A0A077ZHV0_TRITR Loading...

EF-hand 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 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	41.9	Very low	47.3	Very low	251 Å²	251	158.8 Å²	158.8	100%	1.236	90%	0.9	S	S	*	*				0	123.4	0	-79.6	161.6	154	0	0	108.5
2	G	43.5	Very low	47.4	Very low	75 Å²	75	159.3 Å²	159.3	77%	0.773	90%	0.895	S	S	*	*			trans	94.7	76.9	146.1	0	0	0	0	0	120.6
3	N	47.6	Very low	47.2	Very low	158 Å²	158	155.1 Å²	155.1	85%	0.845	88%	0.875	S	S	*	*			trans	33.6	117	133.9	-66.2	5	0	0	0	123.6
4	C	44.9	Very low	46.6	Very low	130 Å²	130	153 Å²	153	88%	0.878	87%	0.868	S	S	*	*				36.3	126.5	119.1	-60.1	0	0	0	0	122.8
5	C	46.8	Very low	46.3	Very low	137 Å²	137	150.6 Å²	150.6	93%	0.926	86%	0.861	S	S	*	*			trans	-59.3	143.8	170.7	-73.6	0	0	0	0	116.1
6	G	47.7	Very low	45.5	Very low	77 Å²	77	151 Å²	151	79%	0.794	87%	0.867	S	S	*	*			trans	-92.1	143	163.5	0	0	0	0	0	113.3
7	R	45.2	Very low	45.5	Very low	243 Å²	243	147.9 Å²	147.9	92%	0.917	86%	0.856	S	S	*	*			trans	-45.3	149.6	170.9	-72.6	172.4	179.9	171.6	-0.1	114
8	K	53.3	Low	45.3	Very low	211 Å²	211	145.8 Å²	145.8	92%	0.917	85%	0.852	S	S	*	*				-163.3	123.7	112	-62.7	-157.6	179.7	177.8	0	110.4
9	S	54.2	Low	45.5	Very low	134 Å²	134	145.5 Å²	145.5	94%	0.937	85%	0.852	S	S	*	*			trans	-115.8	135.7	163.7	-99.9	0	0	0	0	110.4
10	K	56.8	Low	45.4	Very low	200 Å²	200	146.6 Å²	146.6	87%	0.87	85%	0.848	S	S	*	*			trans	-88.2	147.9	-176.9	-69.4	174.4	173.5	-179.9	0	111.1
11	T	38.8	Very low	45.5	Very low	131 Å²	131	143.9 Å²	143.9	80%	0.804	84%	0.843	S	S	*	*			trans	-58.7	132.9	164.3	-48.6	0	0	0	0	111.8
12	I	47.6	Very low	45.4	Very low	165 Å²	165	141 Å²	141	85%	0.846	82%	0.824	S	S	*	*			trans	-134.2	135.9	161	-73.6	-178.7	0	0	0	108.5
13	T	45	Very low	45.6	Very low	104 Å²	104	144.3 Å²	144.3	64%	0.638	82%	0.822	S	S	*	*			trans	-106.1	151.3	-167.1	-52.1	0	0	0	0	110.7
14	T	39	Very low	45.2	Very low	126 Å²	126	141 Å²	141	77%	0.773	82%	0.817	S	S	*	*			trans	78	162.2	163.4	72.8	0	0	0	0	118.9
15	P	42	Very low	45.3	Very low	117 Å²	117	141.8 Å²	141.8	76%	0.76	81%	0.812	S	S	*	*			cis	-127.1	162	-18.3	26.5	-5.5	0	0	0	113.6
16	V	33.3	Very low	45.6	Very low	157 Å²	157	144.6 Å²	144.6	95%	0.952	81%	0.812	S	S	*	*			trans	-94	106.7	174.2	-150.6	0	0	0	0	109
17	S	46.4	Very low	45.5	Very low	98 Å²	98	147.1 Å²	147.1	69%	0.685	81%	0.807	S	S	*	*			trans	-155.6	115.6	165.1	-162.3	0	0	0	0	110.8
18	S	41.9	Very low	45.3	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	80%	0.804	S	S	*	*			trans	33.8	108.3	147	33.5	0	0	0	0	120.3
19	T	48.9	Very low	44.6	Very low	139 Å²	139	134.9 Å²	134.9	85%	0.853	79%	0.794	S	S	*	*			trans	-126.6	117.6	149.5	-57.1	0	0	0	0	109.5	A21	T19-A21 PolarHBondContact O-N 3.42Å
20	Q	44.1	Very low	43.6	Very low	168 Å²	168	137.5 Å²	137.5	79%	0.785	79%	0.791	S	S	*	*			trans	-60.6	120.3	171.6	-73	166.9	-0	0	0	110.3
21	A	46.4	Very low	42.6	Very low	90 Å²	90	134 Å²	134	74%	0.744	79%	0.787	S	S	*	*			trans	-92	101.9	157.9	0	0	0	0	0	108	T19 I23	T19-A21 PolarHBondContact O-N 3.42Å; A21-I23 PolarHBondContact O-N 3.34Å
22	K	39.9	Very low	42.3	Very low	190 Å²	190	133.7 Å²	133.7	83%	0.826	79%	0.785	S	S	*	*			trans	-68	114.6	168.8	-69.1	-179.9	177.8	-169.3	0	108.1
23	I	48.8	Very low	42	Very low	144 Å²	144	132 Å²	132	74%	0.738	78%	0.782	S	S	*	*			trans	-118.2	108.1	165.1	-54.3	177	0	0	0	106.1	A21 N25	A21-I23 PolarHBondContact O-N 3.34Å; I23-N25 PolarHBondContact O-N 3.41Å
24	A	38.7	Very low	41.7	Very low	89 Å²	89	132.4 Å²	132.4	74%	0.736	79%	0.789	S	S	*	*			trans	-76.4	111.9	177.8	0	0	0	0	0	109.2
25	N	47	Very low	41.5	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	80%	0.795	S	S	*	*			trans	-97.8	122.7	163.1	-79.2	-17	0	0	0	108.2	I23 D27	I23-N25 PolarHBondContact O-N 3.41Å; N25-D27 VanDerWaalsContact C-N 3.28Å; N25-D27 PolarHBondContact O-N 3.4Å
26	Q	53.7	Low	41.4	Very low	196 Å²	196	141.5 Å²	141.5	92%	0.916	80%	0.802	S	S	*	*			trans	-86.7	14.5	-174.5	-68	-173.4	3.9	0	0	113.9
27	D	44.2	Very low	41.3	Very low	131 Å²	131	140 Å²	140	70%	0.701	80%	0.795	S	S	*	*	S	Bend	trans	-130.7	105.2	-175.9	-158.8	26.9	0	0	0	110.5	N25 T29	N25-D27 VanDerWaalsContact C-N 3.28Å; N25-D27 PolarHBondContact O-N 3.4Å; D27-T29 VanDerWaalsContact C-N 3.3Å; D27-T29 PolarHBondContact O-N 2.95Å
28	G	40.6	Very low	40.5	Very low	82 Å²	82	138.5 Å²	138.5	85%	0.845	80%	0.796	S	S	*	*			trans	-78.7	56.6	-164.5	0	0	0	0	0	115.2
29	T	38.8	Very low	40.2	Very low	114 Å²	114	141.2 Å²	141.2	70%	0.699	79%	0.794	S	S	*	*			trans	-113	110.1	172.1	48.1	0	0	0	0	111.8	D27 T31	D27-T29 VanDerWaalsContact C-N 3.3Å; D27-T29 PolarHBondContact O-N 2.95Å; T29-T31 PolarHBondContact O-N 3.34Å
30	Q	34.7	Very low	39.6	Very low	190 Å²	190	142.8 Å²	142.8	89%	0.888	79%	0.791	S	S	*	*			trans	-80.5	108.1	174.5	-66.6	174.3	13.9	0	0	109.2
31	T	35.9	Very low	39	Very low	127 Å²	127	141 Å²	141	78%	0.779	79%	0.788	S	S	*	*			trans	-108.5	108.4	161.1	-58.2	0	0	0	0	108	T29 V33	T29-T31 PolarHBondContact O-N 3.34Å; T31-V33 PolarHBondContact O-N 3.48Å
32	T	30.7	Very low	38.5	Very low	123 Å²	123	140 Å²	140	76%	0.755	77%	0.766	S	S	*	*			trans	-68.8	111.6	178.4	50.5	0	0	0	0	110.4
33	V	41.3	Very low	38.4	Very low	130 Å²	130	135.1 Å²	135.1	79%	0.788	75%	0.749	S	S	*	*			trans	-124.5	98.5	160.9	-173.3	0	0	0	0	107.2	T31	T31-V33 PolarHBondContact O-N 3.48Å
34	S	39.8	Very low	38.4	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	74%	0.743	S	S	*	*			trans	-70.2	134.9	176.7	-62	0	0	0	0	110.9
35	E	34.5	Very low	39	Very low	192 Å²	192	134.2 Å²	134.2	90%	0.897	73%	0.729	S	S	*	*			trans	-61.2	140.6	-172.9	-59.6	158.5	118.6	0	0	112.8
36	R	39.1	Very low	39.5	Very low	242 Å²	242	129.2 Å²	129.2	91%	0.913	71%	0.705	S	S	*	*			trans	-114.1	137.3	156.7	-84.1	-170.1	170.8	-166.9	-1.4	109.8
37	P	31.5	Very low	40.1	Very low	124 Å²	124	125.9 Å²	125.9	81%	0.805	69%	0.693	S	S	*	*			trans	-81.3	144.2	-162.8	33.7	-35.4	0	0	0	112.8
38	G	29.3	Very low	41	Very low	67 Å²	67	123 Å²	123	69%	0.691	69%	0.687	S	S	*	*			trans	64.3	79.5	148	0	0	0	0	0	117.6	Q40	G38-Q40 PolarHBondContact O-N 2.75Å
39	F	36.7	Very low	42.1	Very low	168 Å²	168	121 Å²	121	74%	0.737	66%	0.656	S	S	*	*			trans	-86.3	94	162.4	-112.6	-98.3	0	0	0	109.4	N41 F42	F39-N41 PolarHBondContact O-N 3.29Å; F39-F42 AromaticContact CD1-CE2 3.73Å; F39-F42 HydrophobicContact CD1-CE2 3.73Å; F39-F42 HydrophobicContact CD1-CZ 4.01Å; F39-F42 AromaticContact CE1-CE2 3.84Å; F39-F42 HydrophobicContact CE1-CE2 3.84Å; F39-F42 AromaticContact CE1-CZ 3.74Å; F39-F42 HydrophobicContact CE1-CZ 3.74Å
40	Q	35.7	Very low	43.6	Very low	172 Å²	172	117.4 Å²	117.4	80%	0.804	63%	0.632	S	S	*	*			trans	-67.4	123.9	177.5	-69.4	-179.2	0.1	0	0	110.7	G38 F42	G38-Q40 PolarHBondContact O-N 2.75Å; Q40-F42 PolarHBondContact O-N 3.4Å
41	N	32.2	Very low	45.4	Very low	132 Å²	132	113.6 Å²	113.6	71%	0.706	61%	0.614	S	S	*	*			trans	-5.1	105.7	153.5	-136.7	-0.1	0	0	0	115.5	F39 N43	F39-N41 PolarHBondContact O-N 3.29Å; N41-N43 PolarHBondContact O-N 2.94Å; N41-N43 VanDerWaalsContact O-N 3.11Å
42	F	34.4	Very low	47	Very low	67 Å²	67	110.4 Å²	110.4	29%	0.294	59%	0.589	S	S	.	*			trans	-74.9	100.8	175.4	-70.9	-79.8	0	0	0	109.8	F39 Q40 E49 K120	F39-F42 AromaticContact CD1-CE2 3.73Å; F39-F42 HydrophobicContact CD1-CE2 3.73Å; F39-F42 HydrophobicContact CD1-CZ 4.01Å; F39-F42 AromaticContact CE1-CE2 3.84Å; F39-F42 HydrophobicContact CE1-CE2 3.84Å; F39-F42 AromaticContact CE1-CZ 3.74Å; F39-F42 HydrophobicContact CE1-CZ 3.74Å; Q40-F42 PolarHBondContact O-N 3.4Å; F42-E49 HydrophobicContact CD1-CG 4.3Å; F42-K120 PolarHBondContact O-NZ 3.47Å
43	N	38.4	Very low	48.9	Very low	88 Å²	88	106.1 Å²	106.1	47%	0.471	56%	0.563	S	S	.	*			trans	-114.5	138.9	169.8	-75.5	-26.3	0	0	0	107.6	N41 K120	N41-N43 PolarHBondContact O-N 2.94Å; N41-N43 VanDerWaalsContact O-N 3.11Å; N43-K120 PolarHBondContact OD1-NZ 2.93Å
44	H	48.7	Very low	50.7	Low	133 Å²	133	100.3 Å²	100.3	62%	0.616	53%	0.527	S	S	*	.	S	Bend	trans	87.6	139.1	163.7	-75.3	-96.3	0	0	0	117.1	S46 E49	H44-S46 WeakPolarHBondContact CB-OG 3.32Å; H44-S46 PolarHBondContact O-N 2.98Å; H44-E49 WeakPolarHBondContact O-CG 3.21Å
45	N	51.6	Low	52.5	Low	81 Å²	81	97.4 Å²	97.4	43%	0.433	51%	0.507	S	S	.	.	S	Bend	trans	-49.1	44.7	138.4	-68.9	-10.7	0	0	0	112.2	M117	N45-M117 PolarHBondContact ND2-SD 3.45Å; N45-M117 VanDerWaalsContact ND2-SD 3.37Å
46	S	57.2	Low	54.4	Low	41 Å²	41	92.9 Å²	92.9	29%	0.287	49%	0.486	S	S	.	.			trans	-84.6	141.2	178.3	-93.3	0	0	0	0	104.9	H44 A48 E49 L50	H44-S46 WeakPolarHBondContact CB-OG 3.32Å; H44-S46 PolarHBondContact O-N 2.98Å; S46-A48 PolarHBondContact O-N 3Å; S46-E49 PolarHBondContact O-N 3.1Å; S46-L50 PolarHBondContact O-N 3.16Å
47	I	66.3	Low	56.4	Low	126 Å²	126	81.4 Å²	81.4	65%	0.646	44%	0.442	S	S	*	.	H	α-helix	trans	-41.5	-33.3	163.9	-67.8	165.3	0	0	0	110.9	H51 F103	I47-H51 WeakPolarHBondContact O-CB 3.46Å; I47-H51 PolarHBondContact O-N 3.04Å; I47-F103 HydrophobicContact CG2-CE1 3.83Å; I47-F103 HydrophobicContact CG2-CZ 3.91Å
48	A	64	Low	58.9	Low	70 Å²	70	76.3 Å²	76.3	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-62.7	-40	174.8	0	0	0	0	0	115.7	S46 H51 F52	S46-A48 PolarHBondContact O-N 3Å; A48-H51 PolarHBondContact O-N 2.92Å; A48-F52 PolarHBondContact O-N 2.92Å
49	E	62.9	Low	61.4	Low	41 Å²	41	76.4 Å²	76.4	19%	0.192	40%	0.396	C	S	.	.	H	α-helix	trans	-72.1	-43.1	177.4	-75.3	-171.4	-179.4	0	0	110.7	F42 H44 S46 H51 F52 V53	F42-E49 HydrophobicContact CD1-CG 4.3Å; H44-E49 WeakPolarHBondContact O-CG 3.21Å; S46-E49 PolarHBondContact O-N 3.1Å; E49-H51 VanDerWaalsContact C-N 3.25Å; E49-H51 PolarHBondContact O-N 3.37Å; E49-F52 WeakPolarHBondContact O-CB 3.24Å; E49-F52 PolarHBondContact O-N 3.11Å; E49-F52 VanDerWaalsContact O-N 3.13Å; E49-V53 WeakPolarHBondContact O-CG2 3.45Å; E49-V53 PolarHBondContact O-N 3.29Å
