*				-150.3	129.4	127.1	-110.2	0	0	0	0	112.9
25	R	27.3	Very low	25.9	Very low	237 Å²	237	126.1 Å²	126.1	89%	0.894	68%	0.684	S	S	*	*			trans	-67.5	126.8	174.7	-131.1	177	-177	178.5	0.1	108.5
26	V	25.8	Very low	25.8	Very low	117 Å²	117	124 Å²	124	71%	0.709	69%	0.691	S	S	*	*			trans	-110.4	100.3	157.3	-171.8	0	0	0	0	107.4	A29	V26-A29 HydrophobicContact CG1-CB 4.32Å
27	P	24.9	Very low	25.6	Very low	105 Å²	105	132.2 Å²	132.2	68%	0.682	72%	0.716	S	S	*	*			trans	-69.8	132.8	164.6	30.3	-28.5	0	0	0	108.2
28	A	22.5	Very low	25.4	Very low	106 Å²	106	136.5 Å²	136.5	88%	0.876	72%	0.717	S	S	*	*			trans	51.7	83.4	164.4	0	0	0	0	0	116.8
29	A	23.6	Very low	25.2	Very low	84 Å²	84	141.3 Å²	141.3	69%	0.694	73%	0.734	S	S	*	*			trans	-138.4	114.2	158.8	0	0	0	0	0	110.6	V26	V26-A29 HydrophobicContact CG1-CB 4.32Å
30	R	22.6	Very low	24.9	Very low	229 Å²	229	147.8 Å²	147.8	86%	0.864	76%	0.758	S	S	*	*			trans	-48.7	136.5	165.4	-74.4	170.5	167.7	172.7	-4.7	109.7
31	H	23.7	Very low	24.9	Very low	178 Å²	178	144.9 Å²	144.9	82%	0.824	76%	0.758	S	S	*	*			trans	22.4	99.3	155.5	-57.1	-85	0	0	0	116.3
32	I	24.1	Very low	24.9	Very low	149 Å²	149	145.9 Å²	145.9	76%	0.764	77%	0.774	S	S	*	*			trans	-158.8	123.6	145.2	-88.6	129	0	0	0	108.9
33	H	25	Very low	25	Very low	177 Å²	177	145.9 Å²	145.9	82%	0.819	78%	0.78	S	S	*	*			trans	-52.2	125.2	166.3	-63.6	-106	0	0	0	110.9
34	H	24.7	Very low	24.8	Very low	171 Å²	171	148 Å²	148	79%	0.792	80%	0.796	S	S	*	*			trans	-174.9	91.2	150.7	-79	-42.7	0	0	0	109.5
35	G	23.7	Very low	24.8	Very low	78 Å²	78	150.3 Å²	150.3	80%	0.804	80%	0.796	S	S	*	*			trans	-100.7	123.2	176.5	0	0	0	0	0	112
36	C	23.9	Very low	24.6	Very low	117 Å²	117	147.4 Å²	147.4	79%	0.791	79%	0.792	S	S	*	*			trans	73.2	86.4	171.3	-61.7	0	0	0	0	117.5
37	R	23.4	Very low	24.5	Very low	226 Å²	226	149.5 Å²	149.5	85%	0.853	80%	0.799	S	S	*	*			trans	-91.4	125.7	153.7	-73.2	-171.5	-179.6	-173.1	1.1	109.2
38	Y	24.9	Very low	24.5	Very low	170 Å²	170	149.2 Å²	149.2	67%	0.667	80%	0.796	S	S	*	*			trans	-58.3	129.5	171.7	-69	-96.1	0	0	0	110
39	F	24.4	Very low	24.6	Very low	201 Å²	201	152.4 Å²	152.4	88%	0.882	79%	0.793	S	S	*	*			trans	-120.3	113	167.6	-127.9	-92.3	0	0	0	109.2
40	H	24.4	Very low	24.6	Very low	186 Å²	186	152.3 Å²	152.3	86%	0.861	79%	0.787	S	S	*	*			trans	-77.2	119	167.9	-85.8	-86	0	0	0	108.3
41	G	27.1	Very low	24.6	Very low	58 Å²	58	149.7 Å²	149.7	60%	0.598	79%	0.789	S	S	*	*			trans	149.5	141.8	166.7	0	0	0	0	0	113.4
42	P	30.4	Very low	24.5	Very low	130 Å²	130	152.5 Å²	152.5	84%	0.844	79%	0.792	S	S	*	*			trans	-79.8	147.1	-178.7	34.8	-31.7	0	0	0	109.4
43	P	27.6	Very low	24.5	Very low	122 Å²	122	151.3 Å²	151.3	79%	0.792	79%	0.792	S	S	*	*				-146.4	135.3	129.5	26.1	-5.4	0	0	0	115.4
44	V	22.2	Very low	24.4	Very low	131 Å²	131	147.4 Å²	147.4	79%	0.794	78%	0.776	S	S	*	*			trans	-49.1	139.1	150.9	-176.4	0	0	0	0	110.4
45	M	23.8	Very low	24.4	Very low	184 Å²	184	148.8 Å²	148.8	91%	0.906	78%	0.783	S	S	*	*				150.1	140.2	128.8	-127.8	178.6	-105.1	0	0	112.9
46	H	24.5	Very low	24.6	Very low	176 Å²	176	151.5 Å²	151.5	82%	0.815	77%	0.773	S	S	*	*			trans	-78.4	136.4	-172.9	-163.3	17.8	0	0	0	110.9
47	L	23.4	Very low	24.7	Very low	162 Å²	162	149.1 Å²	149.1	85%	0.848	76%	0.757	S	S	*	*			trans	-168.3	148.6	148.6	-97.6	140.6	0	0	0	112.3
48	P	25.4	Very low	25	Very low	98 Å²	98	142.4 Å²	142.4	64%	0.636	74%	0.743	S	S	*	*			trans	-90.5	173.4	-165.7	38.6	-32.2	0	0	0	111.7
49	Q	22.9	Very low	25.2	Very low	173 Å²	173	137 Å²	137	81%	0.808	73%	0.731	S	S	*	*			trans	103.4	81.9	172.8	-54.4	173.5	14.8	0	0	115.2
50	C	23.6	Very low	25.4	Very low	82 Å²	82	131.8 Å²	131.8	55%	0.554	72%	0.715	S	S	*	*			trans	-155.9	76.5	146.2	-94	0	0	0	0	108.2	N23	N23-C50 PolarHBondContact OD1-SG 3.18Å
51	L	23.1	Very low	25.6	Very low	174 Å²	174	126.4 Å²	126.4	91%	0.911	69%	0.691	S	S	*	*			trans	-103.8	107.1	171.2	-80.3	167.6	0	0	0	108.9
52	R	22.8	Very low	25.7	Very low	237 Å²	237	126.2 Å²	126.2	89%	0.894	68%	0.681	S	S	*	*			trans	-167.7	118.1	145.9	-105.6	176.2	-169.9	-162.8	2.5	109.3
53	T	22.4	Very low	25.7	Very low	125 Å²	125	125.2 Å²	125.2	77%	0.767	67%	0.673	S	S	*	*	S	Bend	trans	57.2	110.5	157.1	41.3	0	0	0	0	117
54	I	23.9	Very low	25.8	Very low	95 Å²	95	123.3 Å²	123.3	49%	0.487	66%	0.662	S	S	.	*				-131.2	129.8	53.9	-61.9	178.9	0	0	0	110.7	F56 D85	I54-F56 HydrophobicContact CG2-CD2 4.1Å; I54-F56 HydrophobicContact CG2-CE2 4.26Å; I54-F56 PolarHBondContact O-N 3.42Å; I54-D85 HydrophobicContact CD1-CB 3.94Å; I54-D85 VanDerWaalsContact CD1-OD2 3.3Å; I54-D85 WeakPolarHBondContact CD1-OD2 3.46Å
55	Q	23.7	Very low	26.1	Very low	200 Å²	200	123.9 Å²	123.9	94%	0.935	65%	0.651	S	S	*	*			trans	-75.6	80.3	176.8	-76.8	179.9	-35.3	0	0	111.6
56	F	28.2	Very low	26.4	Very low	135 Å²	135	122.1 Å²	122.1	59%	0.592	64%	0.641	S	S	*	*			trans	-91.1	119.3	139.3	-75.5	-79.4	0	0	0	105.4	I54 P58 P105	I54-F56 HydrophobicContact CG2-CD2 4.1Å; I54-F56 HydrophobicContact CG2-CE2 4.26Å; I54-F56 PolarHBondContact O-N 3.42Å; F56-P58 WeakPolarHBondContact O-CD 3.14Å; F56-P58 WeakPolarHBondContact O-CG 3.39Å; F56-P105 HydrophobicContact CZ-CG 4.26Å
57	S	27.5	Very low	26.6	Very low	66 Å²	66	117.4 Å²	117.4	46%	0.462	62%	0.621	S	S	.	*			trans	-57.2	102.3	178.5	-165.8	0	0	0	0	108.9	S59 V60	S57-S59 PolarHBondContact O-N 3.4Å; S57-S59 VanDerWaalsContact O-N 3.07Å; S57-S59 PolarHBondContact OG-OG 3.07Å; S57-V60 PolarHBondContact O-N 2.07Å
58	P	30	Very low	27.1	Very low	85 Å²	85	113.1 Å²	113.1	55%	0.552	60%	0.603	S	S	*	*	H	α-helix	trans	-64.3	-21.2	-175.3	-17.5	33.3	0	0	0	110.5	F56 V60 S62	F56-P58 WeakPolarHBondContact O-CD 3.14Å; F56-P58 WeakPolarHBondContact O-CG 3.39Å; P58-V60 VanDerWaalsContact C-N 3.35Å; P58-V60 PolarHBondContact O-N 2.87Å; P58-S62 WeakPolarHBondContact O-CB 3.32Å; P58-S62 PolarHBondContact O-N 2.51Å; P58-S62 PolarHBondContact O-OG 3.12Å
59	S	28.8	Very low	27.3	Very low	58 Å²	58	111 Å²	111	41%	0.406	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-31.7	170.1	59.1	0	0	0	0	113.3	S57 T63	S57-S59 PolarHBondContact O-N 3.4Å; S57-S59 VanDerWaalsContact O-N 3.07Å; S57-S59 PolarHBondContact OG-OG 3.07Å; S59-T63 WeakPolarHBondContact O-CA 3.41Å; S59-T63 WeakPolarHBondContact O-CB 2.94Å; S59-T63 PolarHBondContact O-N 3Å; S59-T63 PolarHBondContact O-OG1 2.85Å
60	V	27.2	Very low	27.7	Very low	90 Å²	90	106.3 Å²	106.3	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-70.7	-39.9	-178.7	177.2	0	0	0	0	110.5	S57 P58 S64	S57-V60 PolarHBondContact O-N 2.07Å; P58-V60 VanDerWaalsContact C-N 3.35Å; P58-V60 PolarHBondContact O-N 2.87Å; V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 3.34Å; V60-S64 VanDerWaalsContact O-N 3.12Å; V60-S64 PolarHBondContact O-OG 3.5Å
61	I	29.9	Very low	28	Very low	73 Å²	73	105.2 Å²	105.2	37%	0.374	56%	0.56	S	S	.	*	H	α-helix	trans	-79.7	-38.4	179.5	-58.5	174	0	0	0	111.1	Y65 V69	I61-Y65 HydrophobicContact CG2-CD2 4.5Å; I61-Y65 WeakPolarHBondContact O-CB 3.41Å; I61-Y65 PolarHBondContact O-N 2.93Å; I61-Y65 VanDerWaalsContact O-N 3.14Å; I61-V69 HydrophobicContact CB-CG2 3.94Å; I61-V69 HydrophobicContact CG2-CG2 3.48Å; I61-V69 VanDerWaalsContact CG2-CG2 3.48Å
62	S	29	Very low	28.5	Very low	54 Å²	54	102 Å²	102	38%	0.378	54%	0.54	S	S	.	.	H	α-helix	trans	-72.7	-34.3	178	86.2	0	0	0	0	112.8	P58 Q66	P58-S62 WeakPolarHBondContact O-CB 3.32Å; P58-S62 PolarHBondContact O-N 2.51Å; P58-S62 PolarHBondContact O-OG 3.12Å; S62-Q66 WeakPolarHBondContact O-CA 3.37Å; S62-Q66 PolarHBondContact O-N 2.96Å; S62-Q66 VanDerWaalsContact O-N 3.14Å
63	T	29.7	Very low	29.1	Very low	110 Å²	110	92.7 Å²	92.7	68%	0.675	51%	0.507	S	S	*	.	H	α-helix	trans	-83	-32.2	-177.5	-43.2	0	0	0	0	111.4	S59	S59-T63 WeakPolarHBondContact O-CA 3.41Å; S59-T63 WeakPolarHBondContact O-CB 2.94Å; S59-T63 PolarHBondContact O-N 3Å; S59-T63 PolarHBondContact O-OG1 2.85Å
64	S	29.5	Very low	29.6	Very low	81 Å²	81	94.2 Å²	94.2	57%	0.566	51%	0.505	S	S	*	.	H	α-helix	trans	-83.7	-27.6	177.8	-61	0	0	0	0	114.2	V60	V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 3.34Å; V60-S64 VanDerWaalsContact O-N 3.12Å; V60-S64 PolarHBondContact O-OG 3.5Å
65	Y	29.3	Very low	29.9	Very low	144 Å²	144	91.7 Å²	91.7	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-122.5	-4.2	-172.1	-63.3	-81.9	0	0	0	115.3	I61 I67	I61-Y65 HydrophobicContact CG2-CD2 4.5Å; I61-Y65 WeakPolarHBondContact O-CB 3.41Å; I61-Y65 PolarHBondContact O-N 2.93Å; I61-Y65 VanDerWaalsContact O-N 3.14Å; Y65-I67 HydrophobicContact CG-CD1 4.47Å; Y65-I67 WeakPolarHBondContact O-CG1 3.33Å; Y65-I67 PolarHBondContact O-N 2.91Å; Y65-I67 VanDerWaalsContact O-N 3.11Å
66	Q	30.2	Very low	30.2	Very low	146 Å²	146	88.2 Å²	88.2	68%	0.682	49%	0.49	S	S	*	.			trans	53	27.2	-173.2	-57.6	-177.8	4.8	0	0	113.3	S62	S62-Q66 WeakPolarHBondContact O-CA 3.37Å; S62-Q66 PolarHBondContact O-N 2.96Å; S62-Q66 VanDerWaalsContact O-N 3.14Å
