A0A096NY25_PAPAN Loading...

Adenosine 5'-monophosphoramidase HINT3

AlphaFold DB , UniProt , Accession A0A096NY25, Species PAPAN (Papio anubis, Olive baboon), Gene HINT3, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	41.2	Very low	244 Å²	244	143.3 Å²	143.3	100%	1.202	79%	0.792	S	S	*	*				0	114	0	-49.6	-147.4	-56.5	0	0	106.8
2	A	42.3	Very low	40.5	Very low	78 Å²	78	145.6 Å²	145.6	65%	0.645	80%	0.801	S	S	*	*			cis	-129	157.9	-14.5	0	0	0	0	0	107.1
3	E	37.2	Very low	40.4	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	80%	0.796	S	S	*	*				47.5	124.1	93	-46.3	-173.6	118.1	0	0	112.2
4	E	44.3	Very low	40.9	Very low	196 Å²	196	139.6 Å²	139.6	92%	0.916	79%	0.794	S	S	*	*				-132.6	177.4	72.7	-156.1	150.8	82.4	0	0	115.3
5	Q	42.3	Very low	40.5	Very low	160 Å²	160	139.5 Å²	139.5	75%	0.748	79%	0.79	S	S	*	*			trans	-150	155.3	-162.2	-117.6	-168.1	35	0	0	113.3
6	V	49.1	Very low	40.2	Very low	103 Å²	103	135 Å²	135	62%	0.624	77%	0.771	S	S	*	*			trans	71.2	147.5	149.8	169.7	0	0	0	0	114.9
7	N	39.7	Very low	39.9	Very low	131 Å²	131	138.4 Å²	138.4	70%	0.701	77%	0.774	S	S	*	*			cis	-139.2	146.7	36.9	-115.1	-14.7	0	0	0	110.1
8	R	42.5	Very low	39.5	Very low	211 Å²	211	136.2 Å²	136.2	80%	0.796	78%	0.777	S	S	*	*				60	146.6	65.1	-60.3	-173.7	173.9	178	-2	114.6
9	S	44.2	Very low	39	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	78%	0.781	S	S	*	*			cis	-175	-165.3	-10.3	51.9	0	0	0	0	107.7
10	A	40.3	Very low	38.7	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	78%	0.783	S	S	*	*			cis	-161.9	175.5	5.7	0	0	0	0	0	109.9
11	G	33	Very low	38.4	Very low	67 Å²	67	134 Å²	134	69%	0.691	79%	0.787	S	S	*	*			trans	123.6	90.6	167.6	0	0	0	0	0	113.4
12	L	33.2	Very low	38.4	Very low	171 Å²	171	127.4 Å²	127.4	90%	0.895	77%	0.771	S	S	*	*				79.9	130.6	62.8	-79.3	80.9	0	0	0	115.9
13	A	38.6	Very low	37.8	Very low	90 Å²	90	132.8 Å²	132.8	74%	0.744	78%	0.783	S	S	*	*			trans	-114.1	-153.3	171.1	0	0	0	0	0	109
14	P	47.6	Very low	37.9	Very low	118 Å²	118	129.9 Å²	129.9	77%	0.766	78%	0.782	S	S	*	*			cis	-108.9	-138.3	3	28.2	-3.1	0	0	0	110.8
15	D	34.5	Very low	37.5	Very low	137 Å²	137	126.5 Å²	126.5	73%	0.733	78%	0.776	S	S	*	*			cis	-165.6	175.2	2.5	-143.7	-0.9	0	0	0	107.6
16	S	36.2	Very low	37.4	Very low	68 Å²	68	125.5 Å²	125.5	48%	0.476	78%	0.78	S	S	.	*			cis	-162.1	152.3	-3.3	-145.7	0	0	0	0	113.1
17	K	34.3	Very low	37	Very low	192 Å²	192	126 Å²	126	84%	0.835	79%	0.788	S	S	*	*			trans	64.4	148.3	141.1	-78.4	164.9	-172.5	165.8	0	125.5
18	A	32.9	Very low	37.2	Very low	99 Å²	99	125 Å²	125	82%	0.818	79%	0.791	S	S	*	*			trans	73.9	134.4	156.1	0	0	0	0	0	119.1
19	S	30.5	Very low	37.1	Very low	123 Å²	123	121.9 Å²	121.9	86%	0.86	80%	0.795	S	S	*	*			cis	114.9	96.4	2	-179.4	0	0	0	0	115.1
20	A	33.6	Very low	36.8	Very low	99 Å²	99	125.1 Å²	125.1	82%	0.818	80%	0.798	S	S	*	*			trans	-163.8	139.1	145.7	0	0	0	0	0	113.2
21	T	31.1	Very low	36.8	Very low	142 Å²	142	126.8 Å²	126.8	87%	0.871	80%	0.799	S	S	*	*			trans	-45.3	147.5	174.2	49.2	0	0	0	0	119.2
22	A	38.2	Very low	37.5	Very low	104 Å²	104	129.2 Å²	129.2	86%	0.86	80%	0.802	S	S	*	*			trans	-156.9	139.9	136.9	0	0	0	0	0	111
23	E	31.7	Very low	38	Very low	191 Å²	191	129 Å²	129	89%	0.893	80%	0.797	S	S	*	*			trans	-91.6	149.7	172.6	-74.3	169.5	67.3	0	0	111.9
24	S	38.4	Very low	38.1	Very low	121 Å²	121	129.4 Å²	129.4	85%	0.846	80%	0.801	S	S	*	*			trans	-158.5	148.9	143.1	-151.1	0	0	0	0	111.2
25	T	36.4	Very low	38	Very low	126 Å²	126	127.4 Å²	127.4	77%	0.773	79%	0.794	S	S	*	*			trans	-120.7	123.1	-168.5	41.4	0	0	0	0	112.9
26	V	39.6	Very low	38.7	Very low	138 Å²	138	125.5 Å²	125.5	84%	0.836	80%	0.797	S	S	*	*			trans	-141	98.2	164.6	-178.2	0	0	0	0	105.5
27	S	40.8	Very low	38.9	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	81%	0.807	S	S	*	*				73	107.5	81.1	-163.7	0	0	0	0	112.3
28	S	43.2	Very low	39.5	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	80%	0.8	S	S	*	*			trans	-79.3	144.6	-173.6	-33.3	0	0	0	0	113.3
29	V	40.8	Very low	40.3	Very low	146 Å²	146	126.8 Å²	126.8	89%	0.885	80%	0.801	S	S	*	*			trans	-142.8	135.6	141.3	-179.1	0	0	0	0	107.5
30	E	38.9	Very low	41.2	Very low	181 Å²	181	126.8 Å²	126.8	85%	0.846	79%	0.787	S	S	*	*			trans	-92.9	169.8	177.4	-72.5	177	98	0	0	112.8
31	T	39.7	Very low	42	Very low	127 Å²	127	126.6 Å²	126.6	78%	0.779	78%	0.778	S	S	*	*			trans	-61.1	166.3	-177.9	27.8	0	0	0	0	114.1
32	P	47.4	Very low	43.6	Very low	117 Å²	117	129.1 Å²	129.1	76%	0.76	78%	0.777	S	S	*	*			cis	-133.9	142.2	27.9	38.1	-19	0	0	0	119.2	A34	P32-A34 PolarHBondContact O-N 3.28Å
33	E	42.7	Very low	45.8	Very low	167 Å²	167	127.2 Å²	127.2	78%	0.78	75%	0.752	S	S	*	*			trans	-38	114.4	142.2	-180	179.5	176.1	0	0	112	A35	E33-A35 PolarHBondContact O-N 2.86Å
34	A	42.3	Very low	48.7	Very low	99 Å²	99	122.5 Å²	122.5	82%	0.818	73%	0.727	S	S	*	*			trans	-76.8	69.8	173.4	0	0	0	0	0	110.4	P32 A36	P32-A34 PolarHBondContact O-N 3.28Å; A34-A36 PolarHBondContact O-N 2.93Å
35	A	45.8	Very low	51.4	Low	76 Å²	76	119.1 Å²	119.1	63%	0.628	70%	0.699	S	S	*	*			trans	-55.6	108.7	173.8	0	0	0	0	0	109.4	E33 K37	E33-A35 PolarHBondContact O-N 2.86Å; A35-K37 PolarHBondContact O-N 2.88Å
36	A	47.8	Very low	54.1	Low	96 Å²	96	117.4 Å²	117.4	79%	0.793	69%	0.692	S	S	*	*			trans	-65.6	97.4	-178	0	0	0	0	0	109.2	A34 S38	A34-A36 PolarHBondContact O-N 2.93Å; A36-S38 PolarHBondContact O-N 2.97Å
37	K	41	Very low	56.7	Low	160 Å²	160	116.6 Å²	116.6	70%	0.696	69%	0.688	S	S	*	*			trans	-65.4	103.8	-173.8	-169.1	171	-172	-176.6	0	110	A35 E40	A35-K37 PolarHBondContact O-N 2.88Å; K37-E40 WeakPolarHBondContact CE-OE1 2.8Å; K37-E40 IonicContact NZ-OE1 2.76Å; K37-E40 PolarHBondContact NZ-OE1 3.31Å
38	S	46.3	Very low	59.3	Low	97 Å²	97	111.7 Å²	111.7	68%	0.678	65%	0.654	S	S	*	*			trans	-46.8	142.2	168.5	-61.9	0	0	0	0	110.1	A36 E40	A36-S38 PolarHBondContact O-N 2.97Å; S38-E40 PolarHBondContact O-N 2.92Å
39	P	50.1	Low	61.9	Low	129 Å²	129	109 Å²	109	84%	0.838	63%	0.633	S	S	*	*			trans	-64.1	106.6	-177.9	26.1	-33.6	0	0	0	110.1
40	E	49	Very low	64.5	Low	123 Å²	123	102.6 Å²	102.6	58%	0.575	59%	0.593	S	S	*	*			trans	-48.6	138	168	-58.8	-80.7	-164.6	0	0	109.1	K37 S38 K42	K37-E40 WeakPolarHBondContact CE-OE1 2.8Å; K37-E40 IonicContact NZ-OE1 2.76Å; K37-E40 PolarHBondContact NZ-OE1 3.31Å; S38-E40 PolarHBondContact O-N 2.92Å; E40-K42 PolarHBondContact O-N 2.9Å
41	P	50.4	Low	67.3	Low	96 Å²	96	94 Å²	94	62%	0.623	55%	0.552	S	S	*	*			trans	-60.8	124.3	177.7	25.7	-33.2	0	0	0	109.5	D43	P41-D43 PolarHBondContact O-N 2.68Å
42	K	64.3	Low	70	Confident	194 Å²	194	91.4 Å²	91.4	84%	0.843	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	16.9	-178.3	-67.3	-173.7	176.2	-178.1	0	114.3	E40	E40-K42 PolarHBondContact O-N 2.9Å
43	D	86.2	Confident	72.4	Confident	65 Å²	65	86.2 Å²	86.2	35%	0.348	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2	-171.5	-67.5	7.6	0	0	0	112	P41 K91 H92	P41-D43 PolarHBondContact O-N 2.68Å; D43-K91 HydrophobicContact CB-CB 4.2Å; D43-K91 HydrophobicContact CB-CG 4.09Å; D43-K91 CarbonylContact O-C 2.91Å; D43-K91 WeakPolarHBondContact O-CA 3.09Å; D43-K91 WeakPolarHBondContact OD2-CD 3.46Å; D43-K91 WeakPolarHBondContact OD2-CE 3.46Å; D43-K91 IonicContact OD2-NZ 3.39Å; D43-K91 PolarHBondContact OD2-NZ 3.4Å; D43-H92 PolarHBondContact O-N 2.84Å
44	Y	91.8	Very high	74.9	Confident	91 Å²	91	79.1 Å²	79.1	36%	0.357	46%	0.464	S	S	.	.			trans	-143.3	140.2	-179.9	-171.1	-88.4	0	0	0	112.2	C51 Q57	Y44-C51 HydrophobicContact CD2-CB 3.82Å; Y44-C51 HydrophobicContact CE1-CB 4.49Å; Y44-C51 HydrophobicContact CE2-CB 3.66Å; Y44-C51 VanDerWaalsContact CE2-O 3.27Å; Y44-C51 WeakPolarHBondContact CE2-O 3.4Å; Y44-C51 HydrophobicContact CG-CB 4.32Å; Y44-Q57 VanDerWaalsContact OH-CD 3.3Å; Y44-Q57 PolarHBondContact OH-NE2 3.25Å; Y44-Q57 VanDerWaalsContact OH-NE2 3.11Å; Y44-Q57 PolarHBondContact OH-OE1 2.98Å
45	D	94.5	Very high	77.4	Confident	51 Å²	51	76 Å²	76	27%	0.273	44%	0.442	S	S	.	.			trans	-128.2	118.4	173.4	169.7	12.3	0	0	0	109.4	T47 C48 C51	D45-T47 VanDerWaalsContact CG-OG1 3.28Å; D45-T47 PolarHBondContact O-N 3.19Å; D45-T47 WeakPolarHBondContact OD1-CA 3.06Å; D45-T47 WeakPolarHBondContact OD1-CB 3.5Å; D45-T47 PolarHBondContact OD1-N 2.7Å; D45-T47 PolarHBondContact OD1-OG1 2.68Å; D45-T47 PolarHBondContact OD2-OG1 2.78Å; D45-T47 VanDerWaalsContact OD2-OG1 3.06Å; D45-C48 HydrophobicContact CB-CB 3.89Å; D45-C48 WeakPolarHBondContact O-CB 3.19Å; D45-C48 PolarHBondContact O-N 2.66Å; D45-C48 VanDerWaalsContact O-N 3.15Å; D45-C51 PolarHBondContact N-SG 2.84Å; D45-C51 VanDerWaalsContact N-SG 3.42Å; D45-C51 WeakPolarHBondContact O-CB 3.43Å
46	S	92.9	Very high	79.6	Confident	89 Å²	89	80.1 Å²	80.1	62%	0.622	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18	-179.3	55.7	0	0	0	0	114.1
47	T	94.6	Very high	81.8	Confident	121 Å²	121	80.6 Å²	80.6	74%	0.742	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-18	173.3	73.7	0	0	0	0	112.4	D45	D45-T47 VanDerWaalsContact CG-OG1 3.28Å; D45-T47 PolarHBondContact O-N 3.19Å; D45-T47 WeakPolarHBondContact OD1-CA 3.06Å; D45-T47 WeakPolarHBondContact OD1-CB 3.5Å; D45-T47 PolarHBondContact OD1-N 2.7Å; D45-T47 PolarHBondContact OD1-OG1 2.68Å; D45-T47 PolarHBondContact OD2-OG1 2.78Å; D45-T47 VanDerWaalsContact OD2-OG1 3.06Å
48	C	96.2	Very high	84.3	Confident	11 Å²	11	74.8 Å²	74.8	7%	0.074	41%	0.411	C	S	.	.			trans	-80.8	120.5	178.7	-173.4	0	0	0	0	111.7	D45 F50 C51 R52	D45-C48 HydrophobicContact CB-CB 3.89Å; D45-C48 WeakPolarHBondContact O-CB 3.19Å; D45-C48 PolarHBondContact O-N 2.66Å; D45-C48 VanDerWaalsContact O-N 3.15Å; C48-F50 VanDerWaalsContact C-N 3.26Å; C48-F50 PolarHBondContact O-N 3.22Å; C48-C51 HydrophobicContact CB-CB 3.96Å; C48-C51 WeakPolarHBondContact O-CB 3.49Å; C48-C51 PolarHBondContact O-N 2.74Å; C48-R52 PolarHBondContact O-N 2.8Å
49	V	96.4	Very high	86.3	Confident	54 Å²	54	76.6 Å²	76.6	33%	0.327	42%	0.42	S	S	.	.	H	α-helix	trans	-60.5	-33.5	176.8	62.4	0	0	0	0	112.9	R52 I53 I141	V49-R52 PolarHBondContact O-N 3.38Å; V49-I53 HydrophobicContact CG2-CD1 4.07Å; V49-I53 WeakPolarHBondContact O-CG1 3Å; V49-I53 PolarHBondContact O-N 3.4Å; V49-I141 HydrophobicContact CG1-CD1 3.69Å; V49-I141 HydrophobicContact CG1-CG1 4.3Å; V49-I141 HydrophobicContact CG1-CG2 4.41Å
50	F	97.2	Very high	88.3	Confident	10 Å²	10	73.9 Å²	73.9	4%	0.044	42%	0.415	C	S	.	.	H	α-helix	trans	-75	-33.3	178.3	-73	-0.7	0	0	0	112.8	C48 I53 A54 F74 L86 V88 I141 H143 H145	C48-F50 VanDerWaalsContact C-N 3.26Å; C48-F50 PolarHBondContact O-N 3.22Å; F50-I53 HydrophobicContact CD1-CD1 4.08Å; F50-I53 PolarHBondContact O-N 2.92Å; F50-A54 WeakPolarHBondContact O-CB 3.42Å; F50-A54 PolarHBondContact O-N 3.42Å; F50-F74 HydrophobicContact CD1-CE2 4.46Å; F50-F74 AromaticContact CD1-CZ 3.8Å; F50-F74 HydrophobicContact CD1-CZ 3.8Å; F50-F74 AromaticContact CE1-CE2 3.99Å; F50-F74 HydrophobicContact CE1-CE2 3.99Å; F50-F74 AromaticContact CE1-CZ 3.65Å; F50-F74 HydrophobicContact CE1-CZ 3.65Å; F50-F74 HydrophobicContact CG-CZ 4.37Å; F50-F74 HydrophobicContact CZ-CZ 4.12Å; F50-L86 HydrophobicContact CE1-CD1 4.35Å; F50-L86 HydrophobicContact CE2-CD1 4.47Å; F50-L86 HydrophobicContact CZ-CD1 3.7Å; F50-V88 HydrophobicContact CB-CG1 4.13Å; F50-V88 HydrophobicContact CD2-CG1 4.07Å; F50-V88 HydrophobicContact CD2-CG2 4.2Å; F50-V88 HydrophobicContact CE2-CG2 4.38Å; F50-V88 HydrophobicContact CG-CG1 4.36Å; F50-I141 HydrophobicContact CD1-CD1 4.11Å; F50-I141 HydrophobicContact CD1-CG2 4.48Å; F50-I141 HydrophobicContact CD2-CG2 3.77Å; F50-I141 HydrophobicContact CE1-CD1 3.44Å; F50-I141 VanDerWaalsContact CE1-CD1 3.44Å; F50-I141 HydrophobicContact CE2-CB 4.16Å; F50-I141 HydrophobicContact CE2-CD1 4.04Å; F50-I141 HydrophobicContact CE2-CG2 3.88Å; F50-I141 HydrophobicContact CG-CG2 4.08Å; F50-I141 HydrophobicContact CZ-CB 4.37Å; F50-I141 HydrophobicContact CZ-CD1 3.39Å; F50-I141 HydrophobicContact CZ-CG1 4.45Å; F50-I141 HydrophobicContact CZ-CG2 4.32Å; F50-H143 HydrophobicContact CB-CB 4.03Å; F50-H143 HydrophobicContact CD2-CB 4Å; F50-H143 HydrophobicContact CG-CB 4.46Å; F50-H145 HydrophobicContact CD2-CB 4.34Å; F50-H145 HydrophobicContact CE2-CB 3.71Å; F50-H145 AromaticContact CE2-CG 3.69Å; F50-H145 AromaticContact CE2-ND1 3.65Å
51	C	97.2	Very high	90.5	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-46	166.3	-71.3	0	0	0	0	111.4	Y44 D45 C48 I53 A54 G55 H92 H143	Y44-C51 HydrophobicContact CD2-CB 3.82Å; Y44-C51 HydrophobicContact CE1-CB 4.49Å; Y44-C51 HydrophobicContact CE2-CB 3.66Å; Y44-C51 VanDerWaalsContact CE2-O 3.27Å; Y44-C51 WeakPolarHBondContact CE2-O 3.4Å; Y44-C51 HydrophobicContact CG-CB 4.32Å; D45-C51 PolarHBondContact N-SG 2.84Å; D45-C51 VanDerWaalsContact N-SG 3.42Å; D45-C51 WeakPolarHBondContact O-CB 3.43Å; C48-C51 HydrophobicContact CB-CB 3.96Å; C48-C51 WeakPolarHBondContact O-CB 3.49Å; C48-C51 PolarHBondContact O-N 2.74Å; C51-I53 VanDerWaalsContact C-N 3.34Å; C51-I53 PolarHBondContact O-N 2.9Å; C51-A54 PolarHBondContact O-N 3.36Å; C51-G55 PolarHBondContact O-N 3.26Å; C51-H92 PolarHBondContact SG-ND1 3.21Å; C51-H92 VanDerWaalsContact SG-ND1 3.44Å; C51-H143 VanDerWaalsContact SG-CE1 3.55Å; C51-H143 PolarHBondContact SG-ND1 2.9Å; C51-H143 VanDerWaalsContact SG-ND1 3.44Å
