A0A077ZI50_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZI50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 aa.

Structure Viewer

Loading PAE data...

(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	24.2	Very low	23.4	Very low	99 Å²	99	116.7 Å²	116.7	49%	0.488	60%	0.598	S	S	.	*				0	121	0	-114.1	161.9	-118.2	0	0	99.4	D3 D28 E29 L30	M1-D3 PolarHBondContact O-N 3.34Å; M1-D28 WeakPolarHBondContact CE-O 3.08Å; M1-E29 WeakPolarHBondContact CE-O 3.44Å; M1-L30 VanDerWaalsContact CA-CB 3.49Å; M1-L30 HydrophobicContact CB-CB 3.51Å; M1-L30 HydrophobicContact CB-CD2 4.3Å; M1-L30 HydrophobicContact CB-CG 4.26Å; M1-L30 HydrophobicContact CE-CB 3.5Å; M1-L30 VanDerWaalsContact CE-CB 3.5Å; M1-L30 HydrophobicContact CE-CD1 3.77Å; M1-L30 HydrophobicContact CE-CG 4.26Å; M1-L30 HydrophobicContact CG-CB 3.37Å; M1-L30 HydrophobicContact CG-CD1 3.72Å; M1-L30 HydrophobicContact CG-CD2 4.25Å; M1-L30 HydrophobicContact CG-CG 3.92Å; M1-L30 PolarHBondContact N-O 3.35Å; M1-L30 HydrophobicContact SD-CB 4.04Å
2	S	23.5	Very low	23.5	Very low	88 Å²	88	119.5 Å²	119.5	62%	0.615	62%	0.615	S	S	*	*			trans	-54.2	117.1	171.2	46.9	0	0	0	0	105.5	V4	S2-V4 WeakPolarHBondContact O-CG2 3.28Å; S2-V4 PolarHBondContact O-N 2.88Å; S2-V4 WeakPolarHBondContact OG-CG2 3.27Å
3	D	23.2	Very low	23.5	Very low	160 Å²	160	122.7 Å²	122.7	86%	0.856	63%	0.625	S	S	*	*			trans	-76.6	64.8	168	-86.5	-31	0	0	0	107.2	M1 C5	M1-D3 PolarHBondContact O-N 3.34Å; D3-C5 PolarHBondContact O-N 3.29Å
4	V	23.8	Very low	23.6	Very low	83 Å²	83	127.3 Å²	127.3	50%	0.503	64%	0.639	S	S	.	*			trans	-26.4	118.6	161.7	167.7	0	0	0	0	108.6	S2 R6	S2-V4 WeakPolarHBondContact O-CG2 3.28Å; S2-V4 PolarHBondContact O-N 2.88Å; S2-V4 WeakPolarHBondContact OG-CG2 3.27Å; V4-R6 WeakPolarHBondContact O-CG 3.38Å; V4-R6 PolarHBondContact O-N 3.21Å
5	C	23.6	Very low	23.5	Very low	59 Å²	59	125.1 Å²	125.1	40%	0.399	65%	0.649	S	S	.	*			trans	-45.9	99.1	165.8	-84.7	0	0	0	0	110.2	D3 R7 F41	D3-C5 PolarHBondContact O-N 3.29Å; C5-R7 PolarHBondContact O-N 2.9Å; C5-R7 VanDerWaalsContact O-N 3.13Å; C5-F41 HydrophobicContact CB-CE1 3.7Å; C5-F41 HydrophobicContact CB-CZ 4.25Å; C5-F41 WeakPolarHBondContact SG-CE1 3.15Å; C5-F41 WeakPolarHBondContact SG-CZ 3.45Å
6	R	22.7	Very low	23.7	Very low	219 Å²	219	126 Å²	126	83%	0.826	65%	0.654	S	S	*	*			trans	-79.4	96.6	174.6	-73.7	-176.9	178.3	-178	1.7	108.9	V4	V4-R6 WeakPolarHBondContact O-CG 3.38Å; V4-R6 PolarHBondContact O-N 3.21Å
7	R	23.5	Very low	23.8	Very low	215 Å²	215	128.6 Å²	128.6	81%	0.811	66%	0.663	S	S	*	*			trans	52.8	114.8	133.4	-165.1	-178.5	-172	-179	1.7	118.4	C5	C5-R7 PolarHBondContact O-N 2.9Å; C5-R7 VanDerWaalsContact O-N 3.13Å
8	L	24	Very low	24	Very low	24 Å²	24	127.7 Å²	127.7	13%	0.126	67%	0.67	C	S	.	*			trans	-143	114.3	155.6	-92	175.8	0	0	0	114.5	F10 D200 I203	L8-F10 HydrophobicContact CD2-CD2 4.19Å; L8-F10 HydrophobicContact CD2-CE2 3.62Å; L8-D200 VanDerWaalsContact CD1-CA 3.41Å; L8-D200 HydrophobicContact CD1-CB 3.58Å; L8-D200 WeakPolarHBondContact CD1-OD1 3.35Å; L8-D200 HydrophobicContact CD2-CB 3.89Å; L8-D200 VanDerWaalsContact CD2-CG 3.48Å; L8-D200 HydrophobicContact CG-CB 4.16Å; L8-D200 VanDerWaalsContact CG-OD1 3.23Å; L8-D200 WeakPolarHBondContact CG-OD1 3.49Å; L8-I203 HydrophobicContact CD1-CB 4.22Å; L8-I203 HydrophobicContact CD1-CD1 4.15Å; L8-I203 HydrophobicContact CD1-CG2 4.26Å
9	V	22.8	Very low	24	Very low	81 Å²	81	127.5 Å²	127.5	49%	0.491	68%	0.68	S	S	.	*			trans	-124.1	131.2	172.6	172.7	0	0	0	0	106.6	F46	V9-F46 WeakPolarHBondContact CG1-O 3.48Å
10	F	23.3	Very low	24.1	Very low	169 Å²	169	127.6 Å²	127.6	74%	0.741	69%	0.685	S	S	*	*			trans	-139.8	119.8	156.5	-75	-74.4	0	0	0	109.1	L8	L8-F10 HydrophobicContact CD2-CD2 4.19Å; L8-F10 HydrophobicContact CD2-CE2 3.62Å
11	A	23.1	Very low	24	Very low	87 Å²	87	126.9 Å²	126.9	72%	0.719	69%	0.69	S	S	*	*			trans	-85	133.4	166.7	0	0	0	0	0	109	H13	A11-H13 PolarHBondContact O-N 3.28Å
12	D	24.7	Very low	24.1	Very low	150 Å²	150	127.8 Å²	127.8	80%	0.802	70%	0.703	S	S	*	*	S	Bend	trans	-60.6	103.1	158.6	-88.9	-33.9	0	0	0	107.2
13	H	23.7	Very low	24	Very low	161 Å²	161	132 Å²	132	75%	0.745	71%	0.713	S	S	*	*			trans	169.6	119.2	143.8	-82.6	-32.8	0	0	0	113.6	A11	A11-H13 PolarHBondContact O-N 3.28Å
14	F	24	Very low	24	Very low	187 Å²	187	136.9 Å²	136.9	82%	0.82	72%	0.72	S	S	*	*			trans	48	120.6	136.8	-63.7	-82.2	0	0	0	122.5
15	A	22.9	Very low	23.9	Very low	95 Å²	95	139.9 Å²	139.9	79%	0.785	73%	0.732	S	S	*	*				77.3	143.8	129.7	0	0	0	0	0	120.8
16	D	25.8	Very low	23.8	Very low	139 Å²	139	142.2 Å²	142.2	74%	0.743	75%	0.748	S	S	*	*			trans	81.6	101.4	168.9	-80.7	-10.5	0	0	0	120.9
17	E	26.6	Very low	23.7	Very low	170 Å²	170	141.2 Å²	141.2	79%	0.794	75%	0.746	S	S	*	*				47.9	96.9	112.5	-61.9	-169.3	177	0	0	117.8
18	S	26.9	Very low	23.6	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	74%	0.739	S	S	*	*				159.6	151.9	110.7	53.8	0	0	0	0	112.6
19	S	24.6	Very low	23.4	Very low	124 Å²	124	144.3 Å²	144.3	87%	0.867	77%	0.773	S	S	*	*			trans	-79.2	119.2	-172.5	38.3	0	0	0	0	112.5
20	V	25.2	Very low	23.4	Very low	129 Å²	129	145.2 Å²	145.2	78%	0.782	78%	0.775	S	S	*	*			trans	-121.6	109.6	166.7	-160.9	0	0	0	0	108.7
21	S	22.6	Very low	23.3	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	78%	0.782	S	S	*	*			trans	-77.6	131	175.4	-177.6	0	0	0	0	110
22	P	25.5	Very low	23.2	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	77%	0.769	S	S	*	*			trans	-108.6	131.9	169.7	6	15.8	0	0	0	112.3
23	Q	22.1	Very low	23	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	77%	0.768	S	S	*	*			trans	-67.9	153.9	176.4	-65.1	165.6	-22	0	0	111.9
24	W	22.2	Very low	23.1	Very low	261 Å²	261	142 Å²	142	99%	0.989	76%	0.762	S	S	*	*			trans	-62.5	130.2	172.3	-70	62.4	0	0	0	110.7
25	I	21.8	Very low	23	Very low	147 Å²	147	141.9 Å²	141.9	75%	0.754	77%	0.765	S	S	*	*			trans	-123.7	109.6	164.8	-55	177.4	0	0	0	106.6	Y27	I25-Y27 HydrophobicContact CG2-CD2 3.84Å; I25-Y27 HydrophobicContact CG2-CE2 4.12Å
26	S	20.8	Very low	23.2	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	75%	0.751	S	S	*	*			trans	-87.1	136.3	165.2	68.6	0	0	0	0	109.2
27	Y	21.4	Very low	23.4	Very low	198 Å²	198	135.6 Å²	135.6	78%	0.776	73%	0.726	S	S	*	*			trans	-143.1	155.7	156.8	-93.4	-74.5	0	0	0	110.7	I25	I25-Y27 HydrophobicContact CG2-CD2 3.84Å; I25-Y27 HydrophobicContact CG2-CE2 4.12Å
28	D	21.5	Very low	23.9	Very low	123 Å²	123	127.8 Å²	127.8	66%	0.658	69%	0.689	S	S	*	*			trans	-71	170	-156.1	-61.5	-65.3	0	0	0	116	M1	M1-D28 WeakPolarHBondContact CE-O 3.08Å
29	E	20.8	Very low	24.5	Very low	181 Å²	181	125.1 Å²	125.1	85%	0.846	67%	0.666	S	S	*	*			trans	-30.9	131.6	169.2	-58.6	173.5	151.3	0	0	114.9	M1	M1-E29 WeakPolarHBondContact CE-O 3.44Å
30	L	21.5	Very low	25.2	Very low	101 Å²	101	119.2 Å²	119.2	53%	0.529	63%	0.625	S	S	.	*			trans	-144.6	129.1	146.2	-163.6	150.6	0	0	0	107.2	M1 V32	M1-L30 VanDerWaalsContact CA-CB 3.49Å; M1-L30 HydrophobicContact CB-CB 3.51Å; M1-L30 HydrophobicContact CB-CD2 4.3Å; M1-L30 HydrophobicContact CB-CG 4.26Å; M1-L30 HydrophobicContact CE-CB 3.5Å; M1-L30 VanDerWaalsContact CE-CB 3.5Å; M1-L30 HydrophobicContact CE-CD1 3.77Å; M1-L30 HydrophobicContact CE-CG 4.26Å; M1-L30 HydrophobicContact CG-CB 3.37Å; M1-L30 HydrophobicContact CG-CD1 3.72Å; M1-L30 HydrophobicContact CG-CD2 4.25Å; M1-L30 HydrophobicContact CG-CG 3.92Å; M1-L30 PolarHBondContact N-O 3.35Å; M1-L30 HydrophobicContact SD-CB 4.04Å; L30-V32 HydrophobicContact CD2-CG2 3.4Å; L30-V32 VanDerWaalsContact CD2-CG2 3.4Å
31	L	20.6	Very low	25.9	Very low	170 Å²	170	114 Å²	114	89%	0.89	59%	0.592	S	S	*	*			trans	-90	130.8	171	-70.3	152.1	0	0	0	106.5
32	V	22.3	Very low	26.5	Very low	73 Å²	73	109.6 Å²	109.6	44%	0.442	56%	0.56	S	S	.	*			trans	-129.5	120.4	162.3	-159.4	0	0	0	0	108.5	L30 F34	L30-V32 HydrophobicContact CD2-CG2 3.4Å; L30-V32 VanDerWaalsContact CD2-CG2 3.4Å; V32-F34 HydrophobicContact CB-CD2 4.1Å; V32-F34 HydrophobicContact CB-CE2 4.14Å; V32-F34 HydrophobicContact CG1-CD2 3.44Å; V32-F34 VanDerWaalsContact CG1-CD2 3.44Å; V32-F34 HydrophobicContact CG1-CE2 3.15Å; V32-F34 HydrophobicContact CG1-CZ 4.05Å
33	S	20.1	Very low	27	Very low	113 Å²	113	105.9 Å²	105.9	79%	0.79	53%	0.532	S	S	*	.			trans	-78.5	121.3	172	62.3	0	0	0	0	109.2
34	F	25.2	Very low	27.6	Very low	142 Å²	142	99.3 Å²	99.3	62%	0.623	50%	0.503	S	S	*	.			trans	-137.8	85.2	169.1	-82.3	-70.9	0	0	0	110.4	V32 S36	V32-F34 HydrophobicContact CB-CD2 4.1Å; V32-F34 HydrophobicContact CB-CE2 4.14Å; V32-F34 HydrophobicContact CG1-CD2 3.44Å; V32-F34 VanDerWaalsContact CG1-CD2 3.44Å; V32-F34 HydrophobicContact CG1-CE2 3.15Å; V32-F34 HydrophobicContact CG1-CZ 4.05Å; F34-S36 PolarHBondContact O-N 3.19Å
35	E	23.5	Very low	27.8	Very low	186 Å²	186	92.1 Å²	92.1	87%	0.869	49%	0.489	S	S	*	.	S	Bend	trans	-71.1	115.8	149.4	-64.1	177.8	170.2	0	0	106.1
36	S	27	Very low	28.2	Very low	70 Å²	70	92.9 Å²	92.9	49%	0.49	49%	0.487	S	S	.	.	S	Bend	trans	116.2	28	155.4	-39.8	0	0	0	0	121.7	F34 L55 V57	F34-S36 PolarHBondContact O-N 3.19Å; S36-L55 WeakPolarHBondContact O-CD2 3.3Å; S36-V57 WeakPolarHBondContact O-CG2 3.35Å
37	S	29.1	Very low	28.7	Very low	32 Å²	32	88.1 Å²	88.1	22%	0.224	46%	0.456	C	S	.	.			trans	-129.6	153.2	177.3	14	0	0	0	0	117.6	E53 V57	S37-E53 WeakPolarHBondContact CB-OE1 2.94Å; S37-E53 PolarHBondContact OG-OE1 3.25Å; S37-V57 VanDerWaalsContact N-CG2 3.27Å
38	F	38	Very low	29.4	Very low	6 Å²	6	81.9 Å²	81.9	3%	0.026	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.4	172	-168.1	-77.9	0	0	0	109.4	E53 I54 C60 Y153 R155	F38-E53 CarbonylContact O-C 3.5Å; F38-E53 WeakPolarHBondContact O-CA 3.43Å; F38-I54 PolarHBondContact N-O 3.41Å; F38-I54 PolarHBondContact O-N 3.35Å; F38-C60 HydrophobicContact CD2-CB 3.64Å; F38-C60 WeakPolarHBondContact CD2-SG 3.19Å; F38-C60 HydrophobicContact CE2-CB 3.75Å; F38-Y153 VanDerWaalsContact CE1-CB 3.48Å; F38-Y153 AromaticContact CE1-CD1 3.91Å; F38-Y153 HydrophobicContact CE1-CD1 3.91Å; F38-Y153 HydrophobicContact CE1-CG 4.18Å; F38-Y153 VanDerWaalsContact CZ-CB 3.47Å; F38-R155 HydrophobicContact CD2-CB 3.64Å; F38-R155 HydrophobicContact CD2-CG 4.12Å; F38-R155 HydrophobicContact CE2-CB 3.45Å; F38-R155 VanDerWaalsContact CE2-CB 3.45Å; F38-R155 HydrophobicContact CE2-CG 4.4Å; F38-R155 HydrophobicContact CZ-CB 4.33Å
39	N	39.1	Very low	30.1	Very low	56 Å²	56	80 Å²	80	30%	0.299	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.6	176.7	-66.4	-15.6	0	0	0	111.2	F41 E51	N39-F41 HydrophobicContact CB-CE1 4.43Å; N39-F41 HydrophobicContact CB-CE2 3.86Å; N39-F41 HydrophobicContact CB-CZ 3.66Å; N39-E51 PolarHBondContact ND2-OE1 3.16Å
40	I	38.4	Very low	31	Very low	1 Å²	1	76.3 Å²	76.3	1%	0.005	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.9	169.1	-54	171.3	0	0	0	108.7	E51 Q52 I54 I79 Y153	I40-E51 VanDerWaalsContact O-CA 3.32Å; I40-E51 WeakPolarHBondContact O-CA 3.27Å; I40-Q52 HydrophobicContact CB-CB 4.34Å; I40-Q52 HydrophobicContact CD1-CB 3.83Å; I40-Q52 HydrophobicContact CG1-CB 4.4Å; I40-Q52 WeakPolarHBondContact CG1-O 3.38Å; I40-Q52 PolarHBondContact N-O 2.81Å; I40-Q52 PolarHBondContact O-N 3.36Å; I40-I54 HydrophobicContact CD1-CD1 3.23Å; I40-I54 HydrophobicContact CD1-CG1 3.38Å; I40-I54 HydrophobicContact CG1-CD1 3.18Å; I40-I54 HydrophobicContact CG1-CG1 3.5Å; I40-I79 HydrophobicContact CD1-CB 4.07Å; I40-I79 HydrophobicContact CD1-CD1 3.54Å; I40-I79 HydrophobicContact CD1-CG1 4.29Å; I40-I79 HydrophobicContact CD1-CG2 3.33Å; I40-Y153 HydrophobicContact CB-CD1 4.37Å; I40-Y153 HydrophobicContact CB-CE1 4.11Å; I40-Y153 HydrophobicContact CD1-CE1 4.44Å; I40-Y153 HydrophobicContact CG1-CD1 4.14Å; I40-Y153 HydrophobicContact CG1-CE1 3.86Å; I40-Y153 HydrophobicContact CG2-CD1 4.08Å; I40-Y153 HydrophobicContact CG2-CE1 3.48Å; I40-Y153 VanDerWaalsContact CG2-CE1 3.48Å
41	F	40.6	Very low	32.1	Very low	19 Å²	19	75.4 Å²	75.4	8%	0.083	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114	165.7	-55.5	-75.6	0	0	0	109	C5 N39 F43 L48 E51	C5-F41 HydrophobicContact CB-CE1 3.7Å; C5-F41 HydrophobicContact CB-CZ 4.25Å; C5-F41 WeakPolarHBondContact SG-CE1 3.15Å; C5-F41 WeakPolarHBondContact SG-CZ 3.45Å; N39-F41 HydrophobicContact CB-CE1 4.43Å; N39-F41 HydrophobicContact CB-CE2 3.86Å; N39-F41 HydrophobicContact CB-CZ 3.66Å; F41-F43 HydrophobicContact CB-CD2 4.29Å; F41-F43 HydrophobicContact CB-CE1 4.45Å; F41-F43 HydrophobicContact CB-CE2 3.44Å; F41-F43 VanDerWaalsContact CB-CE2 3.44Å; F41-F43 HydrophobicContact CB-CZ 3.55Å; F41-F43 HydrophobicContact CG-CZ 4.34Å; F41-L48 HydrophobicContact CB-CD1 3.85Å; F41-L48 HydrophobicContact CD1-CD1 3.87Å; F41-L48 HydrophobicContact CG-CD1 4.37Å; F41-E51 HydrophobicContact CD1-CG 4.38Å; F41-E51 HydrophobicContact CE1-CG 3.97Å
42	T	34.9	Very low	33.1	Very low	20 Å²	20	70.6 Å²	70.6	12%	0.123	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.2	171.5	-66.2	0	0	0	0	109.4	L48 V49 E50 H151	T42-L48 CarbonylContact O-C 3.6Å; T42-L48 WeakPolarHBondContact O-CA 3.33Å; T42-V49 HydrophobicContact CG2-CB 4.21Å; T42-V49 HydrophobicContact CG2-CG2 3.97Å; T42-V49 PolarHBondContact O-N 3.13Å; T42-E50 PolarHBondContact N-O 3.5Å; T42-E50 VanDerWaalsContact N-O 3.16Å; T42-H151 PolarHBondContact OG1-ND1 3.44Å
43	F	36.4	Very low	34.1	Very low	39 Å²	39	72.1 Å²	72.1	17%	0.171	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.2	177.9	-59.1	-79.4	0	0	0	110.7	F41 G47 L48 I152	F41-F43 HydrophobicContact CB-CD2 4.29Å; F41-F43 HydrophobicContact CB-CE1 4.45Å; F41-F43 HydrophobicContact CB-CE2 3.44Å; F41-F43 VanDerWaalsContact CB-CE2 3.44Å; F41-F43 HydrophobicContact CB-CZ 3.55Å; F41-F43 HydrophobicContact CG-CZ 4.34Å; F43-G47 WeakPolarHBondContact CA-O 3.16Å; F43-L48 HydrophobicContact CE1-CB 4.43Å; F43-L48 HydrophobicContact CE1-CD1 4.33Å; F43-I152 HydrophobicContact CE2-CB 4.28Å
44	D	34.9	Very low	35.1	Very low	41 Å²	41	67.7 Å²	67.7	22%	0.219	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	175.4	162.3	75.1	5.7	0	0	0	109.6	F46 G47 V49 Q149	D44-F46 PolarHBondContact O-N 3.32Å; D44-F46 VanDerWaalsContact OD1-C 3.23Å; D44-F46 WeakPolarHBondContact OD1-CA 3.46Å; D44-F46 VanDerWaalsContact OD1-CB 3.24Å; D44-F46 WeakPolarHBondContact OD1-CB 3.23Å; D44-F46 PolarHBondContact OD1-N 2.92Å; D44-G47 PolarHBondContact N-O 3.27Å; D44-G47 PolarHBondContact O-N 3.03Å; D44-G47 PolarHBondContact OD1-N 3.41Å; D44-V49 HydrophobicContact CB-CG2 3.58Å; D44-V49 VanDerWaalsContact CG-CG2 3.49Å; D44-Q149 VanDerWaalsContact CB-NE2 3.27Å
45	P	26.6	Very low	36.1	Very low	109 Å²	109	66.7 Å²	66.7	71%	0.708	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.7	174.2	-24.2	35.2	0	0	0	114.8
46	F	30.3	Very low	37.2	Very low	163 Å²	163	61 Å²	61	72%	0.715	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-14.7	-177.7	-52.9	-75.1	0	0	0	113.8	V9 D44	V9-F46 WeakPolarHBondContact CG1-O 3.48Å; D44-F46 PolarHBondContact O-N 3.32Å; D44-F46 VanDerWaalsContact OD1-C 3.23Å; D44-F46 WeakPolarHBondContact OD1-CA 3.46Å; D44-F46 VanDerWaalsContact OD1-CB 3.24Å; D44-F46 WeakPolarHBondContact OD1-CB 3.23Å; D44-F46 PolarHBondContact OD1-N 2.92Å
47	G	30.9	Very low	37.7	Very low	8 Å²	8	58.9 Å²	58.9	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-162.3	177.7	0	0	0	0	0	114.7	F43 D44 V49	F43-G47 WeakPolarHBondContact CA-O 3.16Å; D44-G47 PolarHBondContact N-O 3.27Å; D44-G47 PolarHBondContact O-N 3.03Å; D44-G47 PolarHBondContact OD1-N 3.41Å; G47-V49 PolarHBondContact O-N 2.98Å
48	L	35.9	Very low	38.1	Very low	66 Å²	66	62.5 Å²	62.5	35%	0.346	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123.5	171.2	179.1	72	0	0	0	109	F41 T42 F43 E50	F41-L48 HydrophobicContact CB-CD1 3.85Å; F41-L48 HydrophobicContact CD1-CD1 3.87Å; F41-L48 HydrophobicContact CG-CD1 4.37Å; T42-L48 CarbonylContact O-C 3.6Å; T42-L48 WeakPolarHBondContact O-CA 3.33Å; F43-L48 HydrophobicContact CE1-CB 4.43Å; F43-L48 HydrophobicContact CE1-CD1 4.33Å; L48-E50 WeakPolarHBondContact CD1-O 3.17Å