67	I	28.2	Very low	30.3	Very low	77 Å²	77	83.5 Å²	83.5	40%	0.395	47%	0.472	S	S	.	.			trans	-96.8	124.9	178.8	-61.4	171.5	0	0	0	108	Y65 V69	Y65-I67 HydrophobicContact CG-CD1 4.47Å; Y65-I67 WeakPolarHBondContact O-CG1 3.33Å; Y65-I67 PolarHBondContact O-N 2.91Å; Y65-I67 VanDerWaalsContact O-N 3.11Å; I67-V69 PolarHBondContact O-N 2.9Å
68	P	33.2	Very low	30.4	Very low	73 Å²	73	84.6 Å²	84.6	47%	0.474	48%	0.478	S	S	.	.			trans	-67.6	115.5	169.3	29	-32.9	0	0	0	108.6	L3	L3-P68 HydrophobicContact CD1-CG 3.53Å; L3-P68 HydrophobicContact CD2-CB 4.12Å; L3-P68 HydrophobicContact CD2-CG 3.66Å; L3-P68 HydrophobicContact CG-CG 4.23Å
69	V	30.1	Very low	30.4	Very low	52 Å²	52	84 Å²	84	32%	0.315	47%	0.473	S	S	.	.			trans	-94.5	110.7	176.6	-177.1	0	0	0	0	108	I61 I67 C71 C87	I61-V69 HydrophobicContact CB-CG2 3.94Å; I61-V69 HydrophobicContact CG2-CG2 3.48Å; I61-V69 VanDerWaalsContact CG2-CG2 3.48Å; I67-V69 PolarHBondContact O-N 2.9Å; V69-C71 WeakPolarHBondContact CG1-SG 3.2Å; V69-C87 HydrophobicContact CG1-CB 4.35Å
70	I	32.4	Very low	30.3	Very low	75 Å²	75	82.8 Å²	82.8	39%	0.385	47%	0.466	S	S	.	.			trans	-94.5	102.9	170.6	-55.9	175.8	0	0	0	107.3
71	C	28	Very low	30.3	Very low	59 Å²	59	90 Å²	90	40%	0.399	48%	0.484	S	S	.	.			trans	-102.2	115.3	170.7	-67.3	0	0	0	0	107.7	V69 C87	V69-C71 WeakPolarHBondContact CG1-SG 3.2Å; C71-C87 HydrophobicContact CB-CB 4.23Å; C71-C87 WeakPolarHBondContact CB-SG 3.15Å; C71-C87 WeakPolarHBondContact SG-CB 3.42Å; C71-C87 CovalentContact SG-SG 2.07Å; C71-C87 PolarHBondContact SG-SG 3.21Å
72	Q	35.5	Very low	30.4	Very low	107 Å²	107	97 Å²	97	50%	0.5	51%	0.507	S	S	.	.			trans	160.9	65.3	159.6	-91.1	165.1	30	0	0	110.6
73	H	35.2	Very low	30.7	Very low	42 Å²	42	95.5 Å²	95.5	19%	0.194	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-121.9	114.6	164.1	-78.7	15.4	0	0	0	109.5	A75 Y86 S88	H73-A75 PolarHBondContact O-N 2.78Å; H73-Y86 HydrophobicContact CB-CE2 4.01Å; H73-Y86 VanDerWaalsContact O-CE1 3.22Å; H73-Y86 WeakPolarHBondContact O-CE1 3.25Å; H73-Y86 VanDerWaalsContact O-CZ 3.23Å; H73-Y86 PolarHBondContact O-OH 2.81Å; H73-S88 PolarHBondContact CD2-OG 2.72Å
74	H	32.7	Very low	31	Very low	157 Å²	157	92.6 Å²	92.6	73%	0.727	48%	0.478	S	S	*	.			trans	-84	89.4	157.6	-62.4	-64.3	0	0	0	107.7	V76 D85	H74-V76 PolarHBondContact O-N 2.83Å; H74-D85 IonicContact CE1-OD1 3.04Å; H74-D85 PolarHBondContact CE1-OD1 2.86Å; H74-D85 IonicContact ND1-OD1 3.39Å; H74-D85 PolarHBondContact ND1-OD1 3.47Å
75	A	30	Very low	31.6	Very low	41 Å²	41	92.3 Å²	92.3	34%	0.339	47%	0.47	S	S	.	.			trans	-73	110.1	159.2	0	0	0	0	0	107.2	H73 V77 Y86	H73-A75 PolarHBondContact O-N 2.78Å; A75-V77 HydrophobicContact CB-CG2 4.21Å; A75-V77 PolarHBondContact O-N 3.42Å; A75-Y86 VanDerWaalsContact CA-OH 3.25Å; A75-Y86 WeakPolarHBondContact CA-OH 3.4Å; A75-Y86 HydrophobicContact CB-CE1 3.84Å; A75-Y86 WeakPolarHBondContact CB-OH 3.47Å; A75-Y86 PolarHBondContact N-OH 3.3Å
76	V	30.5	Very low	32.1	Very low	127 Å²	127	86.1 Å²	86.1	77%	0.77	45%	0.446	S	S	*	.			trans	-67.1	89.2	155.4	-176.6	0	0	0	0	106.5	H74 P78	H74-V76 PolarHBondContact O-N 2.83Å; V76-P78 VanDerWaalsContact O-CD 3.25Å; V76-P78 WeakPolarHBondContact O-CD 3.25Å
77	V	28.6	Very low	32.5	Very low	36 Å²	36	80.9 Å²	80.9	22%	0.218	43%	0.425	C	S	.	.			trans	-69.3	114.1	162.3	177.2	0	0	0	0	105	A75 T79 A80 L83 W140	A75-V77 HydrophobicContact CB-CG2 4.21Å; A75-V77 PolarHBondContact O-N 3.42Å; V77-T79 PolarHBondContact O-N 3.19Å; V77-A80 HydrophobicContact CB-CB 4.08Å; V77-A80 HydrophobicContact CG1-CB 4.15Å; V77-A80 PolarHBondContact O-N 3.14Å; V77-L83 HydrophobicContact CB-CD1 4.06Å; V77-L83 HydrophobicContact CG2-CD1 3.5Å; V77-L83 VanDerWaalsContact CG2-CD1 3.5Å; V77-W140 HydrophobicContact CG2-CH2 4.11Å
78	P	29.4	Very low	33.2	Very low	89 Å²	89	77.9 Å²	77.9	58%	0.578	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	0.9	-167.7	-23	32.5	0	0	0	115.3	V76	V76-P78 VanDerWaalsContact O-CD 3.25Å; V76-P78 WeakPolarHBondContact O-CD 3.25Å
79	T	31.8	Very low	34	Very low	73 Å²	73	78.6 Å²	78.6	45%	0.448	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-3.1	-175.3	53.3	0	0	0	0	114.1	V77 K116 I118	V77-T79 PolarHBondContact O-N 3.19Å; T79-K116 HydrophobicContact CG2-CD 4.13Å; T79-I118 HydrophobicContact CG2-CG1 4.47Å
80	A	26.5	Very low	35	Very low	32 Å²	32	80.5 Å²	80.5	26%	0.264	42%	0.417	S	S	.	.	S	Bend	trans	-103.7	106.8	168.2	0	0	0	0	0	107.5	V77 Y82 L83	V77-A80 HydrophobicContact CB-CB 4.08Å; V77-A80 HydrophobicContact CG1-CB 4.15Å; V77-A80 PolarHBondContact O-N 3.14Å; A80-Y82 VanDerWaalsContact C-N 3.31Å; A80-Y82 PolarHBondContact O-N 3.14Å; A80-L83 HydrophobicContact CB-CD1 4.18Å; A80-L83 HydrophobicContact CB-CG 4.37Å
81	R	26.2	Very low	35.8	Very low	243 Å²	243	78.2 Å²	78.2	92%	0.917	41%	0.408	S	S	*	.	S	Bend	trans	-59	102.4	164.5	-79.8	-178.7	-175.9	179.8	0.6	106.3
82	Y	31.9	Very low	36.9	Very low	218 Å²	218	78.5 Å²	78.5	86%	0.855	40%	0.401	S	S	*	.			trans	60	93.2	174.5	-60.8	-89.9	0	0	0	114.6	A80 P84	A80-Y82 VanDerWaalsContact C-N 3.31Å; A80-Y82 PolarHBondContact O-N 3.14Å; Y82-P84 WeakPolarHBondContact O-CD 2.78Å
83	L	36.2	Very low	37.7	Very low	23 Å²	23	76.5 Å²	76.5	12%	0.12	39%	0.391	C	S	.	.			trans	-73.7	121	148.6	-84.6	144.4	0	0	0	106.8	V77 A80 Y86 W140	V77-L83 HydrophobicContact CB-CD1 4.06Å; V77-L83 HydrophobicContact CG2-CD1 3.5Å; V77-L83 VanDerWaalsContact CG2-CD1 3.5Å; A80-L83 HydrophobicContact CB-CD1 4.18Å; A80-L83 HydrophobicContact CB-CG 4.37Å; L83-Y86 HydrophobicContact CB-CD1 4.17Å; L83-W140 HydrophobicContact CD1-CH2 3.63Å; L83-W140 HydrophobicContact CD1-CZ3 3.45Å; L83-W140 VanDerWaalsContact CD1-CZ3 3.45Å; L83-W140 HydrophobicContact CD2-CE3 4.38Å; L83-W140 HydrophobicContact CD2-CH2 4.44Å; L83-W140 HydrophobicContact CD2-CZ3 3.77Å; L83-W140 HydrophobicContact CG-CZ3 4.26Å
84	P	36.6	Very low	38.1	Very low	49 Å²	49	79 Å²	79	32%	0.318	40%	0.399	S	S	.	.			trans	-56.5	157.3	169.1	24.4	-32.9	0	0	0	110.2	Y82 Y86 Q108	Y82-P84 WeakPolarHBondContact O-CD 2.78Å; P84-Y86 PolarHBondContact O-N 2.97Å; P84-Q108 HydrophobicContact CG-CB 3.9Å; P84-Q108 HydrophobicContact CG-CG 3.69Å
85	D	41.6	Very low	38.9	Very low	76 Å²	76	76.4 Å²	76.4	41%	0.406	40%	0.396	S	S	.	.			trans	-45.1	116.3	-176.2	-59.2	-41.7	0	0	0	111	I54 H74	I54-D85 HydrophobicContact CD1-CB 3.94Å; I54-D85 VanDerWaalsContact CD1-OD2 3.3Å; I54-D85 WeakPolarHBondContact CD1-OD2 3.46Å; H74-D85 IonicContact CE1-OD1 3.04Å; H74-D85 PolarHBondContact CE1-OD1 2.86Å; H74-D85 IonicContact ND1-OD1 3.39Å; H74-D85 PolarHBondContact ND1-OD1 3.47Å
86	Y	40.2	Very low	39.9	Very low	13 Å²	13	79.6 Å²	79.6	5%	0.051	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-115.9	149.5	-179.9	67	-94.9	0	0	0	108.8	H73 A75 L83 P84 L102	H73-Y86 HydrophobicContact CB-CE2 4.01Å; H73-Y86 VanDerWaalsContact O-CE1 3.22Å; H73-Y86 WeakPolarHBondContact O-CE1 3.25Å; H73-Y86 VanDerWaalsContact O-CZ 3.23Å; H73-Y86 PolarHBondContact O-OH 2.81Å; A75-Y86 VanDerWaalsContact CA-OH 3.25Å; A75-Y86 WeakPolarHBondContact CA-OH 3.4Å; A75-Y86 HydrophobicContact CB-CE1 3.84Å; A75-Y86 WeakPolarHBondContact CB-OH 3.47Å; A75-Y86 PolarHBondContact N-OH 3.3Å; L83-Y86 HydrophobicContact CB-CD1 4.17Å; P84-Y86 PolarHBondContact O-N 2.97Å; Y86-L102 HydrophobicContact CD2-CB 4.37Å; Y86-L102 HydrophobicContact CD2-CD1 4.23Å; Y86-L102 HydrophobicContact CD2-CD2 3.52Å; Y86-L102 HydrophobicContact CD2-CG 4.23Å; Y86-L102 HydrophobicContact CE2-CD1 4.13Å; Y86-L102 HydrophobicContact CE2-CD2 3.32Å; Y86-L102 HydrophobicContact CE2-CG 4.27Å
87	C	38.6	Very low	41.1	Very low	36 Å²	36	77.9 Å²	77.9	24%	0.243	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.7	174	-45.4	0	0	0	0	107.6	V69 C71 I103	V69-C87 HydrophobicContact CG1-CB 4.35Å; C71-C87 HydrophobicContact CB-CB 4.23Å; C71-C87 WeakPolarHBondContact CB-SG 3.15Å; C71-C87 WeakPolarHBondContact SG-CB 3.42Å; C71-C87 CovalentContact SG-SG 2.07Å; C71-C87 PolarHBondContact SG-SG 3.21Å; C87-I103 PolarHBondContact O-N 3.11Å
88	S	42.8	Very low	42.5	Very low	14 Å²	14	76.1 Å²	76.1	10%	0.098	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126	170.2	58.3	0	0	0	0	108.8	H73 L102	H73-S88 PolarHBondContact CD2-OG 2.72Å; S88-L102 VanDerWaalsContact CB-CD2 3.41Å
89	I	49.2	Very low	43.8	Very low	88 Å²	88	72.5 Å²	72.5	45%	0.451	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-40.7	-178.5	-56.1	-169.9	0	0	0	110.4	I101 I103	I89-I101 PolarHBondContact N-O 2.84Å; I89-I103 HydrophobicContact CD1-CB 4.25Å; I89-I103 HydrophobicContact CD1-CD1 3.16Å; I89-I103 HydrophobicContact CD1-CG1 3.38Å; I89-I103 HydrophobicContact CG1-CD1 4.35Å; I89-I103 HydrophobicContact CG1-CG1 4.13Å
90	I	51	Low	45.2	Very low	93 Å²	93	71.1 Å²	71.1	48%	0.477	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	120.2	-174.3	-52.6	-177	0	0	0	107.9	H100 I101	I90-H100 WeakPolarHBondContact O-CA 3.3Å; I90-I101 HydrophobicContact CB-CB 4.32Å; I90-I101 HydrophobicContact CB-CD1 4.22Å; I90-I101 HydrophobicContact CB-CG1 4.4Å; I90-I101 HydrophobicContact CD1-CD1 4.34Å; I90-I101 PolarHBondContact O-N 2.91Å