52	R	96.9	Very high	92.7	Very high	74 Å²	74	71 Å²	71	28%	0.279	40%	0.396	S	S	.	.	H	α-helix	trans	-58.4	-42.7	175.6	-77.4	-177.8	55	-103.5	-12.9	112.7	C48 V49 G55 Q56 Q57 D58	C48-R52 PolarHBondContact O-N 2.8Å; V49-R52 PolarHBondContact O-N 3.38Å; R52-G55 CarbonylContact O-C 3.6Å; R52-G55 PolarHBondContact O-N 3.02Å; R52-Q56 PolarHBondContact O-N 2.7Å; R52-Q57 HydrophobicContact CB-CB 4.25Å; R52-Q57 HydrophobicContact CG-CB 4.46Å; R52-Q57 PolarHBondContact NH2-O 3.33Å; R52-Q57 WeakPolarHBondContact O-CB 3.41Å; R52-Q57 PolarHBondContact O-N 3.31Å; R52-D58 IonicContact CZ-OD1 2.9Å; R52-D58 VanDerWaalsContact CZ-OD1 3.31Å; R52-D58 IonicContact NH1-OD1 3.94Å; R52-D58 PolarHBondContact NH1-OD1 2.84Å; R52-D58 IonicContact NH2-OD1 3.23Å; R52-D58 PolarHBondContact NH2-OD1 2.82Å
53	I	96.9	Very high	94.3	Very high	8 Å²	8	64.6 Å²	64.6	4%	0.041	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-45.5	175.5	-70.5	161.9	0	0	0	110.9	V49 F50 C51 G55 Q56 D58 T61 L63 I72 F74	V49-I53 HydrophobicContact CG2-CD1 4.07Å; V49-I53 WeakPolarHBondContact O-CG1 3Å; V49-I53 PolarHBondContact O-N 3.4Å; F50-I53 HydrophobicContact CD1-CD1 4.08Å; F50-I53 PolarHBondContact O-N 2.92Å; C51-I53 VanDerWaalsContact C-N 3.34Å; C51-I53 PolarHBondContact O-N 2.9Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 3.46Å; I53-Q56 PolarHBondContact O-N 3.39Å; I53-D58 HydrophobicContact CG1-CB 3.71Å; I53-T61 HydrophobicContact CD1-CG2 4.03Å; I53-T61 HydrophobicContact CG1-CG2 4.09Å; I53-T61 HydrophobicContact CG2-CG2 3.7Å; I53-L63 HydrophobicContact CG2-CD2 3.71Å; I53-I72 HydrophobicContact CG2-CD1 3.78Å; I53-F74 HydrophobicContact CD1-CE2 4.12Å; I53-F74 HydrophobicContact CD1-CZ 4.17Å; I53-F74 HydrophobicContact CG2-CD1 3.97Å; I53-F74 HydrophobicContact CG2-CE1 3.97Å; I53-F74 HydrophobicContact CG2-CG 4.41Å; I53-F74 HydrophobicContact CG2-CZ 4.39Å
54	A	95.7	Very high	94.8	Very high	17 Å²	17	62.5 Å²	62.5	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-34.2	176	0	0	0	0	0	113.6	F50 C51 Q56 I72 K90	F50-A54 WeakPolarHBondContact O-CB 3.42Å; F50-A54 PolarHBondContact O-N 3.42Å; C51-A54 PolarHBondContact O-N 3.36Å; A54-Q56 VanDerWaalsContact C-N 3.26Å; A54-Q56 PolarHBondContact O-N 3.14Å; A54-I72 HydrophobicContact CB-CD1 3.97Å; A54-K90 HydrophobicContact CB-CB 4.25Å; A54-K90 HydrophobicContact CB-CG 4.18Å
55	G	94.5	Very high	94.9	Very high	35 Å²	35	66 Å²	66	36%	0.361	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	8.8	172.5	0	0	0	0	0	114.8	C51 R52 I53 Q57	C51-G55 PolarHBondContact O-N 3.26Å; R52-G55 CarbonylContact O-C 3.6Å; R52-G55 PolarHBondContact O-N 3.02Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 3.46Å; G55-Q57 PolarHBondContact O-N 2.74Å; G55-Q57 VanDerWaalsContact O-N 3.12Å
56	Q	92.8	Very high	94.9	Very high	161 Å²	161	64.5 Å²	64.5	75%	0.752	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	24	-177.3	-58.3	-176.1	-51.8	0	0	114.7	R52 I53 A54 D58 L63	R52-Q56 PolarHBondContact O-N 2.7Å; I53-Q56 PolarHBondContact O-N 3.39Å; A54-Q56 VanDerWaalsContact C-N 3.26Å; A54-Q56 PolarHBondContact O-N 3.14Å; Q56-D58 VanDerWaalsContact C-N 3.28Å; Q56-D58 PolarHBondContact O-N 3.47Å; Q56-L63 HydrophobicContact CG-CD1 4.16Å
57	Q	93.6	Very high	94.8	Very high	107 Å²	107	66.6 Å²	66.6	50%	0.5	37%	0.366	S	S	.	.			trans	-88.5	11	178.7	-69	160.4	42.5	0	0	113	Y44 R52 G55	Y44-Q57 VanDerWaalsContact OH-CD 3.3Å; Y44-Q57 PolarHBondContact OH-NE2 3.25Å; Y44-Q57 VanDerWaalsContact OH-NE2 3.11Å; Y44-Q57 PolarHBondContact OH-OE1 2.98Å; R52-Q57 HydrophobicContact CB-CB 4.25Å; R52-Q57 HydrophobicContact CG-CB 4.46Å; R52-Q57 PolarHBondContact NH2-O 3.33Å; R52-Q57 WeakPolarHBondContact O-CB 3.41Å; R52-Q57 PolarHBondContact O-N 3.31Å; G55-Q57 PolarHBondContact O-N 2.74Å; G55-Q57 VanDerWaalsContact O-N 3.12Å
58	D	92.8	Very high	94.9	Very high	38 Å²	38	62.7 Å²	62.7	20%	0.203	34%	0.341	C	S	.	.			trans	-128.5	90.6	179.2	-160.6	87.4	0	0	0	110.9	R52 I53 Q56 G60 T61	R52-D58 IonicContact CZ-OD1 2.9Å; R52-D58 VanDerWaalsContact CZ-OD1 3.31Å; R52-D58 IonicContact NH1-OD1 3.94Å; R52-D58 PolarHBondContact NH1-OD1 2.84Å; R52-D58 IonicContact NH2-OD1 3.23Å; R52-D58 PolarHBondContact NH2-OD1 2.82Å; I53-D58 HydrophobicContact CG1-CB 3.71Å; Q56-D58 VanDerWaalsContact C-N 3.28Å; Q56-D58 PolarHBondContact O-N 3.47Å; D58-G60 PolarHBondContact O-N 3.01Å; D58-G60 VanDerWaalsContact O-N 3.14Å; D58-T61 PolarHBondContact O-N 3.46Å; D58-T61 PolarHBondContact OD2-OG1 3.06Å
59	P	88.8	Confident	94.9	Very high	134 Å²	134	70.2 Å²	70.2	87%	0.87	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-3.4	-171.7	30.5	-36.6	0	0	0	114.1
60	G	92.4	Very high	94.8	Very high	72 Å²	72	72.1 Å²	72.1	74%	0.742	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.6	172.7	0	0	0	0	0	113.7	D58	D58-G60 PolarHBondContact O-N 3.01Å; D58-G60 VanDerWaalsContact O-N 3.14Å
61	T	95.6	Very high	94.9	Very high	39 Å²	39	71.8 Å²	71.8	24%	0.239	38%	0.382	C	S	.	.			trans	-106.1	106.7	-173.1	-55.3	0	0	0	0	111.5	I53 D58 L63 F74	I53-T61 HydrophobicContact CD1-CG2 4.03Å; I53-T61 HydrophobicContact CG1-CG2 4.09Å; I53-T61 HydrophobicContact CG2-CG2 3.7Å; D58-T61 PolarHBondContact O-N 3.46Å; D58-T61 PolarHBondContact OD2-OG1 3.06Å; T61-L63 PolarHBondContact O-N 2.75Å; T61-F74 HydrophobicContact CG2-CB 3.77Å; T61-F74 HydrophobicContact CG2-CD2 3.7Å; T61-F74 HydrophobicContact CG2-CE2 4.43Å; T61-F74 HydrophobicContact CG2-CG 3.79Å
62	E	95.8	Very high	94.9	Very high	120 Å²	120	72.2 Å²	72.2	56%	0.561	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-69.3	119.9	172.4	-177.2	-170.6	-154.7	0	0	110.8	F74 K75	E62-F74 WeakPolarHBondContact O-CB 3.38Å; E62-K75 IonicContact OE2-NZ 2.62Å; E62-K75 PolarHBondContact OE2-NZ 2.91Å
63	L	97.1	Very high	95	Very high	59 Å²	59	68.7 Å²	68.7	31%	0.309	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.5	172	-61.9	-174.3	0	0	0	110.7	I53 Q56 T61 I72 C73 F74	I53-L63 HydrophobicContact CG2-CD2 3.71Å; Q56-L63 HydrophobicContact CG-CD1 4.16Å; T61-L63 PolarHBondContact O-N 2.75Å; L63-I72 HydrophobicContact CD1-CG2 4.36Å; L63-I72 HydrophobicContact CD2-CB 4.35Å; L63-I72 HydrophobicContact CD2-CD1 4.18Å; L63-C73 CarbonylContact C-O 3.52Å; L63-C73 WeakPolarHBondContact CA-O 3.47Å; L63-F74 HydrophobicContact CD2-CB 4.3Å; L63-F74 HydrophobicContact CD2-CD1 4.35Å
64	L	96.8	Very high	95.1	Very high	21 Å²	21	68.7 Å²	68.7	11%	0.11	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126	173	-54.6	177.8	0	0	0	109.4	C66 C73 K75 Y85 I117	L64-C66 PolarHBondContact O-N 3.09Å; L64-C73 HydrophobicContact CB-CB 4.29Å; L64-C73 PolarHBondContact N-O 3.48Å; L64-K75 HydrophobicContact CD1-CG 4.32Å; L64-Y85 HydrophobicContact CD1-CD1 3.42Å; L64-Y85 VanDerWaalsContact CD1-CD1 3.42Å; L64-Y85 HydrophobicContact CD1-CE1 3.54Å; L64-Y85 HydrophobicContact CD1-CG 4.21Å; L64-I117 HydrophobicContact CB-CD1 3.89Å; L64-I117 HydrophobicContact CD1-CG2 3.91Å
65	Y	95.2	Very high	95.2	Very high	166 Å²	166	72.8 Å²	72.8	65%	0.651	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-64.9	120.8	-174.1	174.4	-108.8	0	0	0	113.2	E67 I117 R120	Y65-E67 HydrophobicContact CE1-CG 4.27Å; Y65-I117 WeakPolarHBondContact O-CD1 3.44Å; Y65-R120 PolarHBondContact O-NH1 3.03Å
66	C	92.8	Very high	95.3	Very high	19 Å²	19	72.4 Å²	72.4	13%	0.128	38%	0.375	C	S	.	.			trans	-121.5	150.5	170.1	58.2	0	0	0	0	110.6	L64 V113	L64-C66 PolarHBondContact O-N 3.09Å; C66-V113 HydrophobicContact CB-CB 4.45Å; C66-V113 HydrophobicContact CB-CG1 3.55Å; C66-V113 HydrophobicContact CB-CG2 4.04Å
67	E	92	Very high	95.4	Very high	132 Å²	132	72.6 Å²	72.6	62%	0.617	38%	0.38	S	S	*	.	S	Bend	trans	-78.9	-21.7	-177.3	-74.7	161.2	-149.9	0	0	113.8	Y65 E69 R120	Y65-E67 HydrophobicContact CE1-CG 4.27Å; E67-E69 PolarHBondContact O-N 3.13Å; E67-R120 IonicContact OE1-CZ 2.96Å; E67-R120 IonicContact OE1-NH2 3.54Å; E67-R120 PolarHBondContact OE1-NH2 3.03Å
68	N	96	Very high	95.5	Very high	40 Å²	40	75.6 Å²	75.6	21%	0.214	39%	0.391	C	S	.	.			trans	-75.9	118.2	178.1	-175.4	-65.7	0	0	0	110.3	D70 L71 V113	N68-D70 PolarHBondContact O-N 2.95Å; N68-D70 PolarHBondContact OD1-N 3.32Å; N68-L71 HydrophobicContact CB-CB 4.31Å; N68-L71 HydrophobicContact CB-CD1 4.19Å; N68-L71 HydrophobicContact CB-CG 4.36Å; N68-L71 PolarHBondContact O-N 3.24Å; N68-L71 WeakPolarHBondContact OD1-CG 3.49Å; N68-L71 PolarHBondContact OD1-N 3.21Å; N68-V113 HydrophobicContact CB-CG2 3.95Å
69	E	95.6	Very high	95.6	Very high	169 Å²	169	77.9 Å²	77.9	79%	0.79	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.2	-174.5	-61.3	-167.5	153.2	0	0	114.6	E67 K90	E67-E69 PolarHBondContact O-N 3.13Å; E69-K90 WeakPolarHBondContact O-CD 3.49Å; E69-K90 WeakPolarHBondContact O-CE 3.39Å; E69-K90 PolarHBondContact O-NZ 3.27Å
70	D	96.2	Very high	95.9	Very high	93 Å²	93	72.3 Å²	72.3	50%	0.497	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.4	176.4	-84.7	-58.7	0	0	0	113	N68 P89 K90	N68-D70 PolarHBondContact O-N 2.95Å; N68-D70 PolarHBondContact OD1-N 3.32Å; D70-P89 WeakPolarHBondContact O-CA 3.46Å; D70-K90 PolarHBondContact O-N 3.5Å
71	L	98.3	Very high	96.1	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	161.8	-177.4	-63	179.8	0	0	0	112.4	N68 V87 V88 P89 K90 L106 N109 M110 V113	N68-L71 HydrophobicContact CB-CB 4.31Å; N68-L71 HydrophobicContact CB-CD1 4.19Å; N68-L71 HydrophobicContact CB-CG 4.36Å; N68-L71 PolarHBondContact O-N 3.24Å; N68-L71 WeakPolarHBondContact OD1-CG 3.49Å; N68-L71 PolarHBondContact OD1-N 3.21Å; L71-V87 HydrophobicContact CB-CG1 4.5Å; L71-V87 HydrophobicContact CD1-CG1 4.13Å; L71-V88 CarbonylContact C-O 3.45Å; L71-V88 WeakPolarHBondContact CA-O 3.49Å; L71-P89 HydrophobicContact CD2-CB 4.07Å; L71-K90 VanDerWaalsContact O-CE 3.29Å; L71-K90 WeakPolarHBondContact O-CE 3.45Å; L71-L106 HydrophobicContact CD2-CD1 3.94Å; L71-N109 HydrophobicContact CD1-CB 4.19Å; L71-M110 HydrophobicContact CD1-CG 3.98Å; L71-M110 HydrophobicContact CD2-CG 3.7Å; L71-V113 HydrophobicContact CD1-CB 4.27Å; L71-V113 HydrophobicContact CD1-CG2 3.75Å
72	I	98.1	Very high	96.1	Very high	9 Å²	9	72.2 Å²	72.2	5%	0.046	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.1	161.7	56.6	161.9	0	0	0	109.2	I53 A54 L63 F74 V87 V88 K90	I53-I72 HydrophobicContact CG2-CD1 3.78Å; A54-I72 HydrophobicContact CB-CD1 3.97Å; L63-I72 HydrophobicContact CD1-CG2 4.36Å; L63-I72 HydrophobicContact CD2-CB 4.35Å; L63-I72 HydrophobicContact CD2-CD1 4.18Å; I72-F74 HydrophobicContact CD1-CD1 3.87Å; I72-F74 HydrophobicContact CD1-CE1 3.69Å; I72-F74 HydrophobicContact CG1-CD1 4.44Å; I72-F74 HydrophobicContact CG1-CE1 4.38Å; I72-V87 WeakPolarHBondContact O-CA 3.47Å; I72-V88 HydrophobicContact CD1-CB 4.3Å; I72-V88 HydrophobicContact CG1-CB 3.94Å; I72-V88 WeakPolarHBondContact CG1-O 3.11Å; I72-V88 PolarHBondContact N-O 2.81Å; I72-V88 PolarHBondContact O-N 3.4Å; I72-K90 HydrophobicContact CG2-CD 4.41Å; I72-K90 HydrophobicContact CG2-CG 3.93Å
73	C	98.5	Very high	96.2	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.007	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.5	168.9	-171.5	0	0	0	0	109.8	L63 L64 L86 V87 V113 I117	L63-C73 CarbonylContact C-O 3.52Å; L63-C73 WeakPolarHBondContact CA-O 3.47Å; L64-C73 HydrophobicContact CB-CB 4.29Å; L64-C73 PolarHBondContact N-O 3.48Å; C73-L86 WeakPolarHBondContact CA-O 3.47Å; C73-V87 HydrophobicContact CB-CG2 4.41Å; C73-V113 HydrophobicContact CB-CG1 4.27Å; C73-I117 HydrophobicContact CB-CD1 4.3Å; C73-I117 HydrophobicContact CB-CG1 4.14Å
74	F	98.3	Very high	96.3	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.035	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166.2	174.6	54.6	-82.5	0	0	0	110.9	F50 I53 T61 E62 L63 I72 Y85 L86 V88	F50-F74 HydrophobicContact CD1-CE2 4.46Å; F50-F74 AromaticContact CD1-CZ 3.8Å; F50-F74 HydrophobicContact CD1-CZ 3.8Å; F50-F74 AromaticContact CE1-CE2 3.99Å; F50-F74 HydrophobicContact CE1-CE2 3.99Å; F50-F74 AromaticContact CE1-CZ 3.65Å; F50-F74 HydrophobicContact CE1-CZ 3.65Å; F50-F74 HydrophobicContact CG-CZ 4.37Å; F50-F74 HydrophobicContact CZ-CZ 4.12Å; I53-F74 HydrophobicContact CD1-CE2 4.12Å; I53-F74 HydrophobicContact CD1-CZ 4.17Å; I53-F74 HydrophobicContact CG2-CD1 3.97Å; I53-F74 HydrophobicContact CG2-CE1 3.97Å; I53-F74 HydrophobicContact CG2-CG 4.41Å; I53-F74 HydrophobicContact CG2-CZ 4.39Å; T61-F74 HydrophobicContact CG2-CB 3.77Å; T61-F74 HydrophobicContact CG2-CD2 3.7Å; T61-F74 HydrophobicContact CG2-CE2 4.43Å; T61-F74 HydrophobicContact CG2-CG 3.79Å; E62-F74 WeakPolarHBondContact O-CB 3.38Å; L63-F74 HydrophobicContact CD2-CB 4.3Å; L63-F74 HydrophobicContact CD2-CD1 4.35Å; I72-F74 HydrophobicContact CD1-CD1 3.87Å; I72-F74 HydrophobicContact CD1-CE1 3.69Å; I72-F74 HydrophobicContact CG1-CD1 4.44Å; I72-F74 HydrophobicContact CG1-CE1 4.38Å; F74-Y85 CarbonylContact O-C 3.55Å; F74-Y85 VanDerWaalsContact O-CA 3.29Å; F74-Y85 WeakPolarHBondContact O-CA 3.43Å; F74-L86 HydrophobicContact CE1-CB 4.43Å; F74-L86 HydrophobicContact CE2-CB 4.16Å; F74-L86 HydrophobicContact CE2-CD1 3.87Å; F74-L86 HydrophobicContact CE2-CG 4.49Å; F74-L86 HydrophobicContact CZ-CB 4.09Å; F74-L86 HydrophobicContact CZ-CD1 4.18Å; F74-L86 PolarHBondContact N-O 3.44Å; F74-L86 VanDerWaalsContact N-O 3.13Å; F74-L86 PolarHBondContact O-N 3Å; F74-V88 HydrophobicContact CE1-CB 4.19Å; F74-V88 HydrophobicContact CE1-CG2 3.58Å; F74-V88 HydrophobicContact CZ-CG2 3.92Å