49	V	36.2	Very low	38.5	Very low	84 Å²	84	63 Å²	63	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-31.7	-178.5	-143.9	0	0	0	0	111.4	T42 D44 G47	T42-V49 HydrophobicContact CG2-CB 4.21Å; T42-V49 HydrophobicContact CG2-CG2 3.97Å; T42-V49 PolarHBondContact O-N 3.13Å; D44-V49 HydrophobicContact CB-CG2 3.58Å; D44-V49 VanDerWaalsContact CG-CG2 3.49Å; G47-V49 PolarHBondContact O-N 2.98Å
50	E	40.2	Very low	38.7	Very low	104 Å²	104	60.7 Å²	60.7	49%	0.486	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	140.7	-178.8	-157	171	175.1	0	0	111.4	T42 L48 Q52	T42-E50 PolarHBondContact N-O 3.5Å; T42-E50 VanDerWaalsContact N-O 3.16Å; L48-E50 WeakPolarHBondContact CD1-O 3.17Å; E50-Q52 VanDerWaalsContact CD-NE2 3.28Å; E50-Q52 HydrophobicContact CG-CG 4.05Å; E50-Q52 PolarHBondContact OE1-NE2 2.8Å
51	E	44.1	Very low	38.9	Very low	81 Å²	81	63 Å²	63	38%	0.379	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.9	166.9	-177.2	176.9	-173.6	0	0	108	N39 I40 F41	N39-E51 PolarHBondContact ND2-OE1 3.16Å; I40-E51 VanDerWaalsContact O-CA 3.32Å; I40-E51 WeakPolarHBondContact O-CA 3.27Å; F41-E51 HydrophobicContact CD1-CG 4.38Å; F41-E51 HydrophobicContact CE1-CG 3.97Å
52	Q	40.7	Very low	39.3	Very low	69 Å²	69	66.2 Å²	66.2	32%	0.322	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.3	176.2	-68.1	-172	-1.3	0	0	110.4	I40 E50	I40-Q52 HydrophobicContact CB-CB 4.34Å; I40-Q52 HydrophobicContact CD1-CB 3.83Å; I40-Q52 HydrophobicContact CG1-CB 4.4Å; I40-Q52 WeakPolarHBondContact CG1-O 3.38Å; I40-Q52 PolarHBondContact N-O 2.81Å; I40-Q52 PolarHBondContact O-N 3.36Å; E50-Q52 VanDerWaalsContact CD-NE2 3.28Å; E50-Q52 HydrophobicContact CG-CG 4.05Å; E50-Q52 PolarHBondContact OE1-NE2 2.8Å
53	E	44.2	Very low	39.9	Very low	105 Å²	105	65.3 Å²	65.3	49%	0.491	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.8	171.8	-169.7	178.9	-175.3	0	0	109.4	S37 F38	S37-E53 WeakPolarHBondContact CB-OE1 2.94Å; S37-E53 PolarHBondContact OG-OE1 3.25Å; F38-E53 CarbonylContact O-C 3.5Å; F38-E53 WeakPolarHBondContact O-CA 3.43Å
54	I	41.7	Very low	40.4	Very low	20 Å²	20	65.1 Å²	65.1	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.3	173.1	-45.2	165.3	0	0	0	110.3	F38 I40 I75 I79	F38-I54 PolarHBondContact N-O 3.41Å; F38-I54 PolarHBondContact O-N 3.35Å; I40-I54 HydrophobicContact CD1-CD1 3.23Å; I40-I54 HydrophobicContact CD1-CG1 3.38Å; I40-I54 HydrophobicContact CG1-CD1 3.18Å; I40-I54 HydrophobicContact CG1-CG1 3.5Å; I54-I75 HydrophobicContact CD1-CG2 3.69Å; I54-I75 HydrophobicContact CG1-CG2 4.47Å; I54-I75 HydrophobicContact CG2-CG2 3.52Å; I54-I79 HydrophobicContact CD1-CD1 3.29Å; I54-I79 HydrophobicContact CG1-CD1 3.48Å; I54-I79 VanDerWaalsContact CG1-CD1 3.48Å; I54-I79 HydrophobicContact CG2-CD1 4.27Å
55	L	45	Very low	41.2	Very low	122 Å²	122	66 Å²	66	64%	0.639	34%	0.338	S	S	*	.	S	Bend	trans	-100.6	125.6	164.4	-67.7	142.7	0	0	0	107.4	S36	S36-L55 WeakPolarHBondContact O-CD2 3.3Å
56	P	46.6	Very low	42.7	Very low	65 Å²	65	65.5 Å²	65.5	42%	0.422	32%	0.322	S	S	.	.			cis	-134.4	133.8	34.6	31.9	-10.4	0	0	0	116.4	M58 T59	P56-M58 VanDerWaalsContact C-N 3.29Å; P56-M58 PolarHBondContact O-N 3.24Å; P56-M58 VanDerWaalsContact O-N 3.1Å; P56-T59 PolarHBondContact O-N 2.96Å
57	V	37.2	Very low	44.1	Very low	26 Å²	26	63.1 Å²	63.1	16%	0.158	32%	0.316	C	S	.	.	H	α-helix	trans	-47.1	-36.9	-179.5	167	0	0	0	0	115.8	S36 S37 T59 C60 F61	S36-V57 WeakPolarHBondContact O-CG2 3.35Å; S37-V57 VanDerWaalsContact N-CG2 3.27Å; V57-T59 VanDerWaalsContact C-N 3.25Å; V57-T59 PolarHBondContact O-N 3.11Å; V57-C60 PolarHBondContact O-N 3.18Å; V57-F61 HydrophobicContact CG1-CD2 3.26Å; V57-F61 HydrophobicContact CG1-CE2 3.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.25Å; V57-F61 PolarHBondContact O-N 3.46Å
58	M	38.2	Very low	45.3	Very low	108 Å²	108	65.5 Å²	65.5	53%	0.532	33%	0.325	S	S	.	.	H	α-helix	trans	-56.7	-40	-178.6	-75.5	-68.6	-69.5	0	0	112.4	P56 C60 F61 Y62	P56-M58 VanDerWaalsContact C-N 3.29Å; P56-M58 PolarHBondContact O-N 3.24Å; P56-M58 VanDerWaalsContact O-N 3.1Å; M58-C60 VanDerWaalsContact C-N 3.28Å; M58-C60 PolarHBondContact O-N 2.93Å; M58-F61 WeakPolarHBondContact O-CB 3.21Å; M58-F61 PolarHBondContact O-N 3.41Å; M58-Y62 HydrophobicContact CE-CD2 3.87Å; M58-Y62 HydrophobicContact CE-CE2 3.32Å; M58-Y62 VanDerWaalsContact O-CD2 3.24Å; M58-Y62 WeakPolarHBondContact O-CD2 3.48Å; M58-Y62 PolarHBondContact O-N 2.77Å; M58-Y62 HydrophobicContact SD-CD2 4.41Å; M58-Y62 HydrophobicContact SD-CE2 3.82Å
59	T	46.4	Very low	46.5	Very low	18 Å²	18	62.3 Å²	62.3	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-35.1	-176.4	-51.3	0	0	0	0	111.9	P56 V57 A63 H68 A71 L72	P56-T59 PolarHBondContact O-N 2.96Å; V57-T59 VanDerWaalsContact C-N 3.25Å; V57-T59 PolarHBondContact O-N 3.11Å; T59-A63 PolarHBondContact O-N 2.89Å; T59-H68 HydrophobicContact CG2-CB 4.33Å; T59-H68 WeakPolarHBondContact CG2-O 3.36Å; T59-A71 HydrophobicContact CG2-CB 3.52Å; T59-L72 HydrophobicContact CG2-CB 3.97Å; T59-L72 VanDerWaalsContact CG2-N 3.3Å
60	C	42.6	Very low	47.9	Very low	6 Å²	6	62 Å²	62	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-75.6	-39.5	174.9	-52	0	0	0	0	111.7	F38 V57 M58 Y62 A63 L72	F38-C60 HydrophobicContact CD2-CB 3.64Å; F38-C60 WeakPolarHBondContact CD2-SG 3.19Å; F38-C60 HydrophobicContact CE2-CB 3.75Å; V57-C60 PolarHBondContact O-N 3.18Å; M58-C60 VanDerWaalsContact C-N 3.28Å; M58-C60 PolarHBondContact O-N 2.93Å; C60-Y62 PolarHBondContact O-N 3Å; C60-A63 WeakPolarHBondContact O-CB 3.24Å; C60-A63 PolarHBondContact O-N 3.19Å; C60-L72 WeakPolarHBondContact SG-CD1 3.37Å
61	F	42.9	Very low	48.9	Very low	50 Å²	50	58.7 Å²	58.7	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-37.2	175.5	-99.9	-90.2	0	0	0	113.2	V57 M58 F64 M137	V57-F61 HydrophobicContact CG1-CD2 3.26Å; V57-F61 HydrophobicContact CG1-CE2 3.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.25Å; V57-F61 PolarHBondContact O-N 3.46Å; M58-F61 WeakPolarHBondContact O-CB 3.21Å; M58-F61 PolarHBondContact O-N 3.41Å; F61-F64 WeakPolarHBondContact O-CE1 3.21Å; F61-F64 WeakPolarHBondContact O-CZ 3.36Å; F61-M137 HydrophobicContact CB-CE 4.19Å; F61-M137 HydrophobicContact CD1-CE 3.4Å; F61-M137 HydrophobicContact CD1-SD 3.77Å; F61-M137 HydrophobicContact CD2-CE 4.08Å; F61-M137 HydrophobicContact CE1-CB 4.12Å; F61-M137 HydrophobicContact CE1-CE 3.73Å; F61-M137 HydrophobicContact CE1-SD 4.07Å; F61-M137 HydrophobicContact CE2-CE 4.4Å; F61-M137 HydrophobicContact CG-CE 3.63Å; F61-M137 HydrophobicContact CG-SD 4.5Å; F61-M137 HydrophobicContact CZ-CE 4.26Å
62	Y	49.2	Very low	49.9	Very low	86 Å²	86	55 Å²	55	34%	0.337	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	27.3	-178.3	-62.4	-83.1	0	0	0	111.9	M58 C60 F64 N65 H68	M58-Y62 HydrophobicContact CE-CD2 3.87Å; M58-Y62 HydrophobicContact CE-CE2 3.32Å; M58-Y62 VanDerWaalsContact O-CD2 3.24Å; M58-Y62 WeakPolarHBondContact O-CD2 3.48Å; M58-Y62 PolarHBondContact O-N 2.77Å; M58-Y62 HydrophobicContact SD-CD2 4.41Å; M58-Y62 HydrophobicContact SD-CE2 3.82Å; C60-Y62 PolarHBondContact O-N 3Å; Y62-F64 VanDerWaalsContact CA-CZ 3.5Å; Y62-F64 AromaticContact CD1-CE2 3.59Å; Y62-F64 HydrophobicContact CD1-CE2 3.59Å; Y62-F64 AromaticContact CD1-CZ 3.34Å; Y62-F64 HydrophobicContact CD1-CZ 3.34Å; Y62-F64 HydrophobicContact CE1-CZ 4.09Å; Y62-F64 HydrophobicContact CG-CE2 4.29Å; Y62-F64 AromaticContact CG-CZ 4Å; Y62-F64 HydrophobicContact CG-CZ 4Å; Y62-F64 PolarHBondContact O-N 3.19Å; Y62-N65 WeakPolarHBondContact O-CA 3.19Å; Y62-N65 WeakPolarHBondContact O-CB 3.43Å; Y62-N65 PolarHBondContact O-N 3.46Å; Y62-H68 WeakPolarHBondContact O-CB 3.49Å
63	A	47.5	Very low	51.1	Low	2 Å²	2	52 Å²	52	2%	0.017	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-8.5	179.9	0	0	0	0	0	114.3	T59 C60 F69 L72 T90	T59-A63 PolarHBondContact O-N 2.89Å; C60-A63 WeakPolarHBondContact O-CB 3.24Å; C60-A63 PolarHBondContact O-N 3.19Å; A63-F69 HydrophobicContact CB-CD2 4.3Å; A63-F69 VanDerWaalsContact O-CB 3.25Å; A63-F69 WeakPolarHBondContact O-CB 3.4Å; A63-F69 WeakPolarHBondContact O-CD2 3.49Å; A63-L72 HydrophobicContact CB-CD2 3.83Å; A63-T90 HydrophobicContact CB-CG2 4.44Å
64	F	46.7	Very low	52.2	Low	34 Å²	34	52 Å²	52	15%	0.149	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.7	167.4	50	-104.3	0	0	0	113.4	F61 Y62 F115 F125	F61-F64 WeakPolarHBondContact O-CE1 3.21Å; F61-F64 WeakPolarHBondContact O-CZ 3.36Å; Y62-F64 VanDerWaalsContact CA-CZ 3.5Å; Y62-F64 AromaticContact CD1-CE2 3.59Å; Y62-F64 HydrophobicContact CD1-CE2 3.59Å; Y62-F64 AromaticContact CD1-CZ 3.34Å; Y62-F64 HydrophobicContact CD1-CZ 3.34Å; Y62-F64 HydrophobicContact CE1-CZ 4.09Å; Y62-F64 HydrophobicContact CG-CE2 4.29Å; Y62-F64 AromaticContact CG-CZ 4Å; Y62-F64 HydrophobicContact CG-CZ 4Å; Y62-F64 PolarHBondContact O-N 3.19Å; F64-F115 WeakPolarHBondContact O-CE2 3.38Å; F64-F115 VanDerWaalsContact O-CZ 3.24Å; F64-F115 WeakPolarHBondContact O-CZ 3.38Å; F64-F125 AromaticContact CD1-CE2 3.86Å; F64-F125 HydrophobicContact CD1-CE2 3.86Å; F64-F125 AromaticContact CD2-CD2 3.18Å; F64-F125 HydrophobicContact CD2-CD2 3.18Å; F64-F125 AromaticContact CD2-CE2 3.1Å; F64-F125 HydrophobicContact CD2-CE2 3.1Å; F64-F125 HydrophobicContact CD2-CG 4.02Å; F64-F125 AromaticContact CD2-CZ 3.86Å; F64-F125 HydrophobicContact CD2-CZ 3.86Å; F64-F125 AromaticContact CE1-CE2 3.54Å; F64-F125 HydrophobicContact CE1-CE2 3.54Å; F64-F125 AromaticContact CE1-CZ 3.83Å; F64-F125 HydrophobicContact CE1-CZ 3.83Å; F64-F125 HydrophobicContact CE2-CD1 4.05Å; F64-F125 AromaticContact CE2-CD2 3.26Å; F64-F125 HydrophobicContact CE2-CD2 3.26Å; F64-F125 AromaticContact CE2-CE1 3.65Å; F64-F125 HydrophobicContact CE2-CE1 3.65Å; F64-F125 AromaticContact CE2-CE2 2.79Å; F64-F125 HydrophobicContact CE2-CE2 2.79Å; F64-F125 AromaticContact CE2-CG 3.88Å; F64-F125 HydrophobicContact CE2-CG 3.88Å; F64-F125 AromaticContact CE2-CZ 3.04Å; F64-F125 HydrophobicContact CE2-CZ 3.04Å; F64-F125 AromaticContact CG-CD2 3.93Å; F64-F125 HydrophobicContact CG-CD2 3.93Å; F64-F125 AromaticContact CG-CE2 3.66Å; F64-F125 HydrophobicContact CG-CE2 3.66Å; F64-F125 AromaticContact CZ-CD2 3.97Å; F64-F125 HydrophobicContact CZ-CD2 3.97Å; F64-F125 AromaticContact CZ-CE1 3.91Å; F64-F125 HydrophobicContact CZ-CE1 3.91Å; F64-F125 AromaticContact CZ-CE2 3.01Å; F64-F125 HydrophobicContact CZ-CE2 3.01Å; F64-F125 AromaticContact CZ-CZ 2.98Å; F64-F125 HydrophobicContact CZ-CZ 2.98Å
65	N	52.2	Low	53.2	Low	61 Å²	61	52.5 Å²	52.5	33%	0.326	27%	0.265	S	S	.	.	S	Bend	trans	-83.1	129.2	170.1	176.1	-54.7	0	0	0	107.8	Y62 D67 H68 F69	Y62-N65 WeakPolarHBondContact O-CA 3.19Å; Y62-N65 WeakPolarHBondContact O-CB 3.43Å; Y62-N65 PolarHBondContact O-N 3.46Å; N65-D67 VanDerWaalsContact C-N 3.28Å; N65-D67 PolarHBondContact O-N 2.96Å; N65-D67 PolarHBondContact OD1-N 2.95Å; N65-H68 HydrophobicContact CB-CB 4.19Å; N65-H68 VanDerWaalsContact CG-ND1 3.26Å; N65-H68 PolarHBondContact O-N 2.77Å; N65-H68 PolarHBondContact OD1-N 3.23Å; N65-H68 PolarHBondContact OD1-ND1 3.34Å; N65-F69 WeakPolarHBondContact O-CB 3.26Å; N65-F69 PolarHBondContact O-N 2.87Å
66	R	57.4	Low	53.9	Low	98 Å²	98	46.7 Å²	46.7	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-38.1	-172.3	-172.6	-178.9	-177.1	-164.1	3.1	113.4	K70 F115 L116	R66-K70 HydrophobicContact CG-CD 4.46Å; R66-K70 WeakPolarHBondContact O-CB 3.46Å; R66-K70 VanDerWaalsContact O-CG 3.27Å; R66-K70 WeakPolarHBondContact O-CG 3.43Å; R66-K70 PolarHBondContact O-N 3.23Å; R66-F115 HydrophobicContact CB-CE1 3.98Å; R66-F115 HydrophobicContact CB-CZ 3.73Å; R66-F115 HydrophobicContact CG-CE1 4.14Å; R66-F115 HydrophobicContact CG-CZ 4.37Å; R66-L116 PolarHBondContact NH2-O 2.83Å
67	D	61	Low	54.9	Low	113 Å²	113	48.8 Å²	48.8	60%	0.604	24%	0.237	S	C	*	.	H	α-helix	trans	-74.1	-37.4	-177.1	-63	-26.8	0	0	0	110.8	N65 A71	N65-D67 VanDerWaalsContact C-N 3.28Å; N65-D67 PolarHBondContact O-N 2.96Å; N65-D67 PolarHBondContact OD1-N 2.95Å; D67-A71 WeakPolarHBondContact O-CB 3.32Å; D67-A71 PolarHBondContact O-N 2.91Å
68	H	55.3	Low	56.1	Low	57 Å²	57	55.5 Å²	55.5	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-72.3	-41.4	175.2	-66.6	75.8	0	0	0	110.9	T59 Y62 N65 K70 A71 L72	T59-H68 HydrophobicContact CG2-CB 4.33Å; T59-H68 WeakPolarHBondContact CG2-O 3.36Å; Y62-H68 WeakPolarHBondContact O-CB 3.49Å; N65-H68 HydrophobicContact CB-CB 4.19Å; N65-H68 VanDerWaalsContact CG-ND1 3.26Å; N65-H68 PolarHBondContact O-N 2.77Å; N65-H68 PolarHBondContact OD1-N 3.23Å; N65-H68 PolarHBondContact OD1-ND1 3.34Å; H68-K70 VanDerWaalsContact C-N 3.33Å; H68-K70 PolarHBondContact O-N 3.3Å; H68-A71 PolarHBondContact O-N 3.34Å; H68-L72 WeakPolarHBondContact O-CB 3.36Å; H68-L72 PolarHBondContact O-N 3.48Å
69	F	61.2	Low	56.9	Low	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-45.3	173.1	-173.8	-90.4	0	0	0	112	A63 N65 L72 M73 L84 Y87 F112 L141	A63-F69 HydrophobicContact CB-CD2 4.3Å; A63-F69 VanDerWaalsContact O-CB 3.25Å; A63-F69 WeakPolarHBondContact O-CB 3.4Å; A63-F69 WeakPolarHBondContact O-CD2 3.49Å; N65-F69 WeakPolarHBondContact O-CB 3.26Å; N65-F69 PolarHBondContact O-N 2.87Å; F69-L72 WeakPolarHBondContact O-CB 3.07Å; F69-L72 PolarHBondContact O-N 3.04Å; F69-M73 HydrophobicContact CD1-CG 4.06Å; F69-M73 HydrophobicContact CE1-CB 4.39Å; F69-M73 HydrophobicContact CE1-CG 3.25Å; F69-M73 HydrophobicContact CE1-SD 4.27Å; F69-M73 HydrophobicContact CE2-CG 4.36Å; F69-M73 HydrophobicContact CZ-CG 3.46Å; F69-M73 VanDerWaalsContact CZ-CG 3.46Å; F69-M73 HydrophobicContact CZ-SD 3.88Å; F69-M73 PolarHBondContact O-N 2.92Å; F69-L84 HydrophobicContact CD1-CD1 4.3Å; F69-L84 HydrophobicContact CE1-CD1 3.58Å; F69-Y87 HydrophobicContact CE2-CD2 4.04Å; F69-Y87 AromaticContact CE2-CE2 3.56Å; F69-Y87 HydrophobicContact CE2-CE2 3.56Å; F69-Y87 AromaticContact CZ-CD2 3.45Å; F69-Y87 HydrophobicContact CZ-CD2 3.45Å; F69-Y87 VanDerWaalsContact CZ-CD2 3.45Å; F69-Y87 AromaticContact CZ-CE2 3.42Å; F69-Y87 HydrophobicContact CZ-CE2 3.42Å; F69-Y87 VanDerWaalsContact CZ-CE2 3.42Å; F69-Y87 HydrophobicContact CZ-CG 4.3Å; F69-F112 AromaticContact CD1-CE2 3.79Å; F69-F112 HydrophobicContact CD1-CE2 3.79Å; F69-F112 HydrophobicContact CD1-CZ 4.09Å; F69-F112 AromaticContact CE1-CE2 3.22Å; F69-F112 HydrophobicContact CE1-CE2 3.22Å; F69-F112 AromaticContact CE1-CZ 3.23Å; F69-F112 HydrophobicContact CE1-CZ 3.23Å; F69-F112 HydrophobicContact CE2-CE2 4.02Å; F69-F112 HydrophobicContact CG-CE2 4.45Å; F69-F112 HydrophobicContact CZ-CD2 4.46Å; F69-F112 AromaticContact CZ-CE2 3.33Å; F69-F112 HydrophobicContact CZ-CE2 3.33Å; F69-F112 AromaticContact CZ-CZ 3.52Å; F69-F112 HydrophobicContact CZ-CZ 3.52Å; F69-L141 HydrophobicContact CE2-CD1 4.35Å
70	K	64.7	Low	57.3	Low	76 Å²	76	53.5 Å²	53.5	33%	0.33	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-47	175.6	-79.6	177	176.2	-176.8	0	111.4	R66 H68 L72 M73 D74	R66-K70 HydrophobicContact CG-CD 4.46Å; R66-K70 WeakPolarHBondContact O-CB 3.46Å; R66-K70 VanDerWaalsContact O-CG 3.27Å; R66-K70 WeakPolarHBondContact O-CG 3.43Å; R66-K70 PolarHBondContact O-N 3.23Å; H68-K70 VanDerWaalsContact C-N 3.33Å; H68-K70 PolarHBondContact O-N 3.3Å; K70-L72 VanDerWaalsContact C-N 3.26Å; K70-L72 PolarHBondContact O-N 3.38Å; K70-M73 CarbonylContact O-C 3.47Å; K70-M73 PolarHBondContact O-N 2.9Å; K70-M73 VanDerWaalsContact O-N 3.11Å; K70-D74 WeakPolarHBondContact O-CB 3.35Å; K70-D74 PolarHBondContact O-N 3.08Å
71	A	62.6	Low	58	Low	35 Å²	35	55 Å²	55	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-36.1	176.2	0	0	0	0	0	112	T59 D67 H68 D74 I75	T59-A71 HydrophobicContact CG2-CB 3.52Å; D67-A71 WeakPolarHBondContact O-CB 3.32Å; D67-A71 PolarHBondContact O-N 2.91Å; H68-A71 PolarHBondContact O-N 3.34Å; A71-D74 PolarHBondContact O-N 3.32Å; A71-I75 WeakPolarHBondContact O-CD1 3.24Å; A71-I75 VanDerWaalsContact O-CG1 3.23Å; A71-I75 WeakPolarHBondContact O-CG1 3.47Å; A71-I75 PolarHBondContact O-N 3.06Å