91	S	50	Low	46.8	Very low	27 Å²	27	70.9 Å²	70.9	19%	0.189	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.4	166.5	-65.4	0	0	0	0	107.5	I99 H100	S91-I99 CarbonylContact C-O 3.56Å; S91-I99 WeakPolarHBondContact CA-O 3.33Å; S91-H100 PolarHBondContact OG-ND1 3.39Å
92	W	49.6	Very low	48.4	Very low	65 Å²	65	59.7 Å²	59.7	25%	0.246	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.7	175.2	-176.6	47.8	0	0	0	109.5	R94 W97 G98 I99 F160	W92-R94 HydrophobicContact CZ2-CG 4.28Å; W92-W97 AromaticContact CE3-CH2 3.73Å; W92-W97 HydrophobicContact CE3-CH2 3.73Å; W92-W97 AromaticContact CE3-CZ3 3.58Å; W92-W97 HydrophobicContact CE3-CZ3 3.58Å; W92-W97 AromaticContact CH2-CH2 3.26Å; W92-W97 HydrophobicContact CH2-CH2 3.26Å; W92-W97 AromaticContact CH2-CZ2 3.76Å; W92-W97 HydrophobicContact CH2-CZ2 3.76Å; W92-W97 HydrophobicContact CH2-CZ3 4.02Å; W92-W97 HydrophobicContact CZ2-CH2 4.27Å; W92-W97 AromaticContact CZ3-CH2 2.95Å; W92-W97 HydrophobicContact CZ3-CH2 2.95Å; W92-W97 AromaticContact CZ3-CZ2 3.91Å; W92-W97 HydrophobicContact CZ3-CZ2 3.91Å; W92-W97 AromaticContact CZ3-CZ3 3.29Å; W92-W97 HydrophobicContact CZ3-CZ3 3.29Å; W92-G98 CarbonylContact O-C 3.52Å; W92-G98 WeakPolarHBondContact O-CA 2.91Å; W92-I99 HydrophobicContact CE3-CD1 4.08Å; W92-I99 HydrophobicContact CE3-CG1 4.2Å; W92-I99 HydrophobicContact CZ3-CD1 4.41Å; W92-I99 PolarHBondContact N-O 2.79Å; W92-I99 PolarHBondContact O-N 2.85Å; W92-F160 HydrophobicContact CZ3-CZ 4.17Å
93	H	52.3	Low	49.6	Very low	65 Å²	65	51.8 Å²	51.8	30%	0.301	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.8	-177.4	-62.6	-88.7	0	0	0	111	H100 H144	H93-H100 AromaticContact CE1-CE1 3.24Å; H93-H100 PolarHBondContact CE1-CE1 3.39Å; H93-H100 AromaticContact CE1-NE2 3.39Å; H93-H100 PolarHBondContact CE1-NE2 3.34Å; H93-H100 AromaticContact NE2-CE1 3.34Å; H93-H100 PolarHBondContact NE2-CE1 3.24Å; H93-H100 VanDerWaalsContact NE2-CE1 3.34Å; H93-H100 AromaticContact NE2-NE2 3.95Å; H93-H144 AromaticContact CE1-CE1 3.36Å; H93-H144 PolarHBondContact CE1-CE1 3.41Å; H93-H144 AromaticContact CE1-NE2 3.76Å; H93-H144 AromaticContact ND1-CE1 3.21Å; H93-H144 PolarHBondContact ND1-CE1 2.9Å; H93-H144 AromaticContact ND1-NE2 3.27Å; H93-H144 PolarHBondContact ND1-NE2 3.47Å
94	R	45.6	Very low	50.5	Low	94 Å²	94	50.8 Å²	50.8	36%	0.355	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	160.4	162.3	-66.8	-69.4	-169	178.4	0.9	107.4	W92 L96 W97	W92-R94 HydrophobicContact CZ2-CG 4.28Å; R94-L96 PolarHBondContact O-N 3.47Å; R94-W97 CarbonylContact C-O 3.43Å; R94-W97 WeakPolarHBondContact CA-O 3.41Å; R94-W97 HydrophobicContact CB-CD2 4.23Å; R94-W97 HydrophobicContact CB-CG 4.18Å; R94-W97 WeakPolarHBondContact CB-O 3.36Å; R94-W97 HydrophobicContact CG-CD2 4.21Å; R94-W97 HydrophobicContact CG-CZ2 3.92Å; R94-W97 PolarHBondContact N-O 3.36Å; R94-W97 PolarHBondContact O-N 2.86Å
95	P	49.3	Very low	51.4	Low	102 Å²	102	49.4 Å²	49.4	66%	0.662	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.9	-179.7	-28.2	35.3	0	0	0	114.8	Q146	P95-Q146 PolarHBondContact O-OE1 3.25Å
96	L	50.3	Low	52.2	Low	109 Å²	109	48.9 Å²	48.9	57%	0.571	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-1.1	-175.9	-62	176.9	0	0	0	113.9	R94 Y145 Q146	R94-L96 PolarHBondContact O-N 3.47Å; L96-Y145 CarbonylContact O-C 3.57Å; L96-Y145 VanDerWaalsContact O-CA 3.26Å; L96-Y145 WeakPolarHBondContact O-CA 3.26Å; L96-Q146 PolarHBondContact O-N 2.78Å
97	W	55.7	Low	53.2	Low	90 Å²	90	53.7 Å²	53.7	34%	0.341	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	161.6	178.6	61.3	-84.8	0	0	0	112.3	W92 R94 I99 H144	W92-W97 AromaticContact CE3-CH2 3.73Å; W92-W97 HydrophobicContact CE3-CH2 3.73Å; W92-W97 AromaticContact CE3-CZ3 3.58Å; W92-W97 HydrophobicContact CE3-CZ3 3.58Å; W92-W97 AromaticContact CH2-CH2 3.26Å; W92-W97 HydrophobicContact CH2-CH2 3.26Å; W92-W97 AromaticContact CH2-CZ2 3.76Å; W92-W97 HydrophobicContact CH2-CZ2 3.76Å; W92-W97 HydrophobicContact CH2-CZ3 4.02Å; W92-W97 HydrophobicContact CZ2-CH2 4.27Å; W92-W97 AromaticContact CZ3-CH2 2.95Å; W92-W97 HydrophobicContact CZ3-CH2 2.95Å; W92-W97 AromaticContact CZ3-CZ2 3.91Å; W92-W97 HydrophobicContact CZ3-CZ2 3.91Å; W92-W97 AromaticContact CZ3-CZ3 3.29Å; W92-W97 HydrophobicContact CZ3-CZ3 3.29Å; R94-W97 CarbonylContact C-O 3.43Å; R94-W97 WeakPolarHBondContact CA-O 3.41Å; R94-W97 HydrophobicContact CB-CD2 4.23Å; R94-W97 HydrophobicContact CB-CG 4.18Å; R94-W97 WeakPolarHBondContact CB-O 3.36Å; R94-W97 HydrophobicContact CG-CD2 4.21Å; R94-W97 HydrophobicContact CG-CZ2 3.92Å; R94-W97 PolarHBondContact N-O 3.36Å; R94-W97 PolarHBondContact O-N 2.86Å; W97-I99 HydrophobicContact CE3-CG1 4.15Å; W97-I99 HydrophobicContact CZ3-CD1 3.85Å; W97-I99 HydrophobicContact CZ3-CG1 3.79Å; W97-H144 CarbonylContact C-O 3.53Å; W97-H144 WeakPolarHBondContact CA-O 3.18Å; W97-H144 VanDerWaalsContact CB-O 3.26Å; W97-H144 WeakPolarHBondContact CB-O 3.26Å
98	G	57.3	Low	53.8	Low	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	171.4	171.5	0	0	0	0	0	112.6	W92 L143 H144	W92-G98 CarbonylContact O-C 3.52Å; W92-G98 WeakPolarHBondContact O-CA 2.91Å; G98-L143 WeakPolarHBondContact O-CA 3.12Å; G98-H144 VanDerWaalsContact C-CE1 3.47Å; G98-H144 WeakPolarHBondContact CA-CE1 3.2Å; G98-H144 PolarHBondContact N-CE1 3.39Å; G98-H144 PolarHBondContact N-NE2 3.49Å; G98-H144 PolarHBondContact N-O 2.8Å; G98-H144 PolarHBondContact O-N 2.71Å; G98-H144 PolarHBondContact O-ND1 2.72Å
99	I	57.1	Low	54.4	Low	13 Å²	13	55 Å²	55	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.9	-176.2	-49	-166.7	0	0	0	107.6	S91 W92 W97 I101 I141 C142 L143 F160	S91-I99 CarbonylContact C-O 3.56Å; S91-I99 WeakPolarHBondContact CA-O 3.33Å; W92-I99 HydrophobicContact CE3-CD1 4.08Å; W92-I99 HydrophobicContact CE3-CG1 4.2Å; W92-I99 HydrophobicContact CZ3-CD1 4.41Å; W92-I99 PolarHBondContact N-O 2.79Å; W92-I99 PolarHBondContact O-N 2.85Å; W97-I99 HydrophobicContact CE3-CG1 4.15Å; W97-I99 HydrophobicContact CZ3-CD1 3.85Å; W97-I99 HydrophobicContact CZ3-CG1 3.79Å; I99-I101 HydrophobicContact CG2-CG1 4.12Å; I99-I141 HydrophobicContact CG2-CG2 3.7Å; I99-C142 WeakPolarHBondContact CA-O 3.43Å; I99-L143 HydrophobicContact CB-CD2 4.17Å; I99-L143 HydrophobicContact CD1-CD2 3.7Å; I99-L143 HydrophobicContact CG1-CD2 3.54Å; I99-L143 HydrophobicContact CG2-CD2 3.99Å; I99-F160 HydrophobicContact CD1-CD1 3.98Å; I99-F160 HydrophobicContact CD1-CE1 3.2Å; I99-F160 HydrophobicContact CD1-CZ 3.81Å
100	H	60.7	Low	54.4	Low	44 Å²	44	53.2 Å²	53.2	20%	0.204	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.2	165.6	-58.4	-83.9	0	0	0	108.9	I90 S91 H93 L102 I141 C142 H144	I90-H100 WeakPolarHBondContact O-CA 3.3Å; S91-H100 PolarHBondContact OG-ND1 3.39Å; H93-H100 AromaticContact CE1-CE1 3.24Å; H93-H100 PolarHBondContact CE1-CE1 3.39Å; H93-H100 AromaticContact CE1-NE2 3.39Å; H93-H100 PolarHBondContact CE1-NE2 3.34Å; H93-H100 AromaticContact NE2-CE1 3.34Å; H93-H100 PolarHBondContact NE2-CE1 3.24Å; H93-H100 VanDerWaalsContact NE2-CE1 3.34Å; H93-H100 AromaticContact NE2-NE2 3.95Å; H100-L102 HydrophobicContact CB-CD2 4.31Å; H100-L102 HydrophobicContact CB-CG 4.44Å; H100-I141 CarbonylContact O-C 3.58Å; H100-I141 VanDerWaalsContact O-CA 3.3Å; H100-I141 WeakPolarHBondContact O-CA 3.39Å; H100-C142 HydrophobicContact CB-CB 4.11Å; H100-C142 PolarHBondContact N-O 3.43Å; H100-C142 PolarHBondContact O-N 3.14Å; H100-H144 AromaticContact CD2-CE1 3.92Å; H100-H144 AromaticContact CD2-ND1 3.64Å; H100-H144 AromaticContact NE2-CE1 3.39Å; H100-H144 PolarHBondContact NE2-CE1 2.94Å; H100-H144 AromaticContact NE2-ND1 3.5Å
101	I	60	Low	54.5	Low	26 Å²	26	56.7 Å²	56.7	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.7	171.1	-56	-178.1	0	0	0	107.1	I89 I90 I99 L139	I89-I101 PolarHBondContact N-O 2.84Å; I90-I101 HydrophobicContact CB-CB 4.32Å; I90-I101 HydrophobicContact CB-CD1 4.22Å; I90-I101 HydrophobicContact CB-CG1 4.4Å; I90-I101 HydrophobicContact CD1-CD1 4.34Å; I90-I101 PolarHBondContact O-N 2.91Å; I99-I101 HydrophobicContact CG2-CG1 4.12Å; I101-L139 HydrophobicContact CG2-CD1 3.53Å; I101-L139 HydrophobicContact CG2-CD2 4.12Å; I101-L139 HydrophobicContact CG2-CG 3.81Å
102	L	59.7	Low	54.3	Low	8 Å²	8	61.2 Å²	61.2	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.6	-178.1	-52.1	178	0	0	0	107.9	Y86 S88 H100 V104 L139 W140	Y86-L102 HydrophobicContact CD2-CB 4.37Å; Y86-L102 HydrophobicContact CD2-CD1 4.23Å; Y86-L102 HydrophobicContact CD2-CD2 3.52Å; Y86-L102 HydrophobicContact CD2-CG 4.23Å; Y86-L102 HydrophobicContact CE2-CD1 4.13Å; Y86-L102 HydrophobicContact CE2-CD2 3.32Å; Y86-L102 HydrophobicContact CE2-CG 4.27Å; S88-L102 VanDerWaalsContact CB-CD2 3.41Å; H100-L102 HydrophobicContact CB-CD2 4.31Å; H100-L102 HydrophobicContact CB-CG 4.44Å; L102-V104 HydrophobicContact CB-CG1 4.49Å; L102-L139 CarbonylContact O-C 3.34Å; L102-L139 WeakPolarHBondContact O-CA 3.47Å; L102-W140 HydrophobicContact CB-CB 4.13Å; L102-W140 HydrophobicContact CB-CE3 4.23Å; L102-W140 WeakPolarHBondContact CB-O 3.39Å; L102-W140 HydrophobicContact CD1-CD2 3.98Å; L102-W140 HydrophobicContact CD1-CE3 3.23Å; L102-W140 HydrophobicContact CD1-CH2 4.43Å; L102-W140 HydrophobicContact CD1-CZ3 3.48Å; L102-W140 VanDerWaalsContact CD1-CZ3 3.48Å; L102-W140 HydrophobicContact CG-CE3 4.28Å; L102-W140 PolarHBondContact N-O 3.07Å; L102-W140 PolarHBondContact O-N 3.23Å