75	K	98.1	Very high	96.4	Very high	102 Å²	102	64.6 Å²	64.6	44%	0.443	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.6	176.7	-67.1	159.2	-177	158	0	110.1	E62 L64 Y85	E62-K75 IonicContact OE2-NZ 2.62Å; E62-K75 PolarHBondContact OE2-NZ 2.91Å; L64-K75 HydrophobicContact CD1-CG 4.32Å; K75-Y85 HydrophobicContact CG-CD1 3.95Å; K75-Y85 HydrophobicContact CG-CE1 3.93Å
76	D	97	Very high	96.5	Very high	28 Å²	28	57 Å²	57	15%	0.15	29%	0.292	C	S	.	.			trans	-68	138.6	170.4	-166.3	-58.2	0	0	0	110	K78 P79 H84 L86	D76-K78 PolarHBondContact O-N 3.23Å; D76-K78 PolarHBondContact OD1-N 2.72Å; D76-P79 WeakPolarHBondContact O-CD 3.33Å; D76-H84 HydrophobicContact CB-CB 4.35Å; D76-H84 VanDerWaalsContact CB-CE1 3.45Å; D76-H84 WeakPolarHBondContact CB-CE1 3.45Å; D76-H84 VanDerWaalsContact CB-ND1 3.31Å; D76-H84 WeakPolarHBondContact CB-ND1 3.45Å; D76-H84 PolarHBondContact N-O 3.44Å; D76-H84 IonicContact OD2-CE1 3.73Å; D76-H84 PolarHBondContact OD2-CE1 2.82Å; D76-H84 IonicContact OD2-ND1 2.65Å; D76-H84 IonicContact OD2-NE2 2.85Å; D76-L86 HydrophobicContact CB-CD1 4.44Å; D76-L86 HydrophobicContact CB-CG 4.19Å
77	I	95.5	Very high	96.8	Very high	164 Å²	164	56.1 Å²	56.1	84%	0.841	29%	0.286	S	S	*	.	S	Bend	trans	-68	-17.5	179.2	-167.3	168.5	0	0	0	113.4
78	K	94.3	Very high	97.1	Very high	171 Å²	171	49.9 Å²	49.9	74%	0.743	26%	0.256	S	S	*	.	S	Bend	trans	-128.4	72.5	174.4	-70.5	173.5	-176.5	173.5	0	108.7	D76 A80	D76-K78 PolarHBondContact O-N 3.23Å; D76-K78 PolarHBondContact OD1-N 2.72Å; K78-A80 PolarHBondContact O-N 3.42Å
79	P	95.7	Very high	97.2	Very high	86 Å²	86	48.1 Å²	48.1	56%	0.558	25%	0.247	S	C	*	.			trans	-61.2	132.1	-174.7	25.8	-34	0	0	0	111.2	D76 H84	D76-P79 WeakPolarHBondContact O-CD 3.33Å; P79-H84 HydrophobicContact CB-CB 3.92Å
80	A	95.3	Very high	97.3	Very high	16 Å²	16	44.2 Å²	44.2	13%	0.132	23%	0.228	C	C	.	.	S	Bend	trans	-96.5	-17.4	-175.7	0	0	0	0	0	113.8	K78 H84 L149 L155 Y163	K78-A80 PolarHBondContact O-N 3.42Å; A80-H84 PolarHBondContact N-ND1 3.15Å; A80-L149 HydrophobicContact CB-CD2 3.95Å; A80-L155 HydrophobicContact CB-CD2 3.96Å; A80-Y163 HydrophobicContact CB-CD2 4.28Å; A80-Y163 HydrophobicContact CB-CE2 3.55Å
81	A	96	Very high	97.2	Very high	10 Å²	10	44.5 Å²	44.5	8%	0.083	22%	0.224	C	C	.	.	S	Bend	trans	-146.2	168.7	172.6	0	0	0	0	0	108	H83 P151 E154 L155	A81-H83 VanDerWaalsContact C-N 3.28Å; A81-H83 PolarHBondContact O-N 3.17Å; A81-P151 WeakPolarHBondContact CB-O 3.25Å; A81-E154 HydrophobicContact CB-CB 4.38Å; A81-L155 HydrophobicContact CB-CD2 4.04Å
82	T	96.3	Very high	97.2	Very high	99 Å²	99	46.7 Å²	46.7	61%	0.607	23%	0.234	S	C	*	.	S	Bend	trans	-52.1	-43.4	-177.6	-68.1	0	0	0	0	113.3	E154	T82-E154 WeakPolarHBondContact CB-OE2 3.32Å; T82-E154 PolarHBondContact N-OE2 3.12Å; T82-E154 PolarHBondContact OG1-OE2 2.74Å
83	H	97.8	Very high	97	Very high	28 Å²	28	47.6 Å²	47.6	13%	0.13	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	96.9	169.1	-54.2	-86.6	0	0	0	108.7	A81 Y85 L118 F123 L149 A150	A81-H83 VanDerWaalsContact C-N 3.28Å; A81-H83 PolarHBondContact O-N 3.17Å; H83-Y85 HydrophobicContact CB-CD2 4.4Å; H83-Y85 HydrophobicContact CB-CE2 3.69Å; H83-Y85 AromaticContact ND1-CE2 3.95Å; H83-Y85 AromaticContact ND1-CZ 3.79Å; H83-Y85 PolarHBondContact ND1-OH 3.33Å; H83-L118 HydrophobicContact CB-CD2 3.65Å; H83-F123 AromaticContact CD2-CD2 3.59Å; H83-F123 AromaticContact CD2-CG 3.99Å; H83-F123 AromaticContact NE2-CD2 3.68Å; H83-L149 CarbonylContact O-C 3.55Å; H83-L149 WeakPolarHBondContact O-CA 3.5Å; H83-A150 WeakPolarHBondContact CA-O 3.19Å; H83-A150 HydrophobicContact CB-CB 4.15Å; H83-A150 VanDerWaalsContact CB-O 3.31Å; H83-A150 WeakPolarHBondContact CB-O 3.49Å; H83-A150 PolarHBondContact N-O 2.78Å; H83-A150 PolarHBondContact O-N 3.42Å
84	H	98.1	Very high	96.8	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.019	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	104.6	166.1	-171.8	-164.8	0	0	0	109.6	D76 P79 A80 H147 V148 L149 Y163	D76-H84 HydrophobicContact CB-CB 4.35Å; D76-H84 VanDerWaalsContact CB-CE1 3.45Å; D76-H84 WeakPolarHBondContact CB-CE1 3.45Å; D76-H84 VanDerWaalsContact CB-ND1 3.31Å; D76-H84 WeakPolarHBondContact CB-ND1 3.45Å; D76-H84 PolarHBondContact N-O 3.44Å; D76-H84 IonicContact OD2-CE1 3.73Å; D76-H84 PolarHBondContact OD2-CE1 2.82Å; D76-H84 IonicContact OD2-ND1 2.65Å; D76-H84 IonicContact OD2-NE2 2.85Å; P79-H84 HydrophobicContact CB-CB 3.92Å; A80-H84 PolarHBondContact N-ND1 3.15Å; H84-H147 AromaticContact CE1-ND1 3.61Å; H84-H147 AromaticContact NE2-CE1 3.92Å; H84-H147 AromaticContact NE2-CG 3.87Å; H84-H147 AromaticContact NE2-ND1 2.94Å; H84-H147 PolarHBondContact NE2-ND1 3.27Å; H84-V148 WeakPolarHBondContact CA-O 3.2Å; H84-L149 HydrophobicContact CB-CD2 3.98Å; H84-L149 WeakPolarHBondContact CD2-CD2 3.37Å; H84-L149 VanDerWaalsContact CG-CD2 3.47Å; H84-Y163 PolarHBondContact CE1-OH 3.12Å; H84-Y163 VanDerWaalsContact CE1-OH 3.25Å
85	Y	98.6	Very high	96.7	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.8	178.4	-47.1	-64.8	0	0	0	111.2	L64 F74 K75 H83 I117 L118 N121 V148	L64-Y85 HydrophobicContact CD1-CD1 3.42Å; L64-Y85 VanDerWaalsContact CD1-CD1 3.42Å; L64-Y85 HydrophobicContact CD1-CE1 3.54Å; L64-Y85 HydrophobicContact CD1-CG 4.21Å; F74-Y85 CarbonylContact O-C 3.55Å; F74-Y85 VanDerWaalsContact O-CA 3.29Å; F74-Y85 WeakPolarHBondContact O-CA 3.43Å; K75-Y85 HydrophobicContact CG-CD1 3.95Å; K75-Y85 HydrophobicContact CG-CE1 3.93Å; H83-Y85 HydrophobicContact CB-CD2 4.4Å; H83-Y85 HydrophobicContact CB-CE2 3.69Å; H83-Y85 AromaticContact ND1-CE2 3.95Å; H83-Y85 AromaticContact ND1-CZ 3.79Å; H83-Y85 PolarHBondContact ND1-OH 3.33Å; Y85-I117 HydrophobicContact CD1-CG2 4.42Å; Y85-I117 HydrophobicContact CD2-CG2 3.69Å; Y85-I117 HydrophobicContact CE2-CG2 3.79Å; Y85-I117 HydrophobicContact CG-CG2 4.03Å; Y85-L118 HydrophobicContact CD2-CD2 4.49Å; Y85-L118 HydrophobicContact CE2-CD2 4.06Å; Y85-N121 WeakPolarHBondContact OH-CB 3.31Å; Y85-N121 PolarHBondContact OH-OD1 2.85Å; Y85-N121 VanDerWaalsContact OH-OD1 3.12Å; Y85-V148 HydrophobicContact CD2-CG1 4.29Å; Y85-V148 PolarHBondContact N-O 3.23Å; Y85-V148 PolarHBondContact O-N 2.99Å
86	L	98.6	Very high	96.5	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.6	171.2	-58.1	-177	0	0	0	108.8	F50 C73 F74 D76 V88 L146 H147	F50-L86 HydrophobicContact CE1-CD1 4.35Å; F50-L86 HydrophobicContact CE2-CD1 4.47Å; F50-L86 HydrophobicContact CZ-CD1 3.7Å; C73-L86 WeakPolarHBondContact CA-O 3.47Å; F74-L86 HydrophobicContact CE1-CB 4.43Å; F74-L86 HydrophobicContact CE2-CB 4.16Å; F74-L86 HydrophobicContact CE2-CD1 3.87Å; F74-L86 HydrophobicContact CE2-CG 4.49Å; F74-L86 HydrophobicContact CZ-CB 4.09Å; F74-L86 HydrophobicContact CZ-CD1 4.18Å; F74-L86 PolarHBondContact N-O 3.44Å; F74-L86 VanDerWaalsContact N-O 3.13Å; F74-L86 PolarHBondContact O-N 3Å; D76-L86 HydrophobicContact CB-CD1 4.44Å; D76-L86 HydrophobicContact CB-CG 4.19Å; L86-V88 HydrophobicContact CB-CG2 4.17Å; L86-L146 WeakPolarHBondContact CA-O 3.48Å; L86-H147 WeakPolarHBondContact CD2-ND1 3.33Å
87	V	98.7	Very high	96.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.3	168	-172.5	0	0	0	0	107.9	L71 I72 C73 M110 V113 H145 L146 V148	L71-V87 HydrophobicContact CB-CG1 4.5Å; L71-V87 HydrophobicContact CD1-CG1 4.13Å; I72-V87 WeakPolarHBondContact O-CA 3.47Å; C73-V87 HydrophobicContact CB-CG2 4.41Å; V87-M110 HydrophobicContact CG1-CB 4.15Å; V87-M110 HydrophobicContact CG1-CG 4.18Å; V87-M110 WeakPolarHBondContact O-CE 3.42Å; V87-V113 HydrophobicContact CG1-CB 4.06Å; V87-V113 HydrophobicContact CG1-CG1 3.79Å; V87-V113 HydrophobicContact CG2-CG1 4.03Å; V87-H145 WeakPolarHBondContact O-CA 3.44Å; V87-L146 HydrophobicContact CB-CB 4.28Å; V87-L146 PolarHBondContact N-O 3.08Å; V87-L146 PolarHBondContact O-N 3.43Å; V87-V148 HydrophobicContact CG2-CG2 4.02Å
88	V	98.4	Very high	96.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.2	-167.8	-176.1	0	0	0	0	109.4	F50 L71 I72 F74 L86 H143 H145	F50-V88 HydrophobicContact CB-CG1 4.13Å; F50-V88 HydrophobicContact CD2-CG1 4.07Å; F50-V88 HydrophobicContact CD2-CG2 4.2Å; F50-V88 HydrophobicContact CE2-CG2 4.38Å; F50-V88 HydrophobicContact CG-CG1 4.36Å; L71-V88 CarbonylContact C-O 3.45Å; L71-V88 WeakPolarHBondContact CA-O 3.49Å; I72-V88 HydrophobicContact CD1-CB 4.3Å; I72-V88 HydrophobicContact CG1-CB 3.94Å; I72-V88 WeakPolarHBondContact CG1-O 3.11Å; I72-V88 PolarHBondContact N-O 2.81Å; I72-V88 PolarHBondContact O-N 3.4Å; F74-V88 HydrophobicContact CE1-CB 4.19Å; F74-V88 HydrophobicContact CE1-CG2 3.58Å; F74-V88 HydrophobicContact CZ-CG2 3.92Å; L86-V88 HydrophobicContact CB-CG2 4.17Å; V88-H143 WeakPolarHBondContact CG1-NE2 3.47Å; V88-H145 HydrophobicContact CG2-CB 3.86Å
89	P	97.8	Very high	96.1	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.9	171.6	31.1	-30.7	0	0	0	110.7	D70 L71 K91 I93 L106 H143 L144	D70-P89 WeakPolarHBondContact O-CA 3.46Å; L71-P89 HydrophobicContact CD2-CB 4.07Å; P89-K91 WeakPolarHBondContact CG-O 3.49Å; P89-K91 PolarHBondContact O-N 3.35Å; P89-I93 HydrophobicContact CB-CD1 4.49Å; P89-I93 HydrophobicContact CG-CD1 4.21Å; P89-L106 HydrophobicContact CB-CD1 4.38Å; P89-H143 PolarHBondContact O-NE2 3.44Å; P89-L144 WeakPolarHBondContact CD-O 3.34Å; P89-L144 HydrophobicContact CG-CB 4.3Å; P89-L144 HydrophobicContact CG-CD2 4.27Å
90	K	96.9	Very high	96.1	Very high	87 Å²	87	41.1 Å²	41.1	38%	0.378	20%	0.2	S	C	.	.	S	Bend	trans	-61.9	-35.4	174.4	-66.6	178.9	-176.3	169.9	0	111.4	A54 E69 D70 L71 I72	A54-K90 HydrophobicContact CB-CB 4.25Å; A54-K90 HydrophobicContact CB-CG 4.18Å; E69-K90 WeakPolarHBondContact O-CD 3.49Å; E69-K90 WeakPolarHBondContact O-CE 3.39Å; E69-K90 PolarHBondContact O-NZ 3.27Å; D70-K90 PolarHBondContact O-N 3.5Å; L71-K90 VanDerWaalsContact O-CE 3.29Å; L71-K90 WeakPolarHBondContact O-CE 3.45Å; I72-K90 HydrophobicContact CG2-CD 4.41Å; I72-K90 HydrophobicContact CG2-CG 3.93Å
91	K	95.9	Very high	96	Very high	98 Å²	98	46.1 Å²	46.1	43%	0.426	22%	0.219	S	C	.	.	S	Bend	trans	-71.5	132.5	171.7	-60.5	-177.2	177.3	-115.7	0	111	D43 P89 I93 H143	D43-K91 HydrophobicContact CB-CB 4.2Å; D43-K91 HydrophobicContact CB-CG 4.09Å; D43-K91 CarbonylContact O-C 2.91Å; D43-K91 WeakPolarHBondContact O-CA 3.09Å; D43-K91 WeakPolarHBondContact OD2-CD 3.46Å; D43-K91 WeakPolarHBondContact OD2-CE 3.46Å; D43-K91 IonicContact OD2-NZ 3.39Å; D43-K91 PolarHBondContact OD2-NZ 3.4Å; P89-K91 WeakPolarHBondContact CG-O 3.49Å; P89-K91 PolarHBondContact O-N 3.35Å; K91-I93 PolarHBondContact O-N 3.31Å; K91-H143 PolarHBondContact O-NE2 3.05Å
92	H	96.5	Very high	95.9	Very high	49 Å²	49	50.9 Å²	50.9	23%	0.227	24%	0.243	C	C	.	.			trans	-67	113.7	175.2	-169.2	78.5	0	0	0	111.5	D43 C51 S142 H143	D43-H92 PolarHBondContact O-N 2.84Å; C51-H92 PolarHBondContact SG-ND1 3.21Å; C51-H92 VanDerWaalsContact SG-ND1 3.44Å; H92-S142 PolarHBondContact CE1-O 2.95Å; H92-S142 PolarHBondContact NE2-O 3.11Å; H92-H143 AromaticContact CE1-ND1 3.93Å; H92-H143 AromaticContact ND1-CE1 3.91Å; H92-H143 AromaticContact ND1-CG 3.7Å; H92-H143 AromaticContact ND1-ND1 3.12Å; H92-H143 PolarHBondContact ND1-ND1 3.24Å; H92-H143 VanDerWaalsContact ND1-ND1 3.12Å
93	I	95.4	Very high	95.8	Very high	29 Å²	29	47.5 Å²	47.5	15%	0.149	22%	0.22	C	C	.	.			trans	-129	126.6	175.2	-63.2	170.4	0	0	0	106.3	P89 K91 N95 L99 L106 H143 L144	P89-I93 HydrophobicContact CB-CD1 4.49Å; P89-I93 HydrophobicContact CG-CD1 4.21Å; K91-I93 PolarHBondContact O-N 3.31Å; I93-N95 PolarHBondContact O-N 2.92Å; I93-L99 HydrophobicContact CG2-CD2 4.15Å; I93-L106 HydrophobicContact CD1-CD2 3.48Å; I93-L106 VanDerWaalsContact CD1-CD2 3.48Å; I93-H143 CarbonylContact O-C 3.54Å; I93-H143 WeakPolarHBondContact O-CA 3.27Å; I93-L144 HydrophobicContact CB-CB 4.16Å; I93-L144 HydrophobicContact CG2-CB 4.22Å; I93-L144 HydrophobicContact CG2-CD2 4.26Å; I93-L144 WeakPolarHBondContact O-CB 3.49Å; I93-L144 PolarHBondContact O-N 2.93Å