72	L	63.6	Low	58.8	Low	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-45.6	172.9	-178.1	56.6	0	0	0	111.1	T59 C60 A63 H68 F69 K70 D74 I75 V76 L141	T59-L72 HydrophobicContact CG2-CB 3.97Å; T59-L72 VanDerWaalsContact CG2-N 3.3Å; C60-L72 WeakPolarHBondContact SG-CD1 3.37Å; A63-L72 HydrophobicContact CB-CD2 3.83Å; H68-L72 WeakPolarHBondContact O-CB 3.36Å; H68-L72 PolarHBondContact O-N 3.48Å; F69-L72 WeakPolarHBondContact O-CB 3.07Å; F69-L72 PolarHBondContact O-N 3.04Å; K70-L72 VanDerWaalsContact C-N 3.26Å; K70-L72 PolarHBondContact O-N 3.38Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-I75 WeakPolarHBondContact O-CB 3.28Å; L72-I75 PolarHBondContact O-N 3.17Å; L72-V76 WeakPolarHBondContact O-CB 3.49Å; L72-V76 VanDerWaalsContact O-CG2 3.28Å; L72-V76 WeakPolarHBondContact O-CG2 3.42Å; L72-V76 PolarHBondContact O-N 3.1Å; L72-L141 HydrophobicContact CD1-CD2 4.49Å; L72-L141 HydrophobicContact CD2-CD2 3.76Å; L72-L141 HydrophobicContact CG-CD2 3.87Å
73	M	67.2	Low	59.6	Low	5 Å²	5	50.5 Å²	50.5	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-69.1	-30.9	177.1	-72.7	-55.4	-57.8	0	0	113.2	F69 K70 V76 K77 N83 L84 L141 V143	F69-M73 HydrophobicContact CD1-CG 4.06Å; F69-M73 HydrophobicContact CE1-CB 4.39Å; F69-M73 HydrophobicContact CE1-CG 3.25Å; F69-M73 HydrophobicContact CE1-SD 4.27Å; F69-M73 HydrophobicContact CE2-CG 4.36Å; F69-M73 HydrophobicContact CZ-CG 3.46Å; F69-M73 VanDerWaalsContact CZ-CG 3.46Å; F69-M73 HydrophobicContact CZ-SD 3.88Å; F69-M73 PolarHBondContact O-N 2.92Å; K70-M73 CarbonylContact O-C 3.47Å; K70-M73 PolarHBondContact O-N 2.9Å; K70-M73 VanDerWaalsContact O-N 3.11Å; M73-V76 HydrophobicContact CE-CG1 4.21Å; M73-V76 PolarHBondContact O-N 2.88Å; M73-K77 WeakPolarHBondContact O-CB 3.49Å; M73-K77 PolarHBondContact O-N 3.44Å; M73-N83 VanDerWaalsContact CE-O 3.3Å; M73-N83 WeakPolarHBondContact CE-O 3.28Å; M73-L84 HydrophobicContact CB-CD1 4.2Å; M73-L84 HydrophobicContact CG-CD1 3.86Å; M73-L141 HydrophobicContact SD-CD1 4.3Å; M73-L141 HydrophobicContact SD-CD2 4.25Å; M73-V143 HydrophobicContact CE-CG1 3.92Å; M73-V143 HydrophobicContact SD-CG1 4Å
74	D	67.4	Low	60.4	Low	105 Å²	105	53.3 Å²	53.3	56%	0.561	27%	0.274	S	S	*	.	H	α-helix	trans	-65.5	-42.1	173.1	-70.2	-26.7	0	0	0	110.2	K70 A71 L72 K77 E78	K70-D74 WeakPolarHBondContact O-CB 3.35Å; K70-D74 PolarHBondContact O-N 3.08Å; A71-D74 PolarHBondContact O-N 3.32Å; L72-D74 VanDerWaalsContact C-N 3.34Å; D74-K77 PolarHBondContact O-N 3.29Å; D74-E78 WeakPolarHBondContact O-CB 3.17Å; D74-E78 PolarHBondContact O-N 3.38Å
75	I	61.9	Low	61.2	Low	31 Å²	31	60.3 Å²	60.3	16%	0.159	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-49.2	172.5	-70.4	165.5	0	0	0	110.8	I54 A71 L72 K77 E78 I79	I54-I75 HydrophobicContact CD1-CG2 3.69Å; I54-I75 HydrophobicContact CG1-CG2 4.47Å; I54-I75 HydrophobicContact CG2-CG2 3.52Å; A71-I75 WeakPolarHBondContact O-CD1 3.24Å; A71-I75 VanDerWaalsContact O-CG1 3.23Å; A71-I75 WeakPolarHBondContact O-CG1 3.47Å; A71-I75 PolarHBondContact O-N 3.06Å; L72-I75 WeakPolarHBondContact O-CB 3.28Å; L72-I75 PolarHBondContact O-N 3.17Å; I75-K77 VanDerWaalsContact C-N 3.28Å; I75-K77 PolarHBondContact O-N 2.92Å; I75-E78 WeakPolarHBondContact O-CB 3.41Å; I75-E78 PolarHBondContact O-N 2.52Å; I75-E78 VanDerWaalsContact O-N 3.13Å; I75-I79 HydrophobicContact CG2-CD1 3.56Å; I75-I79 WeakPolarHBondContact O-CD1 3.36Å; I75-I79 VanDerWaalsContact O-CG1 3.26Å; I75-I79 WeakPolarHBondContact O-CG1 3.25Å; I75-I79 PolarHBondContact O-N 3.05Å
76	V	60.8	Low	61.7	Low	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-42.2	177.8	163.3	0	0	0	0	111.1	L72 M73 I79 V80 A82 L141 V143 Y153	L72-V76 WeakPolarHBondContact O-CB 3.49Å; L72-V76 VanDerWaalsContact O-CG2 3.28Å; L72-V76 WeakPolarHBondContact O-CG2 3.42Å; L72-V76 PolarHBondContact O-N 3.1Å; M73-V76 HydrophobicContact CE-CG1 4.21Å; M73-V76 PolarHBondContact O-N 2.88Å; V76-I79 PolarHBondContact O-N 3.35Å; V76-V80 HydrophobicContact CG1-CG2 4.03Å; V76-V80 VanDerWaalsContact O-CG2 3.32Å; V76-V80 WeakPolarHBondContact O-CG2 3.26Å; V76-V80 PolarHBondContact O-N 3.25Å; V76-A82 HydrophobicContact CG1-CB 3.91Å; V76-L141 HydrophobicContact CG2-CD2 3.87Å; V76-V143 HydrophobicContact CG1-CG1 4.16Å; V76-V143 HydrophobicContact CG1-CG2 3.99Å; V76-Y153 HydrophobicContact CG1-CE2 4.07Å; V76-Y153 HydrophobicContact CG2-CD1 4.47Å; V76-Y153 HydrophobicContact CG2-CD2 4.43Å; V76-Y153 HydrophobicContact CG2-CE1 3.99Å; V76-Y153 HydrophobicContact CG2-CE2 3.93Å
77	K	66.7	Low	61.8	Low	109 Å²	109	54.7 Å²	54.7	47%	0.474	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.2	-179.3	177	177.9	166.8	0	112	M73 D74 I75 I79 G81 A82 N83	M73-K77 WeakPolarHBondContact O-CB 3.49Å; M73-K77 PolarHBondContact O-N 3.44Å; D74-K77 PolarHBondContact O-N 3.29Å; I75-K77 VanDerWaalsContact C-N 3.28Å; I75-K77 PolarHBondContact O-N 2.92Å; K77-I79 PolarHBondContact O-N 3.18Å; K77-G81 WeakPolarHBondContact O-CA 3.23Å; K77-G81 PolarHBondContact O-N 3.09Å; K77-A82 VanDerWaalsContact CA-O 3.27Å; K77-A82 WeakPolarHBondContact CA-O 3.28Å; K77-A82 WeakPolarHBondContact CB-O 3Å; K77-A82 PolarHBondContact N-O 2.88Å; K77-N83 VanDerWaalsContact CD-OD1 3.28Å; K77-N83 WeakPolarHBondContact CD-OD1 3.43Å; K77-N83 WeakPolarHBondContact CE-OD1 3.38Å; K77-N83 PolarHBondContact NZ-OD1 3.49Å
78	E	63.2	Low	61.5	Low	168 Å²	168	50.1 Å²	50.1	79%	0.785	26%	0.259	S	S	*	.	H	α-helix	trans	-60.9	-35.8	177.7	-175.1	174.1	177	0	0	111.7	D74 I75	D74-E78 WeakPolarHBondContact O-CB 3.17Å; D74-E78 PolarHBondContact O-N 3.38Å; I75-E78 WeakPolarHBondContact O-CB 3.41Å; I75-E78 PolarHBondContact O-N 2.52Å; I75-E78 VanDerWaalsContact O-N 3.13Å
79	I	54.6	Low	61.4	Low	53 Å²	53	47.8 Å²	47.8	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-92.2	-46.2	-170.2	-61.1	163.1	0	0	0	112.9	I40 I54 I75 V76 K77	I40-I79 HydrophobicContact CD1-CB 4.07Å; I40-I79 HydrophobicContact CD1-CD1 3.54Å; I40-I79 HydrophobicContact CD1-CG1 4.29Å; I40-I79 HydrophobicContact CD1-CG2 3.33Å; I54-I79 HydrophobicContact CD1-CD1 3.29Å; I54-I79 HydrophobicContact CG1-CD1 3.48Å; I54-I79 VanDerWaalsContact CG1-CD1 3.48Å; I54-I79 HydrophobicContact CG2-CD1 4.27Å; I75-I79 HydrophobicContact CG2-CD1 3.56Å; I75-I79 WeakPolarHBondContact O-CD1 3.36Å; I75-I79 VanDerWaalsContact O-CG1 3.26Å; I75-I79 WeakPolarHBondContact O-CG1 3.25Å; I75-I79 PolarHBondContact O-N 3.05Å; V76-I79 PolarHBondContact O-N 3.35Å; K77-I79 PolarHBondContact O-N 3.18Å
80	V	53.9	Low	61.2	Low	31 Å²	31	47.9 Å²	47.9	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-118.4	4.6	-175.7	-53	0	0	0	0	113.4	V76 A82 Y153	V76-V80 HydrophobicContact CG1-CG2 4.03Å; V76-V80 VanDerWaalsContact O-CG2 3.32Å; V76-V80 WeakPolarHBondContact O-CG2 3.26Å; V76-V80 PolarHBondContact O-N 3.25Å; V80-A82 HydrophobicContact CG2-CB 3.8Å; V80-A82 PolarHBondContact O-N 3.21Å; V80-Y153 WeakPolarHBondContact CG2-OH 3.37Å
81	G	58.5	Low	60.5	Low	38 Å²	38	44.3 Å²	44.3	39%	0.392	23%	0.233	S	C	.	.			trans	71	11.5	-179.8	0	0	0	0	0	114.7	K77	K77-G81 WeakPolarHBondContact O-CA 3.23Å; K77-G81 PolarHBondContact O-N 3.09Å
82	A	58.5	Low	60	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.			trans	-83.4	122.2	-179.1	0	0	0	0	0	111.6	V76 K77 V80 N86 V143	V76-A82 HydrophobicContact CG1-CB 3.91Å; K77-A82 VanDerWaalsContact CA-O 3.27Å; K77-A82 WeakPolarHBondContact CA-O 3.28Å; K77-A82 WeakPolarHBondContact CB-O 3Å; K77-A82 PolarHBondContact N-O 2.88Å; V80-A82 HydrophobicContact CG2-CB 3.8Å; V80-A82 PolarHBondContact O-N 3.21Å; A82-N86 HydrophobicContact CB-CB 4.18Å; A82-V143 HydrophobicContact CB-CB 4.16Å; A82-V143 HydrophobicContact CB-CG2 3.63Å
83	N	66.2	Low	59.2	Low	40 Å²	40	42.8 Å²	42.8	21%	0.214	22%	0.221	C	C	.	.			trans	-84.5	172.3	-179.3	-64.2	-36.6	0	0	0	112.2	M73 K77 E85 N86	M73-N83 VanDerWaalsContact CE-O 3.3Å; M73-N83 WeakPolarHBondContact CE-O 3.28Å; K77-N83 VanDerWaalsContact CD-OD1 3.28Å; K77-N83 WeakPolarHBondContact CD-OD1 3.43Å; K77-N83 WeakPolarHBondContact CE-OD1 3.38Å; K77-N83 PolarHBondContact NZ-OD1 3.49Å; N83-E85 PolarHBondContact O-N 3.3Å; N83-N86 PolarHBondContact N-ND2 3.03Å; N83-N86 WeakPolarHBondContact O-CA 3.33Å; N83-N86 WeakPolarHBondContact O-CB 3.12Å; N83-N86 PolarHBondContact O-N 2.81Å
84	L	64.1	Low	58.2	Low	62 Å²	62	43.5 Å²	43.5	33%	0.325	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.6	-32.2	174.2	-166.2	68	0	0	0	113.4	F69 M73 N86 Y87 F112 L116	F69-L84 HydrophobicContact CD1-CD1 4.3Å; F69-L84 HydrophobicContact CE1-CD1 3.58Å; M73-L84 HydrophobicContact CB-CD1 4.2Å; M73-L84 HydrophobicContact CG-CD1 3.86Å; L84-N86 PolarHBondContact O-N 2.79Å; L84-Y87 WeakPolarHBondContact O-CB 3.41Å; L84-Y87 PolarHBondContact O-N 3.34Å; L84-F112 HydrophobicContact CD1-CE1 4.13Å; L84-F112 HydrophobicContact CD1-CZ 3.61Å; L84-F112 HydrophobicContact CG-CE1 4.22Å; L84-F112 HydrophobicContact CG-CZ 4.18Å; L84-L116 HydrophobicContact CD1-CD1 4.33Å; L84-L116 HydrophobicContact CD1-CD2 4.46Å; L84-L116 HydrophobicContact CD2-CD1 3.5Å; L84-L116 HydrophobicContact CD2-CD2 3.91Å; L84-L116 HydrophobicContact CD2-CG 4.35Å; L84-L116 HydrophobicContact CG-CD1 3.85Å
85	E	65	Low	56.7	Low	181 Å²	181	39 Å²	39	85%	0.846	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-69.5	-16.5	177.3	-61.9	178.4	176.8	0	0	112.8	N83	N83-E85 PolarHBondContact O-N 3.3Å
86	N	61.9	Low	55.5	Low	30 Å²	30	38.7 Å²	38.7	16%	0.16	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-92.9	-0.4	179.8	-69.6	11.1	0	0	0	112.4	A82 N83 L84 V143 K144	A82-N86 HydrophobicContact CB-CB 4.18Å; N83-N86 PolarHBondContact N-ND2 3.03Å; N83-N86 WeakPolarHBondContact O-CA 3.33Å; N83-N86 WeakPolarHBondContact O-CB 3.12Å; N83-N86 PolarHBondContact O-N 2.81Å; L84-N86 PolarHBondContact O-N 2.79Å; N86-V143 CarbonylContact O-C 3.47Å; N86-V143 VanDerWaalsContact O-CA 3.26Å; N86-V143 WeakPolarHBondContact O-CA 3.25Å; N86-K144 WeakPolarHBondContact CB-O 3.26Å; N86-K144 PolarHBondContact ND2-O 2.88Å; N86-K144 PolarHBondContact O-N 2.9Å
87	Y	60.4	Low	54.1	Low	10 Å²	10	40.5 Å²	40.5	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	139.1	175.1	174	-96.1	0	0	0	111.2	F69 L84 F89 T90 L107 F112 L141	F69-Y87 HydrophobicContact CE2-CD2 4.04Å; F69-Y87 AromaticContact CE2-CE2 3.56Å; F69-Y87 HydrophobicContact CE2-CE2 3.56Å; F69-Y87 AromaticContact CZ-CD2 3.45Å; F69-Y87 HydrophobicContact CZ-CD2 3.45Å; F69-Y87 VanDerWaalsContact CZ-CD2 3.45Å; F69-Y87 AromaticContact CZ-CE2 3.42Å; F69-Y87 HydrophobicContact CZ-CE2 3.42Å; F69-Y87 VanDerWaalsContact CZ-CE2 3.42Å; F69-Y87 HydrophobicContact CZ-CG 4.3Å; L84-Y87 WeakPolarHBondContact O-CB 3.41Å; L84-Y87 PolarHBondContact O-N 3.34Å; Y87-F89 VanDerWaalsContact CZ-C 3.43Å; Y87-F89 VanDerWaalsContact CZ-CA 3.41Å; Y87-F89 VanDerWaalsContact OH-C 3.24Å; Y87-F89 WeakPolarHBondContact OH-CA 3.08Å; Y87-T90 WeakPolarHBondContact CE2-OG1 3.42Å; Y87-T90 PolarHBondContact OH-N 3.19Å; Y87-L107 WeakPolarHBondContact CE1-O 3.47Å; Y87-L107 WeakPolarHBondContact OH-CB 3.25Å; Y87-L107 PolarHBondContact OH-O 3.18Å; Y87-F112 HydrophobicContact CD1-CB 4.14Å; Y87-F112 AromaticContact CD1-CD1 3.35Å; Y87-F112 HydrophobicContact CD1-CD1 3.35Å; Y87-F112 AromaticContact CD1-CD2 3.92Å; Y87-F112 HydrophobicContact CD1-CD2 3.92Å; Y87-F112 AromaticContact CD1-CE1 3.51Å; Y87-F112 HydrophobicContact CD1-CE1 3.51Å; Y87-F112 HydrophobicContact CD1-CE2 4.09Å; Y87-F112 AromaticContact CD1-CG 3.53Å; Y87-F112 HydrophobicContact CD1-CG 3.53Å; Y87-F112 AromaticContact CD1-CZ 3.88Å; Y87-F112 HydrophobicContact CD1-CZ 3.88Å; Y87-F112 HydrophobicContact CD2-CE1 4.48Å; Y87-F112 HydrophobicContact CD2-CE2 4.28Å; Y87-F112 HydrophobicContact CD2-CZ 4.13Å; Y87-F112 HydrophobicContact CE1-CB 3.66Å; Y87-F112 AromaticContact CE1-CD1 3.71Å; Y87-F112 HydrophobicContact CE1-CD1 3.71Å; Y87-F112 AromaticContact CE1-CD2 3.49Å; Y87-F112 HydrophobicContact CE1-CD2 3.49Å; Y87-F112 VanDerWaalsContact CE1-CD2 3.49Å; Y87-F112 HydrophobicContact CE1-CE1 4.13Å; Y87-F112 AromaticContact CE1-CE2 3.98Å; Y87-F112 HydrophobicContact CE1-CE2 3.98Å; Y87-F112 AromaticContact CE1-CG 3.33Å; Y87-F112 HydrophobicContact CE1-CG 3.33Å; Y87-F112 HydrophobicContact CE1-CZ 4.24Å; Y87-F112 HydrophobicContact CE2-CD2 4.32Å; Y87-F112 HydrophobicContact CE2-CE2 4.11Å; Y87-F112 HydrophobicContact CE2-CZ 4.42Å; Y87-F112 HydrophobicContact CG-CD1 4.03Å; Y87-F112 HydrophobicContact CG-CD2 4.47Å; Y87-F112 AromaticContact CG-CE1 3.67Å; Y87-F112 HydrophobicContact CG-CE1 3.67Å; Y87-F112 HydrophobicContact CG-CE2 4.2Å; Y87-F112 HydrophobicContact CG-CG 4.38Å; Y87-F112 AromaticContact CG-CZ 3.77Å; Y87-F112 HydrophobicContact CG-CZ 3.77Å; Y87-F112 AromaticContact CZ-CD2 3.67Å; Y87-F112 AromaticContact CZ-CE2 3.93Å; Y87-L141 HydrophobicContact CD2-CD1 3.8Å; Y87-L141 HydrophobicContact CE2-CD1 3.73Å
88	I	54.3	Low	52.4	Low	18 Å²	18	43.7 Å²	43.7	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-57.1	174.6	-50.9	176.4	0	0	0	109.9	A142 K144 M150 T214	I88-A142 HydrophobicContact CB-CB 4.38Å; I88-A142 HydrophobicContact CD1-CB 4.44Å; I88-A142 PolarHBondContact N-O 3.23Å; I88-K144 HydrophobicContact CD1-CB 4.04Å; I88-K144 HydrophobicContact CG1-CB 4.31Å; I88-M150 HydrophobicContact CD1-CE 3.84Å; I88-M150 HydrophobicContact CD1-CG 4.03Å; I88-M150 HydrophobicContact CD1-SD 4.3Å; I88-T214 HydrophobicContact CD1-CG2 4.36Å; I88-T214 HydrophobicContact CG2-CG2 3.78Å
89	F	53.6	Low	50.6	Low	8 Å²	8	42 Å²	42	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	167	175.6	76.3	-73.9	0	0	0	112.3	Y87 A91 L106 L107 L140 A142 L210	Y87-F89 VanDerWaalsContact CZ-C 3.43Å; Y87-F89 VanDerWaalsContact CZ-CA 3.41Å; Y87-F89 VanDerWaalsContact OH-C 3.24Å; Y87-F89 WeakPolarHBondContact OH-CA 3.08Å; F89-A91 HydrophobicContact CD2-CB 4.22Å; F89-A91 HydrophobicContact CE2-CB 4.01Å; F89-L106 HydrophobicContact CB-CD2 4.32Å; F89-L106 HydrophobicContact CD2-CD2 3.97Å; F89-L106 HydrophobicContact CG-CD2 4.32Å; F89-L107 VanDerWaalsContact CA-O 3.28Å; F89-L107 WeakPolarHBondContact CA-O 3.49Å; F89-L140 HydrophobicContact CE2-CB 4.29Å; F89-A142 HydrophobicContact CD1-CB 3.69Å; F89-A142 HydrophobicContact CE1-CB 3.11Å; F89-A142 HydrophobicContact CZ-CB 3.84Å; F89-A142 PolarHBondContact N-O 3.02Å; F89-A142 PolarHBondContact O-N 2.72Å; F89-L210 HydrophobicContact CD1-CD2 3.6Å; F89-L210 HydrophobicContact CE1-CD1 3.51Å; F89-L210 HydrophobicContact CE1-CD2 2.91Å; F89-L210 HydrophobicContact CE1-CG 3.73Å; F89-L210 HydrophobicContact CE2-CD2 4.25Å; F89-L210 HydrophobicContact CZ-CD1 3.88Å; F89-L210 HydrophobicContact CZ-CD2 3.31Å; F89-L210 HydrophobicContact CZ-CG 4.14Å
90	T	55.6	Low	49.1	Very low	2 Å²	2	47.2 Å²	47.2	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.3	164.6	-63.9	0	0	0	0	108.6	A63 Y87 S105 L107 T139 L140 L141	A63-T90 HydrophobicContact CB-CG2 4.44Å; Y87-T90 WeakPolarHBondContact CE2-OG1 3.42Å; Y87-T90 PolarHBondContact OH-N 3.19Å; T90-S105 VanDerWaalsContact O-O 3.1Å; T90-L107 PolarHBondContact O-N 2.92Å; T90-T139 HydrophobicContact CG2-CG2 4.15Å; T90-L140 CarbonylContact C-O 3.39Å; T90-L140 WeakPolarHBondContact CA-O 3.25Å; T90-L140 WeakPolarHBondContact CG2-O 3.34Å; T90-L141 VanDerWaalsContact OG1-CD1 3.25Å; T90-L141 WeakPolarHBondContact OG1-CD1 3.42Å
91	A	51.4	Low	47.9	Very low	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.3	172.3	0	0	0	0	0	110.1	F89 S105 T139 L140 L165	F89-A91 HydrophobicContact CD2-CB 4.22Å; F89-A91 HydrophobicContact CE2-CB 4.01Å; A91-S105 VanDerWaalsContact CA-O 3.29Å; A91-S105 WeakPolarHBondContact CA-O 3.38Å; A91-T139 CarbonylContact O-C 3.52Å; A91-T139 WeakPolarHBondContact O-CA 3.34Å; A91-L140 HydrophobicContact CB-CB 4.28Å; A91-L140 PolarHBondContact N-O 2.85Å; A91-L140 PolarHBondContact O-N 2.93Å; A91-L165 HydrophobicContact CB-CD1 4.29Å