103	I	57.5	Low	54.1	Low	52 Å²	52	61 Å²	61	27%	0.267	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.6	163.6	-68.9	-164.9	0	0	0	107	C87 I89 L137 A138 L139	C87-I103 PolarHBondContact O-N 3.11Å; I89-I103 HydrophobicContact CD1-CB 4.25Å; I89-I103 HydrophobicContact CD1-CD1 3.16Å; I89-I103 HydrophobicContact CD1-CG1 3.38Å; I89-I103 HydrophobicContact CG1-CD1 4.35Å; I89-I103 HydrophobicContact CG1-CG1 4.13Å; I103-L137 HydrophobicContact CG2-CB 4.23Å; I103-L137 HydrophobicContact CG2-CD1 4.07Å; I103-L137 HydrophobicContact CG2-CD2 3.76Å; I103-L137 HydrophobicContact CG2-CG 4.23Å; I103-A138 WeakPolarHBondContact CA-O 3.24Å; I103-L139 HydrophobicContact CG1-CD1 4.22Å
104	V	54.8	Low	53.3	Low	3 Å²	3	68.5 Å²	68.5	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.5	178.6	-68	0	0	0	0	109.2	L102 Q106 L109 A138 W140	L102-V104 HydrophobicContact CB-CG1 4.49Å; V104-Q106 PolarHBondContact O-N 3.28Å; V104-L109 HydrophobicContact CG2-CD2 3.52Å; V104-L109 HydrophobicContact CG2-CG 4.02Å; V104-A138 HydrophobicContact CG2-CB 4.14Å; V104-A138 PolarHBondContact N-O 2.86Å; V104-A138 PolarHBondContact O-N 3.48Å; V104-W140 HydrophobicContact CG1-CE3 4.35Å; V104-W140 HydrophobicContact CG2-CB 4.07Å
105	P	56.2	Low	52.9	Low	19 Å²	19	69.2 Å²	69.2	12%	0.123	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	136.4	164.8	-23.3	33.2	0	0	0	109.7	F56 S107 Q108 L109 S136	F56-P105 HydrophobicContact CZ-CG 4.26Å; P105-S107 PolarHBondContact O-N 3.43Å; P105-S107 VanDerWaalsContact O-N 3.17Å; P105-Q108 HydrophobicContact CB-CB 4.32Å; P105-Q108 HydrophobicContact CB-CG 4.06Å; P105-Q108 HydrophobicContact CG-CG 4.22Å; P105-Q108 WeakPolarHBondContact O-CA 3.18Å; P105-Q108 WeakPolarHBondContact O-CB 3.34Å; P105-Q108 PolarHBondContact O-N 3.38Å; P105-L109 PolarHBondContact O-N 2.83Å; P105-S136 CarbonylContact C-O 3.49Å; P105-S136 VanDerWaalsContact CA-O 3.25Å; P105-S136 WeakPolarHBondContact CA-O 3.07Å
106	Q	58.7	Low	52.3	Low	65 Å²	65	71.8 Å²	71.8	30%	0.304	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.1	179.2	-73.3	-170.1	14.5	0	0	112.1	V104 Q108 L109 F130 P135 S136 L137 A138	V104-Q106 PolarHBondContact O-N 3.28Å; Q106-Q108 PolarHBondContact O-N 2.82Å; Q106-L109 HydrophobicContact CB-CD1 4.49Å; Q106-L109 HydrophobicContact CG-CD1 4.45Å; Q106-L109 WeakPolarHBondContact O-CB 3.48Å; Q106-L109 PolarHBondContact O-N 2.85Å; Q106-F130 HydrophobicContact CG-CD1 4.08Å; Q106-F130 HydrophobicContact CG-CE1 4.26Å; Q106-F130 VanDerWaalsContact NE2-CD1 3.28Å; Q106-P135 PolarHBondContact NE2-O 3.18Å; Q106-P135 PolarHBondContact OE1-O 2.86Å; Q106-S136 PolarHBondContact N-O 3.3Å; Q106-L137 PolarHBondContact NE2-O 3.05Å; Q106-A138 HydrophobicContact CG-CB 4.05Å
107	S	60.1	Low	51.4	Low	115 Å²	115	76.4 Å²	76.4	80%	0.804	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63.1	-19.3	174.5	56.7	0	0	0	0	114	P105	P105-S107 PolarHBondContact O-N 3.43Å; P105-S107 VanDerWaalsContact O-N 3.17Å
108	Q	51.5	Low	50.6	Low	57 Å²	57	73.5 Å²	73.5	27%	0.266	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-103.8	1.1	-179.2	-63.2	-178.3	-12.4	0	0	112.6	P84 P105 Q106 P110	P84-Q108 HydrophobicContact CG-CB 3.9Å; P84-Q108 HydrophobicContact CG-CG 3.69Å; P105-Q108 HydrophobicContact CB-CB 4.32Å; P105-Q108 HydrophobicContact CB-CG 4.06Å; P105-Q108 HydrophobicContact CG-CG 4.22Å; P105-Q108 WeakPolarHBondContact O-CA 3.18Å; P105-Q108 WeakPolarHBondContact O-CB 3.34Å; P105-Q108 PolarHBondContact O-N 3.38Å; Q106-Q108 PolarHBondContact O-N 2.82Å; Q108-P110 VanDerWaalsContact O-CD 3.26Å; Q108-P110 WeakPolarHBondContact O-CD 3.46Å
109	L	56.6	Low	49.7	Very low	20 Å²	20	82.8 Å²	82.8	11%	0.105	41%	0.414	C	S	.	.	S	Bend	trans	-65	121.6	171.5	-78.2	169.8	0	0	0	109.2	V104 P105 Q106 L111 I128 F130 A138	V104-L109 HydrophobicContact CG2-CD2 3.52Å; V104-L109 HydrophobicContact CG2-CG 4.02Å; P105-L109 PolarHBondContact O-N 2.83Å; Q106-L109 HydrophobicContact CB-CD1 4.49Å; Q106-L109 HydrophobicContact CG-CD1 4.45Å; Q106-L109 WeakPolarHBondContact O-CB 3.48Å; Q106-L109 PolarHBondContact O-N 2.85Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L109-L111 PolarHBondContact O-N 3.4Å; L109-I128 HydrophobicContact CD1-CG2 3.82Å; L109-I128 HydrophobicContact CD2-CD1 4.03Å; L109-I128 HydrophobicContact CD2-CG1 4.08Å; L109-I128 HydrophobicContact CD2-CG2 3.96Å; L109-F130 HydrophobicContact CD1-CE1 3.75Å; L109-F130 HydrophobicContact CD1-CZ 4.36Å; L109-A138 HydrophobicContact CD1-CB 3.57Å; L109-A138 HydrophobicContact CD2-CB 4.08Å; L109-A138 HydrophobicContact CG-CB 4.04Å
110	P	48.9	Very low	49	Very low	51 Å²	51	86 Å²	86	33%	0.331	43%	0.434	S	S	.	.			trans	-68.9	95.3	170.5	27.6	-32	0	0	0	108.9	Q108 I113	Q108-P110 VanDerWaalsContact O-CD 3.26Å; Q108-P110 WeakPolarHBondContact O-CD 3.46Å; P110-I113 HydrophobicContact CB-CG1 4.33Å; P110-I113 HydrophobicContact CG-CD1 3.83Å; P110-I113 HydrophobicContact CG-CG1 3.78Å; P110-I113 PolarHBondContact O-N 3.44Å
111	L	52	Low	48.2	Very low	165 Å²	165	88.3 Å²	88.3	86%	0.864	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	139.8	169.4	-70.7	163.1	0	0	0	109.8	L109	L109-L111 VanDerWaalsContact C-N 3.34Å; L109-L111 PolarHBondContact O-N 3.4Å
112	P	46.8	Very low	47.4	Very low	123 Å²	123	89 Å²	89	80%	0.799	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn		-86	130.9	-56.3	31.4	-25.9	0	0	0	111.8	R114	P112-R114 PolarHBondContact O-N 3.42Å
113	I	45.7	Very low	46.4	Very low	61 Å²	61	93.4 Å²	93.4	31%	0.313	47%	0.47	S	S	.	.			trans	-66.1	98.8	172.9	-52.1	173	0	0	0	109.2	P110 P126 W140	P110-I113 HydrophobicContact CB-CG1 4.33Å; P110-I113 HydrophobicContact CG-CD1 3.83Å; P110-I113 HydrophobicContact CG-CG1 3.78Å; P110-I113 PolarHBondContact O-N 3.44Å; I113-P126 HydrophobicContact CB-CG 4.17Å; I113-P126 HydrophobicContact CD1-CB 3.99Å; I113-P126 HydrophobicContact CD1-CG 4.09Å; I113-P126 HydrophobicContact CG2-CG 4.05Å; I113-W140 HydrophobicContact CD1-CZ2 3.88Å
114	R	34.5	Very low	46	Very low	222 Å²	222	95.1 Å²	95.1	84%	0.838	47%	0.474	S	S	*	.			trans	-57.2	129.3	158.6	-93.8	-175.8	179	179	0.6	107.2	P112 K116	P112-R114 PolarHBondContact O-N 3.42Å; R114-K116 VanDerWaalsContact C-N 3.29Å; R114-K116 PolarHBondContact O-N 2.83Å
115	P	37.2	Very low	45.7	Very low	109 Å²	109	99.8 Å²	99.8	71%	0.708	49%	0.494	S	S	*	.			trans	-60.2	97.6	171.3	23.5	-30.7	0	0	0	107.9
116	K	37.5	Very low	45.4	Very low	156 Å²	156	100.5 Å²	100.5	68%	0.678	50%	0.499	S	S	*	.			trans	-84.4	124.1	178.6	-147.9	173.5	-176	-179.3	0	106.2	T79 R114 I118	T79-K116 HydrophobicContact CG2-CD 4.13Å; R114-K116 VanDerWaalsContact C-N 3.29Å; R114-K116 PolarHBondContact O-N 2.83Å; K116-I118 PolarHBondContact O-N 3.23Å
117	R	31.6	Very low	45.1	Very low	205 Å²	205	98.7 Å²	98.7	77%	0.774	49%	0.492	S	S	*	.			trans	-56.3	107.1	165.6	-98.3	-176	178.2	-172	-0.2	106.7
118	I	37.7	Very low	44.9	Very low	30 Å²	30	96.5 Å²	96.5	15%	0.154	47%	0.471	C	S	.	.			trans	-76.4	128	164.5	-52.4	-173.3	0	0	0	104.8	T79 K116 T120 Y124	T79-I118 HydrophobicContact CG2-CG1 4.47Å; K116-I118 PolarHBondContact O-N 3.23Å; I118-T120 HydrophobicContact CG2-CG2 4.16Å; I118-T120 WeakPolarHBondContact CG2-OG1 3.3Å; I118-T120 PolarHBondContact O-N 3.43Å; I118-T120 VanDerWaalsContact O-O 3.1Å; I118-Y124 HydrophobicContact CD1-CD2 3.71Å; I118-Y124 HydrophobicContact CD1-CE2 3.98Å
119	H	39.2	Very low	44.9	Very low	194 Å²	194	94.7 Å²	94.7	90%	0.898	47%	0.465	S	S	*	.	S	Bend	trans	-69.2	25.5	177.5	-94.4	-85.5	0	0	0	113.2
120	T	43.1	Very low	44.6	Very low	80 Å²	80	99.6 Å²	99.6	49%	0.491	49%	0.486	S	S	.	.	S	Bend	trans	-116.5	157	173	61.7	0	0	0	0	107.5	I118 H122	I118-T120 HydrophobicContact CG2-CG2 4.16Å; I118-T120 WeakPolarHBondContact CG2-OG1 3.3Å; I118-T120 PolarHBondContact O-N 3.43Å; I118-T120 VanDerWaalsContact O-O 3.1Å; T120-H122 PolarHBondContact O-N 2.78Å
121	T	43.5	Very low	44.7	Very low	93 Å²	93	99.3 Å²	99.3	57%	0.571	48%	0.482	S	S	*	.	S	Bend	trans	-58.5	7.2	-175.7	37.8	0	0	0	0	115.6
122	H	42.5	Very low	44.5	Very low	42 Å²	42	98 Å²	98	19%	0.194	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-111.1	118	-178.6	-56.3	-75.1	0	0	0	110.9	T120 Y124 Y145	T120-H122 PolarHBondContact O-N 2.78Å; H122-Y124 HydrophobicContact CB-CD2 4.37Å; H122-Y124 HydrophobicContact CB-CE2 3.65Å; H122-Y145 WeakPolarHBondContact CA-O 3.49Å