94	G	94.6	Very high	95.8	Very high	17 Å²	17	46.8 Å²	46.8	18%	0.175	22%	0.218	C	C	.	.			trans	-55.6	-58.8	-165.5	0	0	0	0	0	115.3	S142 H143	G94-S142 CarbonylContact O-C 3.6Å; G94-S142 WeakPolarHBondContact O-CA 3.34Å; G94-S142 PolarHBondContact O-OG 3.24Å; G94-H143 CarbonylContact O-C 3.47Å; G94-H143 WeakPolarHBondContact O-CA 3.43Å; G94-H143 PolarHBondContact O-N 2.85Å
95	N	94.9	Very high	95.8	Very high	24 Å²	24	53.2 Å²	53.2	13%	0.128	25%	0.248	C	C	.	.			trans	-168.9	-178.9	177.2	54	74.5	0	0	0	111.5	I93 R97 T98 P136	I93-N95 PolarHBondContact O-N 2.92Å; N95-R97 PolarHBondContact O-N 3.28Å; N95-R97 WeakPolarHBondContact OD1-CA 3.5Å; N95-R97 VanDerWaalsContact OD1-CB 3.23Å; N95-R97 WeakPolarHBondContact OD1-CB 3.4Å; N95-R97 PolarHBondContact OD1-N 3.43Å; N95-T98 PolarHBondContact N-OG1 2.98Å; N95-T98 PolarHBondContact O-N 2.93Å; N95-T98 PolarHBondContact O-OG1 2.84Å; N95-T98 PolarHBondContact OD1-N 2.75Å; N95-P136 HydrophobicContact CB-CG 4.13Å; N95-P136 VanDerWaalsContact OD1-CG 3.26Å; N95-P136 WeakPolarHBondContact OD1-CG 3.29Å
96	C	93.9	Very high	95.8	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.034	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.3	179.7	55	0	0	0	0	114.5	F133 H134 M135 L144 L176	C96-F133 HydrophobicContact CB-CB 3.72Å; C96-F133 HydrophobicContact CB-CD1 4.18Å; C96-F133 HydrophobicContact CB-CD2 4.47Å; C96-F133 HydrophobicContact CB-CG 3.89Å; C96-H134 PolarHBondContact SG-O 3.31Å; C96-M135 PolarHBondContact SG-SD 3.41Å; C96-L144 HydrophobicContact CB-CD1 4.16Å; C96-L176 HydrophobicContact CB-CD1 4.33Å; C96-L176 HydrophobicContact CB-CD2 3.7Å
97	R	93.3	Very high	95.7	Very high	155 Å²	155	54 Å²	54	59%	0.585	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-78.5	-19.9	175.7	-165.4	-171.5	-67.3	-83.7	7.9	112.6	N95 P136	N95-R97 PolarHBondContact O-N 3.28Å; N95-R97 WeakPolarHBondContact OD1-CA 3.5Å; N95-R97 VanDerWaalsContact OD1-CB 3.23Å; N95-R97 WeakPolarHBondContact OD1-CB 3.4Å; N95-R97 PolarHBondContact OD1-N 3.43Å; R97-P136 HydrophobicContact CB-CG 4.32Å; R97-P136 PolarHBondContact NH2-O 3.45Å
98	T	91.9	Very high	95.7	Very high	71 Å²	71	57.3 Å²	57.3	44%	0.436	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-87.9	-3.6	176.2	57.5	0	0	0	0	113.7	N95	N95-T98 PolarHBondContact N-OG1 2.98Å; N95-T98 PolarHBondContact O-N 2.93Å; N95-T98 PolarHBondContact O-OG1 2.84Å; N95-T98 PolarHBondContact OD1-N 2.75Å
99	L	94.6	Very high	95.7	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.079	28%	0.281	C	S	.	.			trans	-70.5	150.6	176	-70.5	173.2	0	0	0	111.9	I93 Q103 L106 V107 L144 L176 L180	I93-L99 HydrophobicContact CG2-CD2 4.15Å; L99-Q103 HydrophobicContact CD2-CB 3.89Å; L99-L106 HydrophobicContact CD2-CD2 4.3Å; L99-V107 HydrophobicContact CD1-CG2 3.65Å; L99-L144 HydrophobicContact CD1-CD1 3.98Å; L99-L144 HydrophobicContact CD1-CD2 4.27Å; L99-L144 HydrophobicContact CD2-CD2 3.96Å; L99-L144 HydrophobicContact CG-CD1 4.38Å; L99-L144 HydrophobicContact CG-CD2 4.45Å; L99-L176 HydrophobicContact CD1-CD2 4.01Å; L99-L180 HydrophobicContact CB-CD1 3.99Å; L99-L180 HydrophobicContact CB-CD2 3.98Å; L99-L180 HydrophobicContact CD1-CD1 4.16Å
100	R	93.6	Very high	95.8	Very high	137 Å²	137	59.6 Å²	59.6	52%	0.517	28%	0.28	S	S	.	.			trans	-120.5	170.9	178.6	-59.2	-175.8	-53.4	-84.1	-0.7	111.6	D102 Q103	R100-D102 WeakPolarHBondContact CB-OD1 3.41Å; R100-D102 IonicContact CZ-OD1 3.85Å; R100-D102 IonicContact CZ-OD2 3.48Å; R100-D102 IonicContact NE-OD1 2.9Å; R100-D102 PolarHBondContact NE-OD1 3.38Å; R100-D102 IonicContact NE-OD2 3.31Å; R100-D102 PolarHBondContact NE-OD2 3.23Å; R100-D102 IonicContact NH2-OD1 3.31Å; R100-D102 IonicContact NH2-OD2 2.72Å; R100-D102 PolarHBondContact NH2-OD2 3.38Å; R100-D102 PolarHBondContact O-N 3.01Å; R100-Q103 WeakPolarHBondContact O-CB 3.49Å; R100-Q103 PolarHBondContact O-N 3.38Å
101	K	94.1	Very high	95.9	Very high	121 Å²	121	56 Å²	56	53%	0.526	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.8	179.5	-54.9	-150.9	168.5	-168.7	0	113.7	Q103 V104 L180 R181 T182	K101-Q103 PolarHBondContact O-N 3.46Å; K101-V104 WeakPolarHBondContact O-CG2 3.29Å; K101-L180 WeakPolarHBondContact CA-O 3.18Å; K101-L180 WeakPolarHBondContact CB-O 3.44Å; K101-L180 WeakPolarHBondContact CD-O 3.42Å; K101-L180 WeakPolarHBondContact CG-O 3.22Å; K101-R181 PolarHBondContact NZ-O 3.22Å; K101-T182 WeakPolarHBondContact CE-OXT 3.37Å; K101-T182 PolarHBondContact NZ-O 3.3Å; K101-T182 PolarHBondContact NZ-OXT 2.6Å
102	D	93.7	Very high	96	Very high	109 Å²	109	55.1 Å²	55.1	58%	0.583	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-72.4	-0.1	175	57.6	-61.2	0	0	0	114	R100	R100-D102 WeakPolarHBondContact CB-OD1 3.41Å; R100-D102 IonicContact CZ-OD1 3.85Å; R100-D102 IonicContact CZ-OD2 3.48Å; R100-D102 IonicContact NE-OD1 2.9Å; R100-D102 PolarHBondContact NE-OD1 3.38Å; R100-D102 IonicContact NE-OD2 3.31Å; R100-D102 PolarHBondContact NE-OD2 3.23Å; R100-D102 IonicContact NH2-OD1 3.31Å; R100-D102 IonicContact NH2-OD2 2.72Å; R100-D102 PolarHBondContact NH2-OD2 3.38Å; R100-D102 PolarHBondContact O-N 3.01Å
103	Q	95.4	Very high	96.1	Very high	28 Å²	28	53.3 Å²	53.3	13%	0.131	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-117.6	17	-178.3	-52.9	-174.7	-85	0	0	113.2	L99 R100 K101 E105 L106	L99-Q103 HydrophobicContact CD2-CB 3.89Å; R100-Q103 WeakPolarHBondContact O-CB 3.49Å; R100-Q103 PolarHBondContact O-N 3.38Å; K101-Q103 PolarHBondContact O-N 3.46Å; Q103-E105 VanDerWaalsContact C-N 3.35Å; Q103-L106 WeakPolarHBondContact O-CB 3.34Å; Q103-L106 PolarHBondContact O-N 3.17Å
104	V	97.1	Very high	96.2	Very high	14 Å²	14	52 Å²	52	9%	0.085	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-46.5	173.8	169.3	0	0	0	0	111.4	K101 L106 V107 E108 I177 L180 R181	K101-V104 WeakPolarHBondContact O-CG2 3.29Å; V104-L106 PolarHBondContact O-N 3.48Å; V104-V107 PolarHBondContact O-N 2.81Å; V104-E108 HydrophobicContact CG1-CG 4.45Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.5Å; V104-E108 PolarHBondContact O-N 2.82Å; V104-E108 VanDerWaalsContact O-N 3.08Å; V104-I177 HydrophobicContact CG1-CG2 4.07Å; V104-L180 HydrophobicContact CG2-CB 3.52Å; V104-L180 HydrophobicContact CG2-CD1 4.49Å; V104-R181 HydrophobicContact CG1-CG 4.48Å; V104-R181 HydrophobicContact CG2-CG 4.13Å
105	E	97.7	Very high	96.4	Very high	138 Å²	138	55.4 Å²	55.4	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-58.8	-35.1	-179.7	-174.8	-178.2	170.4	0	0	112.4	Q103 V107 E108 N109	Q103-E105 VanDerWaalsContact C-N 3.35Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.95Å; E105-E108 PolarHBondContact O-N 3.12Å; E105-N109 WeakPolarHBondContact O-CB 3.33Å; E105-N109 PolarHBondContact O-N 2.62Å; E105-N109 PolarHBondContact O-ND2 3.38Å
106	L	97.8	Very high	96.5	Very high	34 Å²	34	56.2 Å²	56.2	18%	0.178	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-43.3	174.3	174.8	63	0	0	0	111.3	L71 P89 I93 L99 Q103 V104 N109 M110 L144	L71-L106 HydrophobicContact CD2-CD1 3.94Å; P89-L106 HydrophobicContact CB-CD1 4.38Å; I93-L106 HydrophobicContact CD1-CD2 3.48Å; I93-L106 VanDerWaalsContact CD1-CD2 3.48Å; L99-L106 HydrophobicContact CD2-CD2 4.3Å; Q103-L106 WeakPolarHBondContact O-CB 3.34Å; Q103-L106 PolarHBondContact O-N 3.17Å; V104-L106 PolarHBondContact O-N 3.48Å; L106-N109 PolarHBondContact O-N 2.88Å; L106-M110 HydrophobicContact CD1-CG 4.39Å; L106-M110 HydrophobicContact CD1-SD 4.37Å; L106-M110 HydrophobicContact CG-SD 4.2Å; L106-M110 VanDerWaalsContact O-CG 3.22Å; L106-M110 WeakPolarHBondContact O-CG 3.46Å; L106-M110 PolarHBondContact O-N 3.43Å; L106-L144 HydrophobicContact CD2-CD2 4Å
107	V	98.3	Very high	96.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.1	-39.2	179.1	-172	0	0	0	0	110.9	L99 V104 E105 M110 V111 F133 A173 L176 I177 L180	L99-V107 HydrophobicContact CD1-CG2 3.65Å; V104-V107 PolarHBondContact O-N 2.81Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.95Å; V107-M110 PolarHBondContact O-N 2.73Å; V107-V111 WeakPolarHBondContact O-CG2 3.26Å; V107-V111 PolarHBondContact O-N 3.18Å; V107-F133 HydrophobicContact CG1-CE2 3.84Å; V107-F133 HydrophobicContact CG1-CZ 3.97Å; V107-A173 HydrophobicContact CG1-CB 4.29Å; V107-L176 HydrophobicContact CG1-CD2 4.39Å; V107-L176 HydrophobicContact CG2-CD2 4.4Å; V107-I177 HydrophobicContact CB-CD1 4.25Å; V107-I177 HydrophobicContact CB-CG1 3.86Å; V107-I177 HydrophobicContact CG1-CD1 3.84Å; V107-I177 HydrophobicContact CG1-CG1 3.68Å; V107-L180 HydrophobicContact CG2-CD1 4.16Å
108	E	98.4	Very high	97	Very high	68 Å²	68	48.8 Å²	48.8	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-38.5	175.9	-69.4	179.1	139.9	0	0	111.6	V104 E105 V111 T112 I177 R181	V104-E108 HydrophobicContact CG1-CG 4.45Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.5Å; V104-E108 PolarHBondContact O-N 2.82Å; V104-E108 VanDerWaalsContact O-N 3.08Å; E105-E108 PolarHBondContact O-N 3.12Å; E108-V111 PolarHBondContact O-N 3.45Å; E108-T112 WeakPolarHBondContact O-CB 3.23Å; E108-T112 PolarHBondContact O-N 2.72Å; E108-T112 PolarHBondContact O-OG1 3.35Å; E108-I177 HydrophobicContact CG-CD1 3.55Å; E108-I177 HydrophobicContact CG-CG1 4.1Å; E108-R181 IonicContact OE1-CZ 3.77Å; E108-R181 VanDerWaalsContact OE1-CZ 3.23Å; E108-R181 IonicContact OE1-NH1 2.68Å; E108-R181 PolarHBondContact OE1-NH1 2.7Å; E108-R181 IonicContact OE1-NH2 2.68Å; E108-R181 PolarHBondContact OE1-NH2 3.11Å; E108-R181 IonicContact OE2-CZ 2.7Å; E108-R181 IonicContact OE2-NH2 3.73Å; E108-R181 PolarHBondContact OE2-NH2 2.79Å
109	N	98.5	Very high	97.3	Very high	52 Å²	52	49.9 Å²	49.9	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-40.3	172.4	-77.9	-31	0	0	0	112.4	L71 E105 L106 T112 V113	L71-N109 HydrophobicContact CD1-CB 4.19Å; E105-N109 WeakPolarHBondContact O-CB 3.33Å; E105-N109 PolarHBondContact O-N 2.62Å; E105-N109 PolarHBondContact O-ND2 3.38Å; L106-N109 PolarHBondContact O-N 2.88Å; N109-T112 PolarHBondContact O-N 3.07Å; N109-V113 PolarHBondContact O-N 3.2Å
110	M	98.7	Very high	97.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-42.2	175	-70.4	173.1	85.7	0	0	111.9	L71 V87 L106 V107 G114 F133 L144 L146	L71-M110 HydrophobicContact CD1-CG 3.98Å; L71-M110 HydrophobicContact CD2-CG 3.7Å; V87-M110 HydrophobicContact CG1-CB 4.15Å; V87-M110 HydrophobicContact CG1-CG 4.18Å; V87-M110 WeakPolarHBondContact O-CE 3.42Å; L106-M110 HydrophobicContact CD1-CG 4.39Å; L106-M110 HydrophobicContact CD1-SD 4.37Å; L106-M110 HydrophobicContact CG-SD 4.2Å; L106-M110 VanDerWaalsContact O-CG 3.22Å; L106-M110 WeakPolarHBondContact O-CG 3.46Å; L106-M110 PolarHBondContact O-N 3.43Å; V107-M110 PolarHBondContact O-N 2.73Å; M110-G114 PolarHBondContact O-N 3.25Å; M110-F133 HydrophobicContact CE-CE1 4.07Å; M110-F133 HydrophobicContact SD-CE1 4.38Å; M110-F133 HydrophobicContact SD-CZ 4.39Å; M110-L144 HydrophobicContact CE-CD2 4.27Å; M110-L144 HydrophobicContact CE-CG 4.17Å; M110-L144 HydrophobicContact SD-CD2 3.82Å; M110-L144 HydrophobicContact SD-CG 4.32Å; M110-L146 HydrophobicContact CB-CB 4.33Å; M110-L146 HydrophobicContact CB-CD2 4.03Å; M110-L146 HydrophobicContact CE-CB 3.88Å; M110-L146 WeakPolarHBondContact O-CD2 3.37Å
111	V	98.6	Very high	97.5	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-42.4	173.8	168.4	0	0	0	0	111.2	V107 E108 G114 K115 M131 L146 A173	V107-V111 WeakPolarHBondContact O-CG2 3.26Å; V107-V111 PolarHBondContact O-N 3.18Å; E108-V111 PolarHBondContact O-N 3.45Å; V111-G114 PolarHBondContact O-N 3.08Å; V111-K115 HydrophobicContact CG1-CD 4.4Å; V111-K115 WeakPolarHBondContact O-CG 3.47Å; V111-K115 PolarHBondContact O-N 3.06Å; V111-M131 HydrophobicContact CB-SD 4.4Å; V111-M131 HydrophobicContact CG1-SD 3.97Å; V111-M131 HydrophobicContact CG2-SD 4.47Å; V111-L146 HydrophobicContact CG2-CD2 4.06Å; V111-A173 HydrophobicContact CG2-CB 3.33Å
112	T	98.5	Very high	97.6	Very high	79 Å²	79	51.6 Å²	51.6	49%	0.485	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-49.8	179.1	-58.3	0	0	0	0	111.1	E108 N109 G114 K115 T116	E108-T112 WeakPolarHBondContact O-CB 3.23Å; E108-T112 PolarHBondContact O-N 2.72Å; E108-T112 PolarHBondContact O-OG1 3.35Å; N109-T112 PolarHBondContact O-N 3.07Å; T112-G114 VanDerWaalsContact C-N 3.29Å; T112-G114 PolarHBondContact O-N 3.39Å; T112-K115 PolarHBondContact O-N 2.88Å; T112-K115 VanDerWaalsContact O-N 3.12Å; T112-T116 PolarHBondContact O-N 3.43Å; T112-T116 PolarHBondContact O-OG1 2.92Å