92	S	50.8	Low	46.6	Very low	7 Å²	7	50 Å²	50	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	130.6	172.1	-63.2	0	0	0	0	110.9	K104 C138 T139	S92-K104 PolarHBondContact O-N 3.3Å; S92-K104 VanDerWaalsContact O-N 3.08Å; S92-C138 CarbonylContact C-O 3.57Å; S92-C138 VanDerWaalsContact CA-O 3.28Å; S92-C138 WeakPolarHBondContact CA-O 3.21Å; S92-T139 WeakPolarHBondContact OG-CG2 3.28Å; S92-T139 PolarHBondContact OG-OG1 2.73Å
93	L	46.5	Very low	45.4	Very low	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.3	171.9	-170.1	68.6	0	0	0	107.6	F101 F103 M137 C138 H161 Q164 L165 M168	L93-F101 HydrophobicContact CD1-CB 4.04Å; L93-F101 HydrophobicContact CD1-CD1 4.41Å; L93-F101 HydrophobicContact CD2-CD1 4.02Å; L93-F101 HydrophobicContact CG-CD1 4.2Å; L93-F103 HydrophobicContact CD1-CB 4.1Å; L93-M137 CarbonylContact O-C 3.53Å; L93-M137 WeakPolarHBondContact O-CA 3.37Å; L93-M137 VanDerWaalsContact O-CG 3.29Å; L93-M137 WeakPolarHBondContact O-CG 3.26Å; L93-C138 HydrophobicContact CB-CB 4.29Å; L93-C138 PolarHBondContact N-O 3.02Å; L93-C138 PolarHBondContact O-N 3.28Å; L93-H161 HydrophobicContact CD2-CB 4.11Å; L93-H161 VanDerWaalsContact CD2-O 3.31Å; L93-H161 WeakPolarHBondContact CD2-O 3.19Å; L93-Q164 HydrophobicContact CD2-CB 4.16Å; L93-L165 HydrophobicContact CB-CB 4.42Å; L93-L165 HydrophobicContact CB-CD1 4.25Å; L93-L165 HydrophobicContact CB-CD2 4.4Å; L93-L165 HydrophobicContact CD2-CB 4.1Å; L93-M168 HydrophobicContact CD1-SD 3.81Å
94	M	46	Very low	44.2	Very low	20 Å²	20	52.4 Å²	52.4	10%	0.099	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.5	174.5	-67.7	177.2	76.3	0	0	109.6	I102 K104 Y129 S134 M137	M94-I102 PolarHBondContact N-O 3.12Å; M94-I102 PolarHBondContact O-N 2.97Å; M94-K104 HydrophobicContact SD-CD 4.21Å; M94-Y129 HydrophobicContact CE-CD1 3.99Å; M94-Y129 HydrophobicContact CE-CE1 4.33Å; M94-Y129 HydrophobicContact SD-CD1 3.5Å; M94-Y129 WeakPolarHBondContact SD-CD1 3.42Å; M94-Y129 HydrophobicContact SD-CE1 3.3Å; M94-Y129 WeakPolarHBondContact SD-CE1 3.34Å; M94-S134 VanDerWaalsContact CE-CB 3.45Å; M94-S134 WeakPolarHBondContact CE-OG 3.17Å; M94-M137 HydrophobicContact CG-CB 4.4Å; M94-M137 HydrophobicContact CG-CG 3.72Å; M94-M137 HydrophobicContact CG-SD 4.06Å
95	V	37.2	Very low	43.1	Very low	9 Å²	9	50.8 Å²	50.8	6%	0.055	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.8	172.1	-172.5	0	0	0	0	108.4	A97 Y100 F101 S134 E135 S136 H161	V95-A97 VanDerWaalsContact CG1-O 3.31Å; V95-A97 WeakPolarHBondContact CG1-O 3.48Å; V95-Y100 WeakPolarHBondContact CA-O 3.43Å; V95-F101 HydrophobicContact CB-CE1 4.47Å; V95-F101 HydrophobicContact CG1-CE1 4.3Å; V95-F101 HydrophobicContact CG2-CD1 3.79Å; V95-F101 HydrophobicContact CG2-CE1 3.52Å; V95-S134 VanDerWaalsContact O-CA 3.26Å; V95-S134 WeakPolarHBondContact O-CA 3.38Å; V95-E135 PolarHBondContact O-N 3.47Å; V95-E135 VanDerWaalsContact O-N 3.15Å; V95-S136 WeakPolarHBondContact CB-OG 3.4Å; V95-S136 WeakPolarHBondContact CG2-OG 3.25Å; V95-S136 PolarHBondContact N-O 2.94Å; V95-H161 WeakPolarHBondContact CG2-NE2 3.09Å
96	S	36.8	Very low	41.9	Very low	26 Å²	26	44 Å²	44	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-7	-171.8	58.9	0	0	0	0	115	Y100 I102	S96-Y100 PolarHBondContact N-O 3Å; S96-Y100 VanDerWaalsContact OG-CB 3.3Å; S96-Y100 WeakPolarHBondContact OG-CB 3.47Å; S96-Y100 PolarHBondContact OG-O 3.21Å; S96-Y100 VanDerWaalsContact OG-O 3.08Å; S96-I102 WeakPolarHBondContact OG-CD1 3.49Å; S96-I102 VanDerWaalsContact OG-CG1 3.26Å; S96-I102 WeakPolarHBondContact OG-CG1 3.49Å
97	A	32	Very low	41.2	Very low	38 Å²	38	43.5 Å²	43.5	31%	0.314	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	167.8	172.9	0	0	0	0	0	108.5	V95 N99 Y100	V95-A97 VanDerWaalsContact CG1-O 3.31Å; V95-A97 WeakPolarHBondContact CG1-O 3.48Å; A97-N99 PolarHBondContact O-N 2.89Å; A97-Y100 HydrophobicContact CB-CD2 3.89Å; A97-Y100 PolarHBondContact O-N 2.61Å
98	E	29.6	Very low	40.2	Very low	175 Å²	175	44.1 Å²	44.1	82%	0.818	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-10	-178.2	-85.2	-175.4	156	0	0	116.3
99	N	25.6	Very low	39.3	Very low	134 Å²	134	48.1 Å²	48.1	72%	0.717	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-147.6	18.8	176.8	-67.1	-75.1	0	0	0	114.3	A97	A97-N99 PolarHBondContact O-N 2.89Å
100	Y	23.9	Very low	38.4	Very low	162 Å²	162	52.1 Å²	52.1	64%	0.635	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.7	-174.7	-73.2	-88.7	0	0	0	112.9	V95 S96 A97	V95-Y100 WeakPolarHBondContact CA-O 3.43Å; S96-Y100 PolarHBondContact N-O 3Å; S96-Y100 VanDerWaalsContact OG-CB 3.3Å; S96-Y100 WeakPolarHBondContact OG-CB 3.47Å; S96-Y100 PolarHBondContact OG-O 3.21Å; S96-Y100 VanDerWaalsContact OG-O 3.08Å; A97-Y100 HydrophobicContact CB-CD2 3.89Å; A97-Y100 PolarHBondContact O-N 2.61Å
101	F	27.8	Very low	37.7	Very low	81 Å²	81	56.3 Å²	56.3	36%	0.355	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.3	169.5	-60.7	-68.7	0	0	0	110.9	L93 V95 H161 Q164	L93-F101 HydrophobicContact CD1-CB 4.04Å; L93-F101 HydrophobicContact CD1-CD1 4.41Å; L93-F101 HydrophobicContact CD2-CD1 4.02Å; L93-F101 HydrophobicContact CG-CD1 4.2Å; V95-F101 HydrophobicContact CB-CE1 4.47Å; V95-F101 HydrophobicContact CG1-CE1 4.3Å; V95-F101 HydrophobicContact CG2-CD1 3.79Å; V95-F101 HydrophobicContact CG2-CE1 3.52Å; F101-H161 AromaticContact CE1-CD2 3.33Å; F101-H161 WeakPolarHBondContact CE1-CD2 3.38Å; F101-H161 AromaticContact CE1-NE2 3.64Å; F101-H161 AromaticContact CZ-CD2 3.93Å; F101-Q164 VanDerWaalsContact CE2-NE2 3.32Å; F101-Q164 VanDerWaalsContact CE2-OE1 3.28Å
102	I	32.3	Very low	37.5	Very low	45 Å²	45	56.8 Å²	56.8	23%	0.231	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	102.4	165.8	-42.7	-175.5	0	0	0	108.3	M94 S96 K104 A132	M94-I102 PolarHBondContact N-O 3.12Å; M94-I102 PolarHBondContact O-N 2.97Å; S96-I102 WeakPolarHBondContact OG-CD1 3.49Å; S96-I102 VanDerWaalsContact OG-CG1 3.26Å; S96-I102 WeakPolarHBondContact OG-CG1 3.49Å; I102-K104 HydrophobicContact CB-CD 4.41Å; I102-K104 HydrophobicContact CB-CG 4.06Å; I102-K104 HydrophobicContact CG2-CD 3.69Å; I102-K104 VanDerWaalsContact CG2-CE 3.45Å; I102-K104 HydrophobicContact CG2-CG 3.27Å; I102-A132 HydrophobicContact CD1-CB 3.82Å
103	F	33.5	Very low	36.8	Very low	56 Å²	56	58.9 Å²	58.9	25%	0.246	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.7	166	177.5	-93.2	0	0	0	108.6	L93 L106 L165 M168	L93-F103 HydrophobicContact CD1-CB 4.1Å; F103-L106 HydrophobicContact CZ-CB 4.18Å; F103-L106 HydrophobicContact CZ-CD1 4.05Å; F103-L106 HydrophobicContact CZ-CG 4.17Å; F103-L165 HydrophobicContact CD2-CD1 3.85Å; F103-L165 HydrophobicContact CE2-CD1 3.69Å; F103-M168 HydrophobicContact CB-CE 3.24Å; F103-M168 HydrophobicContact CB-SD 3.9Å; F103-M168 HydrophobicContact CD1-CE 4.47Å; F103-M168 HydrophobicContact CD2-CB 4.46Å; F103-M168 HydrophobicContact CD2-CE 4.17Å; F103-M168 HydrophobicContact CD2-SD 4.31Å; F103-M168 HydrophobicContact CG-CE 3.74Å; F103-M168 HydrophobicContact CG-SD 4.39Å
104	K	40.2	Very low	36.6	Very low	36 Å²	36	61.8 Å²	61.8	16%	0.157	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-14.5	-166.2	-78.2	-160.1	150.2	145.8	0	118.5	S92 M94 I102 V128 Y129	S92-K104 PolarHBondContact O-N 3.3Å; S92-K104 VanDerWaalsContact O-N 3.08Å; M94-K104 HydrophobicContact SD-CD 4.21Å; I102-K104 HydrophobicContact CB-CD 4.41Å; I102-K104 HydrophobicContact CB-CG 4.06Å; I102-K104 HydrophobicContact CG2-CD 3.69Å; I102-K104 VanDerWaalsContact CG2-CE 3.45Å; I102-K104 HydrophobicContact CG2-CG 3.27Å; K104-V128 HydrophobicContact CD-CG1 4.19Å; K104-V128 WeakPolarHBondContact CE-O 3.32Å; K104-V128 PolarHBondContact NZ-O 3.49Å; K104-Y129 HydrophobicContact CB-CE1 4.19Å; K104-Y129 WeakPolarHBondContact CB-OH 3.16Å; K104-Y129 HydrophobicContact CD-CD1 3.51Å; K104-Y129 HydrophobicContact CD-CD2 4.25Å; K104-Y129 HydrophobicContact CD-CE1 3.12Å; K104-Y129 HydrophobicContact CD-CE2 3.95Å; K104-Y129 HydrophobicContact CD-CG 4.09Å; K104-Y129 HydrophobicContact CG-CE1 4.24Å
105	S	40.7	Very low	36.7	Very low	28 Å²	28	62.1 Å²	62.1	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	134.8	160.9	57.7	0	0	0	0	112.4	T90 A91	T90-S105 VanDerWaalsContact O-O 3.1Å; A91-S105 VanDerWaalsContact CA-O 3.29Å; A91-S105 WeakPolarHBondContact CA-O 3.38Å
106	L	40.7	Very low	37.2	Very low	38 Å²	38	63.5 Å²	63.5	20%	0.199	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	100	154.6	-123.8	160.8	0	0	0	105.9	F89 F103 G108 L169 Y172	F89-L106 HydrophobicContact CB-CD2 4.32Å; F89-L106 HydrophobicContact CD2-CD2 3.97Å; F89-L106 HydrophobicContact CG-CD2 4.32Å; F103-L106 HydrophobicContact CZ-CB 4.18Å; F103-L106 HydrophobicContact CZ-CD1 4.05Å; F103-L106 HydrophobicContact CZ-CG 4.17Å; L106-G108 PolarHBondContact O-N 2.94Å; L106-L169 HydrophobicContact CD1-CD2 3.39Å; L106-L169 HydrophobicContact CD2-CD2 4.32Å; L106-L169 HydrophobicContact CG-CD2 3.83Å; L106-Y172 HydrophobicContact CD1-CD1 3.55Å; L106-Y172 HydrophobicContact CD1-CD2 4.33Å; L106-Y172 HydrophobicContact CD1-CE1 3.82Å; L106-Y172 HydrophobicContact CD1-CG 3.83Å
107	L	45.7	Very low	37.8	Very low	19 Å²	19	70.8 Å²	70.8	10%	0.099	37%	0.371	C	S	.	.			trans	-84.9	84.3	176.3	-71.7	177.4	0	0	0	109.2	Y87 F89 T90 I111	Y87-L107 WeakPolarHBondContact CE1-O 3.47Å; Y87-L107 WeakPolarHBondContact OH-CB 3.25Å; Y87-L107 PolarHBondContact OH-O 3.18Å; F89-L107 VanDerWaalsContact CA-O 3.28Å; F89-L107 WeakPolarHBondContact CA-O 3.49Å; T90-L107 PolarHBondContact O-N 2.92Å; L107-I111 HydrophobicContact CD2-CB 4.48Å; L107-I111 HydrophobicContact CD2-CG2 3.59Å
108	G	39.8	Very low	38.2	Very low	23 Å²	23	71.3 Å²	71.3	24%	0.237	38%	0.38	C	S	.	.			trans	-77.8	169.4	171.9	0	0	0	0	0	113.4	L106 S110 I111 F112	L106-G108 PolarHBondContact O-N 2.94Å; G108-S110 PolarHBondContact O-N 3.29Å; G108-I111 PolarHBondContact O-N 3.13Å; G108-F112 WeakPolarHBondContact O-CB 3.37Å; G108-F112 PolarHBondContact O-N 2.93Å
109	D	35.2	Very low	38.7	Very low	103 Å²	103	64.3 Å²	64.3	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-47.5	-38.8	-174.6	-66.7	-23.5	0	0	0	115.3	S113	D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.05Å; D109-S113 PolarHBondContact O-OG 3.06Å
110	S	35.2	Very low	39.2	Very low	92 Å²	92	67.3 Å²	67.3	64%	0.643	36%	0.362	S	S	*	.	H	α-helix	trans	-68.7	-44	-179.1	60.1	0	0	0	0	112.6	G108 S113 S114	G108-S110 PolarHBondContact O-N 3.29Å; S110-S113 PolarHBondContact O-OG 2.74Å; S110-S113 VanDerWaalsContact O-OG 3.04Å; S110-S114 PolarHBondContact O-N 2.92Å
111	I	41.3	Very low	39.8	Very low	89 Å²	89	63.7 Å²	63.7	46%	0.456	36%	0.358	S	S	.	.	H	α-helix	trans	-71.6	-38.4	177.7	-60.3	175.7	0	0	0	109.6	L107 G108 S114 F115	L107-I111 HydrophobicContact CD2-CB 4.48Å; L107-I111 HydrophobicContact CD2-CG2 3.59Å; G108-I111 PolarHBondContact O-N 3.13Å; I111-S114 PolarHBondContact O-N 2.76Å; I111-F115 WeakPolarHBondContact O-CB 3.07Å; I111-F115 PolarHBondContact O-N 3Å
112	F	46.3	Very low	40.2	Very low	11 Å²	11	65.5 Å²	65.5	5%	0.048	39%	0.388	C	S	.	.	H	α-helix	trans	-66.4	-43	-179.7	-172	-110.1	0	0	0	113	F69 L84 Y87 G108 S114 F115 L116	F69-F112 AromaticContact CD1-CE2 3.79Å; F69-F112 HydrophobicContact CD1-CE2 3.79Å; F69-F112 HydrophobicContact CD1-CZ 4.09Å; F69-F112 AromaticContact CE1-CE2 3.22Å; F69-F112 HydrophobicContact CE1-CE2 3.22Å; F69-F112 AromaticContact CE1-CZ 3.23Å; F69-F112 HydrophobicContact CE1-CZ 3.23Å; F69-F112 HydrophobicContact CE2-CE2 4.02Å; F69-F112 HydrophobicContact CG-CE2 4.45Å; F69-F112 HydrophobicContact CZ-CD2 4.46Å; F69-F112 AromaticContact CZ-CE2 3.33Å; F69-F112 HydrophobicContact CZ-CE2 3.33Å; F69-F112 AromaticContact CZ-CZ 3.52Å; F69-F112 HydrophobicContact CZ-CZ 3.52Å; L84-F112 HydrophobicContact CD1-CE1 4.13Å; L84-F112 HydrophobicContact CD1-CZ 3.61Å; L84-F112 HydrophobicContact CG-CE1 4.22Å; L84-F112 HydrophobicContact CG-CZ 4.18Å; Y87-F112 HydrophobicContact CD1-CB 4.14Å; Y87-F112 AromaticContact CD1-CD1 3.35Å; Y87-F112 HydrophobicContact CD1-CD1 3.35Å; Y87-F112 AromaticContact CD1-CD2 3.92Å; Y87-F112 HydrophobicContact CD1-CD2 3.92Å; Y87-F112 AromaticContact CD1-CE1 3.51Å; Y87-F112 HydrophobicContact CD1-CE1 3.51Å; Y87-F112 HydrophobicContact CD1-CE2 4.09Å; Y87-F112 AromaticContact CD1-CG 3.53Å; Y87-F112 HydrophobicContact CD1-CG 3.53Å; Y87-F112 AromaticContact CD1-CZ 3.88Å; Y87-F112 HydrophobicContact CD1-CZ 3.88Å; Y87-F112 HydrophobicContact CD2-CE1 4.48Å; Y87-F112 HydrophobicContact CD2-CE2 4.28Å; Y87-F112 HydrophobicContact CD2-CZ 4.13Å; Y87-F112 HydrophobicContact CE1-CB 3.66Å; Y87-F112 AromaticContact CE1-CD1 3.71Å; Y87-F112 HydrophobicContact CE1-CD1 3.71Å; Y87-F112 AromaticContact CE1-CD2 3.49Å; Y87-F112 HydrophobicContact CE1-CD2 3.49Å; Y87-F112 VanDerWaalsContact CE1-CD2 3.49Å; Y87-F112 HydrophobicContact CE1-CE1 4.13Å; Y87-F112 AromaticContact CE1-CE2 3.98Å; Y87-F112 HydrophobicContact CE1-CE2 3.98Å; Y87-F112 AromaticContact CE1-CG 3.33Å; Y87-F112 HydrophobicContact CE1-CG 3.33Å; Y87-F112 HydrophobicContact CE1-CZ 4.24Å; Y87-F112 HydrophobicContact CE2-CD2 4.32Å; Y87-F112 HydrophobicContact CE2-CE2 4.11Å; Y87-F112 HydrophobicContact CE2-CZ 4.42Å; Y87-F112 HydrophobicContact CG-CD1 4.03Å; Y87-F112 HydrophobicContact CG-CD2 4.47Å; Y87-F112 AromaticContact CG-CE1 3.67Å; Y87-F112 HydrophobicContact CG-CE1 3.67Å; Y87-F112 HydrophobicContact CG-CE2 4.2Å; Y87-F112 HydrophobicContact CG-CG 4.38Å; Y87-F112 AromaticContact CG-CZ 3.77Å; Y87-F112 HydrophobicContact CG-CZ 3.77Å; Y87-F112 AromaticContact CZ-CD2 3.67Å; Y87-F112 AromaticContact CZ-CE2 3.93Å; G108-F112 WeakPolarHBondContact O-CB 3.37Å; G108-F112 PolarHBondContact O-N 2.93Å; F112-S114 VanDerWaalsContact C-N 3.27Å; F112-S114 PolarHBondContact O-N 2.79Å; F112-F115 WeakPolarHBondContact O-CB 2.95Å; F112-F115 PolarHBondContact O-N 2.74Å; F112-L116 HydrophobicContact CD1-CD1 3.75Å; F112-L116 HydrophobicContact CD1-CG 4.32Å; F112-L116 HydrophobicContact CE1-CD1 3.26Å; F112-L116 HydrophobicContact CE1-CG 4.01Å; F112-L116 HydrophobicContact CE2-CD1 4.39Å; F112-L116 HydrophobicContact CE2-CG 4.3Å; F112-L116 HydrophobicContact CZ-CD1 3.62Å; F112-L116 HydrophobicContact CZ-CD2 4.24Å; F112-L116 HydrophobicContact CZ-CG 4Å; F112-L116 WeakPolarHBondContact O-CB 3.41Å; F112-L116 WeakPolarHBondContact O-CG 3.16Å; F112-L116 PolarHBondContact O-N 2.96Å
113	S	37.6	Very low	40.1	Very low	50 Å²	50	65.2 Å²	65.2	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-34.8	175.7	73.9	0	0	0	0	112.5	D109 S110 K117	D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.05Å; D109-S113 PolarHBondContact O-OG 3.06Å; S110-S113 PolarHBondContact O-OG 2.74Å; S110-S113 VanDerWaalsContact O-OG 3.04Å; S113-K117 WeakPolarHBondContact O-CB 3.5Å; S113-K117 WeakPolarHBondContact O-CD 3.3Å; S113-K117 WeakPolarHBondContact O-CG 3.5Å; S113-K117 PolarHBondContact O-N 2.77Å; S113-K117 VanDerWaalsContact O-N 3.16Å
114	S	41.9	Very low	40	Very low	62 Å²	62	65.1 Å²	65.1	43%	0.434	40%	0.401	S	S	.	.	H	α-helix	trans	-70.3	-44.9	174	-173.3	0	0	0	0	111.7	S110 I111 F112 L116 K117 G118 G119	S110-S114 PolarHBondContact O-N 2.92Å; I111-S114 PolarHBondContact O-N 2.76Å; F112-S114 VanDerWaalsContact C-N 3.27Å; F112-S114 PolarHBondContact O-N 2.79Å; S114-L116 PolarHBondContact O-N 3.45Å; S114-K117 PolarHBondContact O-N 2.88Å; S114-G118 PolarHBondContact O-N 3.38Å; S114-G119 WeakPolarHBondContact O-CA 3.4Å; S114-G119 PolarHBondContact O-N 3.36Å
115	F	47.7	Very low	39.8	Very low	28 Å²	28	66.8 Å²	66.8	12%	0.123	41%	0.409	C	S	.	.	H	α-helix	trans	-59	-43.8	176.4	179.5	-104.5	0	0	0	112.2	F64 R66 I111 F112 G118	F64-F115 WeakPolarHBondContact O-CE2 3.38Å; F64-F115 VanDerWaalsContact O-CZ 3.24Å; F64-F115 WeakPolarHBondContact O-CZ 3.38Å; R66-F115 HydrophobicContact CB-CE1 3.98Å; R66-F115 HydrophobicContact CB-CZ 3.73Å; R66-F115 HydrophobicContact CG-CE1 4.14Å; R66-F115 HydrophobicContact CG-CZ 4.37Å; I111-F115 WeakPolarHBondContact O-CB 3.07Å; I111-F115 PolarHBondContact O-N 3Å; F112-F115 WeakPolarHBondContact O-CB 2.95Å; F112-F115 PolarHBondContact O-N 2.74Å; F115-G118 PolarHBondContact O-N 2.95Å