50	L	70.4	Confident	63.7	Low	38 Å²	38	72.7 Å²	72.7	20%	0.199	38%	0.383	C	S	.	.	H	α-helix	trans	-59.9	-40.9	173	-67.9	174.2	0	0	0	110.7	S46 F52 V53 F54 F103 F106 C107 A110	S46-L50 PolarHBondContact O-N 3.16Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 3.06Å; L50-V53 PolarHBondContact O-N 3.37Å; L50-F54 VanDerWaalsContact O-CB 3.23Å; L50-F54 WeakPolarHBondContact O-CB 3.21Å; L50-F54 PolarHBondContact O-N 3.49Å; L50-F103 HydrophobicContact CB-CE2 3.97Å; L50-F103 HydrophobicContact CB-CZ 4.04Å; L50-F106 HydrophobicContact CB-CE1 4.39Å; L50-F106 HydrophobicContact CD2-CD1 4.45Å; L50-F106 HydrophobicContact CD2-CE1 3.92Å; L50-C107 HydrophobicContact CD1-CB 4.17Å; L50-C107 VanDerWaalsContact CD1-SG 3.59Å; L50-A110 HydrophobicContact CD2-CB 3.59Å
51	H	72.6	Confident	66	Low	110 Å²	110	67.3 Å²	67.3	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-65.5	-37.6	176.8	-173.7	-78.3	0	0	0	111.6	I47 A48 E49 S55 F103	I47-H51 WeakPolarHBondContact O-CB 3.46Å; I47-H51 PolarHBondContact O-N 3.04Å; A48-H51 PolarHBondContact O-N 2.92Å; E49-H51 VanDerWaalsContact C-N 3.25Å; E49-H51 PolarHBondContact O-N 3.37Å; H51-S55 WeakPolarHBondContact O-CB 3.28Å; H51-S55 PolarHBondContact O-N 3.23Å; H51-S55 PolarHBondContact O-OG 2.71Å; H51-F103 VanDerWaalsContact CA-CE2 3.46Å; H51-F103 HydrophobicContact CB-CE2 3.92Å; H51-F103 HydrophobicContact CB-CZ 4.01Å
52	F	69.8	Low	68.6	Low	60 Å²	60	65.1 Å²	65.1	26%	0.263	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-47.4	173.2	-179.4	-93	0	0	0	111.2	A48 E49 L50 S55 Q56	A48-F52 PolarHBondContact O-N 2.92Å; E49-F52 WeakPolarHBondContact O-CB 3.24Å; E49-F52 PolarHBondContact O-N 3.11Å; E49-F52 VanDerWaalsContact O-N 3.13Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 3.06Å; F52-S55 PolarHBondContact O-N 2.73Å; F52-S55 PolarHBondContact O-OG 2.74Å; F52-Q56 HydrophobicContact CE1-CG 4.17Å; F52-Q56 PolarHBondContact O-N 3.24Å
53	V	71.2	Confident	71.1	Confident	34 Å²	34	63.5 Å²	63.5	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-48.2	177	178.9	0	0	0	0	110.1	E49 L50 S55 Q56 F57 F106	E49-V53 WeakPolarHBondContact O-CG2 3.45Å; E49-V53 PolarHBondContact O-N 3.29Å; L50-V53 PolarHBondContact O-N 3.37Å; V53-S55 VanDerWaalsContact C-N 3.27Å; V53-S55 PolarHBondContact O-N 3.3Å; V53-Q56 WeakPolarHBondContact O-CA 3.1Å; V53-Q56 VanDerWaalsContact O-CB 3.29Å; V53-Q56 WeakPolarHBondContact O-CB 3.13Å; V53-Q56 PolarHBondContact O-N 3.48Å; V53-F57 HydrophobicContact CG1-CD2 4.14Å; V53-F57 HydrophobicContact CG1-CE2 3.72Å; V53-F57 WeakPolarHBondContact O-CD2 3.22Å; V53-F57 PolarHBondContact O-N 2.82Å; V53-F106 HydrophobicContact CB-CE1 4.29Å; V53-F106 HydrophobicContact CB-CZ 4.11Å; V53-F106 HydrophobicContact CG1-CE1 4.23Å; V53-F106 HydrophobicContact CG1-CE2 4.43Å; V53-F106 HydrophobicContact CG1-CZ 3.55Å
54	F	78.8	Confident	73.5	Confident	7 Å²	7	62.2 Å²	62.2	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-52.8	-44.9	176.3	-171.1	-89.7	0	0	0	111.9	L50 Q56 F57 D58 G63 I65 F103 F106	L50-F54 VanDerWaalsContact O-CB 3.23Å; L50-F54 WeakPolarHBondContact O-CB 3.21Å; L50-F54 PolarHBondContact O-N 3.49Å; F54-Q56 PolarHBondContact O-N 2.73Å; F54-F57 WeakPolarHBondContact O-CA 3.32Å; F54-F57 PolarHBondContact O-N 2.77Å; F54-D58 HydrophobicContact CD1-CB 4.15Å; F54-D58 HydrophobicContact CE1-CB 3.91Å; F54-D58 PolarHBondContact O-N 3Å; F54-G63 WeakPolarHBondContact CE1-O 3.15Å; F54-G63 WeakPolarHBondContact CZ-O 3.35Å; F54-I65 HydrophobicContact CD2-CD1 3.59Å; F54-I65 HydrophobicContact CD2-CG1 4.09Å; F54-I65 HydrophobicContact CE2-CD1 3.55Å; F54-I65 HydrophobicContact CE2-CG1 3.66Å; F54-I65 HydrophobicContact CG-CD1 4.38Å; F54-I65 HydrophobicContact CZ-CD1 4.31Å; F54-I65 HydrophobicContact CZ-CG1 3.92Å; F54-F103 HydrophobicContact CB-CD2 3.83Å; F54-F103 HydrophobicContact CB-CE2 4.14Å; F54-F103 HydrophobicContact CD1-CD2 4.25Å; F54-F103 HydrophobicContact CD2-CB 4.33Å; F54-F103 AromaticContact CD2-CD2 3.86Å; F54-F103 HydrophobicContact CD2-CD2 3.86Å; F54-F103 HydrophobicContact CE2-CB 4.14Å; F54-F103 HydrophobicContact CE2-CD2 4.49Å; F54-F103 AromaticContact CG-CD2 3.71Å; F54-F103 HydrophobicContact CG-CD2 3.71Å; F54-F103 HydrophobicContact CG-CE2 4.49Å; F54-F103 HydrophobicContact CZ-CB 4.24Å; F54-F106 HydrophobicContact CB-CD1 4.44Å; F54-F106 HydrophobicContact CD2-CB 3.81Å; F54-F106 HydrophobicContact CD2-CD1 4.24Å; F54-F106 HydrophobicContact CD2-CD2 4.34Å; F54-F106 AromaticContact CD2-CG 3.86Å; F54-F106 HydrophobicContact CD2-CG 3.86Å; F54-F106 HydrophobicContact CE2-CB 4.14Å
55	S	77.1	Confident	75.3	Confident	52 Å²	52	56 Å²	56	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-16.1	176.4	75.5	0	0	0	0	114.9	H51 F52 V53	H51-S55 WeakPolarHBondContact O-CB 3.28Å; H51-S55 PolarHBondContact O-N 3.23Å; H51-S55 PolarHBondContact O-OG 2.71Å; F52-S55 PolarHBondContact O-N 2.73Å; F52-S55 PolarHBondContact O-OG 2.74Å; V53-S55 VanDerWaalsContact C-N 3.27Å; V53-S55 PolarHBondContact O-N 3.3Å
56	Q	75.5	Confident	77	Confident	98 Å²	98	53.8 Å²	53.8	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-80	-25.2	171	-61.2	-56.9	-66.4	0	0	112.1	F52 V53 F54	F52-Q56 HydrophobicContact CE1-CG 4.17Å; F52-Q56 PolarHBondContact O-N 3.24Å; V53-Q56 WeakPolarHBondContact O-CA 3.1Å; V53-Q56 VanDerWaalsContact O-CB 3.29Å; V53-Q56 WeakPolarHBondContact O-CB 3.13Å; V53-Q56 PolarHBondContact O-N 3.48Å; F54-Q56 PolarHBondContact O-N 2.73Å
57	F	79.6	Confident	78.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-88.8	-42.8	176	-72.9	-101	0	0	0	112.4	V53 F54 V59 I65 E69 L70 V73 F106 V190 F193	V53-F57 HydrophobicContact CG1-CD2 4.14Å; V53-F57 HydrophobicContact CG1-CE2 3.72Å; V53-F57 WeakPolarHBondContact O-CD2 3.22Å; V53-F57 PolarHBondContact O-N 2.82Å; F54-F57 WeakPolarHBondContact O-CA 3.32Å; F54-F57 PolarHBondContact O-N 2.77Å; F57-V59 VanDerWaalsContact C-N 3.27Å; F57-V59 PolarHBondContact O-N 2.73Å; F57-I65 HydrophobicContact CB-CB 4.49Å; F57-I65 HydrophobicContact CB-CD1 3.44Å; F57-I65 VanDerWaalsContact CB-CD1 3.44Å; F57-I65 HydrophobicContact CB-CG1 3.64Å; F57-I65 HydrophobicContact CB-CG2 4.03Å; F57-I65 HydrophobicContact CD1-CD1 4.44Å; F57-I65 HydrophobicContact CD1-CG2 4.41Å; F57-I65 HydrophobicContact CG-CD1 3.97Å; F57-E69 WeakPolarHBondContact O-CB 3.25Å; F57-L70 HydrophobicContact CD1-CD1 4.15Å; F57-L70 HydrophobicContact CE1-CD1 3.76Å; F57-V73 HydrophobicContact CB-CG2 4.22Å; F57-V73 HydrophobicContact CD1-CB 3.8Å; F57-V73 HydrophobicContact CD1-CG1 3.82Å; F57-V73 HydrophobicContact CD1-CG2 3.63Å; F57-V73 HydrophobicContact CE1-CB 3.95Å; F57-V73 HydrophobicContact CE1-CG1 3.58Å; F57-V73 HydrophobicContact CE1-CG2 4.25Å; F57-V73 HydrophobicContact CE2-CG1 4.47Å; F57-V73 HydrophobicContact CG-CG1 4.39Å; F57-V73 HydrophobicContact CG-CG2 3.94Å; F57-V73 HydrophobicContact CZ-CG1 3.97Å; F57-F106 HydrophobicContact CE2-CE2 4.39Å; F57-V190 HydrophobicContact CE1-CG1 4.36Å; F57-V190 HydrophobicContact CE2-CG1 4.1Å; F57-V190 HydrophobicContact CE2-CG2 4.31Å; F57-V190 HydrophobicContact CZ-CG1 3.57Å; F57-F193 HydrophobicContact CE1-CD1 4.28Å; F57-F193 AromaticContact CZ-CD1 3.95Å; F57-F193 HydrophobicContact CZ-CD1 3.95Å; F57-F193 HydrophobicContact CZ-CE1 4.5Å
58	D	84.3	Confident	79.4	Confident	18 Å²	18	53.7 Å²	53.7	10%	0.096	32%	0.315	C	S	.	.			trans	-72.6	81.2	175.8	-179.2	11.3	0	0	0	110.1	F54 N60 G61 D62 G63	F54-D58 HydrophobicContact CD1-CB 4.15Å; F54-D58 HydrophobicContact CE1-CB 3.91Å; F54-D58 PolarHBondContact O-N 3Å; D58-N60 VanDerWaalsContact C-N 3.29Å; D58-N60 PolarHBondContact OD1-OD1 3.25Å; D58-N60 VanDerWaalsContact OD1-OD1 3.13Å; D58-G61 VanDerWaalsContact CG-CA 3.49Å; D58-G61 VanDerWaalsContact OD1-CA 3.22Å; D58-G61 WeakPolarHBondContact OD1-CA 3Å; D58-G61 PolarHBondContact OD1-N 2.83Å; D58-G61 VanDerWaalsContact OD2-C 3.26Å; D58-G61 VanDerWaalsContact OD2-CA 3.26Å; D58-G61 WeakPolarHBondContact OD2-CA 2.99Å; D58-D62 PolarHBondContact OD1-N 3.2Å; D58-D62 VanDerWaalsContact OD1-N 3.12Å; D58-D62 PolarHBondContact OD2-N 2.94Å; D58-G63 WeakPolarHBondContact OD2-CA 3.22Å; D58-G63 PolarHBondContact OD2-N 2.84Å
59	V	81.4	Confident	80.6	Confident	69 Å²	69	50.7 Å²	50.7	42%	0.418	29%	0.289	S	S	.	.	S	Bend	trans	-68.8	-34.1	-177.5	177.9	0	0	0	0	110.5	F57 E69	F57-V59 VanDerWaalsContact C-N 3.27Å; F57-V59 PolarHBondContact O-N 2.73Å; V59-E69 HydrophobicContact CB-CG 4.22Å; V59-E69 HydrophobicContact CG2-CG 4.3Å; V59-E69 PolarHBondContact N-OE1 2.93Å
60	N	85.4	Confident	81.6	Confident	90 Å²	90	48.8 Å²	48.8	48%	0.481	28%	0.28	S	S	.	.	S	Bend	trans	-85	-18.8	-176.8	77.1	39.4	0	0	0	112.7	D58 D62 E69	D58-N60 VanDerWaalsContact C-N 3.29Å; D58-N60 PolarHBondContact OD1-OD1 3.25Å; D58-N60 VanDerWaalsContact OD1-OD1 3.13Å; N60-D62 PolarHBondContact ND2-OD2 3.49Å; N60-D62 VanDerWaalsContact ND2-OD2 3.09Å; N60-D62 WeakPolarHBondContact OD1-CA 3.41Å; N60-D62 WeakPolarHBondContact OD1-CB 3.37Å; N60-D62 PolarHBondContact OD1-N 3.37Å; N60-D62 PolarHBondContact OD1-OD1 2.84Å; N60-D62 PolarHBondContact OD1-OD2 3.3Å; N60-E69 WeakPolarHBondContact CB-OE1 2.83Å; N60-E69 PolarHBondContact N-OE1 3.29Å; N60-E69 VanDerWaalsContact N-OE1 3.13Å; N60-E69 PolarHBondContact ND2-OE1 2.88Å
61	G	83.8	Confident	82.2	Confident	58 Å²	58	51.2 Å²	51.2	60%	0.598	29%	0.289	S	S	*	.			trans	77.2	23	178.8	0	0	0	0	0	114.5	D58 G63	D58-G61 VanDerWaalsContact CG-CA 3.49Å; D58-G61 VanDerWaalsContact OD1-CA 3.22Å; D58-G61 WeakPolarHBondContact OD1-CA 3Å; D58-G61 PolarHBondContact OD1-N 2.83Å; D58-G61 VanDerWaalsContact OD2-C 3.26Å; D58-G61 VanDerWaalsContact OD2-CA 3.26Å; D58-G61 WeakPolarHBondContact OD2-CA 2.99Å; G61-G63 VanDerWaalsContact C-N 3.29Å