123	R	39.9	Very low	44.5	Very low	99 Å²	99	99.3 Å²	99.3	37%	0.374	47%	0.471	S	S	.	.			trans	-96	128.1	162.5	-50.8	-164.4	-167.6	151	-5	109.1	L143 Y145	R123-L143 VanDerWaalsContact O-O 3.08Å; R123-Y145 HydrophobicContact CB-CD1 4.34Å; R123-Y145 HydrophobicContact CB-CE1 3.49Å; R123-Y145 VanDerWaalsContact CB-CE1 3.49Å; R123-Y145 WeakPolarHBondContact CD-OH 3.39Å; R123-Y145 HydrophobicContact CG-CE1 3.92Å; R123-Y145 HydrophobicContact CG-CE2 4.37Å; R123-Y145 WeakPolarHBondContact CG-OH 3.45Å; R123-Y145 VanDerWaalsContact CZ-OH 3.24Å; R123-Y145 PolarHBondContact NE-OH 3.22Å; R123-Y145 PolarHBondContact NH1-OH 3.48Å
124	Y	49	Very low	44.8	Very low	89 Å²	89	98.8 Å²	98.8	35%	0.349	47%	0.468	S	S	.	.			trans	-99.6	127	172.5	-63.9	-93.5	0	0	0	108.8	I118 H122 C142 L143 H144	I118-Y124 HydrophobicContact CD1-CD2 3.71Å; I118-Y124 HydrophobicContact CD1-CE2 3.98Å; H122-Y124 HydrophobicContact CB-CD2 4.37Å; H122-Y124 HydrophobicContact CB-CE2 3.65Å; Y124-C142 HydrophobicContact CD1-CB 4.41Å; Y124-L143 WeakPolarHBondContact CA-O 2.99Å; Y124-H144 HydrophobicContact CD1-CB 4.09Å; Y124-H144 HydrophobicContact CE1-CB 3.66Å
125	K	48.5	Very low	45.5	Very low	100 Å²	100	92.9 Å²	92.9	44%	0.435	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107	167.1	-168.8	175.4	-179.4	-178.1	0	108.5
126	P	49.3	Very low	46.2	Very low	34 Å²	34	91.2 Å²	91.2	22%	0.221	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130	175.1	31.2	-35.7	0	0	0	109.5	I113 W140 I141	I113-P126 HydrophobicContact CB-CG 4.17Å; I113-P126 HydrophobicContact CD1-CB 3.99Å; I113-P126 HydrophobicContact CD1-CG 4.09Å; I113-P126 HydrophobicContact CG2-CG 4.05Å; P126-W140 HydrophobicContact CB-CZ2 4.45Å; P126-I141 WeakPolarHBondContact CA-O 3.43Å
127	V	52.8	Low	46.8	Very low	28 Å²	28	85.6 Å²	85.6	17%	0.17	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123	163	-172.8	0	0	0	0	106.9	W140 I141 I161 F165	V127-W140 WeakPolarHBondContact O-CA 3.11Å; V127-I141 HydrophobicContact CB-CB 4.13Å; V127-I141 HydrophobicContact CG2-CB 4.47Å; V127-I141 PolarHBondContact N-O 2.88Å; V127-I141 PolarHBondContact O-N 3.29Å; V127-I161 HydrophobicContact CG1-CG2 4.01Å; V127-I161 HydrophobicContact CG2-CD1 3.27Å; V127-I161 HydrophobicContact CG2-CG1 3.99Å; V127-I161 HydrophobicContact CG2-CG2 4.32Å; V127-F165 HydrophobicContact CG1-CE2 4.45Å
128	I	55.5	Low	47.8	Very low	69 Å²	69	75.9 Å²	75.9	35%	0.354	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.2	174.1	-58.7	167.1	0	0	0	106.2	L109 F130 A138 L139	L109-I128 HydrophobicContact CD1-CG2 3.82Å; L109-I128 HydrophobicContact CD2-CD1 4.03Å; L109-I128 HydrophobicContact CD2-CG1 4.08Å; L109-I128 HydrophobicContact CD2-CG2 3.96Å; I128-F130 HydrophobicContact CG2-CE1 4.09Å; I128-F130 HydrophobicContact CG2-CE2 4.3Å; I128-F130 HydrophobicContact CG2-CZ 3.92Å; I128-A138 HydrophobicContact CG2-CB 4.16Å; I128-L139 WeakPolarHBondContact CA-O 3.33Å
129	A	51	Low	48.7	Very low	18 Å²	18	76.1 Å²	76.1	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.1	167.6	0	0	0	0	0	109.6	A138 L139 F165	A129-A138 CarbonylContact O-C 3.21Å; A129-A138 WeakPolarHBondContact O-CA 3.28Å; A129-L139 HydrophobicContact CB-CB 4.36Å; A129-L139 PolarHBondContact N-O 2.92Å; A129-L139 PolarHBondContact O-N 2.81Å; A129-F165 HydrophobicContact CB-CE1 3.36Å; A129-F165 HydrophobicContact CB-CE2 4.24Å; A129-F165 HydrophobicContact CB-CZ 3.14Å
130	F	51.3	Low	49.6	Very low	124 Å²	124	67.4 Å²	67.4	54%	0.544	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.9	178.2	-59.1	-73.2	0	0	0	109.2	Q106 L109 I128 A138	Q106-F130 HydrophobicContact CG-CD1 4.08Å; Q106-F130 HydrophobicContact CG-CE1 4.26Å; Q106-F130 VanDerWaalsContact NE2-CD1 3.28Å; L109-F130 HydrophobicContact CD1-CE1 3.75Å; L109-F130 HydrophobicContact CD1-CZ 4.36Å; I128-F130 HydrophobicContact CG2-CE1 4.09Å; I128-F130 HydrophobicContact CG2-CE2 4.3Å; I128-F130 HydrophobicContact CG2-CZ 3.92Å; F130-A138 HydrophobicContact CD1-CB 4.23Å; F130-A138 HydrophobicContact CE1-CB 4.44Å
131	N	49.6	Very low	50.3	Low	45 Å²	45	64.1 Å²	64.1	24%	0.241	33%	0.33	C	S	.	.			trans	-89.3	111.8	173.9	-171.9	-20.4	0	0	0	108.8	H133 I134 L137	N131-H133 PolarHBondContact O-N 3.28Å; N131-H133 VanDerWaalsContact O-N 3.16Å; N131-H133 WeakPolarHBondContact OD1-CB 3.27Å; N131-H133 PolarHBondContact OD1-N 2.97Å; N131-I134 HydrophobicContact CB-CB 4.46Å; N131-I134 CarbonylContact O-C 3.42Å; N131-I134 PolarHBondContact O-N 2.94Å; N131-I134 VanDerWaalsContact O-N 3.14Å; N131-I134 PolarHBondContact OD1-N 2.76Å; N131-L137 PolarHBondContact N-O 2.85Å
132	D	49.6	Very low	50.7	Low	137 Å²	137	60.2 Å²	60.2	73%	0.733	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.6	178.5	-64.1	-28.1	0	0	0	112.4
133	H	46.2	Very low	51.3	Low	151 Å²	151	59.5 Å²	59.5	70%	0.699	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-21.7	179.2	-59.8	-65.2	0	0	0	113.6	N131	N131-H133 PolarHBondContact O-N 3.28Å; N131-H133 VanDerWaalsContact O-N 3.16Å; N131-H133 WeakPolarHBondContact OD1-CB 3.27Å; N131-H133 PolarHBondContact OD1-N 2.97Å
134	I	51	Low	52.1	Low	50 Å²	50	55.7 Å²	55.7	26%	0.256	29%	0.29	S	S	.	.			trans	-135.3	86.2	179.4	-51.8	176.7	0	0	0	107.8	N131 S136 L137	N131-I134 HydrophobicContact CB-CB 4.46Å; N131-I134 CarbonylContact O-C 3.42Å; N131-I134 PolarHBondContact O-N 2.94Å; N131-I134 VanDerWaalsContact O-N 3.14Å; N131-I134 PolarHBondContact OD1-N 2.76Å; I134-S136 VanDerWaalsContact CG2-OG 3.3Å; I134-S136 WeakPolarHBondContact CG2-OG 3.35Å; I134-S136 PolarHBondContact O-N 2.99Å; I134-L137 HydrophobicContact CB-CB 4.41Å; I134-L137 HydrophobicContact CB-CD1 4.17Å; I134-L137 HydrophobicContact CB-CG 4.34Å; I134-L137 HydrophobicContact CD1-CD1 4.01Å; I134-L137 HydrophobicContact CG2-CB 4.15Å; I134-L137 HydrophobicContact CG2-CD1 3.7Å; I134-L137 HydrophobicContact CG2-CG 3.65Å; I134-L137 PolarHBondContact O-N 3.47Å
135	P	49.3	Very low	52.2	Low	97 Å²	97	53.3 Å²	53.3	63%	0.63	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.9	-176.7	-19.8	30.6	0	0	0	113.7	Q106	Q106-P135 PolarHBondContact NE2-O 3.18Å; Q106-P135 PolarHBondContact OE1-O 2.86Å
136	S	51.8	Low	52	Low	75 Å²	75	52.8 Å²	52.8	52%	0.524	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.3	174.9	57.4	0	0	0	0	113.2	P105 Q106 I134	P105-S136 CarbonylContact C-O 3.49Å; P105-S136 VanDerWaalsContact CA-O 3.25Å; P105-S136 WeakPolarHBondContact CA-O 3.07Å; Q106-S136 PolarHBondContact N-O 3.3Å; I134-S136 VanDerWaalsContact CG2-OG 3.3Å; I134-S136 WeakPolarHBondContact CG2-OG 3.35Å; I134-S136 PolarHBondContact O-N 2.99Å
137	L	50.1	Low	51.6	Low	38 Å²	38	54.2 Å²	54.2	20%	0.199	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.8	-176.2	-63.1	179.9	0	0	0	112.3	I103 Q106 N131 I134	I103-L137 HydrophobicContact CG2-CB 4.23Å; I103-L137 HydrophobicContact CG2-CD1 4.07Å; I103-L137 HydrophobicContact CG2-CD2 3.76Å; I103-L137 HydrophobicContact CG2-CG 4.23Å; Q106-L137 PolarHBondContact NE2-O 3.05Å; N131-L137 PolarHBondContact N-O 2.85Å; I134-L137 HydrophobicContact CB-CB 4.41Å; I134-L137 HydrophobicContact CB-CD1 4.17Å; I134-L137 HydrophobicContact CB-CG 4.34Å; I134-L137 HydrophobicContact CD1-CD1 4.01Å; I134-L137 HydrophobicContact CG2-CB 4.15Å; I134-L137 HydrophobicContact CG2-CD1 3.7Å; I134-L137 HydrophobicContact CG2-CG 3.65Å; I134-L137 PolarHBondContact O-N 3.47Å
138	A	54.2	Low	50.9	Low	1 Å²	1	54.8 Å²	54.8	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.6	168.2	0	0	0	0	0	110.3	I103 V104 Q106 L109 I128 A129 F130	I103-A138 WeakPolarHBondContact CA-O 3.24Å; V104-A138 HydrophobicContact CG2-CB 4.14Å; V104-A138 PolarHBondContact N-O 2.86Å; V104-A138 PolarHBondContact O-N 3.48Å; Q106-A138 HydrophobicContact CG-CB 4.05Å; L109-A138 HydrophobicContact CD1-CB 3.57Å; L109-A138 HydrophobicContact CD2-CB 4.08Å; L109-A138 HydrophobicContact CG-CB 4.04Å; I128-A138 HydrophobicContact CG2-CB 4.16Å; A129-A138 CarbonylContact O-C 3.21Å; A129-A138 WeakPolarHBondContact O-CA 3.28Å; F130-A138 HydrophobicContact CD1-CB 4.23Å; F130-A138 HydrophobicContact CE1-CB 4.44Å
139	L	55.3	Low	49.9	Very low	35 Å²	35	59.8 Å²	59.8	18%	0.183	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.5	170.5	-164.4	103.4	0	0	0	108	I101 L102 I103 I128 A129 I141 F165	I101-L139 HydrophobicContact CG2-CD1 3.53Å; I101-L139 HydrophobicContact CG2-CD2 4.12Å; I101-L139 HydrophobicContact CG2-CG 3.81Å; L102-L139 CarbonylContact O-C 3.34Å; L102-L139 WeakPolarHBondContact O-CA 3.47Å; I103-L139 HydrophobicContact CG1-CD1 4.22Å; I128-L139 WeakPolarHBondContact CA-O 3.33Å; A129-L139 HydrophobicContact CB-CB 4.36Å; A129-L139 PolarHBondContact N-O 2.92Å; A129-L139 PolarHBondContact O-N 2.81Å; L139-I141 HydrophobicContact CD2-CD1 3.65Å; L139-I141 HydrophobicContact CD2-CG1 3.56Å; L139-I141 HydrophobicContact CG-CG1 4.35Å; L139-F165 HydrophobicContact CD2-CE1 4.48Å; L139-F165 HydrophobicContact CD2-CZ 3.79Å