116	L	46.6	Very low	39.4	Very low	38 Å²	38	71.5 Å²	71.5	20%	0.199	43%	0.432	C	S	.	.	H	α-helix	trans	-69.7	-31.4	176.5	-71.9	-179.4	0	0	0	113.7	R66 L84 F112 S114 G118	R66-L116 PolarHBondContact NH2-O 2.83Å; L84-L116 HydrophobicContact CD1-CD1 4.33Å; L84-L116 HydrophobicContact CD1-CD2 4.46Å; L84-L116 HydrophobicContact CD2-CD1 3.5Å; L84-L116 HydrophobicContact CD2-CD2 3.91Å; L84-L116 HydrophobicContact CD2-CG 4.35Å; L84-L116 HydrophobicContact CG-CD1 3.85Å; F112-L116 HydrophobicContact CD1-CD1 3.75Å; F112-L116 HydrophobicContact CD1-CG 4.32Å; F112-L116 HydrophobicContact CE1-CD1 3.26Å; F112-L116 HydrophobicContact CE1-CG 4.01Å; F112-L116 HydrophobicContact CE2-CD1 4.39Å; F112-L116 HydrophobicContact CE2-CG 4.3Å; F112-L116 HydrophobicContact CZ-CD1 3.62Å; F112-L116 HydrophobicContact CZ-CD2 4.24Å; F112-L116 HydrophobicContact CZ-CG 4Å; F112-L116 WeakPolarHBondContact O-CB 3.41Å; F112-L116 WeakPolarHBondContact O-CG 3.16Å; F112-L116 PolarHBondContact O-N 2.96Å; S114-L116 PolarHBondContact O-N 3.45Å; L116-G118 PolarHBondContact O-N 2.98Å
117	K	49.6	Very low	39.2	Very low	178 Å²	178	76.4 Å²	76.4	77%	0.774	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	3.2	175.1	-73.7	171	-174.1	171.9	0	113.5	S113 S114 G119	S113-K117 WeakPolarHBondContact O-CB 3.5Å; S113-K117 WeakPolarHBondContact O-CD 3.3Å; S113-K117 WeakPolarHBondContact O-CG 3.5Å; S113-K117 PolarHBondContact O-N 2.77Å; S113-K117 VanDerWaalsContact O-N 3.16Å; S114-K117 PolarHBondContact O-N 2.88Å; K117-G119 VanDerWaalsContact C-N 3.35Å
118	G	41.4	Very low	38.6	Very low	49 Å²	49	78.7 Å²	78.7	51%	0.505	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	16	179.9	0	0	0	0	0	113.6	S114 F115 L116 K120	S114-G118 PolarHBondContact O-N 3.38Å; F115-G118 PolarHBondContact O-N 2.95Å; L116-G118 PolarHBondContact O-N 2.98Å; G118-K120 PolarHBondContact O-N 3.06Å
119	G	40.6	Very low	38.3	Very low	29 Å²	29	79.1 Å²	79.1	30%	0.299	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-59.8	118.6	164.1	0	0	0	0	0	108.8	S114 K117	S114-G119 WeakPolarHBondContact O-CA 3.4Å; S114-G119 PolarHBondContact O-N 3.36Å; K117-G119 VanDerWaalsContact C-N 3.35Å
120	K	35.5	Very low	38.3	Very low	197 Å²	197	77.8 Å²	77.8	86%	0.857	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-68.5	131.7	173.2	-71.1	-174.4	178.1	-175.9	0	108.3	G118	G118-K120 PolarHBondContact O-N 3.06Å
121	P	36.9	Very low	38.4	Very low	86 Å²	86	81 Å²	81	56%	0.558	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-52.8	144.3	163.1	-18.1	29.5	0	0	0	109.1	A123	P121-A123 PolarHBondContact O-N 3.41Å; P121-A123 VanDerWaalsContact O-N 3.08Å
122	A	35.5	Very low	38.2	Very low	119 Å²	119	77.7 Å²	77.7	98%	0.983	46%	0.463	S	S	*	.	S	Bend	trans	-62.9	-15.9	-176.6	0	0	0	0	0	113.7
123	A	30.8	Very low	37.9	Very low	39 Å²	39	82.7 Å²	82.7	32%	0.322	49%	0.494	S	S	.	.	S	Bend	trans	-129.7	138.5	174	0	0	0	0	0	109.4	P121 V128	P121-A123 PolarHBondContact O-N 3.41Å; P121-A123 VanDerWaalsContact O-N 3.08Å; A123-V128 HydrophobicContact CB-CG2 3.46Å; A123-V128 VanDerWaalsContact CB-CG2 3.46Å
124	A	31.3	Very low	38.3	Very low	53 Å²	53	82.4 Å²	82.4	44%	0.438	49%	0.491	S	S	.	.			trans	-68.3	149.4	175.5	0	0	0	0	0	110.2	D126 E127 V128	A124-D126 VanDerWaalsContact C-N 3.27Å; A124-D126 PolarHBondContact O-N 2.82Å; A124-E127 HydrophobicContact CB-CG 4.03Å; A124-E127 PolarHBondContact N-OE2 3.21Å; A124-E127 WeakPolarHBondContact O-CA 3.29Å; A124-E127 WeakPolarHBondContact O-CB 3.34Å; A124-E127 PolarHBondContact O-N 3.09Å; A124-V128 PolarHBondContact O-N 3.21Å; A124-V128 VanDerWaalsContact O-N 3.12Å
125	F	34.4	Very low	38.4	Very low	71 Å²	71	86.2 Å²	86.2	31%	0.311	50%	0.503	S	S	.	.	H	α-helix	trans	-53.7	-44.3	178.7	179.6	-97.8	0	0	0	111.9	F64 E127 V128 Y129	F64-F125 AromaticContact CD1-CE2 3.86Å; F64-F125 HydrophobicContact CD1-CE2 3.86Å; F64-F125 AromaticContact CD2-CD2 3.18Å; F64-F125 HydrophobicContact CD2-CD2 3.18Å; F64-F125 AromaticContact CD2-CE2 3.1Å; F64-F125 HydrophobicContact CD2-CE2 3.1Å; F64-F125 HydrophobicContact CD2-CG 4.02Å; F64-F125 AromaticContact CD2-CZ 3.86Å; F64-F125 HydrophobicContact CD2-CZ 3.86Å; F64-F125 AromaticContact CE1-CE2 3.54Å; F64-F125 HydrophobicContact CE1-CE2 3.54Å; F64-F125 AromaticContact CE1-CZ 3.83Å; F64-F125 HydrophobicContact CE1-CZ 3.83Å; F64-F125 HydrophobicContact CE2-CD1 4.05Å; F64-F125 AromaticContact CE2-CD2 3.26Å; F64-F125 HydrophobicContact CE2-CD2 3.26Å; F64-F125 AromaticContact CE2-CE1 3.65Å; F64-F125 HydrophobicContact CE2-CE1 3.65Å; F64-F125 AromaticContact CE2-CE2 2.79Å; F64-F125 HydrophobicContact CE2-CE2 2.79Å; F64-F125 AromaticContact CE2-CG 3.88Å; F64-F125 HydrophobicContact CE2-CG 3.88Å; F64-F125 AromaticContact CE2-CZ 3.04Å; F64-F125 HydrophobicContact CE2-CZ 3.04Å; F64-F125 AromaticContact CG-CD2 3.93Å; F64-F125 HydrophobicContact CG-CD2 3.93Å; F64-F125 AromaticContact CG-CE2 3.66Å; F64-F125 HydrophobicContact CG-CE2 3.66Å; F64-F125 AromaticContact CZ-CD2 3.97Å; F64-F125 HydrophobicContact CZ-CD2 3.97Å; F64-F125 AromaticContact CZ-CE1 3.91Å; F64-F125 HydrophobicContact CZ-CE1 3.91Å; F64-F125 AromaticContact CZ-CE2 3.01Å; F64-F125 HydrophobicContact CZ-CE2 3.01Å; F64-F125 AromaticContact CZ-CZ 2.98Å; F64-F125 HydrophobicContact CZ-CZ 2.98Å; F125-E127 PolarHBondContact O-N 2.73Å; F125-V128 PolarHBondContact O-N 3.17Å; F125-Y129 AromaticContact CD2-CD2 3.48Å; F125-Y129 HydrophobicContact CD2-CD2 3.48Å; F125-Y129 VanDerWaalsContact CD2-CD2 3.48Å; F125-Y129 HydrophobicContact CD2-CE1 4.44Å; F125-Y129 AromaticContact CD2-CE2 3.25Å; F125-Y129 HydrophobicContact CD2-CE2 3.25Å; F125-Y129 HydrophobicContact CD2-CG 4.19Å; F125-Y129 AromaticContact CD2-CZ 3.79Å; F125-Y129 HydrophobicContact CE1-CD2 4.49Å; F125-Y129 HydrophobicContact CE1-CG 4.37Å; F125-Y129 AromaticContact CE2-CD1 3.69Å; F125-Y129 HydrophobicContact CE2-CD1 3.69Å; F125-Y129 AromaticContact CE2-CD2 3.29Å; F125-Y129 HydrophobicContact CE2-CD2 3.29Å; F125-Y129 AromaticContact CE2-CE1 3.49Å; F125-Y129 HydrophobicContact CE2-CE1 3.49Å; F125-Y129 VanDerWaalsContact CE2-CE1 3.49Å; F125-Y129 AromaticContact CE2-CE2 3.12Å; F125-Y129 HydrophobicContact CE2-CE2 3.12Å; F125-Y129 AromaticContact CE2-CG 3.58Å; F125-Y129 HydrophobicContact CE2-CG 3.58Å; F125-Y129 AromaticContact CE2-CZ 3.21Å; F125-Y129 HydrophobicContact CG-CD2 4.12Å; F125-Y129 HydrophobicContact CG-CE2 4.27Å; F125-Y129 AromaticContact CZ-CD1 3.76Å; F125-Y129 HydrophobicContact CZ-CD1 3.76Å; F125-Y129 AromaticContact CZ-CD2 3.85Å; F125-Y129 HydrophobicContact CZ-CD2 3.85Å; F125-Y129 AromaticContact CZ-CE1 3.97Å; F125-Y129 HydrophobicContact CZ-CE1 3.97Å; F125-Y129 HydrophobicContact CZ-CE2 4.09Å; F125-Y129 AromaticContact CZ-CG 3.68Å; F125-Y129 HydrophobicContact CZ-CG 3.68Å; F125-Y129 WeakPolarHBondContact O-CD2 3.43Å; F125-Y129 PolarHBondContact O-N 3.2Å; F125-Y129 VanDerWaalsContact O-N 3.13Å
126	D	34.1	Very low	38.3	Very low	127 Å²	127	85.8 Å²	85.8	68%	0.679	50%	0.503	S	S	*	.	H	α-helix	trans	-64.6	-26.3	178.4	-56.3	-27.6	0	0	0	112.5	A124 A130	A124-D126 VanDerWaalsContact C-N 3.27Å; A124-D126 PolarHBondContact O-N 2.82Å; D126-A130 WeakPolarHBondContact O-CA 3.06Å; D126-A130 VanDerWaalsContact O-CB 3.25Å; D126-A130 WeakPolarHBondContact O-CB 2.88Å; D126-A130 PolarHBondContact O-N 3.04Å
127	E	36.5	Very low	38.5	Very low	141 Å²	141	84 Å²	84	66%	0.659	49%	0.494	S	S	*	.	H	α-helix	trans	-77.5	-35.1	178	-63.7	171.6	161.1	0	0	112.4	A124 F125 Y129	A124-E127 HydrophobicContact CB-CG 4.03Å; A124-E127 PolarHBondContact N-OE2 3.21Å; A124-E127 WeakPolarHBondContact O-CA 3.29Å; A124-E127 WeakPolarHBondContact O-CB 3.34Å; A124-E127 PolarHBondContact O-N 3.09Å; F125-E127 PolarHBondContact O-N 2.73Å; E127-Y129 VanDerWaalsContact C-N 3.33Å
128	V	33	Very low	38.7	Very low	67 Å²	67	75.6 Å²	75.6	41%	0.406	46%	0.457	S	S	.	.	H	α-helix	trans	-78.7	-22.5	179.9	175.5	0	0	0	0	111	K104 A123 A124 F125	K104-V128 HydrophobicContact CD-CG1 4.19Å; K104-V128 WeakPolarHBondContact CE-O 3.32Å; K104-V128 PolarHBondContact NZ-O 3.49Å; A123-V128 HydrophobicContact CB-CG2 3.46Å; A123-V128 VanDerWaalsContact CB-CG2 3.46Å; A124-V128 PolarHBondContact O-N 3.21Å; A124-V128 VanDerWaalsContact O-N 3.12Å; F125-V128 PolarHBondContact O-N 3.17Å
129	Y	33.6	Very low	39.2	Very low	33 Å²	33	73.3 Å²	73.3	13%	0.129	43%	0.433	C	S	.	.	H	α-helix	trans	-120.8	2.3	-170.1	-60.9	-112.3	0	0	0	114.7	M94 K104 F125 E127 D131 A132	M94-Y129 HydrophobicContact CE-CD1 3.99Å; M94-Y129 HydrophobicContact CE-CE1 4.33Å; M94-Y129 HydrophobicContact SD-CD1 3.5Å; M94-Y129 WeakPolarHBondContact SD-CD1 3.42Å; M94-Y129 HydrophobicContact SD-CE1 3.3Å; M94-Y129 WeakPolarHBondContact SD-CE1 3.34Å; K104-Y129 HydrophobicContact CB-CE1 4.19Å; K104-Y129 WeakPolarHBondContact CB-OH 3.16Å; K104-Y129 HydrophobicContact CD-CD1 3.51Å; K104-Y129 HydrophobicContact CD-CD2 4.25Å; K104-Y129 HydrophobicContact CD-CE1 3.12Å; K104-Y129 HydrophobicContact CD-CE2 3.95Å; K104-Y129 HydrophobicContact CD-CG 4.09Å; K104-Y129 HydrophobicContact CG-CE1 4.24Å; F125-Y129 AromaticContact CD2-CD2 3.48Å; F125-Y129 HydrophobicContact CD2-CD2 3.48Å; F125-Y129 VanDerWaalsContact CD2-CD2 3.48Å; F125-Y129 HydrophobicContact CD2-CE1 4.44Å; F125-Y129 AromaticContact CD2-CE2 3.25Å; F125-Y129 HydrophobicContact CD2-CE2 3.25Å; F125-Y129 HydrophobicContact CD2-CG 4.19Å; F125-Y129 AromaticContact CD2-CZ 3.79Å; F125-Y129 HydrophobicContact CE1-CD2 4.49Å; F125-Y129 HydrophobicContact CE1-CG 4.37Å; F125-Y129 AromaticContact CE2-CD1 3.69Å; F125-Y129 HydrophobicContact CE2-CD1 3.69Å; F125-Y129 AromaticContact CE2-CD2 3.29Å; F125-Y129 HydrophobicContact CE2-CD2 3.29Å; F125-Y129 AromaticContact CE2-CE1 3.49Å; F125-Y129 HydrophobicContact CE2-CE1 3.49Å; F125-Y129 VanDerWaalsContact CE2-CE1 3.49Å; F125-Y129 AromaticContact CE2-CE2 3.12Å; F125-Y129 HydrophobicContact CE2-CE2 3.12Å; F125-Y129 AromaticContact CE2-CG 3.58Å; F125-Y129 HydrophobicContact CE2-CG 3.58Å; F125-Y129 AromaticContact CE2-CZ 3.21Å; F125-Y129 HydrophobicContact CG-CD2 4.12Å; F125-Y129 HydrophobicContact CG-CE2 4.27Å; F125-Y129 AromaticContact CZ-CD1 3.76Å; F125-Y129 HydrophobicContact CZ-CD1 3.76Å; F125-Y129 AromaticContact CZ-CD2 3.85Å; F125-Y129 HydrophobicContact CZ-CD2 3.85Å; F125-Y129 AromaticContact CZ-CE1 3.97Å; F125-Y129 HydrophobicContact CZ-CE1 3.97Å; F125-Y129 HydrophobicContact CZ-CE2 4.09Å; F125-Y129 AromaticContact CZ-CG 3.68Å; F125-Y129 HydrophobicContact CZ-CG 3.68Å; F125-Y129 WeakPolarHBondContact O-CD2 3.43Å; F125-Y129 PolarHBondContact O-N 3.2Å; F125-Y129 VanDerWaalsContact O-N 3.13Å; E127-Y129 VanDerWaalsContact C-N 3.33Å; Y129-D131 PolarHBondContact O-N 3.4Å; Y129-A132 PolarHBondContact O-N 2.57Å; Y129-A132 VanDerWaalsContact O-N 3.09Å
130	A	33.8	Very low	40.1	Very low	75 Å²	75	72 Å²	72	62%	0.62	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.8	-178.8	0	0	0	0	0	114.5	D126	D126-A130 WeakPolarHBondContact O-CA 3.06Å; D126-A130 VanDerWaalsContact O-CB 3.25Å; D126-A130 WeakPolarHBondContact O-CB 2.88Å; D126-A130 PolarHBondContact O-N 3.04Å
131	D	37.7	Very low	41.3	Very low	158 Å²	158	62.7 Å²	62.7	85%	0.845	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	3	-173.7	-58.2	-30.7	0	0	0	113.7	Y129 V133	Y129-D131 PolarHBondContact O-N 3.4Å; D131-V133 PolarHBondContact O-N 3.33Å
132	A	37.4	Very low	42.3	Very low	21 Å²	21	58.6 Å²	58.6	17%	0.174	35%	0.353	C	S	.	.			trans	-95.9	94.8	-176.8	0	0	0	0	0	110.9	I102 Y129 S134	I102-A132 HydrophobicContact CD1-CB 3.82Å; Y129-A132 PolarHBondContact O-N 2.57Å; Y129-A132 VanDerWaalsContact O-N 3.09Å; A132-S134 PolarHBondContact O-N 3.16Å; A132-S134 VanDerWaalsContact O-N 3.13Å
133	V	39.4	Very low	43.2	Very low	116 Å²	116	53 Å²	53	70%	0.703	31%	0.306	S	S	*	.			trans	-76.4	94.8	163.2	-172.1	0	0	0	0	106.6	D131 E135	D131-V133 PolarHBondContact O-N 3.33Å; V133-E135 PolarHBondContact O-N 2.87Å
134	S	46.4	Very low	44.4	Very low	43 Å²	43	56.1 Å²	56.1	30%	0.301	31%	0.312	S	S	.	.			trans	-78.8	109.9	-175.3	-154.1	0	0	0	0	110.6	M94 V95 A132 S136	M94-S134 VanDerWaalsContact CE-CB 3.45Å; M94-S134 WeakPolarHBondContact CE-OG 3.17Å; V95-S134 VanDerWaalsContact O-CA 3.26Å; V95-S134 WeakPolarHBondContact O-CA 3.38Å; A132-S134 PolarHBondContact O-N 3.16Å; A132-S134 VanDerWaalsContact O-N 3.13Å; S134-S136 PolarHBondContact OG-O 2.75Å
135	E	43.5	Very low	45.7	Very low	143 Å²	143	54.1 Å²	54.1	67%	0.668	30%	0.295	S	S	*	.	S	Bend	trans	-82.5	-29.2	173.3	-67.8	-175	168.5	0	0	111.6	V95 V133	V95-E135 PolarHBondContact O-N 3.47Å; V95-E135 VanDerWaalsContact O-N 3.15Å; V133-E135 PolarHBondContact O-N 2.87Å
136	S	46.1	Very low	46.9	Very low	18 Å²	18	58.2 Å²	58.2	13%	0.126	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156	178.3	52.6	0	0	0	0	110.7	V95 S134 T157 H161	V95-S136 WeakPolarHBondContact CB-OG 3.4Å; V95-S136 WeakPolarHBondContact CG2-OG 3.25Å; V95-S136 PolarHBondContact N-O 2.94Å; S134-S136 PolarHBondContact OG-O 2.75Å; S136-T157 VanDerWaalsContact CB-OG1 3.3Å; S136-T157 WeakPolarHBondContact CB-OG1 3.33Å; S136-H161 PolarHBondContact OG-CE1 2.74Å
137	M	50.2	Low	48.1	Very low	2 Å²	2	57.3 Å²	57.3	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	129.7	-177.8	-173.9	-170.9	76.5	0	0	110.6	F61 L93 M94 T139 R155	F61-M137 HydrophobicContact CB-CE 4.19Å; F61-M137 HydrophobicContact CD1-CE 3.4Å; F61-M137 HydrophobicContact CD1-SD 3.77Å; F61-M137 HydrophobicContact CD2-CE 4.08Å; F61-M137 HydrophobicContact CE1-CB 4.12Å; F61-M137 HydrophobicContact CE1-CE 3.73Å; F61-M137 HydrophobicContact CE1-SD 4.07Å; F61-M137 HydrophobicContact CE2-CE 4.4Å; F61-M137 HydrophobicContact CG-CE 3.63Å; F61-M137 HydrophobicContact CG-SD 4.5Å; F61-M137 HydrophobicContact CZ-CE 4.26Å; L93-M137 CarbonylContact O-C 3.53Å; L93-M137 WeakPolarHBondContact O-CA 3.37Å; L93-M137 VanDerWaalsContact O-CG 3.29Å; L93-M137 WeakPolarHBondContact O-CG 3.26Å; M94-M137 HydrophobicContact CG-CB 4.4Å; M94-M137 HydrophobicContact CG-CG 3.72Å; M94-M137 HydrophobicContact CG-SD 4.06Å; M137-T139 WeakPolarHBondContact CE-OG1 3.29Å; M137-R155 WeakPolarHBondContact O-CD 3.18Å; M137-R155 PolarHBondContact O-NH1 2.82Å
138	C	53.3	Low	48.7	Very low	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.8	170.3	-177.9	0	0	0	0	109.7	S92 L93 R155 H161 L165	S92-C138 CarbonylContact C-O 3.57Å; S92-C138 VanDerWaalsContact CA-O 3.28Å; S92-C138 WeakPolarHBondContact CA-O 3.21Å; L93-C138 HydrophobicContact CB-CB 4.29Å; L93-C138 PolarHBondContact N-O 3.02Å; L93-C138 PolarHBondContact O-N 3.28Å; C138-R155 CarbonylContact C-O 3.55Å; C138-R155 WeakPolarHBondContact CA-O 3.39Å; C138-H161 HydrophobicContact CB-CB 4.13Å; C138-L165 HydrophobicContact CB-CD2 4.43Å
139	T	53.5	Low	49.4	Very low	2 Å²	2	51.6 Å²	51.6	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.1	176.8	-64	0	0	0	0	109.9	T90 A91 S92 M137 V154 R155	T90-T139 HydrophobicContact CG2-CG2 4.15Å; A91-T139 CarbonylContact O-C 3.52Å; A91-T139 WeakPolarHBondContact O-CA 3.34Å; S92-T139 WeakPolarHBondContact OG-CG2 3.28Å; S92-T139 PolarHBondContact OG-OG1 2.73Å; M137-T139 WeakPolarHBondContact CE-OG1 3.29Å; T139-V154 CarbonylContact O-C 3.46Å; T139-V154 WeakPolarHBondContact O-CA 3.48Å; T139-R155 PolarHBondContact N-O 3.05Å; T139-R155 PolarHBondContact O-N 2.92Å