62	D	87.5	Confident	82.8	Confident	86 Å²	86	49.5 Å²	49.5	46%	0.46	28%	0.282	S	S	.	.	S	Bend	trans	-83.2	-4.9	-177.2	71.3	12.2	0	0	0	113.4	D58 N60 F64	D58-D62 PolarHBondContact OD1-N 3.2Å; D58-D62 VanDerWaalsContact OD1-N 3.12Å; D58-D62 PolarHBondContact OD2-N 2.94Å; N60-D62 PolarHBondContact ND2-OD2 3.49Å; N60-D62 VanDerWaalsContact ND2-OD2 3.09Å; N60-D62 WeakPolarHBondContact OD1-CA 3.41Å; N60-D62 WeakPolarHBondContact OD1-CB 3.37Å; N60-D62 PolarHBondContact OD1-N 3.37Å; N60-D62 PolarHBondContact OD1-OD1 2.84Å; N60-D62 PolarHBondContact OD1-OD2 3.3Å; D62-F64 WeakPolarHBondContact O-CD2 3.34Å; D62-F64 WeakPolarHBondContact OD1-CA 3.44Å; D62-F64 WeakPolarHBondContact OD1-CB 3.18Å; D62-F64 PolarHBondContact OD1-N 3.47Å; D62-F64 VanDerWaalsContact OD1-O 3.07Å
63	G	86.1	Confident	83.1	Confident	33 Å²	33	47.2 Å²	47.2	34%	0.34	27%	0.272	S	S	.	.	S	Bend	trans	85.1	10.9	-177.8	0	0	0	0	0	113.9	F54 D58 G61	F54-G63 WeakPolarHBondContact CE1-O 3.15Å; F54-G63 WeakPolarHBondContact CZ-O 3.35Å; D58-G63 WeakPolarHBondContact OD2-CA 3.22Å; D58-G63 PolarHBondContact OD2-N 2.84Å; G61-G63 VanDerWaalsContact C-N 3.29Å
64	F	89.5	Confident	83.3	Confident	62 Å²	62	45.7 Å²	45.7	27%	0.272	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.3	178.7	-57.3	-85.8	0	0	0	111.2	D62 K100 I101	D62-F64 WeakPolarHBondContact O-CD2 3.34Å; D62-F64 WeakPolarHBondContact OD1-CA 3.44Å; D62-F64 WeakPolarHBondContact OD1-CB 3.18Å; D62-F64 PolarHBondContact OD1-N 3.47Å; D62-F64 VanDerWaalsContact OD1-O 3.07Å; F64-K100 HydrophobicContact CB-CB 4Å; F64-K100 HydrophobicContact CB-CD 4.13Å; F64-K100 HydrophobicContact CB-CG 4.42Å; F64-K100 HydrophobicContact CD1-CB 4.31Å; F64-K100 HydrophobicContact CD1-CD 3.51Å; F64-K100 HydrophobicContact CD1-CG 3.87Å; F64-K100 HydrophobicContact CD2-CD 4.18Å; F64-K100 HydrophobicContact CE1-CD 3.93Å; F64-K100 HydrophobicContact CE1-CG 4.5Å; F64-K100 VanDerWaalsContact CE1-NZ 3.32Å; F64-K100 HydrophobicContact CG-CB 4.38Å; F64-K100 HydrophobicContact CG-CD 3.67Å; F64-K100 HydrophobicContact CG-CG 4.27Å; F64-K100 HydrophobicContact CZ-CD 4.44Å; F64-I101 WeakPolarHBondContact CA-O 3.33Å
65	I	85.6	Confident	83.3	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.8	171.9	-55.4	163.8	0	0	0	108.1	F54 F57 E69 L70 F90 I101 F106	F54-I65 HydrophobicContact CD2-CD1 3.59Å; F54-I65 HydrophobicContact CD2-CG1 4.09Å; F54-I65 HydrophobicContact CE2-CD1 3.55Å; F54-I65 HydrophobicContact CE2-CG1 3.66Å; F54-I65 HydrophobicContact CG-CD1 4.38Å; F54-I65 HydrophobicContact CZ-CD1 4.31Å; F54-I65 HydrophobicContact CZ-CG1 3.92Å; F57-I65 HydrophobicContact CB-CB 4.49Å; F57-I65 HydrophobicContact CB-CD1 3.44Å; F57-I65 VanDerWaalsContact CB-CD1 3.44Å; F57-I65 HydrophobicContact CB-CG1 3.64Å; F57-I65 HydrophobicContact CB-CG2 4.03Å; F57-I65 HydrophobicContact CD1-CD1 4.44Å; F57-I65 HydrophobicContact CD1-CG2 4.41Å; F57-I65 HydrophobicContact CG-CD1 3.97Å; I65-E69 HydrophobicContact CG2-CB 4.08Å; I65-L70 HydrophobicContact CG2-CB 4.2Å; I65-F90 WeakPolarHBondContact O-CE2 2.99Å; I65-I101 HydrophobicContact CB-CB 4.18Å; I65-I101 PolarHBondContact N-O 2.72Å; I65-I101 PolarHBondContact O-N 3.25Å; I65-F106 HydrophobicContact CD1-CD2 4.08Å
66	S	88.5	Confident	83	Confident	36 Å²	36	55.4 Å²	55.4	25%	0.252	30%	0.297	S	S	.	.			trans	-77.6	159.8	172.6	65.7	0	0	0	0	112	T68 E69 L70	S66-T68 PolarHBondContact O-N 2.92Å; S66-T68 VanDerWaalsContact O-N 3.16Å; S66-E69 VanDerWaalsContact CB-OE2 3.31Å; S66-E69 WeakPolarHBondContact CB-OE2 3.42Å; S66-E69 PolarHBondContact N-OE2 3.45Å; S66-E69 WeakPolarHBondContact O-CB 3.21Å; S66-E69 PolarHBondContact O-N 2.91Å; S66-E69 WeakPolarHBondContact OG-CG 3.43Å; S66-E69 PolarHBondContact OG-N 3.48Å; S66-E69 PolarHBondContact OG-OE2 3.05Å; S66-L70 PolarHBondContact O-N 2.61Å
67	E	86.8	Confident	82.6	Confident	76 Å²	76	52.6 Å²	52.6	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-54.8	-35.1	174	-173.8	-179.3	175.5	0	0	111.7	K71 L86 F90	E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 3.42Å; E67-L86 HydrophobicContact CG-CD2 3.58Å; E67-L86 HydrophobicContact CG-CG 3.74Å; E67-F90 HydrophobicContact CB-CD2 3.91Å; E67-F90 HydrophobicContact CB-CE2 4.06Å; E67-F90 HydrophobicContact CB-CG 4.32Å; E67-F90 HydrophobicContact CG-CD2 4.38Å; E67-F90 VanDerWaalsContact N-CE2 3.26Å
68	T	87.4	Confident	82.2	Confident	89 Å²	89	55.5 Å²	55.5	55%	0.546	31%	0.314	S	S	.	.	H	α-helix	trans	-70	-39	177.8	-60.2	0	0	0	0	112	S66 K71 Q72	S66-T68 PolarHBondContact O-N 2.92Å; S66-T68 VanDerWaalsContact O-N 3.16Å; T68-K71 WeakPolarHBondContact O-CB 3.43Å; T68-K71 PolarHBondContact O-N 3.23Å; T68-Q72 VanDerWaalsContact O-CG 3.31Å; T68-Q72 WeakPolarHBondContact O-CG 3.34Å; T68-Q72 PolarHBondContact O-N 3.32Å
69	E	88.1	Confident	81.5	Confident	7 Å²	7	59 Å²	59	3%	0.033	33%	0.33	C	S	.	.	H	α-helix	trans	-68.3	-44.1	176.7	-82.8	160	151.9	0	0	112.1	F57 V59 N60 I65 S66 K71 Q72 V73	F57-E69 WeakPolarHBondContact O-CB 3.25Å; V59-E69 HydrophobicContact CB-CG 4.22Å; V59-E69 HydrophobicContact CG2-CG 4.3Å; V59-E69 PolarHBondContact N-OE1 2.93Å; N60-E69 WeakPolarHBondContact CB-OE1 2.83Å; N60-E69 PolarHBondContact N-OE1 3.29Å; N60-E69 VanDerWaalsContact N-OE1 3.13Å; N60-E69 PolarHBondContact ND2-OE1 2.88Å; I65-E69 HydrophobicContact CG2-CB 4.08Å; S66-E69 VanDerWaalsContact CB-OE2 3.31Å; S66-E69 WeakPolarHBondContact CB-OE2 3.42Å; S66-E69 PolarHBondContact N-OE2 3.45Å; S66-E69 WeakPolarHBondContact O-CB 3.21Å; S66-E69 PolarHBondContact O-N 2.91Å; S66-E69 WeakPolarHBondContact OG-CG 3.43Å; S66-E69 PolarHBondContact OG-N 3.48Å; S66-E69 PolarHBondContact OG-OE2 3.05Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 PolarHBondContact O-N 2.66Å; E69-Q72 PolarHBondContact O-N 2.67Å; E69-Q72 VanDerWaalsContact O-N 3.13Å; E69-V73 WeakPolarHBondContact O-CG2 3.44Å; E69-V73 PolarHBondContact O-N 3.33Å
70	L	83.7	Confident	81.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-55.1	-47.8	172.6	177.5	57.2	0	0	0	110.6	F57 I65 S66 Q72 V73 M74 L86 M89 F90 M197	F57-L70 HydrophobicContact CD1-CD1 4.15Å; F57-L70 HydrophobicContact CE1-CD1 3.76Å; I65-L70 HydrophobicContact CG2-CB 4.2Å; S66-L70 PolarHBondContact O-N 2.61Å; L70-Q72 PolarHBondContact O-N 2.77Å; L70-V73 PolarHBondContact O-N 2.98Å; L70-M74 HydrophobicContact CD1-CG 4.32Å; L70-M74 HydrophobicContact CD1-SD 4.31Å; L70-M74 HydrophobicContact CG-SD 4.25Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.07Å; L70-M74 PolarHBondContact O-N 3.25Å; L70-L86 HydrophobicContact CB-CD1 4.26Å; L70-L86 HydrophobicContact CD2-CD1 3.95Å; L70-L86 HydrophobicContact CG-CD1 3.85Å; L70-M89 HydrophobicContact CD2-CB 4.43Å; L70-F90 HydrophobicContact CD2-CD2 4.21Å; L70-M197 HydrophobicContact CD1-CE 3.56Å; L70-M197 HydrophobicContact CD2-CE 3.94Å; L70-M197 HydrophobicContact CD2-SD 4.07Å; L70-M197 HydrophobicContact CG-CE 4.38Å
71	K	84.5	Confident	80.8	Confident	90 Å²	90	59.8 Å²	59.8	39%	0.391	33%	0.328	S	S	.	.	H	α-helix	trans	-58.1	-46.5	175.4	-173.7	179.3	179.5	175.2	0	112.5	E67 T68 E69 V73 M74 M75 P81 L86	E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 3.42Å; T68-K71 WeakPolarHBondContact O-CB 3.43Å; T68-K71 PolarHBondContact O-N 3.23Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 PolarHBondContact O-N 2.66Å; K71-V73 VanDerWaalsContact C-N 3.31Å; K71-V73 PolarHBondContact O-N 2.91Å; K71-M74 PolarHBondContact O-N 2.79Å; K71-M75 HydrophobicContact CG-CG 4.45Å; K71-M75 HydrophobicContact CG-SD 4.19Å; K71-M75 VanDerWaalsContact O-CG 3.3Å; K71-M75 WeakPolarHBondContact O-CG 3.44Å; K71-M75 PolarHBondContact O-N 3.14Å; K71-P81 HydrophobicContact CG-CG 4.45Å; K71-L86 HydrophobicContact CB-CD1 4.02Å; K71-L86 HydrophobicContact CB-CD2 3.73Å; K71-L86 HydrophobicContact CD-CD2 4.02Å; K71-L86 HydrophobicContact CG-CD2 4.11Å
72	Q	83.8	Confident	80.7	Confident	74 Å²	74	60.8 Å²	60.8	35%	0.346	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-41.7	179.9	-76.2	179.9	25.6	0	0	111.8	T68 E69 L70 M75 R76	T68-Q72 VanDerWaalsContact O-CG 3.31Å; T68-Q72 WeakPolarHBondContact O-CG 3.34Å; T68-Q72 PolarHBondContact O-N 3.32Å; E69-Q72 PolarHBondContact O-N 2.67Å; E69-Q72 VanDerWaalsContact O-N 3.13Å; L70-Q72 PolarHBondContact O-N 2.77Å; Q72-M75 PolarHBondContact O-N 2.83Å; Q72-R76 VanDerWaalsContact O-CG 3.31Å; Q72-R76 WeakPolarHBondContact O-CG 3.47Å; Q72-R76 PolarHBondContact O-N 2.72Å
73	V	77.5	Confident	80.5	Confident	11 Å²	11	61 Å²	61	7%	0.067	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-46.6	176.2	175.7	0	0	0	0	110.5	F57 E69 L70 K71 M75 R76 L77 V190	F57-V73 HydrophobicContact CB-CG2 4.22Å; F57-V73 HydrophobicContact CD1-CB 3.8Å; F57-V73 HydrophobicContact CD1-CG1 3.82Å; F57-V73 HydrophobicContact CD1-CG2 3.63Å; F57-V73 HydrophobicContact CE1-CB 3.95Å; F57-V73 HydrophobicContact CE1-CG1 3.58Å; F57-V73 HydrophobicContact CE1-CG2 4.25Å; F57-V73 HydrophobicContact CE2-CG1 4.47Å; F57-V73 HydrophobicContact CG-CG1 4.39Å; F57-V73 HydrophobicContact CG-CG2 3.94Å; F57-V73 HydrophobicContact CZ-CG1 3.97Å; E69-V73 WeakPolarHBondContact O-CG2 3.44Å; E69-V73 PolarHBondContact O-N 3.33Å; L70-V73 PolarHBondContact O-N 2.98Å; K71-V73 VanDerWaalsContact C-N 3.31Å; K71-V73 PolarHBondContact O-N 2.91Å; V73-M75 VanDerWaalsContact C-N 3.3Å; V73-M75 PolarHBondContact O-N 3.17Å; V73-R76 WeakPolarHBondContact O-CA 3.33Å; V73-R76 WeakPolarHBondContact O-CB 3.41Å; V73-R76 PolarHBondContact O-N 3.45Å; V73-L77 HydrophobicContact CG1-CD1 4.24Å; V73-L77 HydrophobicContact CG1-CG 4.48Å; V73-L77 WeakPolarHBondContact O-CG 3.16Å; V73-L77 PolarHBondContact O-N 2.75Å; V73-V190 HydrophobicContact CG1-CG1 3.84Å