140	W	57.5	Low	48.9	Very low	10 Å²	10	61.1 Å²	61.1	4%	0.038	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.1	176.9	-176.7	35.8	0	0	0	110.1	V77 L83 L102 V104 I113 P126 V127 C142	V77-W140 HydrophobicContact CG2-CH2 4.11Å; L83-W140 HydrophobicContact CD1-CH2 3.63Å; L83-W140 HydrophobicContact CD1-CZ3 3.45Å; L83-W140 VanDerWaalsContact CD1-CZ3 3.45Å; L83-W140 HydrophobicContact CD2-CE3 4.38Å; L83-W140 HydrophobicContact CD2-CH2 4.44Å; L83-W140 HydrophobicContact CD2-CZ3 3.77Å; L83-W140 HydrophobicContact CG-CZ3 4.26Å; L102-W140 HydrophobicContact CB-CB 4.13Å; L102-W140 HydrophobicContact CB-CE3 4.23Å; L102-W140 WeakPolarHBondContact CB-O 3.39Å; L102-W140 HydrophobicContact CD1-CD2 3.98Å; L102-W140 HydrophobicContact CD1-CE3 3.23Å; L102-W140 HydrophobicContact CD1-CH2 4.43Å; L102-W140 HydrophobicContact CD1-CZ3 3.48Å; L102-W140 VanDerWaalsContact CD1-CZ3 3.48Å; L102-W140 HydrophobicContact CG-CE3 4.28Å; L102-W140 PolarHBondContact N-O 3.07Å; L102-W140 PolarHBondContact O-N 3.23Å; V104-W140 HydrophobicContact CG1-CE3 4.35Å; V104-W140 HydrophobicContact CG2-CB 4.07Å; I113-W140 HydrophobicContact CD1-CZ2 3.88Å; P126-W140 HydrophobicContact CB-CZ2 4.45Å; V127-W140 WeakPolarHBondContact O-CA 3.11Å; W140-C142 WeakPolarHBondContact CZ2-SG 3.43Å
141	I	57.9	Low	47.7	Very low	12 Å²	12	59.1 Å²	59.1	6%	0.062	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.7	179	-50.7	171.9	0	0	0	108.8	I99 H100 P126 V127 L139 L143 F165	I99-I141 HydrophobicContact CG2-CG2 3.7Å; H100-I141 CarbonylContact O-C 3.58Å; H100-I141 VanDerWaalsContact O-CA 3.3Å; H100-I141 WeakPolarHBondContact O-CA 3.39Å; P126-I141 WeakPolarHBondContact CA-O 3.43Å; V127-I141 HydrophobicContact CB-CB 4.13Å; V127-I141 HydrophobicContact CG2-CB 4.47Å; V127-I141 PolarHBondContact N-O 2.88Å; V127-I141 PolarHBondContact O-N 3.29Å; L139-I141 HydrophobicContact CD2-CD1 3.65Å; L139-I141 HydrophobicContact CD2-CG1 3.56Å; L139-I141 HydrophobicContact CG-CG1 4.35Å; I141-L143 HydrophobicContact CG2-CD2 4.48Å; I141-F165 HydrophobicContact CD1-CE2 3.63Å; I141-F165 HydrophobicContact CD1-CZ 4.14Å
142	C	53.6	Low	47	Very low	10 Å²	10	60.9 Å²	60.9	7%	0.068	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	106.7	173.8	-80.8	0	0	0	0	109.7	I99 H100 Y124 W140	I99-C142 WeakPolarHBondContact CA-O 3.43Å; H100-C142 HydrophobicContact CB-CB 4.11Å; H100-C142 PolarHBondContact N-O 3.43Å; H100-C142 PolarHBondContact O-N 3.14Å; Y124-C142 HydrophobicContact CD1-CB 4.41Å; W140-C142 WeakPolarHBondContact CZ2-SG 3.43Å
143	L	53.3	Low	46.1	Very low	27 Å²	27	57.8 Å²	57.8	14%	0.141	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.5	166.6	-60.5	173.9	0	0	0	108.3	G98 I99 R123 Y124 I141 A157 I161	G98-L143 WeakPolarHBondContact O-CA 3.12Å; I99-L143 HydrophobicContact CB-CD2 4.17Å; I99-L143 HydrophobicContact CD1-CD2 3.7Å; I99-L143 HydrophobicContact CG1-CD2 3.54Å; I99-L143 HydrophobicContact CG2-CD2 3.99Å; R123-L143 VanDerWaalsContact O-O 3.08Å; Y124-L143 WeakPolarHBondContact CA-O 2.99Å; I141-L143 HydrophobicContact CG2-CD2 4.48Å; L143-A157 HydrophobicContact CD1-CB 3.89Å; L143-I161 HydrophobicContact CD1-CD1 4.1Å; L143-I161 HydrophobicContact CD1-CG1 4.46Å
144	H	58	Low	45.5	Very low	20 Å²	20	54.5 Å²	54.5	9%	0.093	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.9	164	64.7	-79.8	0	0	0	108.9	H93 W97 G98 H100 Y124	H93-H144 AromaticContact CE1-CE1 3.36Å; H93-H144 PolarHBondContact CE1-CE1 3.41Å; H93-H144 AromaticContact CE1-NE2 3.76Å; H93-H144 AromaticContact ND1-CE1 3.21Å; H93-H144 PolarHBondContact ND1-CE1 2.9Å; H93-H144 AromaticContact ND1-NE2 3.27Å; H93-H144 PolarHBondContact ND1-NE2 3.47Å; W97-H144 CarbonylContact C-O 3.53Å; W97-H144 WeakPolarHBondContact CA-O 3.18Å; W97-H144 VanDerWaalsContact CB-O 3.26Å; W97-H144 WeakPolarHBondContact CB-O 3.26Å; G98-H144 VanDerWaalsContact C-CE1 3.47Å; G98-H144 WeakPolarHBondContact CA-CE1 3.2Å; G98-H144 PolarHBondContact N-CE1 3.39Å; G98-H144 PolarHBondContact N-NE2 3.49Å; G98-H144 PolarHBondContact N-O 2.8Å; G98-H144 PolarHBondContact O-N 2.71Å; G98-H144 PolarHBondContact O-ND1 2.72Å; H100-H144 AromaticContact CD2-CE1 3.92Å; H100-H144 AromaticContact CD2-ND1 3.64Å; H100-H144 AromaticContact NE2-CE1 3.39Å; H100-H144 PolarHBondContact NE2-CE1 2.94Å; H100-H144 AromaticContact NE2-ND1 3.5Å; Y124-H144 HydrophobicContact CD1-CB 4.09Å; Y124-H144 HydrophobicContact CE1-CB 3.66Å
145	Y	50	Low	44.6	Very low	39 Å²	39	55.9 Å²	55.9	15%	0.153	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.6	170	66.6	-94.4	0	0	0	108.2	L96 H122 R123 S148	L96-Y145 CarbonylContact O-C 3.57Å; L96-Y145 VanDerWaalsContact O-CA 3.26Å; L96-Y145 WeakPolarHBondContact O-CA 3.26Å; H122-Y145 WeakPolarHBondContact CA-O 3.49Å; R123-Y145 HydrophobicContact CB-CD1 4.34Å; R123-Y145 HydrophobicContact CB-CE1 3.49Å; R123-Y145 VanDerWaalsContact CB-CE1 3.49Å; R123-Y145 WeakPolarHBondContact CD-OH 3.39Å; R123-Y145 HydrophobicContact CG-CE1 3.92Å; R123-Y145 HydrophobicContact CG-CE2 4.37Å; R123-Y145 WeakPolarHBondContact CG-OH 3.45Å; R123-Y145 VanDerWaalsContact CZ-OH 3.24Å; R123-Y145 PolarHBondContact NE-OH 3.22Å; R123-Y145 PolarHBondContact NH1-OH 3.48Å; Y145-S148 WeakPolarHBondContact CE2-OG 3.12Å
146	Q	45.1	Very low	43.7	Very low	89 Å²	89	53.5 Å²	53.5	42%	0.416	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-101.8	121.7	174.1	-168.7	175.8	-6.2	0	0	107.4	P95 L96	P95-Q146 PolarHBondContact O-OE1 3.25Å; L96-Q146 PolarHBondContact O-N 2.78Å
147	G	40.9	Very low	42.9	Very low	63 Å²	63	50.5 Å²	50.5	65%	0.649	32%	0.319	S	S	*	.	S	Bend	trans	95.4	35.5	159	0	0	0	0	0	118.8
148	S	36.9	Very low	42.2	Very low	41 Å²	41	55 Å²	55	29%	0.287	34%	0.337	S	S	.	.			trans	-130.7	110.9	164.6	71.8	0	0	0	0	113.4	Y145 G150	Y145-S148 WeakPolarHBondContact CE2-OG 3.12Å; S148-G150 WeakPolarHBondContact CB-O 2.92Å; S148-G150 PolarHBondContact O-N 2.74Å; S148-G150 PolarHBondContact OG-O 3.27Å
149	N	36.1	Very low	41.3	Very low	174 Å²	174	61.2 Å²	61.2	93%	0.93	36%	0.364	S	S	*	.	S	Bend	trans	-60.5	-12.9	151.6	-78.2	-23.8	0	0	0	111.3
150	G	28.4	Very low	40.7	Very low	45 Å²	45	62.3 Å²	62.3	46%	0.464	37%	0.367	S	S	.	.	S	Bend	trans	-79.8	119.4	165.3	0	0	0	0	0	111.2	S148 V152	S148-G150 WeakPolarHBondContact CB-O 2.92Å; S148-G150 PolarHBondContact O-N 2.74Å; S148-G150 PolarHBondContact OG-O 3.27Å; G150-V152 PolarHBondContact O-N 3.36Å
151	C	26.8	Very low	40.1	Very low	82 Å²	82	62.9 Å²	62.9	55%	0.554	37%	0.37	S	S	*	.			trans	-55.8	110.3	166.1	-72.4	0	0	0	0	109	T153	C151-T153 PolarHBondContact O-N 3.21Å
152	V	34.7	Very low	39.3	Very low	83 Å²	83	66.1 Å²	66.1	50%	0.503	39%	0.387	S	S	.	.			trans	-56.3	107.6	147.5	175.6	0	0	0	0	103.4	G150 A156	G150-V152 PolarHBondContact O-N 3.36Å; V152-A156 HydrophobicContact CG1-CB 3.93Å
153	T	30.7	Very low	38.7	Very low	71 Å²	71	71.7 Å²	71.7	44%	0.436	41%	0.41	S	S	.	.			trans	-56.6	139.6	-170.2	45	0	0	0	0	107.2	C151 V155 A156 A157	C151-T153 PolarHBondContact O-N 3.21Å; T153-V155 CarbonylContact O-C 3.52Å; T153-V155 PolarHBondContact O-N 3.35Å; T153-A156 PolarHBondContact O-N 2.85Å; T153-A157 PolarHBondContact O-N 2.89Å
154	P	34.2	Very low	38.4	Very low	82 Å²	82	73 Å²	73	53%	0.532	42%	0.415	S	S	.	.	H	α-helix	trans	-46.3	-25.1	172	-27.4	33	0	0	0	112.4	K158	P154-K158 WeakPolarHBondContact O-CB 3.24Å; P154-K158 PolarHBondContact O-N 3.18Å
155	V	31.6	Very low	37.8	Very low	79 Å²	79	75.1 Å²	75.1	48%	0.479	43%	0.425	S	S	.	.	H	α-helix	trans	-59.7	-56.5	171	-175.9	0	0	0	0	112.9	T153 A157 K158 F159	T153-V155 CarbonylContact O-C 3.52Å; T153-V155 PolarHBondContact O-N 3.35Å; V155-A157 PolarHBondContact O-N 3.18Å; V155-K158 CarbonylContact O-C 3.52Å; V155-K158 PolarHBondContact O-N 3.43Å; V155-F159 HydrophobicContact CG1-CD2 3.49Å; V155-F159 VanDerWaalsContact CG1-CD2 3.49Å; V155-F159 HydrophobicContact CG1-CE2 3.24Å; V155-F159 HydrophobicContact CG1-CZ 4.46Å; V155-F159 WeakPolarHBondContact O-CB 3.2Å; V155-F159 WeakPolarHBondContact O-CD2 3.36Å; V155-F159 PolarHBondContact O-N 2.76Å
156	A	29.7	Very low	37.3	Very low	47 Å²	47	77.3 Å²	77.3	39%	0.388	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-40.5	-180	0	0	0	0	0	112.3	V152 T153 F159 F160	V152-A156 HydrophobicContact CG1-CB 3.93Å; T153-A156 PolarHBondContact O-N 2.85Å; A156-F159 PolarHBondContact O-N 2.89Å; A156-F160 WeakPolarHBondContact O-CB 3.25Å; A156-F160 PolarHBondContact O-N 3.29Å
157	A	36.6	Very low	37.3	Very low	13 Å²	13	73.5 Å²	73.5	11%	0.107	43%	0.426	C	S	.	.	H	α-helix	trans	-63.9	-46.7	172.7	0	0	0	0	0	111	L143 T153 V155 F159 F160 I161	L143-A157 HydrophobicContact CD1-CB 3.89Å; T153-A157 PolarHBondContact O-N 2.89Å; V155-A157 PolarHBondContact O-N 3.18Å; A157-F159 VanDerWaalsContact C-N 3.32Å; A157-F159 PolarHBondContact O-N 2.87Å; A157-F160 PolarHBondContact O-N 2.61Å; A157-I161 HydrophobicContact CB-CD1 4.36Å; A157-I161 VanDerWaalsContact O-CB 3.28Å; A157-I161 WeakPolarHBondContact O-CB 3.3Å; A157-I161 WeakPolarHBondContact O-CD1 3.22Å; A157-I161 WeakPolarHBondContact O-CG1 3.41Å; A157-I161 PolarHBondContact O-N 2.79Å