140	L	58.5	Low	50.2	Low	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.1	172	-61.8	174.9	0	0	0	109	F89 T90 A91 I152 Y153 V154 L165 L169 L206	F89-L140 HydrophobicContact CE2-CB 4.29Å; T90-L140 CarbonylContact C-O 3.39Å; T90-L140 WeakPolarHBondContact CA-O 3.25Å; T90-L140 WeakPolarHBondContact CG2-O 3.34Å; A91-L140 HydrophobicContact CB-CB 4.28Å; A91-L140 PolarHBondContact N-O 2.85Å; A91-L140 PolarHBondContact O-N 2.93Å; L140-I152 HydrophobicContact CD2-CG2 4.42Å; L140-Y153 CarbonylContact C-O 3.54Å; L140-Y153 VanDerWaalsContact CA-O 3.25Å; L140-Y153 WeakPolarHBondContact CA-O 3.39Å; L140-V154 HydrophobicContact CD2-CB 3.83Å; L140-V154 HydrophobicContact CD2-CG1 3.61Å; L140-V154 HydrophobicContact CD2-CG2 3.3Å; L140-L165 HydrophobicContact CD1-CD2 3.34Å; L140-L165 HydrophobicContact CD1-CG 3.83Å; L140-L165 HydrophobicContact CG-CD2 3.52Å; L140-L169 HydrophobicContact CD1-CD1 4Å; L140-L206 HydrophobicContact CD1-CD1 4.43Å; L140-L206 HydrophobicContact CD1-CD2 3.84Å
141	L	61.8	Low	50.9	Low	2 Å²	2	49 Å²	49	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.4	164.1	159.7	74.2	0	0	0	107.4	F69 L72 M73 V76 Y87 T90 V143 I152 Y153	F69-L141 HydrophobicContact CE2-CD1 4.35Å; L72-L141 HydrophobicContact CD1-CD2 4.49Å; L72-L141 HydrophobicContact CD2-CD2 3.76Å; L72-L141 HydrophobicContact CG-CD2 3.87Å; M73-L141 HydrophobicContact SD-CD1 4.3Å; M73-L141 HydrophobicContact SD-CD2 4.25Å; V76-L141 HydrophobicContact CG2-CD2 3.87Å; Y87-L141 HydrophobicContact CD2-CD1 3.8Å; Y87-L141 HydrophobicContact CE2-CD1 3.73Å; T90-L141 VanDerWaalsContact OG1-CD1 3.25Å; T90-L141 WeakPolarHBondContact OG1-CD1 3.42Å; L141-V143 HydrophobicContact CD1-CG1 3.96Å; L141-V143 HydrophobicContact CD2-CG1 4.33Å; L141-V143 HydrophobicContact CG-CG1 4.1Å; L141-I152 CarbonylContact O-C 3.55Å; L141-I152 WeakPolarHBondContact O-CA 3.46Å; L141-Y153 HydrophobicContact CB-CD2 4.28Å; L141-Y153 HydrophobicContact CD2-CD2 3.79Å; L141-Y153 HydrophobicContact CD2-CE2 4.37Å; L141-Y153 HydrophobicContact CD2-CG 4.21Å; L141-Y153 HydrophobicContact CG-CD2 3.82Å; L141-Y153 HydrophobicContact CG-CG 4.43Å; L141-Y153 PolarHBondContact N-O 3.26Å; L141-Y153 WeakPolarHBondContact O-CB 3.32Å; L141-Y153 WeakPolarHBondContact O-CD2 3.3Å; L141-Y153 PolarHBondContact O-N 2.84Å
142	A	57.2	Low	51.5	Low	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.3	168.5	0	0	0	0	0	111.8	I88 F89 H151 I152 L210	I88-A142 HydrophobicContact CB-CB 4.38Å; I88-A142 HydrophobicContact CD1-CB 4.44Å; I88-A142 PolarHBondContact N-O 3.23Å; F89-A142 HydrophobicContact CD1-CB 3.69Å; F89-A142 HydrophobicContact CE1-CB 3.11Å; F89-A142 HydrophobicContact CZ-CB 3.84Å; F89-A142 PolarHBondContact N-O 3.02Å; F89-A142 PolarHBondContact O-N 2.72Å; A142-H151 VanDerWaalsContact CA-O 3.26Å; A142-H151 WeakPolarHBondContact CA-O 3.24Å; A142-I152 HydrophobicContact CB-CG1 4.24Å; A142-L210 HydrophobicContact CB-CD1 4.15Å
143	V	54.1	Low	52.3	Low	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.9	176.2	-48.8	0	0	0	0	109.5	M73 V76 A82 N86 L141 M150 H151 Y153	M73-V143 HydrophobicContact CE-CG1 3.92Å; M73-V143 HydrophobicContact SD-CG1 4Å; V76-V143 HydrophobicContact CG1-CG1 4.16Å; V76-V143 HydrophobicContact CG1-CG2 3.99Å; A82-V143 HydrophobicContact CB-CB 4.16Å; A82-V143 HydrophobicContact CB-CG2 3.63Å; N86-V143 CarbonylContact O-C 3.47Å; N86-V143 VanDerWaalsContact O-CA 3.26Å; N86-V143 WeakPolarHBondContact O-CA 3.25Å; L141-V143 HydrophobicContact CD1-CG1 3.96Å; L141-V143 HydrophobicContact CD2-CG1 4.33Å; L141-V143 HydrophobicContact CG-CG1 4.1Å; V143-M150 CarbonylContact O-C 3.59Å; V143-M150 WeakPolarHBondContact O-CA 3.24Å; V143-H151 HydrophobicContact CG2-CB 3.88Å; V143-H151 PolarHBondContact N-O 3.39Å; V143-H151 PolarHBondContact O-N 3.2Å; V143-Y153 HydrophobicContact CG1-CE2 4.26Å; V143-Y153 HydrophobicContact CG2-CE2 3.66Å
144	K	56.6	Low	52.9	Low	106 Å²	106	37.4 Å²	37.4	46%	0.461	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.1	176.6	-170.9	177.4	177.2	-177.9	0	110.4	N86 I88 Q149	N86-K144 WeakPolarHBondContact CB-O 3.26Å; N86-K144 PolarHBondContact ND2-O 2.88Å; N86-K144 PolarHBondContact O-N 2.9Å; I88-K144 HydrophobicContact CD1-CB 4.04Å; I88-K144 HydrophobicContact CG1-CB 4.31Å; K144-Q149 CarbonylContact C-O 3.43Å; K144-Q149 VanDerWaalsContact CA-O 3.23Å; K144-Q149 WeakPolarHBondContact CA-O 3.43Å
145	S	57.7	Low	53.1	Low	11 Å²	11	37 Å²	37	8%	0.077	19%	0.19	C	C	.	.			trans	-60.5	163.3	174.7	44.3	0	0	0	0	111.9	D147 G148 Q149 H151	S145-D147 VanDerWaalsContact CB-OD1 3.28Å; S145-D147 WeakPolarHBondContact CB-OD1 3.26Å; S145-D147 PolarHBondContact O-N 2.88Å; S145-D147 PolarHBondContact OG-OD1 2.8Å; S145-G148 WeakPolarHBondContact O-CA 3.46Å; S145-G148 PolarHBondContact O-N 3.38Å; S145-Q149 PolarHBondContact N-O 2.8Å; S145-Q149 WeakPolarHBondContact OG-CB 3.49Å; S145-Q149 PolarHBondContact OG-N 2.78Å; S145-Q149 PolarHBondContact OG-O 3.13Å; S145-Q149 VanDerWaalsContact OG-O 3.09Å; S145-H151 WeakPolarHBondContact CB-NE2 3.39Å; S145-H151 PolarHBondContact OG-NE2 3.46Å
146	E	60.5	Low	53.7	Low	156 Å²	156	32.4 Å²	32.4	73%	0.729	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.6	-176.3	-63.5	-174.8	168.8	0	0	113.3	G148	E146-G148 PolarHBondContact O-N 2.93Å
147	D	58.3	Low	53.8	Low	109 Å²	109	35.3 Å²	35.3	58%	0.583	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.6	174.2	68.3	-9	0	0	0	113.7	S145 Q149	S145-D147 VanDerWaalsContact CB-OD1 3.28Å; S145-D147 WeakPolarHBondContact CB-OD1 3.26Å; S145-D147 PolarHBondContact O-N 2.88Å; S145-D147 PolarHBondContact OG-OD1 2.8Å; D147-Q149 PolarHBondContact OD1-N 3.08Å; D147-Q149 WeakPolarHBondContact OD2-CG 3.37Å
148	G	50.8	Low	53.8	Low	39 Å²	39	38.5 Å²	38.5	40%	0.402	21%	0.205	S	C	.	.	S	Bend	trans	88.6	1.5	178.3	0	0	0	0	0	115.1	S145 E146	S145-G148 WeakPolarHBondContact O-CA 3.46Å; S145-G148 PolarHBondContact O-N 3.38Å; E146-G148 PolarHBondContact O-N 2.93Å
149	Q	47.9	Very low	53.6	Low	48 Å²	48	43.3 Å²	43.3	22%	0.224	22%	0.223	C	C	.	.			trans	-70.5	144	174.5	-62	-174.2	0.2	0	0	111.3	D44 K144 S145 D147	D44-Q149 VanDerWaalsContact CB-NE2 3.27Å; K144-Q149 CarbonylContact C-O 3.43Å; K144-Q149 VanDerWaalsContact CA-O 3.23Å; K144-Q149 WeakPolarHBondContact CA-O 3.43Å; S145-Q149 PolarHBondContact N-O 2.8Å; S145-Q149 WeakPolarHBondContact OG-CB 3.49Å; S145-Q149 PolarHBondContact OG-N 2.78Å; S145-Q149 PolarHBondContact OG-O 3.13Å; S145-Q149 VanDerWaalsContact OG-O 3.09Å; D147-Q149 PolarHBondContact OD1-N 3.08Å; D147-Q149 WeakPolarHBondContact OD2-CG 3.37Å
150	M	48.8	Very low	53.4	Low	47 Å²	47	49.1 Å²	49.1	23%	0.232	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.5	179.4	-173.7	-178.9	-65.5	0	0	109.2	I88 V143 I152 L210	I88-M150 HydrophobicContact CD1-CE 3.84Å; I88-M150 HydrophobicContact CD1-CG 4.03Å; I88-M150 HydrophobicContact CD1-SD 4.3Å; V143-M150 CarbonylContact O-C 3.59Å; V143-M150 WeakPolarHBondContact O-CA 3.24Å; M150-I152 HydrophobicContact CG-CG1 4.35Å; M150-I152 HydrophobicContact SD-CD1 4.46Å; M150-I152 HydrophobicContact SD-CG1 4.49Å; M150-L210 HydrophobicContact CE-CB 4.17Å; M150-L210 HydrophobicContact SD-CB 3.89Å; M150-L210 HydrophobicContact SD-CD1 3.71Å; M150-L210 HydrophobicContact SD-CG 4.46Å
151	H	49.2	Very low	52.9	Low	6 Å²	6	49.7 Å²	49.7	3%	0.028	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127	176.5	-51.1	-100.1	0	0	0	108.2	T42 A142 V143 S145 Y153	T42-H151 PolarHBondContact OG1-ND1 3.44Å; A142-H151 VanDerWaalsContact CA-O 3.26Å; A142-H151 WeakPolarHBondContact CA-O 3.24Å; V143-H151 HydrophobicContact CG2-CB 3.88Å; V143-H151 PolarHBondContact N-O 3.39Å; V143-H151 PolarHBondContact O-N 3.2Å; S145-H151 WeakPolarHBondContact CB-NE2 3.39Å; S145-H151 PolarHBondContact OG-NE2 3.46Å; H151-Y153 HydrophobicContact CB-CE2 3.69Å
152	I	49.6	Very low	52.3	Low	17 Å²	17	50 Å²	50	9%	0.087	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.2	178.3	-54.9	172.4	0	0	0	107.6	F43 L140 L141 A142 M150 V154 R207 L210	F43-I152 HydrophobicContact CE2-CB 4.28Å; L140-I152 HydrophobicContact CD2-CG2 4.42Å; L141-I152 CarbonylContact O-C 3.55Å; L141-I152 WeakPolarHBondContact O-CA 3.46Å; A142-I152 HydrophobicContact CB-CG1 4.24Å; M150-I152 HydrophobicContact CG-CG1 4.35Å; M150-I152 HydrophobicContact SD-CD1 4.46Å; M150-I152 HydrophobicContact SD-CG1 4.49Å; I152-V154 HydrophobicContact CG2-CG2 4.02Å; I152-R207 HydrophobicContact CD1-CG 4.49Å; I152-L210 HydrophobicContact CD1-CD1 3.53Å; I152-L210 HydrophobicContact CG1-CD1 4.02Å
153	Y	54.7	Low	51.8	Low	1 Å²	1	51.9 Å²	51.9	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112.8	-177	-64.8	-83.6	0	0	0	107.3	F38 I40 V76 V80 L140 L141 V143 H151	F38-Y153 VanDerWaalsContact CE1-CB 3.48Å; F38-Y153 AromaticContact CE1-CD1 3.91Å; F38-Y153 HydrophobicContact CE1-CD1 3.91Å; F38-Y153 HydrophobicContact CE1-CG 4.18Å; F38-Y153 VanDerWaalsContact CZ-CB 3.47Å; I40-Y153 HydrophobicContact CB-CD1 4.37Å; I40-Y153 HydrophobicContact CB-CE1 4.11Å; I40-Y153 HydrophobicContact CD1-CE1 4.44Å; I40-Y153 HydrophobicContact CG1-CD1 4.14Å; I40-Y153 HydrophobicContact CG1-CE1 3.86Å; I40-Y153 HydrophobicContact CG2-CD1 4.08Å; I40-Y153 HydrophobicContact CG2-CE1 3.48Å; I40-Y153 VanDerWaalsContact CG2-CE1 3.48Å; V76-Y153 HydrophobicContact CG1-CE2 4.07Å; V76-Y153 HydrophobicContact CG2-CD1 4.47Å; V76-Y153 HydrophobicContact CG2-CD2 4.43Å; V76-Y153 HydrophobicContact CG2-CE1 3.99Å; V76-Y153 HydrophobicContact CG2-CE2 3.93Å; V80-Y153 WeakPolarHBondContact CG2-OH 3.37Å; L140-Y153 CarbonylContact C-O 3.54Å; L140-Y153 VanDerWaalsContact CA-O 3.25Å; L140-Y153 WeakPolarHBondContact CA-O 3.39Å; L141-Y153 HydrophobicContact CB-CD2 4.28Å; L141-Y153 HydrophobicContact CD2-CD2 3.79Å; L141-Y153 HydrophobicContact CD2-CE2 4.37Å; L141-Y153 HydrophobicContact CD2-CG 4.21Å; L141-Y153 HydrophobicContact CG-CD2 3.82Å; L141-Y153 HydrophobicContact CG-CG 4.43Å; L141-Y153 PolarHBondContact N-O 3.26Å; L141-Y153 WeakPolarHBondContact O-CB 3.32Å; L141-Y153 WeakPolarHBondContact O-CD2 3.3Å; L141-Y153 PolarHBondContact O-N 2.84Å; V143-Y153 HydrophobicContact CG1-CE2 4.26Å; V143-Y153 HydrophobicContact CG2-CE2 3.66Å; H151-Y153 HydrophobicContact CB-CE2 3.69Å
154	V	52	Low	51.6	Low	34 Å²	34	54.5 Å²	54.5	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.6	-180	-171	0	0	0	0	109	T139 L140 I152 D156	T139-V154 CarbonylContact O-C 3.46Å; T139-V154 WeakPolarHBondContact O-CA 3.48Å; L140-V154 HydrophobicContact CD2-CB 3.83Å; L140-V154 HydrophobicContact CD2-CG1 3.61Å; L140-V154 HydrophobicContact CD2-CG2 3.3Å; I152-V154 HydrophobicContact CG2-CG2 4.02Å; V154-D156 HydrophobicContact CG1-CB 4.41Å
155	R	52	Low	51.3	Low	34 Å²	34	49.5 Å²	49.5	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.3	160.3	-171.6	-96.2	-179.6	-177.9	-3.5	107.5	F38 M137 C138 T139 T157	F38-R155 HydrophobicContact CD2-CB 3.64Å; F38-R155 HydrophobicContact CD2-CG 4.12Å; F38-R155 HydrophobicContact CE2-CB 3.45Å; F38-R155 VanDerWaalsContact CE2-CB 3.45Å; F38-R155 HydrophobicContact CE2-CG 4.4Å; F38-R155 HydrophobicContact CZ-CB 4.33Å; M137-R155 WeakPolarHBondContact O-CD 3.18Å; M137-R155 PolarHBondContact O-NH1 2.82Å; C138-R155 CarbonylContact C-O 3.55Å; C138-R155 WeakPolarHBondContact CA-O 3.39Å; T139-R155 PolarHBondContact N-O 3.05Å; T139-R155 PolarHBondContact O-N 2.92Å; R155-T157 VanDerWaalsContact CZ-CG2 3.46Å
156	D	56	Low	50.9	Low	48 Å²	48	49 Å²	49	26%	0.257	25%	0.251	S	S	.	.			trans	-132.6	148.6	170.8	-159.5	-0.1	0	0	0	110.3	V154 D158 W159 C162	V154-D156 HydrophobicContact CG1-CB 4.41Å; D156-D158 VanDerWaalsContact CG-O 3.24Å; D156-D158 PolarHBondContact OD1-N 2.85Å; D156-D158 VanDerWaalsContact OD2-C 3.24Å; D156-W159 WeakPolarHBondContact OD2-CA 3.03Å; D156-C162 WeakPolarHBondContact OD2-CB 3.45Å
157	T	47.1	Very low	50.4	Low	78 Å²	78	46.4 Å²	46.4	48%	0.479	24%	0.243	S	C	.	.	S	Bend	trans	-108.3	-15.5	165.9	42.4	0	0	0	0	111.8	S136 R155	S136-T157 VanDerWaalsContact CB-OG1 3.3Å; S136-T157 WeakPolarHBondContact CB-OG1 3.33Å; R155-T157 VanDerWaalsContact CZ-CG2 3.46Å
158	D	50.6	Low	49.9	Very low	70 Å²	70	44.7 Å²	44.7	37%	0.374	23%	0.232	S	C	.	.			trans	-156.7	116.6	-176.2	-169.8	-18.9	0	0	0	111.4	D156 E160 H161	D156-D158 VanDerWaalsContact CG-O 3.24Å; D156-D158 PolarHBondContact OD1-N 2.85Å; D156-D158 VanDerWaalsContact OD2-C 3.24Å; D158-E160 PolarHBondContact O-N 3.03Å; D158-E160 PolarHBondContact OD1-N 3.3Å; D158-H161 VanDerWaalsContact O-CB 3.29Å; D158-H161 WeakPolarHBondContact O-CB 3.31Å; D158-H161 PolarHBondContact O-N 3.15Å; D158-H161 IonicContact OD2-CE1 3.96Å
159	W	49.8	Very low	49.9	Very low	101 Å²	101	43.2 Å²	43.2	38%	0.383	22%	0.215	S	C	.	.	H	α-helix	trans	-52.3	-30.1	-175.3	176.5	-101.6	0	0	0	114.2	D156 H161 C162 L163 V199	D156-W159 WeakPolarHBondContact OD2-CA 3.03Å; W159-H161 PolarHBondContact O-N 2.91Å; W159-C162 HydrophobicContact CE3-CB 4.21Å; W159-C162 HydrophobicContact CH2-CB 4.26Å; W159-C162 HydrophobicContact CZ3-CB 4.03Å; W159-C162 WeakPolarHBondContact O-CB 3.33Å; W159-C162 PolarHBondContact O-N 2.89Å; W159-L163 HydrophobicContact CZ2-CD2 3.62Å; W159-L163 HydrophobicContact CZ2-CG 3.84Å; W159-L163 PolarHBondContact O-N 2.88Å; W159-V199 HydrophobicContact CD2-CG2 3.93Å; W159-V199 HydrophobicContact CE3-CG2 4.27Å; W159-V199 HydrophobicContact CH2-CB 3.58Å; W159-V199 HydrophobicContact CH2-CG1 3.37Å; W159-V199 HydrophobicContact CH2-CG2 3.49Å; W159-V199 VanDerWaalsContact CH2-CG2 3.49Å; W159-V199 HydrophobicContact CZ2-CB 3.46Å; W159-V199 VanDerWaalsContact CZ2-CB 3.46Å; W159-V199 HydrophobicContact CZ2-CG1 3.85Å; W159-V199 HydrophobicContact CZ2-CG2 3.05Å; W159-V199 HydrophobicContact CZ3-CB 4.38Å; W159-V199 HydrophobicContact CZ3-CG1 3.88Å; W159-V199 HydrophobicContact CZ3-CG2 4.04Å
160	E	47.9	Very low	49.9	Very low	124 Å²	124	41.2 Å²	41.2	58%	0.579	21%	0.206	S	C	*	.	H	α-helix	trans	-60.3	-31.7	175.4	-65.1	-172.5	174.7	0	0	112.3	D158 Q164	D158-E160 PolarHBondContact O-N 3.03Å; D158-E160 PolarHBondContact OD1-N 3.3Å; E160-Q164 VanDerWaalsContact O-CG 3.27Å; E160-Q164 WeakPolarHBondContact O-CG 3.32Å; E160-Q164 PolarHBondContact O-N 3.5Å; E160-Q164 VanDerWaalsContact O-N 3.17Å
161	H	48.5	Very low	49.8	Very low	13 Å²	13	41.7 Å²	41.7	6%	0.06	22%	0.217	C	C	.	.	H	α-helix	trans	-74.5	-31.4	178.5	-59.4	147.3	0	0	0	112.9	L93 V95 F101 S136 C138 D158 W159 Q164 L165	L93-H161 HydrophobicContact CD2-CB 4.11Å; L93-H161 VanDerWaalsContact CD2-O 3.31Å; L93-H161 WeakPolarHBondContact CD2-O 3.19Å; V95-H161 WeakPolarHBondContact CG2-NE2 3.09Å; F101-H161 AromaticContact CE1-CD2 3.33Å; F101-H161 WeakPolarHBondContact CE1-CD2 3.38Å; F101-H161 AromaticContact CE1-NE2 3.64Å; F101-H161 AromaticContact CZ-CD2 3.93Å; S136-H161 PolarHBondContact OG-CE1 2.74Å; C138-H161 HydrophobicContact CB-CB 4.13Å; D158-H161 VanDerWaalsContact O-CB 3.29Å; D158-H161 WeakPolarHBondContact O-CB 3.31Å; D158-H161 PolarHBondContact O-N 3.15Å; D158-H161 IonicContact OD2-CE1 3.96Å; W159-H161 PolarHBondContact O-N 2.91Å; H161-Q164 PolarHBondContact CD2-OE1 2.88Å; H161-Q164 PolarHBondContact O-N 3.37Å; H161-L165 WeakPolarHBondContact O-CB 3.39Å; H161-L165 PolarHBondContact O-N 2.83Å
162	C	49.6	Very low	49.6	Very low	8 Å²	8	46.4 Å²	46.4	5%	0.054	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-44.1	173.3	-174.6	0	0	0	0	111.7	D156 W159 L165 S166	D156-C162 WeakPolarHBondContact OD2-CB 3.45Å; W159-C162 HydrophobicContact CE3-CB 4.21Å; W159-C162 HydrophobicContact CH2-CB 4.26Å; W159-C162 HydrophobicContact CZ3-CB 4.03Å; W159-C162 WeakPolarHBondContact O-CB 3.33Å; W159-C162 PolarHBondContact O-N 2.89Å; C162-L165 PolarHBondContact O-N 3.24Å; C162-S166 PolarHBondContact O-N 3.23Å; C162-S166 PolarHBondContact O-OG 2.94Å
163	L	47.3	Very low	49.4	Very low	40 Å²	40	46.5 Å²	46.5	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-47.7	175.3	-70	178.9	0	0	0	111	W159 L165 S166 D167 A202	W159-L163 HydrophobicContact CZ2-CD2 3.62Å; W159-L163 HydrophobicContact CZ2-CG 3.84Å; W159-L163 PolarHBondContact O-N 2.88Å; L163-L165 PolarHBondContact O-N 3.48Å; L163-S166 WeakPolarHBondContact O-CB 3.49Å; L163-S166 PolarHBondContact O-N 2.73Å; L163-D167 PolarHBondContact O-N 3Å; L163-A202 HydrophobicContact CD2-CB 3.52Å