74	M	73.6	Confident	80.3	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-57.4	-44.8	177.2	-69.1	-177.1	71	0	0	111.8	L70 K71 R76 L77 G78 Q79 P81 L86 M89 V194	L70-M74 HydrophobicContact CD1-CG 4.32Å; L70-M74 HydrophobicContact CD1-SD 4.31Å; L70-M74 HydrophobicContact CG-SD 4.25Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.07Å; L70-M74 PolarHBondContact O-N 3.25Å; K71-M74 PolarHBondContact O-N 2.79Å; M74-R76 VanDerWaalsContact C-N 3.29Å; M74-R76 PolarHBondContact O-N 2.88Å; M74-L77 CarbonylContact O-C 3.6Å; M74-L77 WeakPolarHBondContact O-CA 3.25Å; M74-L77 WeakPolarHBondContact O-CB 3.22Å; M74-L77 PolarHBondContact O-N 3.03Å; M74-G78 PolarHBondContact O-N 3.23Å; M74-Q79 CarbonylContact C-O 3.59Å; M74-Q79 HydrophobicContact CB-CB 4.33Å; M74-Q79 HydrophobicContact CE-CB 4.28Å; M74-Q79 PolarHBondContact O-N 3.3Å; M74-P81 HydrophobicContact CB-CG 4.02Å; M74-P81 HydrophobicContact CE-CB 3.51Å; M74-P81 HydrophobicContact CE-CG 3.63Å; M74-P81 HydrophobicContact CG-CG 4.45Å; M74-P81 HydrophobicContact SD-CB 3.94Å; M74-P81 HydrophobicContact SD-CG 3.59Å; M74-P81 VanDerWaalsContact SD-CG 3.59Å; M74-L86 HydrophobicContact SD-CD1 4.16Å; M74-M89 HydrophobicContact CE-CE 3.51Å; M74-M89 HydrophobicContact CE-SD 3.56Å; M74-M89 VanDerWaalsContact CE-SD 3.56Å; M74-M89 HydrophobicContact SD-CE 3.58Å; M74-M89 VanDerWaalsContact SD-CE 3.58Å; M74-M89 HydrophobicContact SD-SD 3.68Å; M74-M89 VanDerWaalsContact SD-SD 3.68Å; M74-V194 HydrophobicContact CE-CG1 3.68Å; M74-V194 HydrophobicContact CE-CG2 4.24Å; M74-V194 HydrophobicContact CG-CG2 3.84Å; M74-V194 HydrophobicContact SD-CG2 4.3Å
75	M	79	Confident	79.8	Confident	99 Å²	99	65.8 Å²	65.8	49%	0.488	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-37.8	175.3	-69.7	-178.8	74.3	0	0	112.1	K71 Q72 V73 L77 G78 Q79	K71-M75 HydrophobicContact CG-CG 4.45Å; K71-M75 HydrophobicContact CG-SD 4.19Å; K71-M75 VanDerWaalsContact O-CG 3.3Å; K71-M75 WeakPolarHBondContact O-CG 3.44Å; K71-M75 PolarHBondContact O-N 3.14Å; Q72-M75 PolarHBondContact O-N 2.83Å; V73-M75 VanDerWaalsContact C-N 3.3Å; V73-M75 PolarHBondContact O-N 3.17Å; M75-L77 VanDerWaalsContact C-N 3.28Å; M75-L77 PolarHBondContact O-N 3.38Å; M75-G78 PolarHBondContact O-N 2.9Å; M75-G78 VanDerWaalsContact O-N 3.12Å; M75-Q79 WeakPolarHBondContact CA-O 3.05Å; M75-Q79 PolarHBondContact N-O 2.94Å
76	R	72	Confident	79.7	Confident	165 Å²	165	66.1 Å²	66.1	62%	0.623	35%	0.346	S	S	*	.	H	α-helix	trans	-66.2	-28.1	174.6	-72.5	173.6	-174	175	6.2	113	Q72 V73 M74 G78	Q72-R76 VanDerWaalsContact O-CG 3.31Å; Q72-R76 WeakPolarHBondContact O-CG 3.47Å; Q72-R76 PolarHBondContact O-N 2.72Å; V73-R76 WeakPolarHBondContact O-CA 3.33Å; V73-R76 WeakPolarHBondContact O-CB 3.41Å; V73-R76 PolarHBondContact O-N 3.45Å; M74-R76 VanDerWaalsContact C-N 3.29Å; M74-R76 PolarHBondContact O-N 2.88Å; R76-G78 VanDerWaalsContact C-N 3.26Å
77	L	65.9	Low	79.4	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.204	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.4	174.5	-56.9	166.8	0	0	0	113.1	V73 M74 M75 L187 V190 V194	V73-L77 HydrophobicContact CG1-CD1 4.24Å; V73-L77 HydrophobicContact CG1-CG 4.48Å; V73-L77 WeakPolarHBondContact O-CG 3.16Å; V73-L77 PolarHBondContact O-N 2.75Å; M74-L77 CarbonylContact O-C 3.6Å; M74-L77 WeakPolarHBondContact O-CA 3.25Å; M74-L77 WeakPolarHBondContact O-CB 3.22Å; M74-L77 PolarHBondContact O-N 3.03Å; M75-L77 VanDerWaalsContact C-N 3.28Å; M75-L77 PolarHBondContact O-N 3.38Å; L77-L187 HydrophobicContact CD2-CD2 3.61Å; L77-L187 HydrophobicContact CD2-CG 4.37Å; L77-V190 HydrophobicContact CD1-CB 3.99Å; L77-V190 HydrophobicContact CD1-CG1 3.11Å; L77-V190 HydrophobicContact CD2-CB 4.21Å; L77-V190 HydrophobicContact CD2-CG1 3.92Å; L77-V190 HydrophobicContact CG-CG1 4.01Å; L77-V194 HydrophobicContact CD1-CG2 4.35Å
78	G	72.1	Confident	79	Confident	60 Å²	60	70.7 Å²	70.7	62%	0.619	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	16.9	-175.4	0	0	0	0	0	114.1	M74 M75 R76	M74-G78 PolarHBondContact O-N 3.23Å; M75-G78 PolarHBondContact O-N 2.9Å; M75-G78 VanDerWaalsContact O-N 3.12Å; R76-G78 VanDerWaalsContact C-N 3.26Å
79	Q	69.3	Low	78.3	Confident	91 Å²	91	66.4 Å²	66.4	43%	0.425	34%	0.335	S	S	.	.			trans	-100.9	126.1	170.5	-64	-63.6	-60.9	0	0	109.2	M74 M75 P81 L191	M74-Q79 CarbonylContact C-O 3.59Å; M74-Q79 HydrophobicContact CB-CB 4.33Å; M74-Q79 HydrophobicContact CE-CB 4.28Å; M74-Q79 PolarHBondContact O-N 3.3Å; M75-Q79 WeakPolarHBondContact CA-O 3.05Å; M75-Q79 PolarHBondContact N-O 2.94Å; Q79-P81 WeakPolarHBondContact O-CD 3.37Å; Q79-L191 HydrophobicContact CG-CD2 4.32Å
80	E	76.4	Confident	78	Confident	165 Å²	165	66.7 Å²	66.7	77%	0.771	34%	0.337	S	S	*	.			trans	-106.6	85.9	174.9	-68.3	-170.4	163.6	0	0	109.2	N82	E80-N82 PolarHBondContact O-N 3.21Å
81	P	74.9	Confident	77.9	Confident	12 Å²	12	73.2 Å²	73.2	8%	0.078	37%	0.365	C	S	.	.			trans	-65.1	137.2	178.7	29.2	-35.7	0	0	0	109.6	K71 M74 Q79 E85 L86	K71-P81 HydrophobicContact CG-CG 4.45Å; M74-P81 HydrophobicContact CB-CG 4.02Å; M74-P81 HydrophobicContact CE-CB 3.51Å; M74-P81 HydrophobicContact CE-CG 3.63Å; M74-P81 HydrophobicContact CG-CG 4.45Å; M74-P81 HydrophobicContact SD-CB 3.94Å; M74-P81 HydrophobicContact SD-CG 3.59Å; M74-P81 VanDerWaalsContact SD-CG 3.59Å; Q79-P81 WeakPolarHBondContact O-CD 3.37Å; P81-E85 HydrophobicContact CB-CG 4.49Å; P81-L86 HydrophobicContact CB-CB 4.18Å; P81-L86 HydrophobicContact CG-CB 4.42Å; P81-L86 HydrophobicContact CG-CD1 4.2Å
82	N	81.3	Confident	77.6	Confident	79 Å²	79	70.3 Å²	70.3	42%	0.422	36%	0.357	S	S	.	.			trans	-70.2	158.4	166.9	69.1	67.3	0	0	0	109.7	E80 D84 E85 L86	E80-N82 PolarHBondContact O-N 3.21Å; N82-D84 PolarHBondContact O-N 3.08Å; N82-D84 WeakPolarHBondContact OD1-CA 3.48Å; N82-D84 WeakPolarHBondContact OD1-CB 3.33Å; N82-D84 PolarHBondContact OD1-N 3.38Å; N82-E85 PolarHBondContact ND2-OE2 2.8Å; N82-E85 PolarHBondContact O-N 3.29Å; N82-E85 WeakPolarHBondContact OD1-CB 3.49Å; N82-E85 PolarHBondContact OD1-N 3.07Å; N82-L86 WeakPolarHBondContact O-CB 3.16Å; N82-L86 PolarHBondContact O-N 3.04Å
83	P	83.8	Confident	77.2	Confident	91 Å²	91	66.8 Å²	66.8	59%	0.591	34%	0.341	S	S	*	.	H	α-helix	trans	-57.4	-32.8	-177.8	-26	34.8	0	0	0	114.3	R87	P83-R87 VanDerWaalsContact O-CB 3.24Å; P83-R87 WeakPolarHBondContact O-CB 3.13Å; P83-R87 PolarHBondContact O-N 3.2Å
84	D	83.1	Confident	77.6	Confident	126 Å²	126	66.8 Å²	66.8	67%	0.674	34%	0.341	S	S	*	.	H	α-helix	trans	-73.7	-40.3	-179.7	-64.9	-43.2	0	0	0	111.6	N82 R87 A88	N82-D84 PolarHBondContact O-N 3.08Å; N82-D84 WeakPolarHBondContact OD1-CA 3.48Å; N82-D84 WeakPolarHBondContact OD1-CB 3.33Å; N82-D84 PolarHBondContact OD1-N 3.38Å; D84-R87 PolarHBondContact O-N 2.81Å; D84-A88 WeakPolarHBondContact O-CB 2.98Å; D84-A88 PolarHBondContact O-N 3.38Å
85	E	78.8	Confident	77.9	Confident	69 Å²	69	71.8 Å²	71.8	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-49.3	174.4	-180	175.1	-159.2	0	0	110.5	P81 N82 R87 A88 M89 C198	P81-E85 HydrophobicContact CB-CG 4.49Å; N82-E85 PolarHBondContact ND2-OE2 2.8Å; N82-E85 PolarHBondContact O-N 3.29Å; N82-E85 WeakPolarHBondContact OD1-CB 3.49Å; N82-E85 PolarHBondContact OD1-N 3.07Å; E85-R87 VanDerWaalsContact C-N 3.26Å; E85-R87 PolarHBondContact O-N 2.83Å; E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.35Å; E85-A88 VanDerWaalsContact O-N 3.09Å; E85-M89 HydrophobicContact CG-CG 4.33Å; E85-M89 HydrophobicContact CG-SD 3.95Å; E85-M89 WeakPolarHBondContact O-CB 3.16Å; E85-M89 WeakPolarHBondContact O-CG 3.28Å; E85-M89 PolarHBondContact O-N 3.37Å; E85-C198 PolarHBondContact OE1-SG 3.23Å
86	L	82.1	Confident	78.2	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-55.7	-44	175.5	-177	68.4	0	0	0	111.4	E67 L70 K71 M74 P81 N82 M89 F90	E67-L86 HydrophobicContact CG-CD2 3.58Å; E67-L86 HydrophobicContact CG-CG 3.74Å; L70-L86 HydrophobicContact CB-CD1 4.26Å; L70-L86 HydrophobicContact CD2-CD1 3.95Å; L70-L86 HydrophobicContact CG-CD1 3.85Å; K71-L86 HydrophobicContact CB-CD1 4.02Å; K71-L86 HydrophobicContact CB-CD2 3.73Å; K71-L86 HydrophobicContact CD-CD2 4.02Å; K71-L86 HydrophobicContact CG-CD2 4.11Å; M74-L86 HydrophobicContact SD-CD1 4.16Å; P81-L86 HydrophobicContact CB-CB 4.18Å; P81-L86 HydrophobicContact CG-CB 4.42Å; P81-L86 HydrophobicContact CG-CD1 4.2Å; N82-L86 WeakPolarHBondContact O-CB 3.16Å; N82-L86 PolarHBondContact O-N 3.04Å; L86-M89 WeakPolarHBondContact O-CB 3.49Å; L86-M89 PolarHBondContact O-N 3.04Å; L86-F90 WeakPolarHBondContact O-CB 3.49Å; L86-F90 PolarHBondContact O-N 2.73Å
87	R	82.2	Confident	78.7	Confident	172 Å²	172	72.4 Å²	72.4	65%	0.649	37%	0.37	S	S	*	.	H	α-helix	trans	-68	-37.7	177.8	-171.6	178.2	-174.3	-178.6	4.1	112.5	P83 D84 E85 K91	P83-R87 VanDerWaalsContact O-CB 3.24Å; P83-R87 WeakPolarHBondContact O-CB 3.13Å; P83-R87 PolarHBondContact O-N 3.2Å; D84-R87 PolarHBondContact O-N 2.81Å; E85-R87 VanDerWaalsContact C-N 3.26Å; E85-R87 PolarHBondContact O-N 2.83Å; R87-K91 WeakPolarHBondContact O-CB 3.47Å; R87-K91 PolarHBondContact O-N 2.65Å
88	A	78.7	Confident	79.7	Confident	35 Å²	35	74.2 Å²	74.2	29%	0.289	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-46	175.6	0	0	0	0	0	111	D84 E85 K91 A92	D84-A88 WeakPolarHBondContact O-CB 2.98Å; D84-A88 PolarHBondContact O-N 3.38Å; E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.35Å; E85-A88 VanDerWaalsContact O-N 3.09Å; A88-K91 PolarHBondContact O-N 3.45Å; A88-A92 PolarHBondContact O-N 3.29Å