113	V	98.6	Very high	97.8	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-42.5	172.6	167.5	0	0	0	0	111.3	C66 N68 L71 C73 V87 N109 K115 T116 I117	C66-V113 HydrophobicContact CB-CB 4.45Å; C66-V113 HydrophobicContact CB-CG1 3.55Å; C66-V113 HydrophobicContact CB-CG2 4.04Å; N68-V113 HydrophobicContact CB-CG2 3.95Å; L71-V113 HydrophobicContact CD1-CB 4.27Å; L71-V113 HydrophobicContact CD1-CG2 3.75Å; C73-V113 HydrophobicContact CB-CG1 4.27Å; V87-V113 HydrophobicContact CG1-CB 4.06Å; V87-V113 HydrophobicContact CG1-CG1 3.79Å; V87-V113 HydrophobicContact CG2-CG1 4.03Å; N109-V113 PolarHBondContact O-N 3.2Å; V113-K115 VanDerWaalsContact C-N 3.3Å; V113-K115 PolarHBondContact O-N 3.3Å; V113-T116 PolarHBondContact O-N 2.96Å; V113-I117 HydrophobicContact CG1-CG1 4.13Å; V113-I117 WeakPolarHBondContact O-CB 3.45Å; V113-I117 WeakPolarHBondContact O-CG1 3Å; V113-I117 PolarHBondContact O-N 2.76Å
114	G	98.5	Very high	97.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-40.2	176.1	0	0	0	0	0	113.7	M110 V111 T112 L118	M110-G114 PolarHBondContact O-N 3.25Å; V111-G114 PolarHBondContact O-N 3.08Å; T112-G114 VanDerWaalsContact C-N 3.29Å; T112-G114 PolarHBondContact O-N 3.39Å; G114-L118 WeakPolarHBondContact O-CG 3.09Å; G114-L118 PolarHBondContact O-N 2.75Å
115	K	98.3	Very high	97.8	Very high	89 Å²	89	53.9 Å²	53.9	39%	0.387	27%	0.274	S	S	.	.	H	α-helix	trans	-70.3	-48.7	177.4	-68.7	179	-178.4	173.5	0	111.7	V111 T112 V113 I117 L118 E119 F126 M131	V111-K115 HydrophobicContact CG1-CD 4.4Å; V111-K115 WeakPolarHBondContact O-CG 3.47Å; V111-K115 PolarHBondContact O-N 3.06Å; T112-K115 PolarHBondContact O-N 2.88Å; T112-K115 VanDerWaalsContact O-N 3.12Å; V113-K115 VanDerWaalsContact C-N 3.3Å; V113-K115 PolarHBondContact O-N 3.3Å; K115-I117 PolarHBondContact O-N 2.96Å; K115-L118 WeakPolarHBondContact O-CB 3.36Å; K115-L118 PolarHBondContact O-N 2.96Å; K115-E119 WeakPolarHBondContact O-CG 3.38Å; K115-E119 PolarHBondContact O-N 3.14Å; K115-F126 HydrophobicContact CB-CE1 3.73Å; K115-F126 HydrophobicContact CB-CZ 3.86Å; K115-F126 HydrophobicContact CD-CE1 4.32Å; K115-F126 HydrophobicContact CG-CD1 4.22Å; K115-F126 HydrophobicContact CG-CE1 3.64Å; K115-F126 HydrophobicContact CG-CZ 4.16Å; K115-M131 HydrophobicContact CB-CE 4.42Å; K115-M131 HydrophobicContact CG-CE 3.53Å; K115-M131 HydrophobicContact CG-SD 4.39Å
116	T	98.1	Very high	97.7	Very high	41 Å²	41	51 Å²	51	25%	0.252	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-33.6	178.2	-56.5	0	0	0	0	112.6	T112 V113 E119 R120	T112-T116 PolarHBondContact O-N 3.43Å; T112-T116 PolarHBondContact O-OG1 2.92Å; V113-T116 PolarHBondContact O-N 2.96Å; T116-E119 WeakPolarHBondContact CA-OE2 3.43Å; T116-R120 WeakPolarHBondContact O-CB 3.45Å; T116-R120 WeakPolarHBondContact O-CG 3.33Å; T116-R120 PolarHBondContact O-N 3.12Å
117	I	98.2	Very high	97.6	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-70.6	-38.2	174.9	-67.4	-70.8	0	0	0	111.7	L64 Y65 C73 Y85 V113 K115 N121	L64-I117 HydrophobicContact CB-CD1 3.89Å; L64-I117 HydrophobicContact CD1-CG2 3.91Å; Y65-I117 WeakPolarHBondContact O-CD1 3.44Å; C73-I117 HydrophobicContact CB-CD1 4.3Å; C73-I117 HydrophobicContact CB-CG1 4.14Å; Y85-I117 HydrophobicContact CD1-CG2 4.42Å; Y85-I117 HydrophobicContact CD2-CG2 3.69Å; Y85-I117 HydrophobicContact CE2-CG2 3.79Å; Y85-I117 HydrophobicContact CG-CG2 4.03Å; V113-I117 HydrophobicContact CG1-CG1 4.13Å; V113-I117 WeakPolarHBondContact O-CB 3.45Å; V113-I117 WeakPolarHBondContact O-CG1 3Å; V113-I117 PolarHBondContact O-N 2.76Å; K115-I117 PolarHBondContact O-N 2.96Å; I117-N121 PolarHBondContact O-N 3.35Å; I117-N121 VanDerWaalsContact O-N 3.16Å; I117-N121 PolarHBondContact O-ND2 2.95Å
118	L	98.3	Very high	97.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-47.7	172.6	-75	166.7	0	0	0	111.4	H83 Y85 G114 K115 R120 N121 N122 F123 F126 V129 M131 V148 A150	H83-L118 HydrophobicContact CB-CD2 3.65Å; Y85-L118 HydrophobicContact CD2-CD2 4.49Å; Y85-L118 HydrophobicContact CE2-CD2 4.06Å; G114-L118 WeakPolarHBondContact O-CG 3.09Å; G114-L118 PolarHBondContact O-N 2.75Å; K115-L118 WeakPolarHBondContact O-CB 3.36Å; K115-L118 PolarHBondContact O-N 2.96Å; L118-R120 PolarHBondContact O-N 3.24Å; L118-N121 CarbonylContact O-C 3.35Å; L118-N121 WeakPolarHBondContact O-CA 3.2Å; L118-N121 PolarHBondContact O-N 2.98Å; L118-N122 PolarHBondContact O-N 3.02Å; L118-F123 CarbonylContact C-O 3.27Å; L118-F123 VanDerWaalsContact C-O 3.27Å; L118-F123 HydrophobicContact CB-CB 4.24Å; L118-F123 HydrophobicContact CB-CD1 4.36Å; L118-F123 HydrophobicContact CD1-CD1 4.49Å; L118-F123 HydrophobicContact CD2-CB 4.08Å; L118-F123 HydrophobicContact CD2-CD1 4Å; L118-F123 HydrophobicContact CD2-CG 4.13Å; L118-F123 PolarHBondContact O-N 2.94Å; L118-F126 HydrophobicContact CB-CE1 4.47Å; L118-F126 HydrophobicContact CD1-CE1 4.2Å; L118-V129 HydrophobicContact CD1-CG1 3.76Å; L118-V129 HydrophobicContact CD1-CG2 3.91Å; L118-M131 HydrophobicContact CD1-CE 3.81Å; L118-V148 HydrophobicContact CD1-CG1 3.72Å; L118-V148 HydrophobicContact CD2-CG1 4.32Å; L118-V148 HydrophobicContact CG-CG1 3.92Å; L118-A150 HydrophobicContact CD1-CB 4.46Å; L118-A150 HydrophobicContact CD2-CB 3.67Å
119	E	97.7	Very high	97.5	Very high	94 Å²	94	55.1 Å²	55.1	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-45	178.2	-68.9	165.2	156.5	0	0	111.8	K115 T116 N121 N122 F123 F126	K115-E119 WeakPolarHBondContact O-CG 3.38Å; K115-E119 PolarHBondContact O-N 3.14Å; T116-E119 WeakPolarHBondContact CA-OE2 3.43Å; E119-N121 PolarHBondContact O-N 3.21Å; E119-N122 WeakPolarHBondContact O-CA 3.33Å; E119-N122 PolarHBondContact O-N 3.46Å; E119-F123 PolarHBondContact N-O 3.19Å; E119-F126 HydrophobicContact CG-CE2 4.18Å; E119-F126 HydrophobicContact CG-CZ 3.74Å; E119-F126 WeakPolarHBondContact OE1-CE2 3.49Å; E119-F126 WeakPolarHBondContact OE1-CZ 3.45Å
120	R	96.9	Very high	97.5	Very high	104 Å²	104	55 Å²	55	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-22.5	174.7	-75.3	171.8	-178.9	-176.8	0.6	113.8	Y65 E67 T116 L118	Y65-R120 PolarHBondContact O-NH1 3.03Å; E67-R120 IonicContact OE1-CZ 2.96Å; E67-R120 IonicContact OE1-NH2 3.54Å; E67-R120 PolarHBondContact OE1-NH2 3.03Å; T116-R120 WeakPolarHBondContact O-CB 3.45Å; T116-R120 WeakPolarHBondContact O-CG 3.33Å; T116-R120 PolarHBondContact O-N 3.12Å; L118-R120 PolarHBondContact O-N 3.24Å
121	N	96.3	Very high	97.5	Very high	56 Å²	56	55.8 Å²	55.8	30%	0.299	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	17.7	174.2	-72.9	-98.7	0	0	0	112.4	Y85 I117 L118 E119 F123	Y85-N121 WeakPolarHBondContact OH-CB 3.31Å; Y85-N121 PolarHBondContact OH-OD1 2.85Å; Y85-N121 VanDerWaalsContact OH-OD1 3.12Å; I117-N121 PolarHBondContact O-N 3.35Å; I117-N121 VanDerWaalsContact O-N 3.16Å; I117-N121 PolarHBondContact O-ND2 2.95Å; L118-N121 CarbonylContact O-C 3.35Å; L118-N121 WeakPolarHBondContact O-CA 3.2Å; L118-N121 PolarHBondContact O-N 2.98Å; E119-N121 PolarHBondContact O-N 3.21Å; N121-F123 VanDerWaalsContact C-N 3.3Å; N121-F123 PolarHBondContact O-N 3.35Å
122	N	96.3	Very high	97.5	Very high	150 Å²	150	55.2 Å²	55.2	80%	0.802	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	19.7	178.5	-49.2	-83.6	0	0	0	115.4	L118 E119	L118-N122 PolarHBondContact O-N 3.02Å; E119-N122 WeakPolarHBondContact O-CA 3.33Å; E119-N122 PolarHBondContact O-N 3.46Å
123	F	97.4	Very high	97.4	Very high	27 Å²	27	51.5 Å²	51.5	12%	0.118	26%	0.263	C	S	.	.			trans	-101.3	118.1	175.7	-169.2	-79.1	0	0	0	111	H83 L118 E119 N121 D125 N128 V129 A150 P151	H83-F123 AromaticContact CD2-CD2 3.59Å; H83-F123 AromaticContact CD2-CG 3.99Å; H83-F123 AromaticContact NE2-CD2 3.68Å; L118-F123 CarbonylContact C-O 3.27Å; L118-F123 VanDerWaalsContact C-O 3.27Å; L118-F123 HydrophobicContact CB-CB 4.24Å; L118-F123 HydrophobicContact CB-CD1 4.36Å; L118-F123 HydrophobicContact CD1-CD1 4.49Å; L118-F123 HydrophobicContact CD2-CB 4.08Å; L118-F123 HydrophobicContact CD2-CD1 4Å; L118-F123 HydrophobicContact CD2-CG 4.13Å; L118-F123 PolarHBondContact O-N 2.94Å; E119-F123 PolarHBondContact N-O 3.19Å; N121-F123 VanDerWaalsContact C-N 3.3Å; N121-F123 PolarHBondContact O-N 3.35Å; F123-D125 HydrophobicContact CE1-CB 4.23Å; F123-D125 WeakPolarHBondContact CE1-O 3.43Å; F123-D125 HydrophobicContact CZ-CB 4.08Å; F123-N128 HydrophobicContact CZ-CB 4.44Å; F123-V129 HydrophobicContact CD1-CG2 4.18Å; F123-V129 HydrophobicContact CE1-CG2 3.51Å; F123-V129 HydrophobicContact CZ-CG2 4.4Å; F123-A150 HydrophobicContact CD1-CB 3.85Å; F123-A150 HydrophobicContact CD2-CB 4.2Å; F123-A150 HydrophobicContact CE1-CB 3.6Å; F123-A150 HydrophobicContact CE2-CB 3.96Å; F123-A150 HydrophobicContact CG-CB 4.16Å; F123-A150 HydrophobicContact CZ-CB 3.67Å; F123-P151 HydrophobicContact CE2-CB 4.02Å; F123-P151 HydrophobicContact CE2-CG 4.44Å; F123-P151 HydrophobicContact CZ-CB 4.19Å
124	T	95.6	Very high	97.3	Very high	103 Å²	103	51.8 Å²	51.8	63%	0.632	26%	0.264	S	S	*	.			trans	-127	-6	-172.9	55	0	0	0	0	115.1	F126	T124-F126 VanDerWaalsContact C-N 3.3Å; T124-F126 PolarHBondContact O-N 3.28Å
125	D	96.8	Very high	97.1	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.364	27%	0.27	S	S	.	.			trans	-79.2	77.2	175.5	179.5	11.5	0	0	0	111.5	F123 T127 N128	F123-D125 HydrophobicContact CE1-CB 4.23Å; F123-D125 WeakPolarHBondContact CE1-O 3.43Å; F123-D125 HydrophobicContact CZ-CB 4.08Å; D125-T127 PolarHBondContact O-N 2.8Å; D125-T127 WeakPolarHBondContact OD1-CB 3.41Å; D125-T127 PolarHBondContact OD1-N 3.4Å; D125-T127 VanDerWaalsContact OD1-N 3.08Å; D125-T127 PolarHBondContact OD1-OG1 2.88Å; D125-N128 PolarHBondContact O-N 3.37Å; D125-N128 VanDerWaalsContact OD2-CB 3.31Å; D125-N128 WeakPolarHBondContact OD2-CB 3.45Å
126	F	95.9	Very high	96.6	Very high	79 Å²	79	50.2 Å²	50.2	35%	0.346	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.8	-8.3	177.8	-69.6	-63.2	0	0	0	114.9	K115 L118 E119 T124 N128 V129	K115-F126 HydrophobicContact CB-CE1 3.73Å; K115-F126 HydrophobicContact CB-CZ 3.86Å; K115-F126 HydrophobicContact CD-CE1 4.32Å; K115-F126 HydrophobicContact CG-CD1 4.22Å; K115-F126 HydrophobicContact CG-CE1 3.64Å; K115-F126 HydrophobicContact CG-CZ 4.16Å; L118-F126 HydrophobicContact CB-CE1 4.47Å; L118-F126 HydrophobicContact CD1-CE1 4.2Å; E119-F126 HydrophobicContact CG-CE2 4.18Å; E119-F126 HydrophobicContact CG-CZ 3.74Å; E119-F126 WeakPolarHBondContact OE1-CE2 3.49Å; E119-F126 WeakPolarHBondContact OE1-CZ 3.45Å; T124-F126 VanDerWaalsContact C-N 3.3Å; T124-F126 PolarHBondContact O-N 3.28Å; F126-N128 VanDerWaalsContact C-N 3.33Å; F126-V129 HydrophobicContact CD1-CG2 4.09Å
127	T	96.3	Very high	96.2	Very high	130 Å²	130	53.7 Å²	53.7	80%	0.798	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-75.7	-26.1	171.8	78.4	0	0	0	0	112	D125	D125-T127 PolarHBondContact O-N 2.8Å; D125-T127 WeakPolarHBondContact OD1-CB 3.41Å; D125-T127 PolarHBondContact OD1-N 3.4Å; D125-T127 VanDerWaalsContact OD1-N 3.08Å; D125-T127 PolarHBondContact OD1-OG1 2.88Å
128	N	96.9	Very high	95.6	Very high	28 Å²	28	59.1 Å²	59.1	15%	0.15	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-101.9	31	-178.1	-151.9	-25.9	0	0	0	112.3	F123 D125 F126 P151 V152 D153	F123-N128 HydrophobicContact CZ-CB 4.44Å; D125-N128 PolarHBondContact O-N 3.37Å; D125-N128 VanDerWaalsContact OD2-CB 3.31Å; D125-N128 WeakPolarHBondContact OD2-CB 3.45Å; F126-N128 VanDerWaalsContact C-N 3.33Å; N128-P151 HydrophobicContact CB-CB 4.38Å; N128-P151 CarbonylContact O-C 3.54Å; N128-P151 VanDerWaalsContact O-CA 3.31Å; N128-P151 WeakPolarHBondContact O-CA 3.44Å; N128-V152 WeakPolarHBondContact O-CG2 3.42Å; N128-V152 PolarHBondContact O-N 3.14Å; N128-V152 WeakPolarHBondContact OD1-CA 3.49Å; N128-V152 WeakPolarHBondContact OD1-CB 3.42Å; N128-V152 PolarHBondContact OD1-N 3.33Å; N128-D153 PolarHBondContact ND2-OD2 3.48Å; N128-D153 PolarHBondContact OD1-N 3.47Å; N128-D153 VanDerWaalsContact OD1-N 3.15Å; N128-D153 PolarHBondContact OD1-OD2 2.86Å
129	V	97.9	Very high	94.9	Very high	29 Å²	29	60.4 Å²	60.4	18%	0.176	32%	0.316	C	S	.	.			trans	-115.2	145.4	-178.7	-179.5	0	0	0	0	110.9	L118 F123 F126 M131 L149 A150 V152	L118-V129 HydrophobicContact CD1-CG1 3.76Å; L118-V129 HydrophobicContact CD1-CG2 3.91Å; F123-V129 HydrophobicContact CD1-CG2 4.18Å; F123-V129 HydrophobicContact CE1-CG2 3.51Å; F123-V129 HydrophobicContact CZ-CG2 4.4Å; F126-V129 HydrophobicContact CD1-CG2 4.09Å; V129-M131 HydrophobicContact CG1-CE 3.72Å; V129-M131 HydrophobicContact CG1-CG 3.93Å; V129-L149 WeakPolarHBondContact CA-O 3.27Å; V129-A150 HydrophobicContact CG2-CB 3.94Å; V129-V152 VanDerWaalsContact C-CG2 3.47Å
130	R	98	Very high	94.4	Very high	50 Å²	50	61.8 Å²	61.8	19%	0.189	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.5	168.3	-174.8	161.6	-62	154.4	12.5	110.6	L149 V152 Y163 F170	R130-L149 HydrophobicContact CB-CB 4.3Å; R130-L149 PolarHBondContact N-O 3.01Å; R130-L149 PolarHBondContact O-N 2.93Å; R130-V152 HydrophobicContact CB-CG2 3.55Å; R130-V152 VanDerWaalsContact NH2-CG1 3.32Å; R130-Y163 WeakPolarHBondContact CD-O 3.5Å; R130-Y163 PolarHBondContact NH1-O 2.98Å; R130-F170 HydrophobicContact CG-CE1 3.9Å; R130-F170 HydrophobicContact CG-CZ 4.04Å