158	K	34.4	Very low	37.4	Very low	133 Å²	133	73.1 Å²	73.1	58%	0.578	41%	0.409	S	S	*	.	H	α-helix	trans	-61.2	-39.5	177.7	-176.7	177.6	-178.4	-174.8	0	111.4	P154 V155 I162	P154-K158 WeakPolarHBondContact O-CB 3.24Å; P154-K158 PolarHBondContact O-N 3.18Å; V155-K158 CarbonylContact O-C 3.52Å; V155-K158 PolarHBondContact O-N 3.43Å; K158-I162 HydrophobicContact CD-CD1 4.43Å; K158-I162 HydrophobicContact CG-CD1 3.66Å; K158-I162 HydrophobicContact CG-CG1 4.37Å; K158-I162 VanDerWaalsContact O-CB 3.27Å; K158-I162 WeakPolarHBondContact O-CB 3.35Å; K158-I162 WeakPolarHBondContact O-CD1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.36Å; K158-I162 PolarHBondContact O-N 3Å
159	F	36.4	Very low	37.5	Very low	131 Å²	131	78.4 Å²	78.4	58%	0.575	43%	0.427	S	S	*	.	H	α-helix	trans	-65.8	-47	173.6	-81.4	-65.2	0	0	0	111.4	V155 A156 A157 I161 I162 F163	V155-F159 HydrophobicContact CG1-CD2 3.49Å; V155-F159 VanDerWaalsContact CG1-CD2 3.49Å; V155-F159 HydrophobicContact CG1-CE2 3.24Å; V155-F159 HydrophobicContact CG1-CZ 4.46Å; V155-F159 WeakPolarHBondContact O-CB 3.2Å; V155-F159 WeakPolarHBondContact O-CD2 3.36Å; V155-F159 PolarHBondContact O-N 2.76Å; A156-F159 PolarHBondContact O-N 2.89Å; A157-F159 VanDerWaalsContact C-N 3.32Å; A157-F159 PolarHBondContact O-N 2.87Å; F159-I161 VanDerWaalsContact C-N 3.32Å; F159-I161 PolarHBondContact O-N 2.93Å; F159-I162 PolarHBondContact O-N 2.9Å; F159-F163 VanDerWaalsContact O-CB 3.3Å; F159-F163 WeakPolarHBondContact O-CB 3.46Å; F159-F163 PolarHBondContact O-N 3.14Å
160	F	42.5	Very low	37.7	Very low	58 Å²	58	74.1 Å²	74.1	25%	0.254	40%	0.402	S	S	.	.	H	α-helix	trans	-60	-43.3	178	-164.3	-86	0	0	0	111.9	W92 I99 A156 A157 H164	W92-F160 HydrophobicContact CZ3-CZ 4.17Å; I99-F160 HydrophobicContact CD1-CD1 3.98Å; I99-F160 HydrophobicContact CD1-CE1 3.2Å; I99-F160 HydrophobicContact CD1-CZ 3.81Å; A156-F160 WeakPolarHBondContact O-CB 3.25Å; A156-F160 PolarHBondContact O-N 3.29Å; A157-F160 PolarHBondContact O-N 2.61Å; F160-H164 AromaticContact CD1-CE1 3.85Å; F160-H164 AromaticContact CD1-ND1 3.75Å; F160-H164 AromaticContact CE1-CE1 3.22Å; F160-H164 WeakPolarHBondContact CE1-CE1 3.18Å; F160-H164 AromaticContact CE1-ND1 3.56Å; F160-H164 AromaticContact CE1-NE2 3.5Å; F160-H164 AromaticContact CE2-CE1 3.69Å; F160-H164 AromaticContact CZ-CE1 3.15Å; F160-H164 WeakPolarHBondContact CZ-CE1 3.32Å; F160-H164 AromaticContact CZ-ND1 3.9Å; F160-H164 AromaticContact CZ-NE2 3.52Å; F160-H164 WeakPolarHBondContact O-CB 3.09Å; F160-H164 PolarHBondContact O-N 3.4Å; F160-H164 PolarHBondContact O-ND1 3.26Å
161	I	45	Very low	38.2	Very low	21 Å²	21	75.8 Å²	75.8	11%	0.108	40%	0.399	C	S	.	.	H	α-helix	trans	-64.5	-50.9	175.9	-67.1	156.9	0	0	0	110	V127 L143 A157 F159 F163 H164 F165	V127-I161 HydrophobicContact CG1-CG2 4.01Å; V127-I161 HydrophobicContact CG2-CD1 3.27Å; V127-I161 HydrophobicContact CG2-CG1 3.99Å; V127-I161 HydrophobicContact CG2-CG2 4.32Å; L143-I161 HydrophobicContact CD1-CD1 4.1Å; L143-I161 HydrophobicContact CD1-CG1 4.46Å; A157-I161 HydrophobicContact CB-CD1 4.36Å; A157-I161 VanDerWaalsContact O-CB 3.28Å; A157-I161 WeakPolarHBondContact O-CB 3.3Å; A157-I161 WeakPolarHBondContact O-CD1 3.22Å; A157-I161 WeakPolarHBondContact O-CG1 3.41Å; A157-I161 PolarHBondContact O-N 2.79Å; F159-I161 VanDerWaalsContact C-N 3.32Å; F159-I161 PolarHBondContact O-N 2.93Å; I161-F163 PolarHBondContact O-N 3.43Å; I161-H164 PolarHBondContact O-N 3.2Å; I161-F165 HydrophobicContact CG2-CD2 3.6Å; I161-F165 HydrophobicContact CG2-CE2 3.78Å; I161-F165 WeakPolarHBondContact O-CB 3.21Å; I161-F165 VanDerWaalsContact O-CD2 3.24Å; I161-F165 WeakPolarHBondContact O-CD2 3.15Å; I161-F165 PolarHBondContact O-N 3.27Å
162	I	40.2	Very low	38.7	Very low	80 Å²	80	77 Å²	77	41%	0.41	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-42.6	178.2	-70.2	167.8	0	0	0	111.1	K158 F159 H164 F165 V166	K158-I162 HydrophobicContact CD-CD1 4.43Å; K158-I162 HydrophobicContact CG-CD1 3.66Å; K158-I162 HydrophobicContact CG-CG1 4.37Å; K158-I162 VanDerWaalsContact O-CB 3.27Å; K158-I162 WeakPolarHBondContact O-CB 3.35Å; K158-I162 WeakPolarHBondContact O-CD1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.36Å; K158-I162 PolarHBondContact O-N 3Å; F159-I162 PolarHBondContact O-N 2.9Å; I162-H164 PolarHBondContact O-N 3.05Å; I162-F165 PolarHBondContact O-N 3.18Å; I162-V166 HydrophobicContact CG2-CG2 4.36Å; I162-V166 WeakPolarHBondContact O-CG2 3.41Å; I162-V166 PolarHBondContact O-N 2.86Å
163	F	40.7	Very low	38.9	Very low	127 Å²	127	75.8 Å²	75.8	56%	0.557	39%	0.393	S	S	*	.	H	α-helix	trans	-61	-45	177.3	-119.8	-99.9	0	0	0	111.5	F159 I161 G167 Y185	F159-F163 VanDerWaalsContact O-CB 3.3Å; F159-F163 WeakPolarHBondContact O-CB 3.46Å; F159-F163 PolarHBondContact O-N 3.14Å; I161-F163 PolarHBondContact O-N 3.43Å; F163-G167 PolarHBondContact O-N 2.68Å; F163-Y185 AromaticContact CD1-CE2 3.89Å; F163-Y185 HydrophobicContact CD1-CE2 3.89Å; F163-Y185 HydrophobicContact CE1-CE2 4.43Å
164	H	48	Very low	39.3	Very low	54 Å²	54	79 Å²	79	25%	0.25	42%	0.415	C	S	.	.	H	α-helix	trans	-70.3	-32.3	177	-77.6	57.8	0	0	0	112	F160 I161 I162 L168 Y185	F160-H164 AromaticContact CD1-CE1 3.85Å; F160-H164 AromaticContact CD1-ND1 3.75Å; F160-H164 AromaticContact CE1-CE1 3.22Å; F160-H164 WeakPolarHBondContact CE1-CE1 3.18Å; F160-H164 AromaticContact CE1-ND1 3.56Å; F160-H164 AromaticContact CE1-NE2 3.5Å; F160-H164 AromaticContact CE2-CE1 3.69Å; F160-H164 AromaticContact CZ-CE1 3.15Å; F160-H164 WeakPolarHBondContact CZ-CE1 3.32Å; F160-H164 AromaticContact CZ-ND1 3.9Å; F160-H164 AromaticContact CZ-NE2 3.52Å; F160-H164 WeakPolarHBondContact O-CB 3.09Å; F160-H164 PolarHBondContact O-N 3.4Å; F160-H164 PolarHBondContact O-ND1 3.26Å; I161-H164 PolarHBondContact O-N 3.2Å; I162-H164 PolarHBondContact O-N 3.05Å; H164-L168 WeakPolarHBondContact O-CB 2.99Å; H164-L168 WeakPolarHBondContact O-CD1 3.42Å; H164-L168 WeakPolarHBondContact O-CG 3.37Å; H164-L168 PolarHBondContact O-N 2.95Å; H164-Y185 PolarHBondContact CE1-OH 3.36Å; H164-Y185 PolarHBondContact ND1-OH 2.81Å
165	F	45.7	Very low	39.9	Very low	66 Å²	66	77.3 Å²	77.3	29%	0.289	41%	0.405	S	S	.	.	H	α-helix	trans	-71.5	-38.7	175.7	-95.3	-79.9	0	0	0	112.9	V127 A129 L139 I141 I161 I162 L168 K169	V127-F165 HydrophobicContact CG1-CE2 4.45Å; A129-F165 HydrophobicContact CB-CE1 3.36Å; A129-F165 HydrophobicContact CB-CE2 4.24Å; A129-F165 HydrophobicContact CB-CZ 3.14Å; L139-F165 HydrophobicContact CD2-CE1 4.48Å; L139-F165 HydrophobicContact CD2-CZ 3.79Å; I141-F165 HydrophobicContact CD1-CE2 3.63Å; I141-F165 HydrophobicContact CD1-CZ 4.14Å; I161-F165 HydrophobicContact CG2-CD2 3.6Å; I161-F165 HydrophobicContact CG2-CE2 3.78Å; I161-F165 WeakPolarHBondContact O-CB 3.21Å; I161-F165 VanDerWaalsContact O-CD2 3.24Å; I161-F165 WeakPolarHBondContact O-CD2 3.15Å; I161-F165 PolarHBondContact O-N 3.27Å; I162-F165 PolarHBondContact O-N 3.18Å; F165-L168 PolarHBondContact O-N 2.88Å; F165-K169 WeakPolarHBondContact O-CB 3.28Å; F165-K169 PolarHBondContact O-N 2.66Å
166	V	39.9	Very low	40.4	Very low	84 Å²	84	84.9 Å²	84.9	51%	0.509	43%	0.425	S	S	.	.	H	α-helix	trans	-66.1	-44.7	173.2	174.9	0	0	0	0	109.8	I162 K169 E170	I162-V166 HydrophobicContact CG2-CG2 4.36Å; I162-V166 WeakPolarHBondContact O-CG2 3.41Å; I162-V166 PolarHBondContact O-N 2.86Å; V166-K169 PolarHBondContact O-N 2.84Å; V166-E170 PolarHBondContact O-N 3.11Å; V166-E170 VanDerWaalsContact O-N 3.07Å
167	G	43.2	Very low	41.3	Very low	9 Å²	9	87.7 Å²	87.7	9%	0.093	43%	0.433	C	S	.	.	H	α-helix	trans	-59.1	-47.1	172.6	0	0	0	0	0	112.7	F163 K169 E170 I171	F163-G167 PolarHBondContact O-N 2.68Å; G167-K169 PolarHBondContact O-N 3.45Å; G167-E170 PolarHBondContact O-N 3.34Å; G167-I171 WeakPolarHBondContact O-CD1 3.23Å; G167-I171 WeakPolarHBondContact O-CG1 3.23Å; G167-I171 PolarHBondContact O-N 3.36Å
168	L	42.9	Very low	41.4	Very low	56 Å²	56	87.5 Å²	87.5	29%	0.293	43%	0.432	S	S	.	.	H	α-helix	trans	-64.1	-37.2	176.4	-90.4	151.6	0	0	0	112.7	H164 F165 E170 I171 M172	H164-L168 WeakPolarHBondContact O-CB 2.99Å; H164-L168 WeakPolarHBondContact O-CD1 3.42Å; H164-L168 WeakPolarHBondContact O-CG 3.37Å; H164-L168 PolarHBondContact O-N 2.95Å; F165-L168 PolarHBondContact O-N 2.88Å; L168-E170 VanDerWaalsContact C-N 3.3Å; L168-E170 PolarHBondContact O-N 2.9Å; L168-I171 PolarHBondContact O-N 3.25Å; L168-M172 WeakPolarHBondContact O-CB 3.34Å; L168-M172 VanDerWaalsContact O-CG 3.3Å; L168-M172 WeakPolarHBondContact O-CG 3.46Å; L168-M172 PolarHBondContact O-N 3.25Å
169	K	40.5	Very low	41.5	Very low	151 Å²	151	84.6 Å²	84.6	66%	0.657	43%	0.426	S	S	*	.	H	α-helix	trans	-64	-37.1	175	-128.6	179.7	-178.8	-178.1	0	111.6	F165 V166 G167 S173	F165-K169 WeakPolarHBondContact O-CB 3.28Å; F165-K169 PolarHBondContact O-N 2.66Å; V166-K169 PolarHBondContact O-N 2.84Å; G167-K169 PolarHBondContact O-N 3.45Å; K169-S173 PolarHBondContact O-N 2.81Å