89	M	74	Confident	80.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.2	-50.6	175	-70.8	174.9	86.9	0	0	111.5	L70 M74 E85 L86 K91 A92 A93 V194 M197 C198	L70-M89 HydrophobicContact CD2-CB 4.43Å; M74-M89 HydrophobicContact CE-CE 3.51Å; M74-M89 HydrophobicContact CE-SD 3.56Å; M74-M89 VanDerWaalsContact CE-SD 3.56Å; M74-M89 HydrophobicContact SD-CE 3.58Å; M74-M89 VanDerWaalsContact SD-CE 3.58Å; M74-M89 HydrophobicContact SD-SD 3.68Å; M74-M89 VanDerWaalsContact SD-SD 3.68Å; E85-M89 HydrophobicContact CG-CG 4.33Å; E85-M89 HydrophobicContact CG-SD 3.95Å; E85-M89 WeakPolarHBondContact O-CB 3.16Å; E85-M89 WeakPolarHBondContact O-CG 3.28Å; E85-M89 PolarHBondContact O-N 3.37Å; L86-M89 WeakPolarHBondContact O-CB 3.49Å; L86-M89 PolarHBondContact O-N 3.04Å; M89-K91 PolarHBondContact O-N 3.27Å; M89-A92 WeakPolarHBondContact O-CB 3.21Å; M89-A92 PolarHBondContact O-N 2.91Å; M89-A92 VanDerWaalsContact O-N 3.13Å; M89-A93 PolarHBondContact O-N 2.79Å; M89-A93 VanDerWaalsContact O-N 3.15Å; M89-V194 HydrophobicContact CE-CB 3.93Å; M89-V194 HydrophobicContact CE-CG1 3.65Å; M89-V194 HydrophobicContact CE-CG2 4.08Å; M89-V194 VanDerWaalsContact CE-O 3.28Å; M89-V194 WeakPolarHBondContact CE-O 3.49Å; M89-M197 HydrophobicContact CB-CB 3.58Å; M89-M197 HydrophobicContact CB-CG 4.31Å; M89-M197 HydrophobicContact CB-SD 4.06Å; M89-M197 HydrophobicContact CE-CB 3.69Å; M89-M197 HydrophobicContact CE-CE 3.73Å; M89-M197 HydrophobicContact CG-CB 3.63Å; M89-C198 VanDerWaalsContact SD-SG 3.67Å
90	F	82.2	Confident	81.2	Confident	13 Å²	13	72.7 Å²	72.7	6%	0.057	37%	0.368	C	S	.	.	H	α-helix	trans	-60.2	-46	178.5	-166.2	-88.2	0	0	0	111.3	I65 E67 L70 L86 A92 A93 D94 G99 I101	I65-F90 WeakPolarHBondContact O-CE2 2.99Å; E67-F90 HydrophobicContact CB-CD2 3.91Å; E67-F90 HydrophobicContact CB-CE2 4.06Å; E67-F90 HydrophobicContact CB-CG 4.32Å; E67-F90 HydrophobicContact CG-CD2 4.38Å; E67-F90 VanDerWaalsContact N-CE2 3.26Å; L70-F90 HydrophobicContact CD2-CD2 4.21Å; L86-F90 WeakPolarHBondContact O-CB 3.49Å; L86-F90 PolarHBondContact O-N 2.73Å; F90-A92 VanDerWaalsContact C-N 3.25Å; F90-A92 PolarHBondContact O-N 2.87Å; F90-A93 CarbonylContact O-C 3.4Å; F90-A93 PolarHBondContact O-N 3.29Å; F90-D94 HydrophobicContact CD1-CB 3.99Å; F90-D94 HydrophobicContact CE1-CB 3.77Å; F90-D94 VanDerWaalsContact O-CB 3.26Å; F90-D94 WeakPolarHBondContact O-CB 3.18Å; F90-D94 PolarHBondContact O-N 3.17Å; F90-G99 VanDerWaalsContact CE1-C 3.5Å; F90-G99 VanDerWaalsContact CZ-O 3.24Å; F90-G99 WeakPolarHBondContact CZ-O 3.39Å; F90-I101 HydrophobicContact CD2-CD1 3.89Å; F90-I101 HydrophobicContact CD2-CG1 4.28Å; F90-I101 HydrophobicContact CE2-CD1 3.81Å; F90-I101 HydrophobicContact CE2-CG1 3.84Å; F90-I101 HydrophobicContact CZ-CG1 4.1Å
91	K	80.8	Confident	81.6	Confident	136 Å²	136	64.8 Å²	64.8	59%	0.591	33%	0.332	S	S	*	.	H	α-helix	trans	-64.7	-27.4	177	-175.1	-176.8	176.7	-168.4	0	113.3	R87 A88 M89 A93	R87-K91 WeakPolarHBondContact O-CB 3.47Å; R87-K91 PolarHBondContact O-N 2.65Å; A88-K91 PolarHBondContact O-N 3.45Å; M89-K91 PolarHBondContact O-N 3.27Å; K91-A93 VanDerWaalsContact C-N 3.3Å
92	A	77	Confident	82.2	Confident	29 Å²	29	64.7 Å²	64.7	24%	0.24	33%	0.331	C	S	.	.	H	α-helix	trans	-73.5	-27.2	173.6	0	0	0	0	0	111.9	A88 M89 F90 R200	A88-A92 PolarHBondContact O-N 3.29Å; M89-A92 WeakPolarHBondContact O-CB 3.21Å; M89-A92 PolarHBondContact O-N 2.91Å; M89-A92 VanDerWaalsContact O-N 3.13Å; F90-A92 VanDerWaalsContact C-N 3.25Å; F90-A92 PolarHBondContact O-N 2.87Å; A92-R200 HydrophobicContact CB-CB 4.25Å
93	A	77.4	Confident	82.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-91.3	-39	179.9	0	0	0	0	0	113.8	M89 F90 K91 L95 I101 I109 M197	M89-A93 PolarHBondContact O-N 2.79Å; M89-A93 VanDerWaalsContact O-N 3.15Å; F90-A93 CarbonylContact O-C 3.4Å; F90-A93 PolarHBondContact O-N 3.29Å; K91-A93 VanDerWaalsContact C-N 3.3Å; A93-L95 PolarHBondContact O-N 2.91Å; A93-I101 HydrophobicContact CB-CD1 3.44Å; A93-I101 VanDerWaalsContact CB-CD1 3.44Å; A93-I101 HydrophobicContact CB-CG1 3.74Å; A93-I101 HydrophobicContact CB-CG2 4.39Å; A93-I109 HydrophobicContact CB-CD1 3.36Å; A93-M197 HydrophobicContact CB-SD 3.9Å
94	D	84.5	Confident	82.4	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.064	32%	0.321	C	S	.	.			trans	-77.4	86	178.4	-178.4	5.5	0	0	0	109.9	F90 N96 R97 D98 G99	F90-D94 HydrophobicContact CD1-CB 3.99Å; F90-D94 HydrophobicContact CE1-CB 3.77Å; F90-D94 VanDerWaalsContact O-CB 3.26Å; F90-D94 WeakPolarHBondContact O-CB 3.18Å; F90-D94 PolarHBondContact O-N 3.17Å; D94-N96 PolarHBondContact OD1-OD1 2.88Å; D94-R97 VanDerWaalsContact CG-CA 3.42Å; D94-R97 WeakPolarHBondContact OD1-CA 3.49Å; D94-R97 PolarHBondContact OD1-N 3.44Å; D94-R97 VanDerWaalsContact OD2-CA 3.26Å; D94-R97 WeakPolarHBondContact OD2-CA 3.26Å; D94-D98 PolarHBondContact OD1-N 3.29Å; D94-D98 PolarHBondContact OD2-N 2.9Å; D94-G99 WeakPolarHBondContact OD2-CA 3.12Å; D94-G99 PolarHBondContact OD2-N 2.62Å
95	L	81.1	Confident	82.5	Confident	107 Å²	107	59.4 Å²	59.4	56%	0.56	29%	0.291	S	S	*	.	S	Bend	trans	-70.4	-36.7	-176.8	-63	179.3	0	0	0	110.9	A93 E105 E108	A93-L95 PolarHBondContact O-N 2.91Å; L95-E105 HydrophobicContact CB-CG 4.31Å; L95-E105 HydrophobicContact CD1-CG 4.44Å; L95-E105 HydrophobicContact CG-CG 4.43Å; L95-E105 PolarHBondContact N-OE1 3.15Å; L95-E108 HydrophobicContact CD1-CB 4.26Å
96	N	84.4	Confident	82.5	Confident	87 Å²	87	56.4 Å²	56.4	47%	0.465	28%	0.277	S	S	.	.	S	Bend	trans	-85.5	-14.3	-177.7	74.8	26.5	0	0	0	113	D94 D98 E105	D94-N96 PolarHBondContact OD1-OD1 2.88Å; N96-D98 VanDerWaalsContact C-N 3.34Å; N96-D98 PolarHBondContact ND2-OD2 2.86Å; N96-D98 WeakPolarHBondContact OD1-CB 3.22Å; N96-D98 PolarHBondContact OD1-N 3.19Å; N96-D98 PolarHBondContact OD1-OD1 3.2Å; N96-E105 WeakPolarHBondContact CB-OE1 3.48Å; N96-E105 PolarHBondContact N-OE1 3.48Å; N96-E105 PolarHBondContact ND2-OE1 3.13Å
97	R	83.7	Confident	82.1	Confident	189 Å²	189	56.4 Å²	56.4	71%	0.713	28%	0.278	S	S	*	.			trans	61.8	33.9	-178.8	-57.5	-176.4	-177.6	175.2	4.1	114.2	D94 G99	D94-R97 VanDerWaalsContact CG-CA 3.42Å; D94-R97 WeakPolarHBondContact OD1-CA 3.49Å; D94-R97 PolarHBondContact OD1-N 3.44Å; D94-R97 VanDerWaalsContact OD2-CA 3.26Å; D94-R97 WeakPolarHBondContact OD2-CA 3.26Å; R97-G99 VanDerWaalsContact C-N 3.29Å
98	D	86.3	Confident	81.8	Confident	77 Å²	77	52.8 Å²	52.8	41%	0.412	27%	0.268	S	S	.	.	S	Bend	trans	-86.1	-3	178.1	75.6	-2.4	0	0	0	112.9	D94 N96 K100	D94-D98 PolarHBondContact OD1-N 3.29Å; D94-D98 PolarHBondContact OD2-N 2.9Å; N96-D98 VanDerWaalsContact C-N 3.34Å; N96-D98 PolarHBondContact ND2-OD2 2.86Å; N96-D98 WeakPolarHBondContact OD1-CB 3.22Å; N96-D98 PolarHBondContact OD1-N 3.19Å; N96-D98 PolarHBondContact OD1-OD1 3.2Å; D98-K100 WeakPolarHBondContact OD1-CG 3.34Å; D98-K100 PolarHBondContact OD1-N 3.15Å; D98-K100 WeakPolarHBondContact OD2-CE 3.29Å; D98-K100 WeakPolarHBondContact OD2-CG 3.32Å
99	G	84.6	Confident	81.3	Confident	46 Å²	46	51.9 Å²	51.9	47%	0.474	26%	0.258	S	S	.	.	S	Bend	trans	85.5	13.1	179.3	0	0	0	0	0	114.1	F90 D94 R97	F90-G99 VanDerWaalsContact CE1-C 3.5Å; F90-G99 VanDerWaalsContact CZ-O 3.24Å; F90-G99 WeakPolarHBondContact CZ-O 3.39Å; D94-G99 WeakPolarHBondContact OD2-CA 3.12Å; D94-G99 PolarHBondContact OD2-N 2.62Å; R97-G99 VanDerWaalsContact C-N 3.29Å
100	K	88.1	Confident	80.9	Confident	73 Å²	73	52.4 Å²	52.4	32%	0.317	26%	0.263	S	S	.	.	S	Bend	trans	-149.9	135.8	-180	57.2	178.2	-171.7	163.9	0	110.6	F64 D98 S102	F64-K100 HydrophobicContact CB-CB 4Å; F64-K100 HydrophobicContact CB-CD 4.13Å; F64-K100 HydrophobicContact CB-CG 4.42Å; F64-K100 HydrophobicContact CD1-CB 4.31Å; F64-K100 HydrophobicContact CD1-CD 3.51Å; F64-K100 HydrophobicContact CD1-CG 3.87Å; F64-K100 HydrophobicContact CD2-CD 4.18Å; F64-K100 HydrophobicContact CE1-CD 3.93Å; F64-K100 HydrophobicContact CE1-CG 4.5Å; F64-K100 VanDerWaalsContact CE1-NZ 3.32Å; F64-K100 HydrophobicContact CG-CB 4.38Å; F64-K100 HydrophobicContact CG-CD 3.67Å; F64-K100 HydrophobicContact CG-CG 4.27Å; F64-K100 HydrophobicContact CZ-CD 4.44Å; D98-K100 WeakPolarHBondContact OD1-CG 3.34Å; D98-K100 PolarHBondContact OD1-N 3.15Å; D98-K100 WeakPolarHBondContact OD2-CE 3.29Å; D98-K100 WeakPolarHBondContact OD2-CG 3.32Å; K100-S102 PolarHBondContact O-N 3.45Å
101	I	85.4	Confident	79.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.2	179.8	-56.8	158.7	0	0	0	108.4	F64 I65 F90 A93 E105 F106	F64-I101 WeakPolarHBondContact CA-O 3.33Å; I65-I101 HydrophobicContact CB-CB 4.18Å; I65-I101 PolarHBondContact N-O 2.72Å; I65-I101 PolarHBondContact O-N 3.25Å; F90-I101 HydrophobicContact CD2-CD1 3.89Å; F90-I101 HydrophobicContact CD2-CG1 4.28Å; F90-I101 HydrophobicContact CE2-CD1 3.81Å; F90-I101 HydrophobicContact CE2-CG1 3.84Å; F90-I101 HydrophobicContact CZ-CG1 4.1Å; A93-I101 HydrophobicContact CB-CD1 3.44Å; A93-I101 VanDerWaalsContact CB-CD1 3.44Å; A93-I101 HydrophobicContact CB-CG1 3.74Å; A93-I101 HydrophobicContact CB-CG2 4.39Å; I101-E105 WeakPolarHBondContact CA-OE2 3.47Å; I101-E105 HydrophobicContact CG2-CB 4.04Å; I101-F106 HydrophobicContact CG2-CB 4.25Å
102	S	87.6	Confident	79	Confident	10 Å²	10	55.1 Å²	55.1	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	161.8	175.4	94.2	0	0	0	0	111.8	K100 E104 E105 F106	K100-S102 PolarHBondContact O-N 3.45Å; S102-E104 WeakPolarHBondContact CB-OE2 3.35Å; S102-E104 PolarHBondContact O-N 3.32Å; S102-E104 PolarHBondContact OG-N 3.49Å; S102-E104 PolarHBondContact OG-OE2 3.05Å; S102-E105 PolarHBondContact N-OE2 3.14Å; S102-E105 PolarHBondContact O-N 3.39Å; S102-E105 PolarHBondContact OG-N 2.84Å; S102-F106 WeakPolarHBondContact O-CB 3.3Å; S102-F106 PolarHBondContact O-N 3.04Å