131	M	98.5	Very high	94.2	Very high	17 Å²	17	59.1 Å²	59.1	8%	0.084	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.2	173.2	-59.7	-163.4	-170.4	0	0	110.1	V111 K115 L118 V129 L146 H147 V148 T172 A173	V111-M131 HydrophobicContact CB-SD 4.4Å; V111-M131 HydrophobicContact CG1-SD 3.97Å; V111-M131 HydrophobicContact CG2-SD 4.47Å; K115-M131 HydrophobicContact CB-CE 4.42Å; K115-M131 HydrophobicContact CG-CE 3.53Å; K115-M131 HydrophobicContact CG-SD 4.39Å; L118-M131 HydrophobicContact CD1-CE 3.81Å; V129-M131 HydrophobicContact CG1-CE 3.72Å; V129-M131 HydrophobicContact CG1-CG 3.93Å; M131-L146 HydrophobicContact CB-CD1 4.16Å; M131-L146 HydrophobicContact CB-CD2 4.41Å; M131-L146 HydrophobicContact SD-CD2 4.32Å; M131-H147 VanDerWaalsContact CA-O 3.3Å; M131-H147 WeakPolarHBondContact CA-O 3.11Å; M131-V148 HydrophobicContact CE-CG1 4.01Å; M131-V148 HydrophobicContact CG-CG2 4.3Å; M131-V148 HydrophobicContact SD-CG2 4.21Å; M131-T172 WeakPolarHBondContact O-CA 3.41Å; M131-A173 HydrophobicContact CB-CB 4.46Å; M131-A173 PolarHBondContact O-N 3.38Å
132	G	97.9	Very high	94.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-173.9	179.9	0	0	0	0	0	115.4	H147 F170 I171	G132-H147 PolarHBondContact N-O 3.44Å; G132-H147 VanDerWaalsContact N-O 3.1Å; G132-H147 PolarHBondContact O-N 3.06Å; G132-F170 VanDerWaalsContact CA-CZ 3.45Å; G132-I171 CarbonylContact C-O 3.49Å; G132-I171 WeakPolarHBondContact CA-O 3.24Å
133	F	97.8	Very high	94.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.7	-168.2	-57.7	-95	0	0	0	111	C96 V107 M110 L144 H145 L146 F170 I171 A173 L176	C96-F133 HydrophobicContact CB-CB 3.72Å; C96-F133 HydrophobicContact CB-CD1 4.18Å; C96-F133 HydrophobicContact CB-CD2 4.47Å; C96-F133 HydrophobicContact CB-CG 3.89Å; V107-F133 HydrophobicContact CG1-CE2 3.84Å; V107-F133 HydrophobicContact CG1-CZ 3.97Å; M110-F133 HydrophobicContact CE-CE1 4.07Å; M110-F133 HydrophobicContact SD-CE1 4.38Å; M110-F133 HydrophobicContact SD-CZ 4.39Å; F133-L144 HydrophobicContact CD1-CD1 3.71Å; F133-L144 HydrophobicContact CD1-CG 4.46Å; F133-L144 HydrophobicContact CE1-CD1 3.58Å; F133-L144 HydrophobicContact CE1-CG 4Å; F133-H145 WeakPolarHBondContact CD1-O 3.4Å; F133-L146 HydrophobicContact CD2-CD1 4.01Å; F133-L146 HydrophobicContact CE1-CB 3.86Å; F133-L146 HydrophobicContact CE1-CD1 4.16Å; F133-L146 HydrophobicContact CE2-CD1 3.43Å; F133-L146 VanDerWaalsContact CE2-CD1 3.43Å; F133-L146 HydrophobicContact CZ-CB 3.88Å; F133-L146 HydrophobicContact CZ-CD1 3.51Å; F133-L146 HydrophobicContact CZ-CG 4.3Å; F133-F170 WeakPolarHBondContact O-CA 3.48Å; F133-F170 WeakPolarHBondContact O-CD2 3.43Å; F133-I171 HydrophobicContact CB-CG2 4.05Å; F133-I171 PolarHBondContact N-O 2.91Å; F133-I171 PolarHBondContact O-N 3.3Å; F133-A173 HydrophobicContact CE2-CB 4.18Å; F133-L176 HydrophobicContact CD2-CD2 3.44Å; F133-L176 VanDerWaalsContact CD2-CD2 3.44Å; F133-L176 HydrophobicContact CE2-CD2 3.49Å; F133-L176 VanDerWaalsContact CE2-CD2 3.49Å; F133-L176 HydrophobicContact CG-CD2 4.14Å; F133-L176 HydrophobicContact CZ-CD2 4.21Å
134	H	96.7	Very high	94.1	Very high	17 Å²	17	51.4 Å²	51.4	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.2	167.7	-80.8	-51.1	0	0	0	112	C96 C139 H147 V162 Y163 W169 F170	C96-H134 PolarHBondContact SG-O 3.31Å; H134-C139 HydrophobicContact CB-CB 4.17Å; H134-H147 AromaticContact CD2-CD2 3.96Å; H134-H147 AromaticContact CD2-CE1 3.9Å; H134-H147 AromaticContact CD2-NE2 3.26Å; H134-H147 PolarHBondContact CD2-NE2 3.37Å; H134-H147 VanDerWaalsContact CD2-NE2 3.26Å; H134-H147 AromaticContact NE2-NE2 3.9Å; H134-V162 VanDerWaalsContact CE1-CG1 3.47Å; H134-V162 WeakPolarHBondContact CE1-CG1 3.3Å; H134-Y163 AromaticContact CE1-CD1 3.93Å; H134-Y163 AromaticContact CE1-CE1 3.84Å; H134-Y163 AromaticContact NE2-CD1 3.82Å; H134-Y163 AromaticContact NE2-CE1 3.25Å; H134-Y163 WeakPolarHBondContact NE2-CE1 3.46Å; H134-Y163 AromaticContact NE2-CZ 3.96Å; H134-W169 WeakPolarHBondContact CA-O 3.29Å; H134-W169 PolarHBondContact ND1-O 3.08Å; H134-F170 AromaticContact CE1-CD2 3.88Å; H134-F170 AromaticContact ND1-CD2 3.85Å
135	M	93.2	Very high	94.3	Very high	30 Å²	30	47.2 Å²	47.2	15%	0.148	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-86.1	131.5	-179.2	-70	-62.6	-70.1	0	0	110.7	C96 F138 Y168 W169 I171	C96-M135 PolarHBondContact SG-SD 3.41Å; M135-F138 WeakPolarHBondContact O-CA 3.44Å; M135-F138 WeakPolarHBondContact O-CB 3.38Å; M135-F138 PolarHBondContact O-N 2.98Å; M135-Y168 WeakPolarHBondContact CB-O 3.4Å; M135-W169 PolarHBondContact N-O 2.85Å; M135-I171 HydrophobicContact CG-CB 4.2Å; M135-I171 HydrophobicContact CG-CG2 4.11Å; M135-I171 HydrophobicContact SD-CB 4.03Å; M135-I171 HydrophobicContact SD-CG2 3.54Å; M135-I171 VanDerWaalsContact SD-CG2 3.54Å
136	P	89.1	Confident	94.3	Very high	27 Å²	27	44 Å²	44	18%	0.175	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	137.5	172	-22	30.2	0	0	0	111.5	N95 R97	N95-P136 HydrophobicContact CB-CG 4.13Å; N95-P136 VanDerWaalsContact OD1-CG 3.26Å; N95-P136 WeakPolarHBondContact OD1-CG 3.29Å; R97-P136 HydrophobicContact CB-CG 4.32Å; R97-P136 PolarHBondContact NH2-O 3.45Å
137	P	87.8	Confident	94.5	Very high	113 Å²	113	40.6 Å²	40.6	73%	0.734	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.4	6.3	12.1	35.7	-38.4	0	0	0	116.2	C139	P137-C139 VanDerWaalsContact C-N 3.31Å; P137-C139 PolarHBondContact O-N 3.03Å
138	F	86.7	Confident	94.6	Very high	118 Å²	118	34.4 Å²	34.4	52%	0.518	20%	0.197	S	C	.	.	S	Bend	trans	-88.3	15.6	-171.1	-54.4	-81.9	0	0	0	114.8	M135 W169	M135-F138 WeakPolarHBondContact O-CA 3.44Å; M135-F138 WeakPolarHBondContact O-CB 3.38Å; M135-F138 PolarHBondContact O-N 2.98Å; F138-W169 HydrophobicContact CB-CB 3.77Å; F138-W169 HydrophobicContact CD1-CB 4.34Å; F138-W169 HydrophobicContact CD2-CB 3.47Å; F138-W169 VanDerWaalsContact CD2-CB 3.47Å; F138-W169 HydrophobicContact CE2-CB 4.12Å; F138-W169 HydrophobicContact CG-CB 3.59Å
139	C	83.5	Confident	94.6	Very high	27 Å²	27	33 Å²	33	18%	0.182	19%	0.19	C	C	.	.			trans	-93.4	118.5	176.1	53.7	0	0	0	0	110.9	H134 P137 I141	H134-C139 HydrophobicContact CB-CB 4.17Å; P137-C139 VanDerWaalsContact C-N 3.31Å; P137-C139 PolarHBondContact O-N 3.03Å; C139-I141 VanDerWaalsContact C-N 3.26Å; C139-I141 PolarHBondContact O-N 3.1Å
140	S	87.3	Confident	94.6	Very high	122 Å²	122	31.7 Å²	31.7	85%	0.853	18%	0.182	S	C	*	.	S	Bend	trans	-65.8	-25.8	-178.1	-53.9	0	0	0	0	114.2
141	I	92.9	Very high	94.6	Very high	48 Å²	48	30.2 Å²	30.2	25%	0.246	18%	0.179	C	C	.	.	S	Bend	trans	-134.2	127.2	-177.9	-65.6	167.6	0	0	0	107.9	V49 F50 C139 H143 H145	V49-I141 HydrophobicContact CG1-CD1 3.69Å; V49-I141 HydrophobicContact CG1-CG1 4.3Å; V49-I141 HydrophobicContact CG1-CG2 4.41Å; F50-I141 HydrophobicContact CD1-CD1 4.11Å; F50-I141 HydrophobicContact CD1-CG2 4.48Å; F50-I141 HydrophobicContact CD2-CG2 3.77Å; F50-I141 HydrophobicContact CE1-CD1 3.44Å; F50-I141 VanDerWaalsContact CE1-CD1 3.44Å; F50-I141 HydrophobicContact CE2-CB 4.16Å; F50-I141 HydrophobicContact CE2-CD1 4.04Å; F50-I141 HydrophobicContact CE2-CG2 3.88Å; F50-I141 HydrophobicContact CG-CG2 4.08Å; F50-I141 HydrophobicContact CZ-CB 4.37Å; F50-I141 HydrophobicContact CZ-CD1 3.39Å; F50-I141 HydrophobicContact CZ-CG1 4.45Å; F50-I141 HydrophobicContact CZ-CG2 4.32Å; C139-I141 VanDerWaalsContact C-N 3.26Å; C139-I141 PolarHBondContact O-N 3.1Å; I141-H143 HydrophobicContact CG2-CB 4.16Å; I141-H143 PolarHBondContact O-N 3.13Å; I141-H143 VanDerWaalsContact O-N 3.08Å; I141-H145 PolarHBondContact O-CE1 2.85Å
142	S	94.2	Very high	94.5	Very high	70 Å²	70	30.2 Å²	30.2	49%	0.49	18%	0.18	S	C	.	.	S	Bend	trans	-86.2	55.7	178.1	-175.1	0	0	0	0	111.9	H92 G94	H92-S142 PolarHBondContact CE1-O 2.95Å; H92-S142 PolarHBondContact NE2-O 3.11Å; G94-S142 CarbonylContact O-C 3.6Å; G94-S142 WeakPolarHBondContact O-CA 3.34Å; G94-S142 PolarHBondContact O-OG 3.24Å
143	H	96.3	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-138.6	129.9	165	-172.3	141.1	0	0	0	106.4	F50 C51 V88 P89 K91 H92 I93 G94 I141 H145	F50-H143 HydrophobicContact CB-CB 4.03Å; F50-H143 HydrophobicContact CD2-CB 4Å; F50-H143 HydrophobicContact CG-CB 4.46Å; C51-H143 VanDerWaalsContact SG-CE1 3.55Å; C51-H143 PolarHBondContact SG-ND1 2.9Å; C51-H143 VanDerWaalsContact SG-ND1 3.44Å; V88-H143 WeakPolarHBondContact CG1-NE2 3.47Å; P89-H143 PolarHBondContact O-NE2 3.44Å; K91-H143 PolarHBondContact O-NE2 3.05Å; H92-H143 AromaticContact CE1-ND1 3.93Å; H92-H143 AromaticContact ND1-CE1 3.91Å; H92-H143 AromaticContact ND1-CG 3.7Å; H92-H143 AromaticContact ND1-ND1 3.12Å; H92-H143 PolarHBondContact ND1-ND1 3.24Å; H92-H143 VanDerWaalsContact ND1-ND1 3.12Å; I93-H143 CarbonylContact O-C 3.54Å; I93-H143 WeakPolarHBondContact O-CA 3.27Å; G94-H143 CarbonylContact O-C 3.47Å; G94-H143 WeakPolarHBondContact O-CA 3.43Å; G94-H143 PolarHBondContact O-N 2.85Å; I141-H143 HydrophobicContact CG2-CB 4.16Å; I141-H143 PolarHBondContact O-N 3.13Å; I141-H143 VanDerWaalsContact O-N 3.08Å; H143-H145 PolarHBondContact O-N 2.84Å; H143-H145 PolarHBondContact O-ND1 3.24Å
144	L	97.7	Very high	94	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.23	C	C	.	.			trans	-52.2	120.4	-175.1	-178.1	74.1	0	0	0	111.7	P89 I93 C96 L99 L106 M110 F133	P89-L144 WeakPolarHBondContact CD-O 3.34Å; P89-L144 HydrophobicContact CG-CB 4.3Å; P89-L144 HydrophobicContact CG-CD2 4.27Å; I93-L144 HydrophobicContact CB-CB 4.16Å; I93-L144 HydrophobicContact CG2-CB 4.22Å; I93-L144 HydrophobicContact CG2-CD2 4.26Å; I93-L144 WeakPolarHBondContact O-CB 3.49Å; I93-L144 PolarHBondContact O-N 2.93Å; C96-L144 HydrophobicContact CB-CD1 4.16Å; L99-L144 HydrophobicContact CD1-CD1 3.98Å; L99-L144 HydrophobicContact CD1-CD2 4.27Å; L99-L144 HydrophobicContact CD2-CD2 3.96Å; L99-L144 HydrophobicContact CG-CD1 4.38Å; L99-L144 HydrophobicContact CG-CD2 4.45Å; L106-L144 HydrophobicContact CD2-CD2 4Å; M110-L144 HydrophobicContact CE-CD2 4.27Å; M110-L144 HydrophobicContact CE-CG 4.17Å; M110-L144 HydrophobicContact SD-CD2 3.82Å; M110-L144 HydrophobicContact SD-CG 4.32Å; F133-L144 HydrophobicContact CD1-CD1 3.71Å; F133-L144 HydrophobicContact CD1-CG 4.46Å; F133-L144 HydrophobicContact CE1-CD1 3.58Å; F133-L144 HydrophobicContact CE1-CG 4Å
145	H	98.1	Very high	93.9	Very high	16 Å²	16	39.6 Å²	39.6	7%	0.074	23%	0.227	C	C	.	.			trans	-138.1	127	178.1	51.3	-78.3	0	0	0	110.3	F50 V87 V88 F133 I141 H143 H147	F50-H145 HydrophobicContact CD2-CB 4.34Å; F50-H145 HydrophobicContact CE2-CB 3.71Å; F50-H145 AromaticContact CE2-CG 3.69Å; F50-H145 AromaticContact CE2-ND1 3.65Å; V87-H145 WeakPolarHBondContact O-CA 3.44Å; V88-H145 HydrophobicContact CG2-CB 3.86Å; F133-H145 WeakPolarHBondContact CD1-O 3.4Å; I141-H145 PolarHBondContact O-CE1 2.85Å; H143-H145 PolarHBondContact O-N 2.84Å; H143-H145 PolarHBondContact O-ND1 3.24Å; H145-H147 AromaticContact CD2-CD2 3.75Å; H145-H147 AromaticContact CD2-CE1 3.96Å; H145-H147 AromaticContact CD2-NE2 3.24Å; H145-H147 PolarHBondContact CD2-NE2 3.16Å; H145-H147 AromaticContact NE2-NE2 3.41Å; H145-H147 PolarHBondContact NE2-NE2 3.01Å
146	L	98.6	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.2	169.9	179.7	75.8	0	0	0	108	L86 V87 M110 V111 M131 F133 V148 A173	L86-L146 WeakPolarHBondContact CA-O 3.48Å; V87-L146 HydrophobicContact CB-CB 4.28Å; V87-L146 PolarHBondContact N-O 3.08Å; V87-L146 PolarHBondContact O-N 3.43Å; M110-L146 HydrophobicContact CB-CB 4.33Å; M110-L146 HydrophobicContact CB-CD2 4.03Å; M110-L146 HydrophobicContact CE-CB 3.88Å; M110-L146 WeakPolarHBondContact O-CD2 3.37Å; V111-L146 HydrophobicContact CG2-CD2 4.06Å; M131-L146 HydrophobicContact CB-CD1 4.16Å; M131-L146 HydrophobicContact CB-CD2 4.41Å; M131-L146 HydrophobicContact SD-CD2 4.32Å; F133-L146 HydrophobicContact CD2-CD1 4.01Å; F133-L146 HydrophobicContact CE1-CB 3.86Å; F133-L146 HydrophobicContact CE1-CD1 4.16Å; F133-L146 HydrophobicContact CE2-CD1 3.43Å; F133-L146 VanDerWaalsContact CE2-CD1 3.43Å; F133-L146 HydrophobicContact CZ-CB 3.88Å; F133-L146 HydrophobicContact CZ-CD1 3.51Å; F133-L146 HydrophobicContact CZ-CG 4.3Å; L146-V148 HydrophobicContact CD2-CG2 3.96Å; L146-V148 HydrophobicContact CG-CG2 4.2Å; L146-A173 HydrophobicContact CD1-CB 3.95Å