164	Q	48.1	Very low	49.1	Very low	55 Å²	55	52.5 Å²	52.5	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-40.8	178.7	-70.5	165.1	-6.9	0	0	112.8	L93 F101 E160 H161 S166 D167 M168	L93-Q164 HydrophobicContact CD2-CB 4.16Å; F101-Q164 VanDerWaalsContact CE2-NE2 3.32Å; F101-Q164 VanDerWaalsContact CE2-OE1 3.28Å; E160-Q164 VanDerWaalsContact O-CG 3.27Å; E160-Q164 WeakPolarHBondContact O-CG 3.32Å; E160-Q164 PolarHBondContact O-N 3.5Å; E160-Q164 VanDerWaalsContact O-N 3.17Å; H161-Q164 PolarHBondContact CD2-OE1 2.88Å; H161-Q164 PolarHBondContact O-N 3.37Å; Q164-S166 VanDerWaalsContact C-N 3.27Å; Q164-S166 PolarHBondContact O-N 3.47Å; Q164-D167 PolarHBondContact O-N 3.37Å; Q164-M168 WeakPolarHBondContact O-CB 3.45Å; Q164-M168 VanDerWaalsContact O-CG 3.25Å; Q164-M168 WeakPolarHBondContact O-CG 3.34Å; Q164-M168 PolarHBondContact O-N 3.41Å
165	L	50.6	Low	48.8	Very low	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-39	175.1	-179.2	53.8	0	0	0	111.3	A91 L93 F103 C138 L140 H161 C162 L163 M168 L169	A91-L165 HydrophobicContact CB-CD1 4.29Å; L93-L165 HydrophobicContact CB-CB 4.42Å; L93-L165 HydrophobicContact CB-CD1 4.25Å; L93-L165 HydrophobicContact CB-CD2 4.4Å; L93-L165 HydrophobicContact CD2-CB 4.1Å; F103-L165 HydrophobicContact CD2-CD1 3.85Å; F103-L165 HydrophobicContact CE2-CD1 3.69Å; C138-L165 HydrophobicContact CB-CD2 4.43Å; L140-L165 HydrophobicContact CD1-CD2 3.34Å; L140-L165 HydrophobicContact CD1-CG 3.83Å; L140-L165 HydrophobicContact CG-CD2 3.52Å; H161-L165 WeakPolarHBondContact O-CB 3.39Å; H161-L165 PolarHBondContact O-N 2.83Å; C162-L165 PolarHBondContact O-N 3.24Å; L163-L165 PolarHBondContact O-N 3.48Å; L165-M168 PolarHBondContact O-N 2.82Å; L165-L169 HydrophobicContact CD1-CD1 4.26Å; L165-L169 HydrophobicContact CD1-CG 4.34Å; L165-L169 HydrophobicContact CG-CD1 4.14Å; L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 VanDerWaalsContact O-CG 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.24Å; L165-L169 PolarHBondContact O-N 3.08Å
166	S	50.9	Low	48.3	Very low	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-46.6	176.4	-55.9	0	0	0	0	111.6	C162 L163 Q164 M168 L169 V170 L206	C162-S166 PolarHBondContact O-N 3.23Å; C162-S166 PolarHBondContact O-OG 2.94Å; L163-S166 WeakPolarHBondContact O-CB 3.49Å; L163-S166 PolarHBondContact O-N 2.73Å; Q164-S166 VanDerWaalsContact C-N 3.27Å; Q164-S166 PolarHBondContact O-N 3.47Å; S166-M168 VanDerWaalsContact C-N 3.33Å; S166-M168 PolarHBondContact O-N 3.18Å; S166-L169 PolarHBondContact O-N 3.42Å; S166-V170 WeakPolarHBondContact O-CG2 3.31Å; S166-V170 PolarHBondContact O-N 3.4Å; S166-L206 VanDerWaalsContact OG-CD1 3.32Å; S166-L206 WeakPolarHBondContact OG-CD1 2.93Å; S166-L206 WeakPolarHBondContact OG-CG 3.49Å
167	D	49	Very low	47.6	Very low	103 Å²	103	57.6 Å²	57.6	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-60.7	-41.4	175.5	-76.8	-18.5	0	0	0	112.3	L163 Q164 V170 A171	L163-D167 PolarHBondContact O-N 3Å; Q164-D167 PolarHBondContact O-N 3.37Å; D167-V170 WeakPolarHBondContact O-CB 3.24Å; D167-V170 PolarHBondContact O-N 2.84Å; D167-A171 PolarHBondContact O-N 3.43Å
168	M	48.3	Very low	47.4	Very low	73 Å²	73	63.4 Å²	63.4	36%	0.36	33%	0.327	S	S	.	.	H	α-helix	trans	-66.3	-38.7	177	-71.2	-171.5	78.6	0	0	112.3	L93 F103 Q164 L165 S166 V170 A171 Y172	L93-M168 HydrophobicContact CD1-SD 3.81Å; F103-M168 HydrophobicContact CB-CE 3.24Å; F103-M168 HydrophobicContact CB-SD 3.9Å; F103-M168 HydrophobicContact CD1-CE 4.47Å; F103-M168 HydrophobicContact CD2-CB 4.46Å; F103-M168 HydrophobicContact CD2-CE 4.17Å; F103-M168 HydrophobicContact CD2-SD 4.31Å; F103-M168 HydrophobicContact CG-CE 3.74Å; F103-M168 HydrophobicContact CG-SD 4.39Å; Q164-M168 WeakPolarHBondContact O-CB 3.45Å; Q164-M168 VanDerWaalsContact O-CG 3.25Å; Q164-M168 WeakPolarHBondContact O-CG 3.34Å; Q164-M168 PolarHBondContact O-N 3.41Å; L165-M168 PolarHBondContact O-N 2.82Å; S166-M168 VanDerWaalsContact C-N 3.33Å; S166-M168 PolarHBondContact O-N 3.18Å; M168-V170 VanDerWaalsContact C-N 3.34Å; M168-A171 PolarHBondContact O-N 3.04Å; M168-Y172 PolarHBondContact O-N 3.42Å
169	L	49.5	Very low	47.1	Very low	7 Å²	7	63.3 Å²	63.3	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-38.8	174.7	-74.3	167.2	0	0	0	111.6	L106 L140 L165 S166 Y172 L173 L206	L106-L169 HydrophobicContact CD1-CD2 3.39Å; L106-L169 HydrophobicContact CD2-CD2 4.32Å; L106-L169 HydrophobicContact CG-CD2 3.83Å; L140-L169 HydrophobicContact CD1-CD1 4Å; L165-L169 HydrophobicContact CD1-CD1 4.26Å; L165-L169 HydrophobicContact CD1-CG 4.34Å; L165-L169 HydrophobicContact CG-CD1 4.14Å; L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 VanDerWaalsContact O-CG 3.24Å; L165-L169 WeakPolarHBondContact O-CG 3.24Å; L165-L169 PolarHBondContact O-N 3.08Å; S166-L169 PolarHBondContact O-N 3.42Å; L169-Y172 PolarHBondContact O-N 3.27Å; L169-L173 PolarHBondContact O-N 3.01Å; L169-L206 HydrophobicContact CD1-CD2 3.2Å; L169-L206 HydrophobicContact CG-CD2 4.48Å
170	V	48.9	Very low	46.7	Very low	7 Å²	7	63.3 Å²	63.3	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-48.6	171.3	-179.7	0	0	0	0	111.1	S166 D167 M168 Y172 L173 K174 L186 I205	S166-V170 WeakPolarHBondContact O-CG2 3.31Å; S166-V170 PolarHBondContact O-N 3.4Å; D167-V170 WeakPolarHBondContact O-CB 3.24Å; D167-V170 PolarHBondContact O-N 2.84Å; M168-V170 VanDerWaalsContact C-N 3.34Å; V170-Y172 VanDerWaalsContact C-N 3.3Å; V170-Y172 PolarHBondContact O-N 3.25Å; V170-L173 PolarHBondContact O-N 2.85Å; V170-K174 HydrophobicContact CG1-CD 4.22Å; V170-K174 HydrophobicContact CG1-CG 4.33Å; V170-K174 WeakPolarHBondContact O-CG 3.24Å; V170-K174 PolarHBondContact O-N 2.91Å; V170-L186 HydrophobicContact CG1-CD1 3.49Å; V170-L186 VanDerWaalsContact CG1-CD1 3.49Å; V170-L186 HydrophobicContact CG1-CD2 3.88Å; V170-L186 HydrophobicContact CG1-CG 4.29Å; V170-L186 HydrophobicContact CG2-CD2 4.45Å; V170-I205 HydrophobicContact CG2-CB 4.28Å; V170-I205 HydrophobicContact CG2-CD1 4.34Å; V170-I205 HydrophobicContact CG2-CG1 4.36Å; V170-I205 HydrophobicContact CG2-CG2 3.03Å
171	A	46.7	Very low	46.5	Very low	57 Å²	57	60.8 Å²	60.8	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-42.2	-179.4	0	0	0	0	0	111.3	D167 M168 K174 A175	D167-A171 PolarHBondContact O-N 3.43Å; M168-A171 PolarHBondContact O-N 3.04Å; A171-K174 PolarHBondContact O-N 3.29Å; A171-A175 WeakPolarHBondContact O-CB 3.2Å; A171-A175 PolarHBondContact O-N 3Å
172	Y	44.7	Very low	46.1	Very low	105 Å²	105	60.4 Å²	60.4	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-45.8	175.1	179.7	-91	0	0	0	112	L106 M168 L169 V170 A175 N176	L106-Y172 HydrophobicContact CD1-CD1 3.55Å; L106-Y172 HydrophobicContact CD1-CD2 4.33Å; L106-Y172 HydrophobicContact CD1-CE1 3.82Å; L106-Y172 HydrophobicContact CD1-CG 3.83Å; M168-Y172 PolarHBondContact O-N 3.42Å; L169-Y172 PolarHBondContact O-N 3.27Å; V170-Y172 VanDerWaalsContact C-N 3.3Å; V170-Y172 PolarHBondContact O-N 3.25Å; Y172-A175 PolarHBondContact O-N 3.34Å; Y172-N176 WeakPolarHBondContact CD2-ND2 3.33Å; Y172-N176 HydrophobicContact CE1-CB 4.38Å; Y172-N176 VanDerWaalsContact CE2-ND2 3.26Å; Y172-N176 WeakPolarHBondContact CE2-ND2 3.44Å; Y172-N176 WeakPolarHBondContact O-CB 3.3Å; Y172-N176 PolarHBondContact O-N 3.04Å; Y172-N176 PolarHBondContact O-ND2 2.77Å
173	L	45.4	Very low	45.7	Very low	18 Å²	18	63 Å²	63	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-69.8	-36.8	178.8	-75.6	167.1	0	0	0	112.8	L169 V170 A175 N176 C177 L182 C209	L169-L173 PolarHBondContact O-N 3.01Å; V170-L173 PolarHBondContact O-N 2.85Å; L173-A175 PolarHBondContact O-N 3.22Å; L173-N176 PolarHBondContact O-N 3.43Å; L173-C177 VanDerWaalsContact CD2-SG 3.59Å; L173-C177 WeakPolarHBondContact O-CA 3.5Å; L173-C177 VanDerWaalsContact O-CB 3.25Å; L173-C177 WeakPolarHBondContact O-CB 3.46Å; L173-C177 PolarHBondContact O-N 3.32Å; L173-L182 HydrophobicContact CB-CD2 4.17Å; L173-C209 HydrophobicContact CD1-CB 3.13Å; L173-C209 WeakPolarHBondContact CD1-SG 3.47Å
174	K	47.8	Very low	45.6	Very low	127 Å²	127	66.3 Å²	66.3	55%	0.552	37%	0.369	S	S	*	.	H	α-helix	trans	-57.5	-38.6	170.2	-77.8	-178.5	176.5	175.7	0	112.1	V170 A171 L182 L186	V170-K174 HydrophobicContact CG1-CD 4.22Å; V170-K174 HydrophobicContact CG1-CG 4.33Å; V170-K174 WeakPolarHBondContact O-CG 3.24Å; V170-K174 PolarHBondContact O-N 2.91Å; A171-K174 PolarHBondContact O-N 3.29Å; K174-L182 HydrophobicContact CB-CD2 4.42Å; K174-L182 HydrophobicContact CG-CD2 3.55Å; K174-L182 HydrophobicContact CG-CG 4.45Å; K174-L186 HydrophobicContact CD-CD1 4.41Å
175	A	46	Very low	45.4	Very low	82 Å²	82	65.7 Å²	65.7	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-75.9	-30.6	-179	0	0	0	0	0	113.2	A171 Y172 L173	A171-A175 WeakPolarHBondContact O-CB 3.2Å; A171-A175 PolarHBondContact O-N 3Å; Y172-A175 PolarHBondContact O-N 3.34Å; L173-A175 PolarHBondContact O-N 3.22Å
176	N	42.2	Very low	45.1	Very low	99 Å²	99	67.2 Å²	67.2	53%	0.529	38%	0.377	S	S	.	.	H	α-helix	trans	-110.8	-10.5	-171.7	-67.5	-75.9	0	0	0	114.6	Y172 L173	Y172-N176 WeakPolarHBondContact CD2-ND2 3.33Å; Y172-N176 HydrophobicContact CE1-CB 4.38Å; Y172-N176 VanDerWaalsContact CE2-ND2 3.26Å; Y172-N176 WeakPolarHBondContact CE2-ND2 3.44Å; Y172-N176 WeakPolarHBondContact O-CB 3.3Å; Y172-N176 PolarHBondContact O-N 3.04Å; Y172-N176 PolarHBondContact O-ND2 2.77Å; L173-N176 PolarHBondContact O-N 3.43Å
177	C	40.4	Very low	44.8	Very low	43 Å²	43	69.6 Å²	69.6	29%	0.291	40%	0.397	S	S	.	.			trans	-131	116.3	-178	-53.2	0	0	0	0	109.6	L173 M179	L173-C177 VanDerWaalsContact CD2-SG 3.59Å; L173-C177 WeakPolarHBondContact O-CA 3.5Å; L173-C177 VanDerWaalsContact O-CB 3.25Å; L173-C177 WeakPolarHBondContact O-CB 3.46Å; L173-C177 PolarHBondContact O-N 3.32Å; C177-M179 VanDerWaalsContact C-N 3.35Å; C177-M179 HydrophobicContact CB-CG 3.57Å; C177-M179 HydrophobicContact CB-SD 4.04Å; C177-M179 PolarHBondContact O-N 2.94Å
178	E	43.3	Very low	44.6	Very low	200 Å²	200	67.8 Å²	67.8	94%	0.935	40%	0.396	S	S	*	.			trans	-71	89.3	170.2	-68.5	-172.7	168.5	0	0	109.1
179	M	45.1	Very low	44.3	Very low	67 Å²	67	66 Å²	66	33%	0.33	39%	0.388	S	S	.	.			trans	-124.6	106	-174	-56.4	-145.4	90.8	0	0	112.7	C177 T181 L182 L212	C177-M179 VanDerWaalsContact C-N 3.35Å; C177-M179 HydrophobicContact CB-CG 3.57Å; C177-M179 HydrophobicContact CB-SD 4.04Å; C177-M179 PolarHBondContact O-N 2.94Å; M179-T181 PolarHBondContact O-N 2.58Å; M179-L182 HydrophobicContact CB-CB 4Å; M179-L182 PolarHBondContact O-N 2.98Å; M179-L212 HydrophobicContact CE-CD2 3.71Å; M179-L212 HydrophobicContact SD-CB 3.93Å; M179-L212 HydrophobicContact SD-CD1 3.68Å; M179-L212 HydrophobicContact SD-CD2 3.81Å; M179-L212 HydrophobicContact SD-CG 3.99Å
180	P	41.6	Very low	43.8	Very low	102 Å²	102	69.9 Å²	69.9	66%	0.662	42%	0.416	S	S	*	.	H	α-helix	trans	-57.2	-37.1	170.7	-22.2	32	0	0	0	112.3	L182 A183 D184	P180-L182 VanDerWaalsContact C-N 3.31Å; P180-L182 PolarHBondContact O-N 3.27Å; P180-A183 WeakPolarHBondContact O-CB 3.4Å; P180-A183 PolarHBondContact O-N 3.13Å; P180-D184 PolarHBondContact O-N 3.25Å
181	T	42.9	Very low	43.3	Very low	70 Å²	70	75.2 Å²	75.2	43%	0.429	45%	0.448	S	S	.	.	H	α-helix	trans	-65.8	-27.1	-179.8	34.4	0	0	0	0	114.2	M179 V185	M179-T181 PolarHBondContact O-N 2.58Å; T181-V185 VanDerWaalsContact O-CG2 3.28Å; T181-V185 WeakPolarHBondContact O-CG2 3.5Å; T181-V185 PolarHBondContact O-N 2.8Å
182	L	40.4	Very low	43	Very low	6 Å²	6	79 Å²	79	3%	0.031	46%	0.457	C	S	.	.	H	α-helix	trans	-73.4	-36	177	-170.7	65.1	0	0	0	110.6	L173 K174 M179 P180 L186 L208	L173-L182 HydrophobicContact CB-CD2 4.17Å; K174-L182 HydrophobicContact CB-CD2 4.42Å; K174-L182 HydrophobicContact CG-CD2 3.55Å; K174-L182 HydrophobicContact CG-CG 4.45Å; M179-L182 HydrophobicContact CB-CB 4Å; M179-L182 PolarHBondContact O-N 2.98Å; P180-L182 VanDerWaalsContact C-N 3.31Å; P180-L182 PolarHBondContact O-N 3.27Å; L182-L186 HydrophobicContact CD1-CD1 4.29Å; L182-L186 HydrophobicContact CD1-CG 4.5Å; L182-L186 HydrophobicContact CG-CD1 3.89Å; L182-L186 VanDerWaalsContact O-CB 3.27Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CD1 3.29Å; L182-L186 WeakPolarHBondContact O-CD1 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.25Å; L182-L186 PolarHBondContact O-N 2.82Å; L182-L208 HydrophobicContact CD1-CD2 3.91Å
183	A	40.9	Very low	42.4	Very low	61 Å²	61	82 Å²	82	50%	0.504	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-40.6	174.3	0	0	0	0	0	111.6	P180 A187	P180-A183 WeakPolarHBondContact O-CB 3.4Å; P180-A183 PolarHBondContact O-N 3.13Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.43Å
184	D	45.1	Very low	41.6	Very low	110 Å²	110	84.4 Å²	84.4	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-68.8	-40.4	178.3	-66.5	-31.7	0	0	0	112.6	P180 A187 A188	P180-D184 PolarHBondContact O-N 3.25Å; D184-A187 PolarHBondContact O-N 3.02Å; D184-A188 WeakPolarHBondContact O-CB 3.29Å; D184-A188 PolarHBondContact O-N 3.36Å
185	V	43.3	Very low	40.7	Very low	43 Å²	43	86.2 Å²	86.2	26%	0.261	52%	0.524	S	S	.	.	H	α-helix	trans	-68.4	-42.4	176.1	174.6	0	0	0	0	110.8	T181 A187 A188 L189 L208	T181-V185 VanDerWaalsContact O-CG2 3.28Å; T181-V185 WeakPolarHBondContact O-CG2 3.5Å; T181-V185 PolarHBondContact O-N 2.8Å; V185-A187 VanDerWaalsContact C-N 3.33Å; V185-A187 PolarHBondContact O-N 2.86Å; V185-A188 WeakPolarHBondContact O-CB 3.39Å; V185-A188 PolarHBondContact O-N 3.04Å; V185-L189 HydrophobicContact CG1-CD1 3.84Å; V185-L189 HydrophobicContact CG1-CG 4.45Å; V185-L189 WeakPolarHBondContact O-CD1 3.09Å; V185-L189 WeakPolarHBondContact O-CG 3.5Å; V185-L189 PolarHBondContact O-N 3.49Å; V185-L208 HydrophobicContact CB-CD2 3.75Å; V185-L208 HydrophobicContact CG1-CD2 3.71Å; V185-L208 HydrophobicContact CG2-CD2 3.79Å
186	L	45.3	Very low	40.1	Very low	32 Å²	32	89.4 Å²	89.4	17%	0.168	53%	0.53	C	S	.	.	H	α-helix	trans	-68.6	-32.8	175.8	-66.6	169.1	0	0	0	112.6	V170 K174 L182 L189 S190 I205	V170-L186 HydrophobicContact CG1-CD1 3.49Å; V170-L186 VanDerWaalsContact CG1-CD1 3.49Å; V170-L186 HydrophobicContact CG1-CD2 3.88Å; V170-L186 HydrophobicContact CG1-CG 4.29Å; V170-L186 HydrophobicContact CG2-CD2 4.45Å; K174-L186 HydrophobicContact CD-CD1 4.41Å; L182-L186 HydrophobicContact CD1-CD1 4.29Å; L182-L186 HydrophobicContact CD1-CG 4.5Å; L182-L186 HydrophobicContact CG-CD1 3.89Å; L182-L186 VanDerWaalsContact O-CB 3.27Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CD1 3.29Å; L182-L186 WeakPolarHBondContact O-CD1 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.25Å; L182-L186 PolarHBondContact O-N 2.82Å; L186-L189 HydrophobicContact CD2-CD1 4.26Å; L186-L189 PolarHBondContact O-N 3.22Å; L186-S190 VanDerWaalsContact O-CB 3.3Å; L186-S190 WeakPolarHBondContact O-CB 3.23Å; L186-S190 PolarHBondContact O-N 2.81Å; L186-S190 PolarHBondContact O-OG 3.01Å; L186-I205 HydrophobicContact CD2-CD1 4.12Å; L186-I205 HydrophobicContact CD2-CG1 4.29Å
187	A	44.1	Very low	39.8	Very low	49 Å²	49	86.5 Å²	86.5	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-64.4	-42	172.3	0	0	0	0	0	111	A183 D184 V185 L189 S190	A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.43Å; D184-A187 PolarHBondContact O-N 3.02Å; V185-A187 VanDerWaalsContact C-N 3.33Å; V185-A187 PolarHBondContact O-N 2.86Å; A187-L189 VanDerWaalsContact C-N 3.31Å; A187-L189 PolarHBondContact O-N 3.29Å; A187-S190 WeakPolarHBondContact CA-OG 3.33Å; A187-S190 PolarHBondContact O-N 3.01Å; A187-S190 PolarHBondContact O-OG 3.48Å
188	A	45.7	Very low	39.8	Very low	66 Å²	66	86.7 Å²	86.7	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-39.5	174.8	0	0	0	0	0	111.9	D184 V185 T191	D184-A188 WeakPolarHBondContact O-CB 3.29Å; D184-A188 PolarHBondContact O-N 3.36Å; V185-A188 WeakPolarHBondContact O-CB 3.39Å; V185-A188 PolarHBondContact O-N 3.04Å; A188-T191 PolarHBondContact O-OG1 3.4Å