103	F	84.6	Confident	77.8	Confident	41 Å²	41	55.1 Å²	55.1	18%	0.18	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-36.4	173.5	-179.7	-107.7	0	0	0	112.3	I47 L50 H51 F54 C107	I47-F103 HydrophobicContact CG2-CE1 3.83Å; I47-F103 HydrophobicContact CG2-CZ 3.91Å; L50-F103 HydrophobicContact CB-CE2 3.97Å; L50-F103 HydrophobicContact CB-CZ 4.04Å; H51-F103 VanDerWaalsContact CA-CE2 3.46Å; H51-F103 HydrophobicContact CB-CE2 3.92Å; H51-F103 HydrophobicContact CB-CZ 4.01Å; F54-F103 HydrophobicContact CB-CD2 3.83Å; F54-F103 HydrophobicContact CB-CE2 4.14Å; F54-F103 HydrophobicContact CD1-CD2 4.25Å; F54-F103 HydrophobicContact CD2-CB 4.33Å; F54-F103 AromaticContact CD2-CD2 3.86Å; F54-F103 HydrophobicContact CD2-CD2 3.86Å; F54-F103 HydrophobicContact CE2-CB 4.14Å; F54-F103 HydrophobicContact CE2-CD2 4.49Å; F54-F103 AromaticContact CG-CD2 3.71Å; F54-F103 HydrophobicContact CG-CD2 3.71Å; F54-F103 HydrophobicContact CG-CE2 4.49Å; F54-F103 HydrophobicContact CZ-CB 4.24Å; F103-C107 WeakPolarHBondContact CE1-SG 3.23Å; F103-C107 WeakPolarHBondContact CZ-SG 3.37Å; F103-C107 WeakPolarHBondContact O-CB 3.46Å; F103-C107 PolarHBondContact O-N 3.35Å; F103-C107 PolarHBondContact O-SG 3.47Å
104	E	84.1	Confident	76.4	Confident	132 Å²	132	58.4 Å²	58.4	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-45.2	174.6	-60.9	87.4	-170.8	0	0	111.6	S102 C107 E108	S102-E104 WeakPolarHBondContact CB-OE2 3.35Å; S102-E104 PolarHBondContact O-N 3.32Å; S102-E104 PolarHBondContact OG-N 3.49Å; S102-E104 PolarHBondContact OG-OE2 3.05Å; E104-C107 WeakPolarHBondContact O-CB 3.38Å; E104-C107 PolarHBondContact O-N 2.99Å; E104-E108 WeakPolarHBondContact O-CG 3.36Å; E104-E108 PolarHBondContact O-N 3.49Å
105	E	84	Confident	74.4	Confident	11 Å²	11	63.5 Å²	63.5	5%	0.051	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-44.2	177.8	-67.6	176.7	137.2	0	0	111.5	L95 N96 I101 S102 C107 E108 I109	L95-E105 HydrophobicContact CB-CG 4.31Å; L95-E105 HydrophobicContact CD1-CG 4.44Å; L95-E105 HydrophobicContact CG-CG 4.43Å; L95-E105 PolarHBondContact N-OE1 3.15Å; N96-E105 WeakPolarHBondContact CB-OE1 3.48Å; N96-E105 PolarHBondContact N-OE1 3.48Å; N96-E105 PolarHBondContact ND2-OE1 3.13Å; I101-E105 WeakPolarHBondContact CA-OE2 3.47Å; I101-E105 HydrophobicContact CG2-CB 4.04Å; S102-E105 PolarHBondContact N-OE2 3.14Å; S102-E105 PolarHBondContact O-N 3.39Å; S102-E105 PolarHBondContact OG-N 2.84Å; E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.04Å; E105-E108 PolarHBondContact O-N 2.78Å; E105-E108 VanDerWaalsContact O-N 3.13Å; E105-I109 VanDerWaalsContact O-CD1 3.25Å; E105-I109 WeakPolarHBondContact O-CD1 3.28Å; E105-I109 WeakPolarHBondContact O-CG1 3.46Å; E105-I109 PolarHBondContact O-N 2.81Å
106	F	78.8	Confident	72.9	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-45.4	172.9	-175.9	-93.1	0	0	0	111.6	L50 V53 F54 F57 I65 I101 S102 A110 F193	L50-F106 HydrophobicContact CB-CE1 4.39Å; L50-F106 HydrophobicContact CD2-CD1 4.45Å; L50-F106 HydrophobicContact CD2-CE1 3.92Å; V53-F106 HydrophobicContact CB-CE1 4.29Å; V53-F106 HydrophobicContact CB-CZ 4.11Å; V53-F106 HydrophobicContact CG1-CE1 4.23Å; V53-F106 HydrophobicContact CG1-CE2 4.43Å; V53-F106 HydrophobicContact CG1-CZ 3.55Å; F54-F106 HydrophobicContact CB-CD1 4.44Å; F54-F106 HydrophobicContact CD2-CB 3.81Å; F54-F106 HydrophobicContact CD2-CD1 4.24Å; F54-F106 HydrophobicContact CD2-CD2 4.34Å; F54-F106 AromaticContact CD2-CG 3.86Å; F54-F106 HydrophobicContact CD2-CG 3.86Å; F54-F106 HydrophobicContact CE2-CB 4.14Å; F57-F106 HydrophobicContact CE2-CE2 4.39Å; I65-F106 HydrophobicContact CD1-CD2 4.08Å; I101-F106 HydrophobicContact CG2-CB 4.25Å; S102-F106 WeakPolarHBondContact O-CB 3.3Å; S102-F106 PolarHBondContact O-N 3.04Å; F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.47Å; F106-A110 PolarHBondContact O-N 2.64Å; F106-F193 HydrophobicContact CD2-CE1 4.19Å; F106-F193 AromaticContact CD2-CE2 3.82Å; F106-F193 HydrophobicContact CD2-CE2 3.82Å; F106-F193 AromaticContact CD2-CZ 3.64Å; F106-F193 HydrophobicContact CD2-CZ 3.64Å; F106-F193 HydrophobicContact CE2-CD1 4.23Å; F106-F193 HydrophobicContact CE2-CD2 4.04Å; F106-F193 AromaticContact CE2-CE1 3.96Å; F106-F193 HydrophobicContact CE2-CE1 3.96Å; F106-F193 AromaticContact CE2-CE2 3.75Å; F106-F193 HydrophobicContact CE2-CE2 3.75Å; F106-F193 HydrophobicContact CE2-CG 4.28Å; F106-F193 AromaticContact CE2-CZ 3.74Å; F106-F193 HydrophobicContact CE2-CZ 3.74Å
107	C	75.8	Confident	70.8	Confident	8 Å²	8	59.3 Å²	59.3	5%	0.054	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-41.1	176.2	-71.5	0	0	0	0	112.5	L50 F103 E104 E105 A110 K111	L50-C107 HydrophobicContact CD1-CB 4.17Å; L50-C107 VanDerWaalsContact CD1-SG 3.59Å; F103-C107 WeakPolarHBondContact CE1-SG 3.23Å; F103-C107 WeakPolarHBondContact CZ-SG 3.37Å; F103-C107 WeakPolarHBondContact O-CB 3.46Å; F103-C107 PolarHBondContact O-N 3.35Å; F103-C107 PolarHBondContact O-SG 3.47Å; E104-C107 WeakPolarHBondContact O-CB 3.38Å; E104-C107 PolarHBondContact O-N 2.99Å; E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.04Å; C107-A110 PolarHBondContact O-N 3.49Å; C107-K111 WeakPolarHBondContact O-CB 3.47Å; C107-K111 WeakPolarHBondContact O-CG 3.34Å; C107-K111 PolarHBondContact O-N 3.39Å
108	E	74.2	Confident	69.2	Low	96 Å²	96	51.8 Å²	51.8	45%	0.449	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-42.1	178.8	-71.7	-58.2	111.4	0	0	111.5	L95 E104 E105 K111 A112	L95-E108 HydrophobicContact CD1-CB 4.26Å; E104-E108 WeakPolarHBondContact O-CG 3.36Å; E104-E108 PolarHBondContact O-N 3.49Å; E105-E108 PolarHBondContact O-N 2.78Å; E105-E108 VanDerWaalsContact O-N 3.13Å; E108-K111 PolarHBondContact O-N 3.49Å; E108-K111 IonicContact OE1-NZ 2.8Å; E108-K111 PolarHBondContact OE1-NZ 3.18Å; E108-A112 WeakPolarHBondContact O-CB 3.42Å; E108-A112 PolarHBondContact O-N 3.42Å
109	I	69.2	Low	67.5	Low	17 Å²	17	52.1 Å²	52.1	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-44	174.7	-57.7	151.3	0	0	0	110.4	A93 E105 K111 A112 F193 I196	A93-I109 HydrophobicContact CB-CD1 3.36Å; E105-I109 VanDerWaalsContact O-CD1 3.25Å; E105-I109 WeakPolarHBondContact O-CD1 3.28Å; E105-I109 WeakPolarHBondContact O-CG1 3.46Å; E105-I109 PolarHBondContact O-N 2.81Å; I109-K111 PolarHBondContact O-N 3.08Å; I109-A112 PolarHBondContact O-N 3.25Å; I109-F193 HydrophobicContact CB-CE2 3.97Å; I109-F193 HydrophobicContact CD1-CE2 4.03Å; I109-F193 HydrophobicContact CD1-CZ 4.09Å; I109-F193 HydrophobicContact CG2-CD2 4.08Å; I109-F193 HydrophobicContact CG2-CE2 3.55Å; I109-F193 HydrophobicContact CG2-CZ 4.48Å; I109-I196 HydrophobicContact CG2-CG2 4.34Å
110	A	65.8	Low	65.6	Low	11 Å²	11	53 Å²	53	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-45.1	178	0	0	0	0	0	111	L50 F106 C107 A112 N113 S116	L50-A110 HydrophobicContact CD2-CB 3.59Å; F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.47Å; F106-A110 PolarHBondContact O-N 2.64Å; C107-A110 PolarHBondContact O-N 3.49Å; A110-A112 VanDerWaalsContact C-N 3.34Å; A110-A112 PolarHBondContact O-N 2.9Å; A110-N113 PolarHBondContact O-N 3.14Å; A110-S116 WeakPolarHBondContact O-CB 3.4Å; A110-S116 PolarHBondContact O-OG 2.8Å
111	K	61.6	Low	63.8	Low	136 Å²	136	51.6 Å²	51.6	59%	0.591	28%	0.277	S	S	*	.	H	α-helix	trans	-66.4	-32.6	176.1	-71.4	169.6	-162	166.1	0	113.1	C107 E108 I109 N113	C107-K111 WeakPolarHBondContact O-CB 3.47Å; C107-K111 WeakPolarHBondContact O-CG 3.34Å; C107-K111 PolarHBondContact O-N 3.39Å; E108-K111 PolarHBondContact O-N 3.49Å; E108-K111 IonicContact OE1-NZ 2.8Å; E108-K111 PolarHBondContact OE1-NZ 3.18Å; I109-K111 PolarHBondContact O-N 3.08Å; K111-N113 PolarHBondContact O-N 3.08Å
112	A	61.2	Low	62.3	Low	69 Å²	69	52.8 Å²	52.8	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-72.6	-9.3	-176.6	0	0	0	0	0	113.8	E108 I109 A110	E108-A112 WeakPolarHBondContact O-CB 3.42Å; E108-A112 PolarHBondContact O-N 3.42Å; I109-A112 PolarHBondContact O-N 3.25Å; A110-A112 VanDerWaalsContact C-N 3.34Å; A110-A112 PolarHBondContact O-N 2.9Å
113	N	51.4	Low	60.8	Low	29 Å²	29	53.5 Å²	53.5	16%	0.155	29%	0.286	C	S	.	.			trans	-104.8	115.2	173.4	-174.2	26.3	0	0	0	111.7	A110 K111 L115 S116 I196	A110-N113 PolarHBondContact O-N 3.14Å; K111-N113 PolarHBondContact O-N 3.08Å; N113-L115 PolarHBondContact O-N 3.22Å; N113-L115 VanDerWaalsContact O-N 3.11Å; N113-L115 PolarHBondContact OD1-N 3.33Å; N113-S116 PolarHBondContact O-N 3.2Å; N113-S116 VanDerWaalsContact O-N 3.12Å; N113-S116 PolarHBondContact O-OG 2.73Å; N113-I196 HydrophobicContact CB-CD1 3.65Å; N113-I196 HydrophobicContact CB-CG1 4.35Å; N113-I196 WeakPolarHBondContact ND2-CD1 3.49Å
114	P	47.7	Very low	59.5	Low	70 Å²	70	56.2 Å²	56.2	46%	0.455	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.4	177.9	23.2	-31.8	0	0	0	114.3
115	L	43.2	Very low	58.3	Low	118 Å²	118	53.7 Å²	53.7	62%	0.618	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.6	176.2	-58.9	176.7	0	0	0	113.9	N113 M117	N113-L115 PolarHBondContact O-N 3.22Å; N113-L115 VanDerWaalsContact O-N 3.11Å; N113-L115 PolarHBondContact OD1-N 3.33Å; L115-M117 PolarHBondContact O-N 3.12Å
116	S	49.4	Very low	57.4	Low	39 Å²	39	53.4 Å²	53.4	27%	0.273	30%	0.299	S	S	.	.			trans	-77.9	-6	176.6	85.6	0	0	0	0	113.3	A110 N113 S118	A110-S116 WeakPolarHBondContact O-CB 3.4Å; A110-S116 PolarHBondContact O-OG 2.8Å; N113-S116 PolarHBondContact O-N 3.2Å; N113-S116 VanDerWaalsContact O-N 3.12Å; N113-S116 PolarHBondContact O-OG 2.73Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.27Å
117	M	41.1	Very low	57	Low	68 Å²	68	54.6 Å²	54.6	34%	0.335	31%	0.306	S	S	.	.	S	Bend	trans	-63.8	100.9	166.2	-71.8	-116.3	-78.8	0	0	106.4	N45 L115 L119 T121 V122	N45-M117 PolarHBondContact ND2-SD 3.45Å; N45-M117 VanDerWaalsContact ND2-SD 3.37Å; L115-M117 PolarHBondContact O-N 3.12Å; M117-L119 PolarHBondContact O-N 2.77Å; M117-T121 HydrophobicContact CE-CG2 4.2Å; M117-T121 HydrophobicContact SD-CG2 3.89Å; M117-V122 HydrophobicContact CB-CG2 4.14Å; M117-V122 WeakPolarHBondContact O-CG2 3.39Å