147	H	98.4	Very high	94	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.032	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.3	164.5	-67.2	-95.1	0	0	0	108.9	H84 L86 M131 G132 H134 H145 Y163	H84-H147 AromaticContact CE1-ND1 3.61Å; H84-H147 AromaticContact NE2-CE1 3.92Å; H84-H147 AromaticContact NE2-CG 3.87Å; H84-H147 AromaticContact NE2-ND1 2.94Å; H84-H147 PolarHBondContact NE2-ND1 3.27Å; L86-H147 WeakPolarHBondContact CD2-ND1 3.33Å; M131-H147 VanDerWaalsContact CA-O 3.3Å; M131-H147 WeakPolarHBondContact CA-O 3.11Å; G132-H147 PolarHBondContact N-O 3.44Å; G132-H147 VanDerWaalsContact N-O 3.1Å; G132-H147 PolarHBondContact O-N 3.06Å; H134-H147 AromaticContact CD2-CD2 3.96Å; H134-H147 AromaticContact CD2-CE1 3.9Å; H134-H147 AromaticContact CD2-NE2 3.26Å; H134-H147 PolarHBondContact CD2-NE2 3.37Å; H134-H147 VanDerWaalsContact CD2-NE2 3.26Å; H134-H147 AromaticContact NE2-NE2 3.9Å; H145-H147 AromaticContact CD2-CD2 3.75Å; H145-H147 AromaticContact CD2-CE1 3.96Å; H145-H147 AromaticContact CD2-NE2 3.24Å; H145-H147 PolarHBondContact CD2-NE2 3.16Å; H145-H147 AromaticContact NE2-NE2 3.41Å; H145-H147 PolarHBondContact NE2-NE2 3.01Å; H147-Y163 HydrophobicContact CB-CE1 4.36Å; H147-Y163 AromaticContact CE1-CE1 3.98Å; H147-Y163 AromaticContact CG-CE1 3.88Å; H147-Y163 AromaticContact ND1-CE1 3.65Å
148	V	98.6	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.3	171.2	175.9	0	0	0	0	107.2	H84 Y85 V87 L118 M131 L146	H84-V148 WeakPolarHBondContact CA-O 3.2Å; Y85-V148 HydrophobicContact CD2-CG1 4.29Å; Y85-V148 PolarHBondContact N-O 3.23Å; Y85-V148 PolarHBondContact O-N 2.99Å; V87-V148 HydrophobicContact CG2-CG2 4.02Å; L118-V148 HydrophobicContact CD1-CG1 3.72Å; L118-V148 HydrophobicContact CD2-CG1 4.32Å; L118-V148 HydrophobicContact CG-CG1 3.92Å; M131-V148 HydrophobicContact CE-CG1 4.01Å; M131-V148 HydrophobicContact CG-CG2 4.3Å; M131-V148 HydrophobicContact SD-CG2 4.21Å; L146-V148 HydrophobicContact CD2-CG2 3.96Å; L146-V148 HydrophobicContact CG-CG2 4.2Å
149	L	98.3	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.2	-173.3	-67.3	162.2	0	0	0	110.8	A80 H83 H84 V129 R130 L155 Y163	A80-L149 HydrophobicContact CB-CD2 3.95Å; H83-L149 CarbonylContact O-C 3.55Å; H83-L149 WeakPolarHBondContact O-CA 3.5Å; H84-L149 HydrophobicContact CB-CD2 3.98Å; H84-L149 WeakPolarHBondContact CD2-CD2 3.37Å; H84-L149 VanDerWaalsContact CG-CD2 3.47Å; V129-L149 WeakPolarHBondContact CA-O 3.27Å; R130-L149 HydrophobicContact CB-CB 4.3Å; R130-L149 PolarHBondContact N-O 3.01Å; R130-L149 PolarHBondContact O-N 2.93Å; L149-L155 HydrophobicContact CD1-CD2 4.46Å; L149-L155 HydrophobicContact CD2-CD2 4.18Å; L149-Y163 HydrophobicContact CD1-CD1 3.52Å; L149-Y163 HydrophobicContact CD1-CD2 3.66Å; L149-Y163 HydrophobicContact CD1-CE1 3.92Å; L149-Y163 HydrophobicContact CD1-CE2 4.08Å; L149-Y163 HydrophobicContact CD1-CG 3.37Å; L149-Y163 HydrophobicContact CD2-CE2 4.36Å
150	A	97.5	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	150	171.7	0	0	0	0	0	112.8	H83 L118 F123 V129	H83-A150 WeakPolarHBondContact CA-O 3.19Å; H83-A150 HydrophobicContact CB-CB 4.15Å; H83-A150 VanDerWaalsContact CB-O 3.31Å; H83-A150 WeakPolarHBondContact CB-O 3.49Å; H83-A150 PolarHBondContact N-O 2.78Å; H83-A150 PolarHBondContact O-N 3.42Å; L118-A150 HydrophobicContact CD1-CB 4.46Å; L118-A150 HydrophobicContact CD2-CB 3.67Å; F123-A150 HydrophobicContact CD1-CB 3.85Å; F123-A150 HydrophobicContact CD2-CB 4.2Å; F123-A150 HydrophobicContact CE1-CB 3.6Å; F123-A150 HydrophobicContact CE2-CB 3.96Å; F123-A150 HydrophobicContact CG-CB 4.16Å; F123-A150 HydrophobicContact CZ-CB 3.67Å; V129-A150 HydrophobicContact CG2-CB 3.94Å
151	P	97.6	Very high	95.3	Very high	19 Å²	19	45.3 Å²	45.3	12%	0.123	24%	0.242	C	C	.	.			cis	-67	148.6	-21.9	30.6	-34.1	0	0	0	111.1	A81 F123 N128 D153 E154	A81-P151 WeakPolarHBondContact CB-O 3.25Å; F123-P151 HydrophobicContact CE2-CB 4.02Å; F123-P151 HydrophobicContact CE2-CG 4.44Å; F123-P151 HydrophobicContact CZ-CB 4.19Å; N128-P151 HydrophobicContact CB-CB 4.38Å; N128-P151 CarbonylContact O-C 3.54Å; N128-P151 VanDerWaalsContact O-CA 3.31Å; N128-P151 WeakPolarHBondContact O-CA 3.44Å; P151-D153 PolarHBondContact O-N 2.96Å; P151-E154 WeakPolarHBondContact CD-OE2 3.45Å; P151-E154 HydrophobicContact CG-CB 4.04Å; P151-E154 HydrophobicContact CG-CG 3.64Å; P151-E154 WeakPolarHBondContact CG-OE1 3.47Å; P151-E154 PolarHBondContact O-N 3.43Å
152	V	95.5	Very high	95.3	Very high	17 Å²	17	46 Å²	46	10%	0.103	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-65.1	-28.4	176.7	168.2	0	0	0	0	112.1	N128 V129 R130 E154 L155	N128-V152 WeakPolarHBondContact O-CG2 3.42Å; N128-V152 PolarHBondContact O-N 3.14Å; N128-V152 WeakPolarHBondContact OD1-CA 3.49Å; N128-V152 WeakPolarHBondContact OD1-CB 3.42Å; N128-V152 PolarHBondContact OD1-N 3.33Å; V129-V152 VanDerWaalsContact C-CG2 3.47Å; R130-V152 HydrophobicContact CB-CG2 3.55Å; R130-V152 VanDerWaalsContact NH2-CG1 3.32Å; V152-E154 VanDerWaalsContact C-N 3.32Å; V152-E154 PolarHBondContact O-N 3.47Å; V152-L155 HydrophobicContact CB-CD1 4.38Å; V152-L155 HydrophobicContact CG1-CD1 3.99Å; V152-L155 WeakPolarHBondContact O-CB 3.28Å; V152-L155 WeakPolarHBondContact O-CD1 3.36Å; V152-L155 VanDerWaalsContact O-CG 3.24Å; V152-L155 WeakPolarHBondContact O-CG 3.34Å; V152-L155 PolarHBondContact O-N 3.07Å
153	D	94.2	Very high	95.3	Very high	111 Å²	111	43.5 Å²	43.5	59%	0.594	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-68.5	-27.4	178.8	-70.1	-41	0	0	0	113.7	N128 P151 L155 K160	N128-D153 PolarHBondContact ND2-OD2 3.48Å; N128-D153 PolarHBondContact OD1-N 3.47Å; N128-D153 VanDerWaalsContact OD1-N 3.15Å; N128-D153 PolarHBondContact OD1-OD2 2.86Å; P151-D153 PolarHBondContact O-N 2.96Å; D153-L155 VanDerWaalsContact C-N 3.28Å; D153-L155 PolarHBondContact O-N 3.41Å; D153-K160 PolarHBondContact O-NZ 2.87Å
154	E	92.9	Very high	95.2	Very high	103 Å²	103	50.6 Å²	50.6	48%	0.481	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-71.5	-19.2	175.5	-83	173.5	-161.4	0	0	113.8	A81 T82 P151 V152 G156	A81-E154 HydrophobicContact CB-CB 4.38Å; T82-E154 WeakPolarHBondContact CB-OE2 3.32Å; T82-E154 PolarHBondContact N-OE2 3.12Å; T82-E154 PolarHBondContact OG1-OE2 2.74Å; P151-E154 WeakPolarHBondContact CD-OE2 3.45Å; P151-E154 HydrophobicContact CG-CB 4.04Å; P151-E154 HydrophobicContact CG-CG 3.64Å; P151-E154 WeakPolarHBondContact CG-OE1 3.47Å; P151-E154 PolarHBondContact O-N 3.43Å; V152-E154 VanDerWaalsContact C-N 3.32Å; V152-E154 PolarHBondContact O-N 3.47Å; E154-G156 PolarHBondContact O-N 3.39Å; E154-G156 VanDerWaalsContact O-N 3.11Å
155	L	92.8	Very high	94.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.27	C	S	.	.			trans	-52.7	121.2	-176.8	-67.4	171.4	0	0	0	110.6	A80 A81 L149 V152 D153 K160 Y163	A80-L155 HydrophobicContact CB-CD2 3.96Å; A81-L155 HydrophobicContact CB-CD2 4.04Å; L149-L155 HydrophobicContact CD1-CD2 4.46Å; L149-L155 HydrophobicContact CD2-CD2 4.18Å; V152-L155 HydrophobicContact CB-CD1 4.38Å; V152-L155 HydrophobicContact CG1-CD1 3.99Å; V152-L155 WeakPolarHBondContact O-CB 3.28Å; V152-L155 WeakPolarHBondContact O-CD1 3.36Å; V152-L155 VanDerWaalsContact O-CG 3.24Å; V152-L155 WeakPolarHBondContact O-CG 3.34Å; V152-L155 PolarHBondContact O-N 3.07Å; D153-L155 VanDerWaalsContact C-N 3.28Å; D153-L155 PolarHBondContact O-N 3.41Å; L155-K160 HydrophobicContact CB-CD 4.39Å; L155-K160 HydrophobicContact CB-CG 3.48Å; L155-K160 VanDerWaalsContact CB-CG 3.48Å; L155-K160 HydrophobicContact CD1-CG 4.37Å; L155-K160 WeakPolarHBondContact O-CD 3.31Å; L155-K160 WeakPolarHBondContact O-CE 3.42Å; L155-K160 WeakPolarHBondContact O-CG 3.22Å; L155-K160 PolarHBondContact O-NZ 2.93Å; L155-Y163 HydrophobicContact CD2-CD2 4.27Å
156	G	92.7	Very high	94.2	Very high	38 Å²	38	59.7 Å²	59.7	39%	0.392	31%	0.306	S	S	.	.			trans	-59.3	162.5	173.4	0	0	0	0	0	112.3	E154 L158 S159 K160	E154-G156 PolarHBondContact O-N 3.39Å; E154-G156 VanDerWaalsContact O-N 3.11Å; G156-L158 VanDerWaalsContact C-N 3.29Å; G156-L158 PolarHBondContact O-N 3.26Å; G156-S159 CarbonylContact O-C 3.54Å; G156-S159 WeakPolarHBondContact O-CA 3.31Å; G156-S159 WeakPolarHBondContact O-CB 3.45Å; G156-S159 PolarHBondContact O-N 2.94Å; G156-K160 PolarHBondContact O-N 3Å
157	F	93.3	Very high	93.9	Very high	182 Å²	182	60.8 Å²	60.8	80%	0.798	31%	0.314	S	S	*	.	H	α-helix	trans	-51	-45.4	-175.5	176.4	-97.8	0	0	0	113.6	K160 L161	F157-K160 PolarHBondContact O-N 2.76Å; F157-L161 PolarHBondContact O-N 2.96Å
158	L	92.8	Very high	93.5	Very high	133 Å²	133	70.3 Å²	70.3	70%	0.696	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-45.3	175.5	-72.3	153.1	0	0	0	111.6	G156 K160 L161 V162	G156-L158 VanDerWaalsContact C-N 3.29Å; G156-L158 PolarHBondContact O-N 3.26Å; L158-K160 PolarHBondContact O-N 2.87Å; L158-L161 WeakPolarHBondContact O-CB 3.34Å; L158-L161 PolarHBondContact O-N 3.28Å; L158-L161 VanDerWaalsContact O-N 3.11Å; L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3Å
159	S	93.6	Very high	93.3	Very high	29 Å²	29	73.7 Å²	73.7	20%	0.203	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-39.8	175.9	-50.2	0	0	0	0	112.5	G156 L161 V162 Y163	G156-S159 CarbonylContact O-C 3.54Å; G156-S159 WeakPolarHBondContact O-CA 3.31Å; G156-S159 WeakPolarHBondContact O-CB 3.45Å; G156-S159 PolarHBondContact O-N 2.94Å; S159-L161 PolarHBondContact O-N 3.25Å; S159-V162 PolarHBondContact O-N 3.01Å; S159-Y163 VanDerWaalsContact O-CD2 3.29Å; S159-Y163 WeakPolarHBondContact O-CD2 3.37Å; S159-Y163 PolarHBondContact O-N 2.95Å
160	K	93	Very high	93.2	Very high	90 Å²	90	73.8 Å²	73.8	39%	0.391	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-25.3	175	-75.7	-173.7	167.4	105.1	0	113	D153 L155 G156 F157 L158	D153-K160 PolarHBondContact O-NZ 2.87Å; L155-K160 HydrophobicContact CB-CD 4.39Å; L155-K160 HydrophobicContact CB-CG 3.48Å; L155-K160 VanDerWaalsContact CB-CG 3.48Å; L155-K160 HydrophobicContact CD1-CG 4.37Å; L155-K160 WeakPolarHBondContact O-CD 3.31Å; L155-K160 WeakPolarHBondContact O-CE 3.42Å; L155-K160 WeakPolarHBondContact O-CG 3.22Å; L155-K160 PolarHBondContact O-NZ 2.93Å; G156-K160 PolarHBondContact O-N 3Å; F157-K160 PolarHBondContact O-N 2.76Å; L158-K160 PolarHBondContact O-N 2.87Å
161	L	93.4	Very high	93.1	Very high	85 Å²	85	74.5 Å²	74.5	45%	0.445	37%	0.368	S	S	.	.	H	α-helix	trans	-81.5	-46	171.3	-177.1	64.1	0	0	0	111.9	F157 L158 S159 R164 W169	F157-L161 PolarHBondContact O-N 2.96Å; L158-L161 WeakPolarHBondContact O-CB 3.34Å; L158-L161 PolarHBondContact O-N 3.28Å; L158-L161 VanDerWaalsContact O-N 3.11Å; S159-L161 PolarHBondContact O-N 3.25Å; L161-R164 WeakPolarHBondContact O-CB 3.17Å; L161-R164 PolarHBondContact O-N 2.94Å; L161-W169 HydrophobicContact CD1-CH2 4.47Å; L161-W169 HydrophobicContact CD1-CZ2 3.97Å; L161-W169 HydrophobicContact CG-CZ2 4.48Å; L161-W169 WeakPolarHBondContact O-CZ2 3.37Å; L161-W169 PolarHBondContact O-NE1 3.29Å
162	V	92.8	Very high	93.1	Very high	62 Å²	62	75 Å²	75	38%	0.376	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-46.9	179.1	169.5	0	0	0	0	111.4	H134 L158 S159 R164 W169	H134-V162 VanDerWaalsContact CE1-CG1 3.47Å; H134-V162 WeakPolarHBondContact CE1-CG1 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3Å; S159-V162 PolarHBondContact O-N 3.01Å; V162-R164 VanDerWaalsContact C-N 3.31Å; V162-R164 PolarHBondContact O-N 3.08Å; V162-W169 PolarHBondContact O-NE1 2.79Å; V162-W169 VanDerWaalsContact O-NE1 3.08Å
163	Y	94	Very high	93.2	Very high	19 Å²	19	74.2 Å²	74.2	8%	0.075	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	32.3	178.8	-55.6	-69.1	0	0	0	112.6	A80 H84 R130 H134 H147 L149 L155 S159 V165 F170	A80-Y163 HydrophobicContact CB-CD2 4.28Å; A80-Y163 HydrophobicContact CB-CE2 3.55Å; H84-Y163 PolarHBondContact CE1-OH 3.12Å; H84-Y163 VanDerWaalsContact CE1-OH 3.25Å; R130-Y163 WeakPolarHBondContact CD-O 3.5Å; R130-Y163 PolarHBondContact NH1-O 2.98Å; H134-Y163 AromaticContact CE1-CD1 3.93Å; H134-Y163 AromaticContact CE1-CE1 3.84Å; H134-Y163 AromaticContact NE2-CD1 3.82Å; H134-Y163 AromaticContact NE2-CE1 3.25Å; H134-Y163 WeakPolarHBondContact NE2-CE1 3.46Å; H134-Y163 AromaticContact NE2-CZ 3.96Å; H147-Y163 HydrophobicContact CB-CE1 4.36Å; H147-Y163 AromaticContact CE1-CE1 3.98Å; H147-Y163 AromaticContact CG-CE1 3.88Å; H147-Y163 AromaticContact ND1-CE1 3.65Å; L149-Y163 HydrophobicContact CD1-CD1 3.52Å; L149-Y163 HydrophobicContact CD1-CD2 3.66Å; L149-Y163 HydrophobicContact CD1-CE1 3.92Å; L149-Y163 HydrophobicContact CD1-CE2 4.08Å; L149-Y163 HydrophobicContact CD1-CG 3.37Å; L149-Y163 HydrophobicContact CD2-CE2 4.36Å; L155-Y163 HydrophobicContact CD2-CD2 4.27Å; S159-Y163 VanDerWaalsContact O-CD2 3.29Å; S159-Y163 WeakPolarHBondContact O-CD2 3.37Å; S159-Y163 PolarHBondContact O-N 2.95Å; Y163-V165 PolarHBondContact O-N 3.43Å; Y163-F170 AromaticContact CD1-CD2 3.93Å; Y163-F170 HydrophobicContact CD1-CD2 3.93Å; Y163-F170 AromaticContact CD1-CE2 3.71Å; Y163-F170 HydrophobicContact CD1-CE2 3.71Å; Y163-F170 HydrophobicContact CD1-CZ 4.35Å; Y163-F170 HydrophobicContact CE1-CE2 4.44Å
164	R	93.4	Very high	93.4	Very high	148 Å²	148	74 Å²	74	56%	0.558	37%	0.365	S	S	*	.			trans	-72.7	120.9	179.6	-177.9	170.2	176.7	128.8	1.7	110.8	L161 V162 S167 W169	L161-R164 WeakPolarHBondContact O-CB 3.17Å; L161-R164 PolarHBondContact O-N 2.94Å; V162-R164 VanDerWaalsContact C-N 3.31Å; V162-R164 PolarHBondContact O-N 3.08Å; R164-S167 VanDerWaalsContact O-CB 3.27Å; R164-S167 WeakPolarHBondContact O-CB 3.17Å; R164-S167 PolarHBondContact O-OG 3.25Å; R164-W169 HydrophobicContact CB-CZ2 4.34Å