189	L	41.7	Very low	39.5	Very low	36 Å²	36	79.7 Å²	79.7	19%	0.188	50%	0.496	C	S	.	.	H	α-helix	trans	-72.2	-33.8	177.4	-63.3	163.9	0	0	0	112.5	V185 L186 A187 T191 E201 I205	V185-L189 HydrophobicContact CG1-CD1 3.84Å; V185-L189 HydrophobicContact CG1-CG 4.45Å; V185-L189 WeakPolarHBondContact O-CD1 3.09Å; V185-L189 WeakPolarHBondContact O-CG 3.5Å; V185-L189 PolarHBondContact O-N 3.49Å; L186-L189 HydrophobicContact CD2-CD1 4.26Å; L186-L189 PolarHBondContact O-N 3.22Å; A187-L189 VanDerWaalsContact C-N 3.31Å; A187-L189 PolarHBondContact O-N 3.29Å; L189-T191 PolarHBondContact O-N 3.17Å; L189-T191 VanDerWaalsContact O-N 3.12Å; L189-E201 HydrophobicContact CD2-CB 3.87Å; L189-E201 HydrophobicContact CD2-CG 3.61Å; L189-I205 HydrophobicContact CD1-CD1 3.76Å; L189-I205 HydrophobicContact CD1-CG1 3.53Å
190	S	38.9	Very low	39.3	Very low	88 Å²	88	79.4 Å²	79.4	62%	0.615	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.5	-178	74.8	0	0	0	0	115.7	L186 A187	L186-S190 VanDerWaalsContact O-CB 3.3Å; L186-S190 WeakPolarHBondContact O-CB 3.23Å; L186-S190 PolarHBondContact O-N 2.81Å; L186-S190 PolarHBondContact O-OG 3.01Å; A187-S190 WeakPolarHBondContact CA-OG 3.33Å; A187-S190 PolarHBondContact O-N 3.01Å; A187-S190 PolarHBondContact O-OG 3.48Å
191	T	38.9	Very low	39.3	Very low	118 Å²	118	76 Å²	76	72%	0.724	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.2	-178.9	57.8	0	0	0	0	114	A188 L189	A188-T191 PolarHBondContact O-OG1 3.4Å; L189-T191 PolarHBondContact O-N 3.17Å; L189-T191 VanDerWaalsContact O-N 3.12Å
192	Q	39.9	Very low	39.3	Very low	138 Å²	138	72.9 Å²	72.9	65%	0.645	45%	0.452	S	S	*	.	S	Bend	trans	-96.9	134.6	169.5	-58.4	-158.6	11.9	0	0	110.2	G194	Q192-G194 PolarHBondContact O-N 3.42Å
193	N	32.3	Very low	39.5	Very low	167 Å²	167	74.6 Å²	74.6	89%	0.893	46%	0.462	S	S	*	.			trans	-42.2	132.6	-172.1	-81.3	-38.2	0	0	0	114.1
194	G	28.4	Very low	39.8	Very low	68 Å²	68	74.4 Å²	74.4	70%	0.701	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	154.9	-170.2	0	0	0	0	0	116.9	Q192	Q192-G194 PolarHBondContact O-N 3.42Å
195	N	28.6	Very low	39.9	Very low	166 Å²	166	70 Å²	70	89%	0.888	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-5.3	167.6	-64.4	-5.2	0	0	0	119.3
196	N	32.6	Very low	40.2	Very low	148 Å²	148	68.4 Å²	68.4	79%	0.791	42%	0.42	S	S	*	.			trans	-136.8	75.7	172.4	-76.5	-17.2	0	0	0	110.5	S198	N196-S198 PolarHBondContact O-N 2.85Å
197	G	36.7	Very low	40.4	Very low	39 Å²	39	70.8 Å²	70.8	40%	0.402	43%	0.427	S	S	.	.			trans	-54.1	125.7	170.2	0	0	0	0	0	109	E201	G197-E201 WeakPolarHBondContact CA-OE2 3.49Å
198	S	39.5	Very low	40.5	Very low	47 Å²	47	70.3 Å²	70.3	33%	0.329	42%	0.417	S	S	.	.			trans	-68.5	151.7	-178.5	71	0	0	0	0	109.8	N196 D200 E201 A202	N196-S198 PolarHBondContact O-N 2.85Å; S198-D200 PolarHBondContact O-N 2.93Å; S198-E201 PolarHBondContact N-OE2 3.38Å; S198-E201 WeakPolarHBondContact O-CA 3.2Å; S198-E201 WeakPolarHBondContact O-CB 3.22Å; S198-E201 PolarHBondContact O-N 3.34Å; S198-E201 WeakPolarHBondContact OG-CG 3.27Å; S198-E201 PolarHBondContact OG-N 2.93Å; S198-A202 PolarHBondContact O-N 2.97Å
199	V	37.2	Very low	40.5	Very low	52 Å²	52	67.3 Å²	67.3	32%	0.315	39%	0.392	S	S	.	.	H	α-helix	trans	-38.6	-40.5	167.6	170.9	0	0	0	0	112.1	W159 E201 A202 I203	W159-V199 HydrophobicContact CD2-CG2 3.93Å; W159-V199 HydrophobicContact CE3-CG2 4.27Å; W159-V199 HydrophobicContact CH2-CB 3.58Å; W159-V199 HydrophobicContact CH2-CG1 3.37Å; W159-V199 HydrophobicContact CH2-CG2 3.49Å; W159-V199 VanDerWaalsContact CH2-CG2 3.49Å; W159-V199 HydrophobicContact CZ2-CB 3.46Å; W159-V199 VanDerWaalsContact CZ2-CB 3.46Å; W159-V199 HydrophobicContact CZ2-CG1 3.85Å; W159-V199 HydrophobicContact CZ2-CG2 3.05Å; W159-V199 HydrophobicContact CZ3-CB 4.38Å; W159-V199 HydrophobicContact CZ3-CG1 3.88Å; W159-V199 HydrophobicContact CZ3-CG2 4.04Å; V199-E201 PolarHBondContact O-N 3.2Å; V199-A202 PolarHBondContact O-N 2.68Å; V199-I203 HydrophobicContact CG1-CD1 3.68Å; V199-I203 WeakPolarHBondContact O-CB 3.46Å; V199-I203 VanDerWaalsContact O-CG1 3.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.28Å; V199-I203 PolarHBondContact O-N 2.97Å
200	D	40.7	Very low	40.7	Very low	62 Å²	62	66 Å²	66	33%	0.332	39%	0.386	S	S	.	.	H	α-helix	trans	-68.8	-36.8	-176.1	-56	-15.6	0	0	0	112.3	L8 S198 V204	L8-D200 VanDerWaalsContact CD1-CA 3.41Å; L8-D200 HydrophobicContact CD1-CB 3.58Å; L8-D200 WeakPolarHBondContact CD1-OD1 3.35Å; L8-D200 HydrophobicContact CD2-CB 3.89Å; L8-D200 VanDerWaalsContact CD2-CG 3.48Å; L8-D200 HydrophobicContact CG-CB 4.16Å; L8-D200 VanDerWaalsContact CG-OD1 3.23Å; L8-D200 WeakPolarHBondContact CG-OD1 3.49Å; S198-D200 PolarHBondContact O-N 2.93Å; D200-V204 WeakPolarHBondContact O-CB 3.46Å; D200-V204 WeakPolarHBondContact O-CG2 3.45Å; D200-V204 PolarHBondContact O-N 3.24Å
201	E	43	Very low	41	Very low	29 Å²	29	69.6 Å²	69.6	14%	0.136	39%	0.386	C	S	.	.	H	α-helix	trans	-70.7	-42.2	177.7	-65.5	174.6	149.6	0	0	111.4	L189 G197 S198 V199 V204 I205	L189-E201 HydrophobicContact CD2-CB 3.87Å; L189-E201 HydrophobicContact CD2-CG 3.61Å; G197-E201 WeakPolarHBondContact CA-OE2 3.49Å; S198-E201 PolarHBondContact N-OE2 3.38Å; S198-E201 WeakPolarHBondContact O-CA 3.2Å; S198-E201 WeakPolarHBondContact O-CB 3.22Å; S198-E201 PolarHBondContact O-N 3.34Å; S198-E201 WeakPolarHBondContact OG-CG 3.27Å; S198-E201 PolarHBondContact OG-N 2.93Å; V199-E201 PolarHBondContact O-N 3.2Å; E201-V204 PolarHBondContact O-N 3.01Å; E201-I205 WeakPolarHBondContact O-CB 3.13Å; E201-I205 WeakPolarHBondContact O-CD1 3.37Å; E201-I205 WeakPolarHBondContact O-CG1 3.32Å; E201-I205 PolarHBondContact O-N 2.96Å
202	A	42.5	Very low	41.1	Very low	5 Å²	5	65.4 Å²	65.4	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-43.3	175.2	0	0	0	0	0	112	L163 S198 V199 I205 L206	L163-A202 HydrophobicContact CD2-CB 3.52Å; S198-A202 PolarHBondContact O-N 2.97Å; V199-A202 PolarHBondContact O-N 2.68Å; A202-I205 WeakPolarHBondContact O-CB 3.25Å; A202-I205 PolarHBondContact O-N 3.22Å; A202-L206 WeakPolarHBondContact O-CB 3.08Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.35Å
203	I	44.7	Very low	40.9	Very low	43 Å²	43	61.8 Å²	61.8	22%	0.221	35%	0.352	C	S	.	.	H	α-helix	trans	-67.2	-39.9	176.3	-67.9	170.6	0	0	0	111.6	L8 V199 L206 R207	L8-I203 HydrophobicContact CD1-CB 4.22Å; L8-I203 HydrophobicContact CD1-CD1 4.15Å; L8-I203 HydrophobicContact CD1-CG2 4.26Å; V199-I203 HydrophobicContact CG1-CD1 3.68Å; V199-I203 WeakPolarHBondContact O-CB 3.46Å; V199-I203 VanDerWaalsContact O-CG1 3.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.28Å; V199-I203 PolarHBondContact O-N 2.97Å; I203-L206 PolarHBondContact O-N 3.26Å; I203-R207 HydrophobicContact CG2-CG 4.48Å; I203-R207 WeakPolarHBondContact O-CB 3.21Å; I203-R207 WeakPolarHBondContact O-CG 3.38Å; I203-R207 PolarHBondContact O-N 3.43Å
204	V	46.5	Very low	41.2	Very low	57 Å²	57	57 Å²	57	35%	0.345	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-45.2	175.1	165.2	0	0	0	0	110.9	D200 E201 R207 L208	D200-V204 WeakPolarHBondContact O-CB 3.46Å; D200-V204 WeakPolarHBondContact O-CG2 3.45Å; D200-V204 PolarHBondContact O-N 3.24Å; E201-V204 PolarHBondContact O-N 3.01Å; V204-R207 PolarHBondContact O-N 3.34Å; V204-L208 WeakPolarHBondContact O-CB 3.41Å; V204-L208 PolarHBondContact O-N 2.85Å
205	I	47.5	Very low	41.6	Very low	16 Å²	16	60.7 Å²	60.7	8%	0.082	33%	0.326	C	S	.	.	H	α-helix	trans	-56	-52.4	173.3	-81.7	166.9	0	0	0	109.8	V170 L186 L189 E201 A202 R207 L208 C209	V170-I205 HydrophobicContact CG2-CB 4.28Å; V170-I205 HydrophobicContact CG2-CD1 4.34Å; V170-I205 HydrophobicContact CG2-CG1 4.36Å; V170-I205 HydrophobicContact CG2-CG2 3.03Å; L186-I205 HydrophobicContact CD2-CD1 4.12Å; L186-I205 HydrophobicContact CD2-CG1 4.29Å; L189-I205 HydrophobicContact CD1-CD1 3.76Å; L189-I205 HydrophobicContact CD1-CG1 3.53Å; E201-I205 WeakPolarHBondContact O-CB 3.13Å; E201-I205 WeakPolarHBondContact O-CD1 3.37Å; E201-I205 WeakPolarHBondContact O-CG1 3.32Å; E201-I205 PolarHBondContact O-N 2.96Å; A202-I205 WeakPolarHBondContact O-CB 3.25Å; A202-I205 PolarHBondContact O-N 3.22Å; I205-R207 PolarHBondContact O-N 2.97Å; I205-L208 WeakPolarHBondContact O-CB 3.29Å; I205-L208 PolarHBondContact O-N 2.86Å; I205-C209 WeakPolarHBondContact O-CB 3.49Å; I205-C209 PolarHBondContact O-N 2.98Å; I205-C209 PolarHBondContact O-SG 3.48Å
206	L	49.6	Very low	41.7	Very low	11 Å²	11	56.2 Å²	56.2	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-55.3	-55.6	178.5	-75.7	168.9	0	0	0	110.1	L140 S166 L169 A202 I203 L208 C209 L210	L140-L206 HydrophobicContact CD1-CD1 4.43Å; L140-L206 HydrophobicContact CD1-CD2 3.84Å; S166-L206 VanDerWaalsContact OG-CD1 3.32Å; S166-L206 WeakPolarHBondContact OG-CD1 2.93Å; S166-L206 WeakPolarHBondContact OG-CG 3.49Å; L169-L206 HydrophobicContact CD1-CD2 3.2Å; L169-L206 HydrophobicContact CG-CD2 4.48Å; A202-L206 WeakPolarHBondContact O-CB 3.08Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.35Å; I203-L206 PolarHBondContact O-N 3.26Å; L206-L208 VanDerWaalsContact C-N 3.29Å; L206-L208 PolarHBondContact O-N 3.03Å; L206-C209 WeakPolarHBondContact O-CA 3.27Å; L206-C209 VanDerWaalsContact O-CB 3.24Å; L206-C209 WeakPolarHBondContact O-CB 3.39Å; L206-C209 PolarHBondContact O-N 3.05Å; L206-L210 VanDerWaalsContact O-CG 3.25Å; L206-L210 WeakPolarHBondContact O-CG 3.47Å; L206-L210 PolarHBondContact O-N 2.8Å
207	R	48.6	Very low	41.6	Very low	82 Å²	82	61.5 Å²	61.5	31%	0.309	34%	0.339	S	S	.	.	H	α-helix	trans	-56.6	-40.4	179.3	-73.7	175.3	176.7	-179.7	0.8	113	I152 I203 V204 I205 L210 R211	I152-R207 HydrophobicContact CD1-CG 4.49Å; I203-R207 HydrophobicContact CG2-CG 4.48Å; I203-R207 WeakPolarHBondContact O-CB 3.21Å; I203-R207 WeakPolarHBondContact O-CG 3.38Å; I203-R207 PolarHBondContact O-N 3.43Å; V204-R207 PolarHBondContact O-N 3.34Å; I205-R207 PolarHBondContact O-N 2.97Å; R207-L210 PolarHBondContact O-N 3.48Å; R207-R211 WeakPolarHBondContact O-CB 3.38Å; R207-R211 PolarHBondContact O-N 3.2Å
208	L	47.3	Very low	41.9	Very low	38 Å²	38	62.7 Å²	62.7	20%	0.199	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-48.4	175.1	-178.3	73.2	0	0	0	110.7	L182 V185 V204 I205 L206 L210 R211 L212	L182-L208 HydrophobicContact CD1-CD2 3.91Å; V185-L208 HydrophobicContact CB-CD2 3.75Å; V185-L208 HydrophobicContact CG1-CD2 3.71Å; V185-L208 HydrophobicContact CG2-CD2 3.79Å; V204-L208 WeakPolarHBondContact O-CB 3.41Å; V204-L208 PolarHBondContact O-N 2.85Å; I205-L208 WeakPolarHBondContact O-CB 3.29Å; I205-L208 PolarHBondContact O-N 2.86Å; L206-L208 VanDerWaalsContact C-N 3.29Å; L206-L208 PolarHBondContact O-N 3.03Å; L208-L210 PolarHBondContact O-N 3.43Å; L208-R211 PolarHBondContact O-N 3.25Å; L208-L212 HydrophobicContact CD1-CD1 4.07Å; L208-L212 HydrophobicContact CD1-CG 4.29Å; L208-L212 HydrophobicContact CD2-CD1 4.26Å; L208-L212 HydrophobicContact CG-CD1 3.73Å; L208-L212 HydrophobicContact CG-CG 4.31Å; L208-L212 WeakPolarHBondContact O-CB 3.17Å; L208-L212 WeakPolarHBondContact O-CG 3.4Å; L208-L212 PolarHBondContact O-N 3.12Å
209	C	45.7	Very low	42	Very low	3 Å²	3	63.5 Å²	63.5	2%	0.02	34%	0.336	C	S	.	.	H	α-helix	trans	-53	-42.2	176.4	-68.7	0	0	0	0	111.1	L173 I205 L206 A213	L173-C209 HydrophobicContact CD1-CB 3.13Å; L173-C209 WeakPolarHBondContact CD1-SG 3.47Å; I205-C209 WeakPolarHBondContact O-CB 3.49Å; I205-C209 PolarHBondContact O-N 2.98Å; I205-C209 PolarHBondContact O-SG 3.48Å; L206-C209 WeakPolarHBondContact O-CA 3.27Å; L206-C209 VanDerWaalsContact O-CB 3.24Å; L206-C209 WeakPolarHBondContact O-CB 3.39Å; L206-C209 PolarHBondContact O-N 3.05Å; C209-A213 WeakPolarHBondContact O-CB 3.17Å; C209-A213 PolarHBondContact O-N 3.26Å
210	L	46.5	Very low	42.3	Very low	10 Å²	10	64.1 Å²	64.1	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-73.3	-41.1	178.6	-57.8	-172.2	0	0	0	113.6	F89 A142 M150 I152 L206 R207 L208 L212 A213 T214	F89-L210 HydrophobicContact CD1-CD2 3.6Å; F89-L210 HydrophobicContact CE1-CD1 3.51Å; F89-L210 HydrophobicContact CE1-CD2 2.91Å; F89-L210 HydrophobicContact CE1-CG 3.73Å; F89-L210 HydrophobicContact CE2-CD2 4.25Å; F89-L210 HydrophobicContact CZ-CD1 3.88Å; F89-L210 HydrophobicContact CZ-CD2 3.31Å; F89-L210 HydrophobicContact CZ-CG 4.14Å; A142-L210 HydrophobicContact CB-CD1 4.15Å; M150-L210 HydrophobicContact CE-CB 4.17Å; M150-L210 HydrophobicContact SD-CB 3.89Å; M150-L210 HydrophobicContact SD-CD1 3.71Å; M150-L210 HydrophobicContact SD-CG 4.46Å; I152-L210 HydrophobicContact CD1-CD1 3.53Å; I152-L210 HydrophobicContact CG1-CD1 4.02Å; L206-L210 VanDerWaalsContact O-CG 3.25Å; L206-L210 WeakPolarHBondContact O-CG 3.47Å; L206-L210 PolarHBondContact O-N 2.8Å; R207-L210 PolarHBondContact O-N 3.48Å; L208-L210 PolarHBondContact O-N 3.43Å; L210-L212 PolarHBondContact O-N 2.95Å; L210-A213 PolarHBondContact O-N 3.48Å; L210-T214 WeakPolarHBondContact O-CG2 3.3Å; L210-T214 PolarHBondContact O-N 3.3Å; L210-T214 PolarHBondContact O-OG1 3.45Å
211	R	44.2	Very low	42.3	Very low	163 Å²	163	64.2 Å²	64.2	62%	0.615	34%	0.338	S	S	*	.	H	α-helix	trans	-64.8	-30.9	176.3	-167.7	173.4	-174.3	171.4	0.4	112.2	R207 L208 T214 K215	R207-R211 WeakPolarHBondContact O-CB 3.38Å; R207-R211 PolarHBondContact O-N 3.2Å; L208-R211 PolarHBondContact O-N 3.25Å; R211-T214 WeakPolarHBondContact CA-OG1 3.14Å; R211-T214 PolarHBondContact O-OG1 3.36Å; R211-K215 WeakPolarHBondContact O-CG 3.49Å; R211-K215 PolarHBondContact O-N 2.95Å
212	L	40.4	Very low	42.3	Very low	29 Å²	29	66.4 Å²	66.4	15%	0.152	35%	0.35	C	S	.	.	H	α-helix	trans	-79.1	-40.3	176.9	-64.3	170.5	0	0	0	111.5	M179 L208 L210 T214 K215	M179-L212 HydrophobicContact CE-CD2 3.71Å; M179-L212 HydrophobicContact SD-CB 3.93Å; M179-L212 HydrophobicContact SD-CD1 3.68Å; M179-L212 HydrophobicContact SD-CD2 3.81Å; M179-L212 HydrophobicContact SD-CG 3.99Å; L208-L212 HydrophobicContact CD1-CD1 4.07Å; L208-L212 HydrophobicContact CD1-CG 4.29Å; L208-L212 HydrophobicContact CD2-CD1 4.26Å; L208-L212 HydrophobicContact CG-CD1 3.73Å; L208-L212 HydrophobicContact CG-CG 4.31Å; L208-L212 WeakPolarHBondContact O-CB 3.17Å; L208-L212 WeakPolarHBondContact O-CG 3.4Å; L208-L212 PolarHBondContact O-N 3.12Å; L210-L212 PolarHBondContact O-N 2.95Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 2.87Å; L212-K215 PolarHBondContact O-N 2.84Å
213	A	37.2	Very low	42.3	Very low	62 Å²	62	70.5 Å²	70.5	51%	0.512	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-36.5	173.8	0	0	0	0	0	112.7	C209 L210	C209-A213 WeakPolarHBondContact O-CB 3.17Å; C209-A213 PolarHBondContact O-N 3.26Å; L210-A213 PolarHBondContact O-N 3.48Å
214	T	38.3	Very low	42.1	Very low	68 Å²	68	72.5 Å²	72.5	42%	0.417	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.1	179.2	52.1	0	0	0	0	114.8	I88 L210 R211 L212	I88-T214 HydrophobicContact CD1-CG2 4.36Å; I88-T214 HydrophobicContact CG2-CG2 3.78Å; L210-T214 WeakPolarHBondContact O-CG2 3.3Å; L210-T214 PolarHBondContact O-N 3.3Å; L210-T214 PolarHBondContact O-OG1 3.45Å; R211-T214 WeakPolarHBondContact CA-OG1 3.14Å; R211-T214 PolarHBondContact O-OG1 3.36Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 2.87Å
215	K	37.2	Very low	41.8	Very low	145 Å²	145	73.7 Å²	73.7	63%	0.63	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	3.2	173.1	-88.3	-172.8	173	-171.7	0	113.2	R211 L212 E217	R211-K215 WeakPolarHBondContact O-CG 3.49Å; R211-K215 PolarHBondContact O-N 2.95Å; L212-K215 PolarHBondContact O-N 2.84Å; K215-E217 PolarHBondContact O-N 3.44Å; K215-E217 VanDerWaalsContact O-N 3.17Å
216	G	30.5	Very low	41.3	Very low	72 Å²	72	78.5 Å²	78.5	74%	0.742	41%	0.41	S	S	*	.			trans	-76.9	20.2	-179	0	0	0	0	0	116.2
217	E	30.1	Very low	40.6	Very low	259 Å²	259	84.6 Å²	84.6	100%	1.21	44%	0.442	S	S	*	.			trans	-111.8	0	165.1	-70.2	-167.6	156.2	0	0	111.1	K215	K215-E217 PolarHBondContact O-N 3.44Å; K215-E217 VanDerWaalsContact O-N 3.17Å

Retrieved 217 of 217 residues in 206.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).