118	S	50.1	Low	56.6	Low	30 Å²	30	59.3 Å²	59.3	21%	0.21	32%	0.322	C	S	.	.			trans	-30.8	129.2	178.6	-95.6	0	0	0	0	109.2	S116 K120 T121 V122	S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.27Å; S118-K120 CarbonylContact O-C 3.57Å; S118-K120 PolarHBondContact O-N 2.84Å; S118-T121 WeakPolarHBondContact O-CA 3.34Å; S118-T121 WeakPolarHBondContact O-CB 3.4Å; S118-T121 PolarHBondContact O-N 3.36Å; S118-V122 PolarHBondContact O-N 3.5Å
119	L	48.6	Very low	56.5	Low	84 Å²	84	59.7 Å²	59.7	44%	0.44	33%	0.327	S	S	.	.	H	α-helix	trans	-39.9	-36.5	175.6	-97.6	172.7	0	0	0	110.5	M117 V122 F123	M117-L119 PolarHBondContact O-N 2.77Å; L119-V122 CarbonylContact O-C 3.48Å; L119-V122 WeakPolarHBondContact O-CA 3.34Å; L119-V122 WeakPolarHBondContact O-CB 3.33Å; L119-V122 PolarHBondContact O-N 3.4Å; L119-F123 HydrophobicContact CB-CD2 4.05Å; L119-F123 HydrophobicContact CB-CE2 3.83Å; L119-F123 HydrophobicContact CD2-CE2 3.95Å; L119-F123 HydrophobicContact CG-CE2 4.34Å; L119-F123 WeakPolarHBondContact O-CB 2.98Å; L119-F123 WeakPolarHBondContact O-CD2 3.19Å; L119-F123 WeakPolarHBondContact O-CG 3.4Å; L119-F123 PolarHBondContact O-N 2.83Å
120	K	45.6	Very low	56.4	Low	64 Å²	64	61.6 Å²	61.6	28%	0.278	35%	0.351	S	S	.	.	H	α-helix	trans	-59	-39.8	173.4	-160.8	174.2	174.4	-169.9	0	116.2	F42 N43 S118 F123 C124 F172	F42-K120 PolarHBondContact O-NZ 3.47Å; N43-K120 PolarHBondContact OD1-NZ 2.93Å; S118-K120 CarbonylContact O-C 3.57Å; S118-K120 PolarHBondContact O-N 2.84Å; K120-F123 WeakPolarHBondContact O-CB 3.29Å; K120-F123 PolarHBondContact O-N 3.29Å; K120-C124 PolarHBondContact O-N 3.14Å; K120-C124 PolarHBondContact O-SG 3.29Å; K120-C124 VanDerWaalsContact O-SG 3.37Å; K120-F172 HydrophobicContact CD-CZ 4.19Å; K120-F172 HydrophobicContact CG-CZ 4.38Å
121	T	49.6	Very low	56.8	Low	44 Å²	44	64.1 Å²	64.1	27%	0.27	36%	0.363	S	S	.	.	H	α-helix	trans	-67.4	-41.3	171.2	-54.4	0	0	0	0	110.6	M117 S118 F123 C124 D125	M117-T121 HydrophobicContact CE-CG2 4.2Å; M117-T121 HydrophobicContact SD-CG2 3.89Å; S118-T121 WeakPolarHBondContact O-CA 3.34Å; S118-T121 WeakPolarHBondContact O-CB 3.4Å; S118-T121 PolarHBondContact O-N 3.36Å; T121-F123 VanDerWaalsContact C-N 3.27Å; T121-F123 PolarHBondContact O-N 3.19Å; T121-C124 PolarHBondContact O-N 2.84Å; T121-D125 PolarHBondContact O-N 3.42Å
122	V	53.8	Low	57	Low	25 Å²	25	59.3 Å²	59.3	15%	0.152	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-36.6	172.8	174.6	0	0	0	0	110	M117 S118 L119 D125 M126	M117-V122 HydrophobicContact CB-CG2 4.14Å; M117-V122 WeakPolarHBondContact O-CG2 3.39Å; S118-V122 PolarHBondContact O-N 3.5Å; L119-V122 CarbonylContact O-C 3.48Å; L119-V122 WeakPolarHBondContact O-CA 3.34Å; L119-V122 WeakPolarHBondContact O-CB 3.33Å; L119-V122 PolarHBondContact O-N 3.4Å; V122-D125 PolarHBondContact O-N 3.13Å; V122-M126 HydrophobicContact CG1-CE 3.2Å; V122-M126 HydrophobicContact CG1-CG 4.23Å; V122-M126 HydrophobicContact CG1-SD 3.28Å; V122-M126 WeakPolarHBondContact CG1-SD 3.34Å; V122-M126 WeakPolarHBondContact O-CB 3.37Å; V122-M126 WeakPolarHBondContact O-CG 3.19Å; V122-M126 PolarHBondContact O-N 2.94Å
123	F	57	Low	57.3	Low	25 Å²	25	60.2 Å²	60.2	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-45.4	172.9	-79.9	-83	0	0	0	111.7	L119 K120 T121 D125 M126 D127 I134 I170	L119-F123 HydrophobicContact CB-CD2 4.05Å; L119-F123 HydrophobicContact CB-CE2 3.83Å; L119-F123 HydrophobicContact CD2-CE2 3.95Å; L119-F123 HydrophobicContact CG-CE2 4.34Å; L119-F123 WeakPolarHBondContact O-CB 2.98Å; L119-F123 WeakPolarHBondContact O-CD2 3.19Å; L119-F123 WeakPolarHBondContact O-CG 3.4Å; L119-F123 PolarHBondContact O-N 2.83Å; K120-F123 WeakPolarHBondContact O-CB 3.29Å; K120-F123 PolarHBondContact O-N 3.29Å; T121-F123 VanDerWaalsContact C-N 3.27Å; T121-F123 PolarHBondContact O-N 3.19Å; F123-D125 VanDerWaalsContact C-N 3.34Å; F123-D125 PolarHBondContact O-N 2.88Å; F123-M126 PolarHBondContact O-N 3.35Å; F123-D127 WeakPolarHBondContact O-CB 3.34Å; F123-D127 PolarHBondContact O-N 3.13Å; F123-I134 HydrophobicContact CB-CD1 4.18Å; F123-I134 HydrophobicContact CD1-CB 4.35Å; F123-I134 HydrophobicContact CD1-CD1 2.99Å; F123-I134 HydrophobicContact CD1-CG1 3.34Å; F123-I134 HydrophobicContact CD2-CD1 4.49Å; F123-I134 HydrophobicContact CE1-CB 4.16Å; F123-I134 HydrophobicContact CE1-CD1 3.1Å; F123-I134 HydrophobicContact CE1-CG1 3.6Å; F123-I134 HydrophobicContact CG-CD1 3.65Å; F123-I134 HydrophobicContact CG-CG1 4.29Å; F123-I134 HydrophobicContact CZ-CD1 3.91Å; F123-I170 HydrophobicContact CE1-CB 3.99Å; F123-I170 HydrophobicContact CE1-CD1 4.39Å; F123-I170 HydrophobicContact CE1-CG2 3.35Å; F123-I170 HydrophobicContact CZ-CB 4.44Å; F123-I170 HydrophobicContact CZ-CD1 4.36Å; F123-I170 HydrophobicContact CZ-CG2 3.54Å
124	C	57.8	Low	58.1	Low	99 Å²	99	59 Å²	59	67%	0.669	34%	0.335	S	S	*	.	H	α-helix	trans	-70.3	-28.5	177.8	-66	0	0	0	0	114.1	K120 T121	K120-C124 PolarHBondContact O-N 3.14Å; K120-C124 PolarHBondContact O-SG 3.29Å; K120-C124 VanDerWaalsContact O-SG 3.37Å; T121-C124 PolarHBondContact O-N 2.84Å
125	D	59.3	Low	59.3	Low	79 Å²	79	57.1 Å²	57.1	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-83	-21.3	175.8	-141.1	48.7	0	0	0	111.8	T121 V122 F123 S142	T121-D125 PolarHBondContact O-N 3.42Å; V122-D125 PolarHBondContact O-N 3.13Å; F123-D125 VanDerWaalsContact C-N 3.34Å; F123-D125 PolarHBondContact O-N 2.88Å; D125-S142 PolarHBondContact O-OG 2.86Å
126	M	64.7	Low	60.7	Low	5 Å²	5	56.8 Å²	56.8	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-87	-51.2	176.9	-77.1	173.1	-179.7	0	0	114.2	V122 F123 R128 I134 E138 M139 S142 L143 M146	V122-M126 HydrophobicContact CG1-CE 3.2Å; V122-M126 HydrophobicContact CG1-CG 4.23Å; V122-M126 HydrophobicContact CG1-SD 3.28Å; V122-M126 WeakPolarHBondContact CG1-SD 3.34Å; V122-M126 WeakPolarHBondContact O-CB 3.37Å; V122-M126 WeakPolarHBondContact O-CG 3.19Å; V122-M126 PolarHBondContact O-N 2.94Å; F123-M126 PolarHBondContact O-N 3.35Å; M126-R128 VanDerWaalsContact C-N 3.29Å; M126-R128 PolarHBondContact O-N 3.18Å; M126-I134 HydrophobicContact CB-CD1 3.52Å; M126-I134 HydrophobicContact CB-CG1 3.76Å; M126-I134 HydrophobicContact CB-CG2 4.27Å; M126-I134 HydrophobicContact CG-CD1 4.15Å; M126-I134 HydrophobicContact SD-CD1 3.67Å; M126-E138 WeakPolarHBondContact O-CB 3.31Å; M126-E138 VanDerWaalsContact O-CG 3.25Å; M126-E138 WeakPolarHBondContact O-CG 3.37Å; M126-M139 HydrophobicContact CE-CG 3.98Å; M126-M139 HydrophobicContact SD-CB 4.24Å; M126-M139 HydrophobicContact SD-CG 3.86Å; M126-S142 WeakPolarHBondContact CA-OG 3.48Å; M126-L143 HydrophobicContact CE-CD1 4.05Å; M126-L143 HydrophobicContact CE-CD2 4.07Å; M126-L143 HydrophobicContact CE-CG 3.61Å; M126-M146 HydrophobicContact CE-CE 3.98Å
127	D	70.3	Confident	61.7	Low	31 Å²	31	60.8 Å²	60.8	17%	0.166	33%	0.327	C	S	.	.			trans	-70.3	81.5	177.8	178.2	7	0	0	0	109.3	F123 D129 G130 D131 G132 I134	F123-D127 WeakPolarHBondContact O-CB 3.34Å; F123-D127 PolarHBondContact O-N 3.13Å; D127-D129 VanDerWaalsContact OD1-OD1 3.08Å; D127-G130 WeakPolarHBondContact OD1-CA 3.34Å; D127-G130 PolarHBondContact OD1-N 2.89Å; D127-D131 PolarHBondContact OD1-N 3.24Å; D127-G132 WeakPolarHBondContact OD2-CA 3.46Å; D127-G132 PolarHBondContact OD2-N 3.43Å; D127-I134 HydrophobicContact CB-CG1 4.5Å
128	R	66	Low	63.2	Low	107 Å²	107	58.4 Å²	58.4	40%	0.404	32%	0.315	S	S	.	.	S	Bend	trans	-81.7	-29.1	-173	-74.5	-163.9	-162.2	154.3	17.6	112.1	M126 G130 E138 E141 R145	M126-R128 VanDerWaalsContact C-N 3.29Å; M126-R128 PolarHBondContact O-N 3.18Å; R128-G130 VanDerWaalsContact C-N 3.25Å; R128-E138 PolarHBondContact N-OE1 2.99Å; R128-E141 IonicContact CZ-OE2 3.02Å; R128-E141 IonicContact NH1-OE2 2.62Å; R128-E141 PolarHBondContact NH1-OE2 2.6Å; R128-E141 IonicContact NH2-OE2 2.86Å; R128-E141 PolarHBondContact NH2-OE2 3.12Å; R128-R145 VanDerWaalsContact CZ-CZ 3.43Å; R128-R145 VanDerWaalsContact NH2-NH1 3.15Å
129	D	72.8	Confident	64.1	Low	103 Å²	103	57.3 Å²	57.3	55%	0.551	31%	0.307	S	S	*	.	S	Bend	trans	-81.7	-12.5	175.9	68.8	9.2	0	0	0	112	D127 D131 E138	D127-D129 VanDerWaalsContact OD1-OD1 3.08Å; D129-D131 PolarHBondContact O-N 3.49Å; D129-D131 WeakPolarHBondContact OD1-CB 3.49Å; D129-D131 PolarHBondContact OD1-N 3.24Å; D129-E138 PolarHBondContact N-OE1 3.11Å
130	G	67.5	Low	65.1	Low	58 Å²	58	57.7 Å²	57.7	60%	0.598	31%	0.305	S	S	*	.			trans	68.7	25.2	177.8	0	0	0	0	0	111.4	D127 R128 G132	D127-G130 WeakPolarHBondContact OD1-CA 3.34Å; D127-G130 PolarHBondContact OD1-N 2.89Å; R128-G130 VanDerWaalsContact C-N 3.25Å; G130-G132 PolarHBondContact O-N 3.28Å
131	D	73.8	Confident	66.3	Low	63 Å²	63	59.2 Å²	59.2	34%	0.337	31%	0.313	S	S	.	.	S	Bend	trans	-78.1	-7.2	-178.6	86.6	-11.2	0	0	0	112.5	D127 D129 Y133	D127-D131 PolarHBondContact OD1-N 3.24Å; D129-D131 PolarHBondContact O-N 3.49Å; D129-D131 WeakPolarHBondContact OD1-CB 3.49Å; D129-D131 PolarHBondContact OD1-N 3.24Å; D131-Y133 VanDerWaalsContact C-N 3.32Å; D131-Y133 HydrophobicContact CB-CD2 4.48Å; D131-Y133 WeakPolarHBondContact O-CD2 3.41Å; D131-Y133 VanDerWaalsContact OD1-CA 3.32Å; D131-Y133 WeakPolarHBondContact OD1-CA 3.13Å; D131-Y133 VanDerWaalsContact OD1-CB 3.22Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.33Å; D131-Y133 WeakPolarHBondContact OD1-CD2 3.41Å; D131-Y133 PolarHBondContact OD1-N 3.21Å
132	G	65.8	Low	67.2	Low	35 Å²	35	57.1 Å²	57.1	36%	0.361	30%	0.3	S	S	.	.	S	Bend	trans	85	6.3	-179.5	0	0	0	0	0	113.5	D127 G130	D127-G132 WeakPolarHBondContact OD2-CA 3.46Å; D127-G132 PolarHBondContact OD2-N 3.43Å; G130-G132 PolarHBondContact O-N 3.28Å