165	V	91.9	Very high	93.5	Very high	54 Å²	54	72.1 Å²	72.1	33%	0.327	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	151.7	170.3	-59.5	0	0	0	0	111.1	Y163 S167 T172	Y163-V165 PolarHBondContact O-N 3.43Å; V165-S167 VanDerWaalsContact C-N 3.31Å; V165-S167 PolarHBondContact O-N 2.91Å; V165-T172 HydrophobicContact CG1-CG2 3.74Å
166	N	84	Confident	93.7	Very high	154 Å²	154	72.5 Å²	72.5	82%	0.824	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	42.6	-176.7	-55	-19.6	0	0	0	112.8
167	S	90.9	Very high	93.9	Very high	24 Å²	24	71.3 Å²	71.3	17%	0.168	34%	0.343	C	S	.	.	S	Bend	trans	-115.2	166.8	175.1	70.6	0	0	0	0	111.7	R164 V165 W169 F170	R164-S167 VanDerWaalsContact O-CB 3.27Å; R164-S167 WeakPolarHBondContact O-CB 3.17Å; R164-S167 PolarHBondContact O-OG 3.25Å; V165-S167 VanDerWaalsContact C-N 3.31Å; V165-S167 PolarHBondContact O-N 2.91Å; S167-W169 VanDerWaalsContact C-N 3.27Å; S167-W169 VanDerWaalsContact CB-CE2 3.49Å; S167-W169 PolarHBondContact O-N 2.9Å; S167-F170 PolarHBondContact OG-N 2.88Å; S167-F170 VanDerWaalsContact OG-N 3.14Å; S167-F170 PolarHBondContact OG-O 2.65Å
168	Y	90.6	Very high	94	Very high	206 Å²	206	67.9 Å²	67.9	81%	0.808	33%	0.329	S	S	*	.	S	Bend	trans	-77.6	-11.8	176.7	-65.8	-75.4	0	0	0	113.6	M135	M135-Y168 WeakPolarHBondContact CB-O 3.4Å
169	W	93.5	Very high	94.1	Very high	72 Å²	72	66.8 Å²	66.8	27%	0.273	32%	0.319	S	S	.	.	S	Bend	trans	-114.7	-8.2	-172.3	57.7	86.5	0	0	0	114.1	H134 M135 F138 L161 V162 R164 S167	H134-W169 WeakPolarHBondContact CA-O 3.29Å; H134-W169 PolarHBondContact ND1-O 3.08Å; M135-W169 PolarHBondContact N-O 2.85Å; F138-W169 HydrophobicContact CB-CB 3.77Å; F138-W169 HydrophobicContact CD1-CB 4.34Å; F138-W169 HydrophobicContact CD2-CB 3.47Å; F138-W169 VanDerWaalsContact CD2-CB 3.47Å; F138-W169 HydrophobicContact CE2-CB 4.12Å; F138-W169 HydrophobicContact CG-CB 3.59Å; L161-W169 HydrophobicContact CD1-CH2 4.47Å; L161-W169 HydrophobicContact CD1-CZ2 3.97Å; L161-W169 HydrophobicContact CG-CZ2 4.48Å; L161-W169 WeakPolarHBondContact O-CZ2 3.37Å; L161-W169 PolarHBondContact O-NE1 3.29Å; V162-W169 PolarHBondContact O-NE1 2.79Å; V162-W169 VanDerWaalsContact O-NE1 3.08Å; R164-W169 HydrophobicContact CB-CZ2 4.34Å; S167-W169 VanDerWaalsContact C-N 3.27Å; S167-W169 VanDerWaalsContact CB-CE2 3.49Å; S167-W169 PolarHBondContact O-N 2.9Å
170	F	96.5	Very high	94.2	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.009	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.4	177	-174.8	-95.9	0	0	0	111.8	R130 G132 F133 H134 Y163 S167 T172	R130-F170 HydrophobicContact CG-CE1 3.9Å; R130-F170 HydrophobicContact CG-CZ 4.04Å; G132-F170 VanDerWaalsContact CA-CZ 3.45Å; F133-F170 WeakPolarHBondContact O-CA 3.48Å; F133-F170 WeakPolarHBondContact O-CD2 3.43Å; H134-F170 AromaticContact CE1-CD2 3.88Å; H134-F170 AromaticContact ND1-CD2 3.85Å; Y163-F170 AromaticContact CD1-CD2 3.93Å; Y163-F170 HydrophobicContact CD1-CD2 3.93Å; Y163-F170 AromaticContact CD1-CE2 3.71Å; Y163-F170 HydrophobicContact CD1-CE2 3.71Å; Y163-F170 HydrophobicContact CD1-CZ 4.35Å; Y163-F170 HydrophobicContact CE1-CE2 4.44Å; S167-F170 PolarHBondContact OG-N 2.88Å; S167-F170 VanDerWaalsContact OG-N 3.14Å; S167-F170 PolarHBondContact OG-O 2.65Å; F170-T172 HydrophobicContact CE1-CG2 4.43Å
171	I	96.6	Very high	94.2	Very high	14 Å²	14	68.6 Å²	68.6	7%	0.072	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.7	176	-168.9	166.9	0	0	0	110.2	G132 F133 M135 H175 L176 K179	G132-I171 CarbonylContact C-O 3.49Å; G132-I171 WeakPolarHBondContact CA-O 3.24Å; F133-I171 HydrophobicContact CB-CG2 4.05Å; F133-I171 PolarHBondContact N-O 2.91Å; F133-I171 PolarHBondContact O-N 3.3Å; M135-I171 HydrophobicContact CG-CB 4.2Å; M135-I171 HydrophobicContact CG-CG2 4.11Å; M135-I171 HydrophobicContact SD-CB 4.03Å; M135-I171 HydrophobicContact SD-CG2 3.54Å; M135-I171 VanDerWaalsContact SD-CG2 3.54Å; I171-H175 HydrophobicContact CG1-CB 4.39Å; I171-L176 HydrophobicContact CD1-CB 4.05Å; I171-L176 HydrophobicContact CD1-CD1 4.32Å; I171-L176 HydrophobicContact CG1-CB 4.29Å; I171-L176 HydrophobicContact CG2-CB 4.47Å; I171-K179 HydrophobicContact CD1-CD 4.07Å
172	T	97.9	Very high	94	Very high	31 Å²	31	70.7 Å²	70.7	19%	0.19	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	152	172.4	50.9	0	0	0	0	110.8	M131 V165 F170 D174 H175 L176	M131-T172 WeakPolarHBondContact O-CA 3.41Å; V165-T172 HydrophobicContact CG1-CG2 3.74Å; F170-T172 HydrophobicContact CE1-CG2 4.43Å; T172-D174 VanDerWaalsContact C-N 3.31Å; T172-D174 PolarHBondContact O-N 3.32Å; T172-H175 PolarHBondContact O-N 3.31Å; T172-H175 WeakPolarHBondContact OG1-CB 3.42Å; T172-L176 PolarHBondContact O-N 2.8Å
173	A	97.5	Very high	94.1	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-41.7	-179.6	0	0	0	0	0	112.3	V107 V111 M131 F133 L146 H175 L176 I177	V107-A173 HydrophobicContact CG1-CB 4.29Å; V111-A173 HydrophobicContact CG2-CB 3.33Å; M131-A173 HydrophobicContact CB-CB 4.46Å; M131-A173 PolarHBondContact O-N 3.38Å; F133-A173 HydrophobicContact CE2-CB 4.18Å; L146-A173 HydrophobicContact CD1-CB 3.95Å; A173-H175 PolarHBondContact O-N 3.46Å; A173-L176 WeakPolarHBondContact O-CB 3.46Å; A173-L176 PolarHBondContact O-N 2.9Å; A173-I177 WeakPolarHBondContact O-CD1 3.45Å; A173-I177 WeakPolarHBondContact O-CG1 3.46Å; A173-I177 PolarHBondContact O-N 3.38Å
174	D	96.7	Very high	94.1	Very high	107 Å²	107	73.8 Å²	73.8	57%	0.572	35%	0.348	S	S	*	.	H	α-helix	trans	-63.5	-41.4	-178.1	-40.9	-79.4	0	0	0	112.1	T172 I177 E178	T172-D174 VanDerWaalsContact C-N 3.31Å; T172-D174 PolarHBondContact O-N 3.32Å; D174-I177 PolarHBondContact O-N 3.38Å; D174-E178 WeakPolarHBondContact O-CB 3.31Å; D174-E178 PolarHBondContact O-N 3.24Å
175	H	96.4	Very high	94.1	Very high	62 Å²	62	69.7 Å²	69.7	29%	0.287	34%	0.336	S	S	.	.	H	α-helix	trans	-76.2	-23.4	178.4	-173.5	51.2	0	0	0	112.8	I171 T172 A173 E178 K179	I171-H175 HydrophobicContact CG1-CB 4.39Å; T172-H175 PolarHBondContact O-N 3.31Å; T172-H175 WeakPolarHBondContact OG1-CB 3.42Å; A173-H175 PolarHBondContact O-N 3.46Å; H175-E178 IonicContact CE1-OE2 2.74Å; H175-E178 PolarHBondContact CE1-OE2 3.15Å; H175-E178 IonicContact CG-OE2 3.71Å; H175-E178 IonicContact ND1-OE2 3Å; H175-E178 PolarHBondContact ND1-OE2 3.11Å; H175-K179 VanDerWaalsContact NE2-CE 3.33Å; H175-K179 WeakPolarHBondContact NE2-CE 3.33Å; H175-K179 PolarHBondContact NE2-NZ 3.41Å; H175-K179 WeakPolarHBondContact O-CB 3.31Å; H175-K179 WeakPolarHBondContact O-CG 3.5Å; H175-K179 PolarHBondContact O-N 3.25Å
176	L	96.4	Very high	94.2	Very high	10 Å²	10	70.6 Å²	70.6	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-71.3	-44.9	167.8	179.6	62.1	0	0	0	110.8	C96 L99 V107 F133 I171 T172 A173 E178 K179 L180	C96-L176 HydrophobicContact CB-CD1 4.33Å; C96-L176 HydrophobicContact CB-CD2 3.7Å; L99-L176 HydrophobicContact CD1-CD2 4.01Å; V107-L176 HydrophobicContact CG1-CD2 4.39Å; V107-L176 HydrophobicContact CG2-CD2 4.4Å; F133-L176 HydrophobicContact CD2-CD2 3.44Å; F133-L176 VanDerWaalsContact CD2-CD2 3.44Å; F133-L176 HydrophobicContact CE2-CD2 3.49Å; F133-L176 VanDerWaalsContact CE2-CD2 3.49Å; F133-L176 HydrophobicContact CG-CD2 4.14Å; F133-L176 HydrophobicContact CZ-CD2 4.21Å; I171-L176 HydrophobicContact CD1-CB 4.05Å; I171-L176 HydrophobicContact CD1-CD1 4.32Å; I171-L176 HydrophobicContact CG1-CB 4.29Å; I171-L176 HydrophobicContact CG2-CB 4.47Å; T172-L176 PolarHBondContact O-N 2.8Å; A173-L176 WeakPolarHBondContact O-CB 3.46Å; A173-L176 PolarHBondContact O-N 2.9Å; L176-E178 PolarHBondContact O-N 2.62Å; L176-K179 PolarHBondContact O-N 2.82Å; L176-L180 HydrophobicContact CD1-CD1 4.36Å; L176-L180 HydrophobicContact CD1-CG 4.38Å; L176-L180 HydrophobicContact CG-CD1 4.17Å; L176-L180 VanDerWaalsContact O-CG 3.31Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 2.94Å
177	I	96.9	Very high	94.9	Very high	14 Å²	14	65.4 Å²	65.4	7%	0.072	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-45.2	175	-74.3	158.6	0	0	0	111.2	V104 V107 E108 A173 D174 K179 L180 R181	V104-I177 HydrophobicContact CG1-CG2 4.07Å; V107-I177 HydrophobicContact CB-CD1 4.25Å; V107-I177 HydrophobicContact CB-CG1 3.86Å; V107-I177 HydrophobicContact CG1-CD1 3.84Å; V107-I177 HydrophobicContact CG1-CG1 3.68Å; E108-I177 HydrophobicContact CG-CD1 3.55Å; E108-I177 HydrophobicContact CG-CG1 4.1Å; A173-I177 WeakPolarHBondContact O-CD1 3.45Å; A173-I177 WeakPolarHBondContact O-CG1 3.46Å; A173-I177 PolarHBondContact O-N 3.38Å; D174-I177 PolarHBondContact O-N 3.38Å; I177-K179 PolarHBondContact O-N 3.45Å; I177-L180 PolarHBondContact O-N 3.18Å; I177-R181 WeakPolarHBondContact O-CG 3.34Å; I177-R181 PolarHBondContact O-N 2.72Å; I177-R181 VanDerWaalsContact O-N 3.13Å
178	E	95.9	Very high	95.2	Very high	110 Å²	110	68.2 Å²	68.2	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-54.4	-52.2	173.1	-177.7	-176.8	-148	0	0	111.4	D174 H175 L176 L180 R181 T182	D174-E178 WeakPolarHBondContact O-CB 3.31Å; D174-E178 PolarHBondContact O-N 3.24Å; H175-E178 IonicContact CE1-OE2 2.74Å; H175-E178 PolarHBondContact CE1-OE2 3.15Å; H175-E178 IonicContact CG-OE2 3.71Å; H175-E178 IonicContact ND1-OE2 3Å; H175-E178 PolarHBondContact ND1-OE2 3.11Å; L176-E178 PolarHBondContact O-N 2.62Å; E178-L180 VanDerWaalsContact C-N 3.29Å; E178-L180 PolarHBondContact O-N 2.83Å; E178-R181 WeakPolarHBondContact O-CB 3.42Å; E178-R181 PolarHBondContact O-N 3.03Å; E178-T182 PolarHBondContact O-N 3.4Å; E178-T182 VanDerWaalsContact O-N 3.09Å
179	K	94.3	Very high	95.5	Very high	109 Å²	109	58.4 Å²	58.4	47%	0.474	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-24.8	179.1	-83.6	170.4	164.7	160.3	0	115.1	I171 H175 L176 I177 T182	I171-K179 HydrophobicContact CD1-CD 4.07Å; H175-K179 VanDerWaalsContact NE2-CE 3.33Å; H175-K179 WeakPolarHBondContact NE2-CE 3.33Å; H175-K179 PolarHBondContact NE2-NZ 3.41Å; H175-K179 WeakPolarHBondContact O-CB 3.31Å; H175-K179 WeakPolarHBondContact O-CG 3.5Å; H175-K179 PolarHBondContact O-N 3.25Å; L176-K179 PolarHBondContact O-N 2.82Å; I177-K179 PolarHBondContact O-N 3.45Å; K179-T182 WeakPolarHBondContact CA-OG1 3.32Å; K179-T182 PolarHBondContact O-OG1 3.44Å
180	L	94.7	Very high	95.6	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-82.9	-16.9	173.7	-67.9	174	0	0	0	112.1	L99 K101 V104 V107 L176 I177 E178	L99-L180 HydrophobicContact CB-CD1 3.99Å; L99-L180 HydrophobicContact CB-CD2 3.98Å; L99-L180 HydrophobicContact CD1-CD1 4.16Å; K101-L180 WeakPolarHBondContact CA-O 3.18Å; K101-L180 WeakPolarHBondContact CB-O 3.44Å; K101-L180 WeakPolarHBondContact CD-O 3.42Å; K101-L180 WeakPolarHBondContact CG-O 3.22Å; V104-L180 HydrophobicContact CG2-CB 3.52Å; V104-L180 HydrophobicContact CG2-CD1 4.49Å; V107-L180 HydrophobicContact CG2-CD1 4.16Å; L176-L180 HydrophobicContact CD1-CD1 4.36Å; L176-L180 HydrophobicContact CD1-CG 4.38Å; L176-L180 HydrophobicContact CG-CD1 4.17Å; L176-L180 VanDerWaalsContact O-CG 3.31Å; L176-L180 WeakPolarHBondContact O-CG 3.37Å; L176-L180 PolarHBondContact O-N 2.94Å; I177-L180 PolarHBondContact O-N 3.18Å; E178-L180 VanDerWaalsContact C-N 3.29Å; E178-L180 PolarHBondContact O-N 2.83Å
181	R	93.9	Very high	95.6	Very high	141 Å²	141	61.9 Å²	61.9	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-85.1	-42.4	173.5	-72.8	172.8	163.4	141.3	7.9	111.8	K101 V104 E108 I177 E178	K101-R181 PolarHBondContact NZ-O 3.22Å; V104-R181 HydrophobicContact CG1-CG 4.48Å; V104-R181 HydrophobicContact CG2-CG 4.13Å; E108-R181 IonicContact OE1-CZ 3.77Å; E108-R181 VanDerWaalsContact OE1-CZ 3.23Å; E108-R181 IonicContact OE1-NH1 2.68Å; E108-R181 PolarHBondContact OE1-NH1 2.7Å; E108-R181 IonicContact OE1-NH2 2.68Å; E108-R181 PolarHBondContact OE1-NH2 3.11Å; E108-R181 IonicContact OE2-CZ 2.7Å; E108-R181 IonicContact OE2-NH2 3.73Å; E108-R181 PolarHBondContact OE2-NH2 2.79Å; I177-R181 WeakPolarHBondContact O-CG 3.34Å; I177-R181 PolarHBondContact O-N 2.72Å; I177-R181 VanDerWaalsContact O-N 3.13Å; E178-R181 WeakPolarHBondContact O-CB 3.42Å; E178-R181 PolarHBondContact O-N 3.03Å
182	T	89.5	Confident	95.5	Very high	129 Å²	129	66.3 Å²	66.3	79%	0.791	32%	0.324	S	S	*	.			trans	-62.7	0	177.7	55.8	0	0	0	0	114	K101 E178 K179	K101-T182 WeakPolarHBondContact CE-OXT 3.37Å; K101-T182 PolarHBondContact NZ-O 3.3Å; K101-T182 PolarHBondContact NZ-OXT 2.6Å; E178-T182 PolarHBondContact O-N 3.4Å; E178-T182 VanDerWaalsContact O-N 3.09Å; K179-T182 WeakPolarHBondContact CA-OG1 3.32Å; K179-T182 PolarHBondContact O-OG1 3.44Å

Retrieved 182 of 182 residues in 74.8 ms (Link to these results)

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