170	E	38.7	Very low	41.8	Very low	85 Å²	85	86.5 Å²	86.5	40%	0.397	43%	0.429	S	S	.	.	H	α-helix	trans	-71.3	-34.9	173	-70.9	-169	173.7	0	0	112.4	V166 G167 L168 S173 A178 N181	V166-E170 PolarHBondContact O-N 3.11Å; V166-E170 VanDerWaalsContact O-N 3.07Å; G167-E170 PolarHBondContact O-N 3.34Å; L168-E170 VanDerWaalsContact C-N 3.3Å; L168-E170 PolarHBondContact O-N 2.9Å; E170-S173 PolarHBondContact O-N 3.07Å; E170-A178 WeakPolarHBondContact O-CB 3.07Å; E170-N181 WeakPolarHBondContact OE2-CB 3.01Å; E170-N181 PolarHBondContact OE2-ND2 2.99Å
171	I	40.4	Very low	41.9	Very low	79 Å²	79	86.2 Å²	86.2	41%	0.405	43%	0.43	S	S	.	.	H	α-helix	trans	-69.8	-36.1	176.6	-65.1	165.4	0	0	0	112.3	G167 L168 S173 L182	G167-I171 WeakPolarHBondContact O-CD1 3.23Å; G167-I171 WeakPolarHBondContact O-CG1 3.23Å; G167-I171 PolarHBondContact O-N 3.36Å; L168-I171 PolarHBondContact O-N 3.25Å; I171-S173 VanDerWaalsContact C-N 3.27Å; I171-S173 PolarHBondContact O-N 2.83Å; I171-L182 HydrophobicContact CB-CD1 4.49Å; I171-L182 HydrophobicContact CD1-CD1 4.03Å; I171-L182 HydrophobicContact CD1-CD2 4.12Å; I171-L182 HydrophobicContact CD1-CG 3.92Å; I171-L182 HydrophobicContact CG1-CD1 3.58Å; I171-L182 HydrophobicContact CG1-CG 3.81Å; I171-L182 HydrophobicContact CG2-CD1 4.28Å
172	M	36.2	Very low	41.6	Very low	107 Å²	107	86.6 Å²	86.6	53%	0.527	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7	177.4	-66.1	-171.4	-40.8	0	0	113.2	L168	L168-M172 WeakPolarHBondContact O-CB 3.34Å; L168-M172 VanDerWaalsContact O-CG 3.3Å; L168-M172 WeakPolarHBondContact O-CG 3.46Å; L168-M172 PolarHBondContact O-N 3.25Å
173	S	38.8	Very low	41.7	Very low	58 Å²	58	86.9 Å²	86.9	41%	0.406	43%	0.434	S	S	.	.	S	Bend	trans	-88.5	122.6	169.7	-176.1	0	0	0	0	109.1	K169 E170 I171 S175	K169-S173 PolarHBondContact O-N 2.81Å; E170-S173 PolarHBondContact O-N 3.07Å; I171-S173 VanDerWaalsContact C-N 3.27Å; I171-S173 PolarHBondContact O-N 2.83Å; S173-S175 PolarHBondContact O-N 3.09Å
174	P	39.1	Very low	41.6	Very low	139 Å²	139	85.8 Å²	85.8	90%	0.903	43%	0.431	S	S	*	.			trans	-73.2	41.3	-176.5	30.7	-35.4	0	0	0	113.3
175	S	47.2	Very low	41	Very low	46 Å²	46	85.5 Å²	85.5	32%	0.322	43%	0.428	S	S	.	.			trans	-89.1	142	179.3	81.9	0	0	0	0	111.1	S173 N177 A178	S173-S175 PolarHBondContact O-N 3.09Å; S175-N177 PolarHBondContact O-N 2.76Å; S175-N177 PolarHBondContact OG-N 3.24Å; S175-A178 WeakPolarHBondContact O-CB 3.44Å; S175-A178 PolarHBondContact O-N 3.49Å; S175-A178 PolarHBondContact OG-N 3.28Å; S175-A178 VanDerWaalsContact OG-N 3.14Å
176	R	42.1	Very low	40.8	Very low	239 Å²	239	87.9 Å²	87.9	90%	0.902	44%	0.435	S	S	*	.	H	α-helix	trans	-56.4	-20.7	168.9	-73	-177.8	178.7	-176.9	-0.4	112.6
177	N	48	Very low	40.7	Very low	105 Å²	105	94.7 Å²	94.7	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-73.6	-27	175.3	-69.5	-16.6	0	0	0	112.7	S175 T179 R180 N181	S175-N177 PolarHBondContact O-N 2.76Å; S175-N177 PolarHBondContact OG-N 3.24Å; N177-T179 VanDerWaalsContact C-N 3.26Å; N177-T179 PolarHBondContact O-N 3.23Å; N177-R180 PolarHBondContact O-N 3.16Å; N177-N181 WeakPolarHBondContact O-CB 3.5Å; N177-N181 VanDerWaalsContact O-CG 3.31Å; N177-N181 PolarHBondContact O-N 3.36Å
178	A	39.2	Very low	40.2	Very low	10 Å²	10	100.3 Å²	100.3	8%	0.083	48%	0.484	C	S	.	.	H	α-helix	trans	-57.1	-40.6	179	0	0	0	0	0	111.6	E170 S175 L182	E170-A178 WeakPolarHBondContact O-CB 3.07Å; S175-A178 WeakPolarHBondContact O-CB 3.44Å; S175-A178 PolarHBondContact O-N 3.49Å; S175-A178 PolarHBondContact OG-N 3.28Å; S175-A178 VanDerWaalsContact OG-N 3.14Å; A178-L182 VanDerWaalsContact O-CB 3.28Å; A178-L182 WeakPolarHBondContact O-CB 3.43Å; A178-L182 PolarHBondContact O-N 3.41Å
179	T	37.8	Very low	39.7	Very low	71 Å²	71	104 Å²	104	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-69.2	-39.7	179.6	-43.5	0	0	0	0	113	N177 N183	N177-T179 VanDerWaalsContact C-N 3.26Å; N177-T179 PolarHBondContact O-N 3.23Å; T179-N183 PolarHBondContact O-N 3.36Å; T179-N183 VanDerWaalsContact O-N 3.14Å
180	R	41.8	Very low	39.6	Very low	171 Å²	171	101.7 Å²	101.7	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-70.9	-41.1	178.3	-169.3	178.9	-178.7	179	0.8	110.7	N177 N183 Q184	N177-R180 PolarHBondContact O-N 3.16Å; R180-N183 PolarHBondContact O-N 2.68Å; R180-Q184 WeakPolarHBondContact O-CB 3.42Å; R180-Q184 WeakPolarHBondContact O-CG 3.48Å; R180-Q184 PolarHBondContact O-N 2.8Å
181	N	43.7	Very low	39.7	Very low	53 Å²	53	102.5 Å²	102.5	28%	0.283	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-40.3	175.7	-71.1	3.4	0	0	0	110.9	E170 N177 N183 Q184 Y185	E170-N181 WeakPolarHBondContact OE2-CB 3.01Å; E170-N181 PolarHBondContact OE2-ND2 2.99Å; N177-N181 WeakPolarHBondContact O-CB 3.5Å; N177-N181 VanDerWaalsContact O-CG 3.31Å; N177-N181 PolarHBondContact O-N 3.36Å; N181-N183 PolarHBondContact O-N 3.37Å; N181-Q184 PolarHBondContact O-N 2.91Å; N181-Y185 WeakPolarHBondContact O-CA 3.5Å; N181-Y185 WeakPolarHBondContact O-CB 3.44Å; N181-Y185 PolarHBondContact O-N 2.98Å
182	L	40.2	Very low	39.6	Very low	28 Å²	28	103.8 Å²	103.8	15%	0.147	51%	0.506	C	S	.	.	H	α-helix	trans	-55.9	-50.8	172.3	-115.4	154	0	0	0	112.1	I171 A178 Y185 W186	I171-L182 HydrophobicContact CB-CD1 4.49Å; I171-L182 HydrophobicContact CD1-CD1 4.03Å; I171-L182 HydrophobicContact CD1-CD2 4.12Å; I171-L182 HydrophobicContact CD1-CG 3.92Å; I171-L182 HydrophobicContact CG1-CD1 3.58Å; I171-L182 HydrophobicContact CG1-CG 3.81Å; I171-L182 HydrophobicContact CG2-CD1 4.28Å; A178-L182 VanDerWaalsContact O-CB 3.28Å; A178-L182 WeakPolarHBondContact O-CB 3.43Å; A178-L182 PolarHBondContact O-N 3.41Å; L182-Y185 WeakPolarHBondContact O-CB 3.25Å; L182-Y185 PolarHBondContact O-N 3.38Å; L182-W186 PolarHBondContact O-N 3Å
183	N	40.9	Very low	39.8	Very low	86 Å²	86	103.6 Å²	103.6	46%	0.46	51%	0.505	S	S	.	.	H	α-helix	trans	-69.6	-32.6	-178.9	-82.3	-20.5	0	0	0	113.2	T179 R180 N181 R187	T179-N183 PolarHBondContact O-N 3.36Å; T179-N183 VanDerWaalsContact O-N 3.14Å; R180-N183 PolarHBondContact O-N 2.68Å; N181-N183 PolarHBondContact O-N 3.37Å; N183-R187 PolarHBondContact O-N 3.32Å
184	Q	39.7	Very low	39.9	Very low	104 Å²	104	106.5 Å²	106.5	49%	0.486	51%	0.511	S	S	.	.	H	α-helix	trans	-70.4	-40.3	171.3	-75.7	178.4	-24.5	0	0	111.4	R180 N181 R187 V188	R180-Q184 WeakPolarHBondContact O-CB 3.42Å; R180-Q184 WeakPolarHBondContact O-CG 3.48Å; R180-Q184 PolarHBondContact O-N 2.8Å; N181-Q184 PolarHBondContact O-N 2.91Å; Q184-R187 PolarHBondContact O-N 3.28Å; Q184-R187 VanDerWaalsContact O-N 3.16Å; Q184-V188 WeakPolarHBondContact O-CG2 3.48Å; Q184-V188 PolarHBondContact O-N 3.3Å
185	Y	34.5	Very low	40	Very low	48 Å²	48	104.3 Å²	104.3	19%	0.188	49%	0.485	C	S	.	.	H	α-helix	trans	-61.8	-45.4	177.8	-178.9	-93.6	0	0	0	111.8	F163 H164 N181 L182 R187 V188 L189	F163-Y185 AromaticContact CD1-CE2 3.89Å; F163-Y185 HydrophobicContact CD1-CE2 3.89Å; F163-Y185 HydrophobicContact CE1-CE2 4.43Å; H164-Y185 PolarHBondContact CE1-OH 3.36Å; H164-Y185 PolarHBondContact ND1-OH 2.81Å; N181-Y185 WeakPolarHBondContact O-CA 3.5Å; N181-Y185 WeakPolarHBondContact O-CB 3.44Å; N181-Y185 PolarHBondContact O-N 2.98Å; L182-Y185 WeakPolarHBondContact O-CB 3.25Å; L182-Y185 PolarHBondContact O-N 3.38Å; Y185-R187 VanDerWaalsContact C-N 3.28Å; Y185-R187 PolarHBondContact O-N 3.45Å; Y185-V188 PolarHBondContact O-N 2.73Å; Y185-L189 HydrophobicContact CD1-CD1 3.78Å; Y185-L189 HydrophobicContact CE1-CD1 3.3Å; Y185-L189 HydrophobicContact CE1-CG 4.47Å; Y185-L189 PolarHBondContact O-N 3.27Å
186	W	42.8	Very low	39.5	Very low	116 Å²	116	108.5 Å²	108.5	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-23.1	174.1	-77.2	114.2	0	0	0	114.3	L13 L182	L13-W186 HydrophobicContact CD1-CE3 4.43Å; L13-W186 HydrophobicContact CD1-CZ3 4.04Å; L182-W186 PolarHBondContact O-N 3Å
187	R	37.5	Very low	39.2	Very low	227 Å²	227	98.5 Å²	98.5	86%	0.857	47%	0.466	S	S	*	.	H	α-helix	trans	-80.3	-23.6	174.9	-84.1	-176.3	176.6	-175.3	-0.6	113.6	N183 Q184 Y185	N183-R187 PolarHBondContact O-N 3.32Å; Q184-R187 PolarHBondContact O-N 3.28Å; Q184-R187 VanDerWaalsContact O-N 3.16Å; Y185-R187 VanDerWaalsContact C-N 3.28Å; Y185-R187 PolarHBondContact O-N 3.45Å
188	V	32.7	Very low	38.5	Very low	128 Å²	128	97.9 Å²	97.9	78%	0.776	46%	0.458	S	S	*	.	H	α-helix	trans	-88.8	-27.2	-179.3	173.7	0	0	0	0	111.5	Q184 Y185	Q184-V188 WeakPolarHBondContact O-CG2 3.48Å; Q184-V188 PolarHBondContact O-N 3.3Å; Y185-V188 PolarHBondContact O-N 2.73Å
189	L	31.5	Very low	38.5	Very low	133 Å²	133	105.9 Å²	105.9	70%	0.696	49%	0.492	S	S	*	.			trans	-77.2	0	170.7	-78.1	169.7	0	0	0	112.5	Y185	Y185-L189 HydrophobicContact CD1-CD1 3.78Å; Y185-L189 HydrophobicContact CE1-CD1 3.3Å; Y185-L189 HydrophobicContact CE1-CG 4.47Å; Y185-L189 PolarHBondContact O-N 3.27Å

Retrieved 189 of 189 residues in 133.7 ms (Link to these results)

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