133	Y	68.8	Low	67.6	Low	89 Å²	89	57 Å²	57	35%	0.349	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.5	175.5	-55.8	-88.9	0	0	0	109.9	D131 K169 I170 D171	D131-Y133 VanDerWaalsContact C-N 3.32Å; D131-Y133 HydrophobicContact CB-CD2 4.48Å; D131-Y133 WeakPolarHBondContact O-CD2 3.41Å; D131-Y133 VanDerWaalsContact OD1-CA 3.32Å; D131-Y133 WeakPolarHBondContact OD1-CA 3.13Å; D131-Y133 VanDerWaalsContact OD1-CB 3.22Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.33Å; D131-Y133 WeakPolarHBondContact OD1-CD2 3.41Å; D131-Y133 PolarHBondContact OD1-N 3.21Å; Y133-K169 HydrophobicContact CD1-CB 3.85Å; Y133-K169 HydrophobicContact CD1-CD 4.18Å; Y133-K169 HydrophobicContact CG-CB 4.35Å; Y133-K169 HydrophobicContact CG-CD 4.24Å; Y133-I170 WeakPolarHBondContact CA-O 3.46Å; Y133-D171 HydrophobicContact CD1-CB 4.15Å; Y133-D171 HydrophobicContact CE1-CB 3.74Å
134	I	67.9	Low	68.1	Low	2 Å²	2	63 Å²	63	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.9	161.4	-67.9	178.1	0	0	0	107.7	F123 M126 D127 E138 M139 Y159 I170	F123-I134 HydrophobicContact CB-CD1 4.18Å; F123-I134 HydrophobicContact CD1-CB 4.35Å; F123-I134 HydrophobicContact CD1-CD1 2.99Å; F123-I134 HydrophobicContact CD1-CG1 3.34Å; F123-I134 HydrophobicContact CD2-CD1 4.49Å; F123-I134 HydrophobicContact CE1-CB 4.16Å; F123-I134 HydrophobicContact CE1-CD1 3.1Å; F123-I134 HydrophobicContact CE1-CG1 3.6Å; F123-I134 HydrophobicContact CG-CD1 3.65Å; F123-I134 HydrophobicContact CG-CG1 4.29Å; F123-I134 HydrophobicContact CZ-CD1 3.91Å; M126-I134 HydrophobicContact CB-CD1 3.52Å; M126-I134 HydrophobicContact CB-CG1 3.76Å; M126-I134 HydrophobicContact CB-CG2 4.27Å; M126-I134 HydrophobicContact CG-CD1 4.15Å; M126-I134 HydrophobicContact SD-CD1 3.67Å; D127-I134 HydrophobicContact CB-CG1 4.5Å; I134-E138 HydrophobicContact CG2-CB 4.1Å; I134-M139 HydrophobicContact CG2-CB 3.7Å; I134-Y159 PolarHBondContact O-OH 3.48Å; I134-Y159 VanDerWaalsContact O-OH 3.08Å; I134-I170 PolarHBondContact O-N 3.39Å
135	T	71.8	Confident	68.4	Low	32 Å²	32	65.5 Å²	65.5	20%	0.196	32%	0.32	C	S	.	.			trans	-82.4	164.9	166.2	61.3	0	0	0	0	112	E137 E138 M139 Y159	T135-E137 PolarHBondContact O-N 3.32Å; T135-E138 WeakPolarHBondContact CB-OE2 3.04Å; T135-E138 WeakPolarHBondContact CG2-OE2 3.18Å; T135-E138 PolarHBondContact N-OE2 3.02Å; T135-E138 PolarHBondContact O-N 3.39Å; T135-E138 WeakPolarHBondContact OG1-CB 3.47Å; T135-E138 VanDerWaalsContact OG1-CG 3.22Å; T135-E138 WeakPolarHBondContact OG1-CG 3.4Å; T135-E138 PolarHBondContact OG1-N 3.44Å; T135-E138 PolarHBondContact OG1-OE2 3.35Å; T135-M139 PolarHBondContact O-N 2.88Å; T135-Y159 PolarHBondContact O-OH 3.41Å
136	R	72.1	Confident	68.2	Low	110 Å²	110	64.6 Å²	64.6	42%	0.415	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-40.1	-179.6	178.6	-178.1	-75.7	-159.4	-8.9	110.4	F140 L155 N156 Y159	R136-F140 WeakPolarHBondContact O-CB 3.46Å; R136-F140 PolarHBondContact O-N 2.77Å; R136-L155 HydrophobicContact CG-CD2 3.6Å; R136-N156 PolarHBondContact NH2-OD1 2.92Å; R136-Y159 VanDerWaalsContact CA-OH 3.29Å; R136-Y159 WeakPolarHBondContact CA-OH 3.49Å; R136-Y159 HydrophobicContact CB-CE2 4.32Å; R136-Y159 PolarHBondContact N-OH 2.94Å
137	E	71.9	Confident	67.9	Low	124 Å²	124	67.7 Å²	67.7	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-46.2	178.4	-66.8	68.5	-150.2	0	0	110.6	T135 M139 F140 E141	T135-E137 PolarHBondContact O-N 3.32Å; E137-M139 PolarHBondContact O-N 3.42Å; E137-F140 PolarHBondContact O-N 3.28Å; E137-E141 WeakPolarHBondContact O-CB 3.33Å; E137-E141 WeakPolarHBondContact O-CG 3.14Å; E137-E141 PolarHBondContact O-N 3.28Å
138	E	72.1	Confident	67.4	Low	17 Å²	17	70 Å²	70	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-42.6	177.9	-82	173.6	135.5	0	0	113.3	M126 R128 D129 I134 T135 S142	M126-E138 WeakPolarHBondContact O-CB 3.31Å; M126-E138 VanDerWaalsContact O-CG 3.25Å; M126-E138 WeakPolarHBondContact O-CG 3.37Å; R128-E138 PolarHBondContact N-OE1 2.99Å; D129-E138 PolarHBondContact N-OE1 3.11Å; I134-E138 HydrophobicContact CG2-CB 4.1Å; T135-E138 WeakPolarHBondContact CB-OE2 3.04Å; T135-E138 WeakPolarHBondContact CG2-OE2 3.18Å; T135-E138 PolarHBondContact N-OE2 3.02Å; T135-E138 PolarHBondContact O-N 3.39Å; T135-E138 WeakPolarHBondContact OG1-CB 3.47Å; T135-E138 VanDerWaalsContact OG1-CG 3.22Å; T135-E138 WeakPolarHBondContact OG1-CG 3.4Å; T135-E138 PolarHBondContact OG1-N 3.44Å; T135-E138 PolarHBondContact OG1-OE2 3.35Å; E138-S142 VanDerWaalsContact O-CB 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.24Å; E138-S142 PolarHBondContact O-N 3.36Å; E138-S142 VanDerWaalsContact O-N 3.14Å; E138-S142 PolarHBondContact O-OG 3.03Å
139	M	68.5	Low	66.9	Low	8 Å²	8	70.6 Å²	70.6	4%	0.039	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-48.1	175.1	-166.5	152.1	88.9	0	0	111.1	M126 I134 T135 E137 S142 L143 L155 I158 Y159	M126-M139 HydrophobicContact CE-CG 3.98Å; M126-M139 HydrophobicContact SD-CB 4.24Å; M126-M139 HydrophobicContact SD-CG 3.86Å; I134-M139 HydrophobicContact CG2-CB 3.7Å; T135-M139 PolarHBondContact O-N 2.88Å; E137-M139 PolarHBondContact O-N 3.42Å; M139-S142 PolarHBondContact O-N 3.12Å; M139-L143 HydrophobicContact CG-CD1 3.86Å; M139-L143 WeakPolarHBondContact O-CB 3.28Å; M139-L143 WeakPolarHBondContact O-CD1 3.31Å; M139-L143 WeakPolarHBondContact O-CG 3.24Å; M139-L143 PolarHBondContact O-N 3.01Å; M139-L155 HydrophobicContact CB-CD1 4.23Å; M139-L155 HydrophobicContact CE-CB 4.46Å; M139-L155 HydrophobicContact CE-CD1 3.21Å; M139-L155 HydrophobicContact CE-CG 3.64Å; M139-L155 HydrophobicContact CG-CD1 3.89Å; M139-L155 HydrophobicContact SD-CD1 4.36Å; M139-I158 HydrophobicContact CE-CB 3.84Å; M139-I158 HydrophobicContact CE-CD1 4.12Å; M139-I158 HydrophobicContact CE-CG2 3.71Å; M139-I158 HydrophobicContact SD-CG2 3.91Å; M139-Y159 HydrophobicContact CE-CD2 3.56Å; M139-Y159 HydrophobicContact CE-CE2 3.46Å; M139-Y159 VanDerWaalsContact CE-CE2 3.46Å; M139-Y159 HydrophobicContact SD-CE2 4.28Å
140	F	69.8	Low	66.5	Low	92 Å²	92	67 Å²	67	40%	0.404	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-45.5	-177.9	-176.9	-97.9	0	0	0	112.2	R136 E137 S142 K144 I150	R136-F140 WeakPolarHBondContact O-CB 3.46Å; R136-F140 PolarHBondContact O-N 2.77Å; E137-F140 PolarHBondContact O-N 3.28Å; F140-S142 VanDerWaalsContact C-N 3.28Å; F140-S142 PolarHBondContact O-N 3.42Å; F140-K144 HydrophobicContact CE1-CD 4.17Å; F140-K144 VanDerWaalsContact O-CB 3.24Å; F140-K144 WeakPolarHBondContact O-CB 3.37Å; F140-K144 PolarHBondContact O-N 2.94Å; F140-I150 HydrophobicContact CD2-CG2 4.29Å
141	E	72	Confident	66.5	Low	95 Å²	95	66.5 Å²	66.5	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-32.4	-178.4	-71.3	-159.5	169.5	0	0	112.6	R128 E137 R145	R128-E141 IonicContact CZ-OE2 3.02Å; R128-E141 IonicContact NH1-OE2 2.62Å; R128-E141 PolarHBondContact NH1-OE2 2.6Å; R128-E141 IonicContact NH2-OE2 2.86Å; R128-E141 PolarHBondContact NH2-OE2 3.12Å; E137-E141 WeakPolarHBondContact O-CB 3.33Å; E137-E141 WeakPolarHBondContact O-CG 3.14Å; E137-E141 PolarHBondContact O-N 3.28Å; E141-R145 WeakPolarHBondContact O-CB 3.46Å; E141-R145 PolarHBondContact O-N 2.66Å
142	S	66.9	Low	66.5	Low	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-78.7	-37.8	-178.7	-52.4	0	0	0	0	111.3	D125 M126 E138 M139 F140 K144 R145 M146	D125-S142 PolarHBondContact O-OG 2.86Å; M126-S142 WeakPolarHBondContact CA-OG 3.48Å; E138-S142 VanDerWaalsContact O-CB 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.24Å; E138-S142 PolarHBondContact O-N 3.36Å; E138-S142 VanDerWaalsContact O-N 3.14Å; E138-S142 PolarHBondContact O-OG 3.03Å; M139-S142 PolarHBondContact O-N 3.12Å; F140-S142 VanDerWaalsContact C-N 3.28Å; F140-S142 PolarHBondContact O-N 3.42Å; S142-K144 VanDerWaalsContact C-N 3.32Å; S142-K144 PolarHBondContact O-N 3.26Å; S142-R145 PolarHBondContact O-N 3.46Å; S142-M146 WeakPolarHBondContact O-CB 3.41Å; S142-M146 VanDerWaalsContact O-CG 3.31Å; S142-M146 WeakPolarHBondContact O-CG 3.21Å; S142-M146 PolarHBondContact O-N 2.96Å
143	L	63.2	Low	66.6	Low	24 Å²	24	73 Å²	73	13%	0.126	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-41.6	170.1	-72.9	162.2	0	0	0	111.3	M126 M139 R145 M146 G147 H148 I150	M126-L143 HydrophobicContact CE-CD1 4.05Å; M126-L143 HydrophobicContact CE-CD2 4.07Å; M126-L143 HydrophobicContact CE-CG 3.61Å; M139-L143 HydrophobicContact CG-CD1 3.86Å; M139-L143 WeakPolarHBondContact O-CB 3.28Å; M139-L143 WeakPolarHBondContact O-CD1 3.31Å; M139-L143 WeakPolarHBondContact O-CG 3.24Å; M139-L143 PolarHBondContact O-N 3.01Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 2.92Å; L143-M146 HydrophobicContact CD2-CE 3.94Å; L143-M146 HydrophobicContact CG-CE 4.39Å; L143-M146 CarbonylContact O-C 2.98Å; L143-M146 PolarHBondContact O-N 3.21Å; L143-G147 PolarHBondContact O-N 2.88Å; L143-H148 CarbonylContact C-O 3.54Å; L143-H148 VanDerWaalsContact C-O 3.23Å; L143-H148 HydrophobicContact CD2-CB 4.22Å; L143-H148 PolarHBondContact O-N 3.01Å; L143-I150 HydrophobicContact CB-CG2 4.15Å; L143-I150 HydrophobicContact CD1-CB 3.87Å; L143-I150 HydrophobicContact CD1-CD1 3.61Å; L143-I150 HydrophobicContact CD1-CG1 4.33Å; L143-I150 HydrophobicContact CD1-CG2 3.58Å; L143-I150 HydrophobicContact CG-CG2 4.46Å
144	K	67.5	Low	66	Low	149 Å²	149	73.6 Å²	73.6	65%	0.648	38%	0.378	S	S	*	.	H	α-helix	trans	-62.3	-39.3	174	-170.8	176.7	-177.7	-179.4	0	112.3	F140 S142 G147	F140-K144 HydrophobicContact CE1-CD 4.17Å; F140-K144 VanDerWaalsContact O-CB 3.24Å; F140-K144 WeakPolarHBondContact O-CB 3.37Å; F140-K144 PolarHBondContact O-N 2.94Å; S142-K144 VanDerWaalsContact C-N 3.32Å; S142-K144 PolarHBondContact O-N 3.26Å; K144-G147 PolarHBondContact O-N 3.2Å
145	R	64.7	Low	65.9	Low	152 Å²	152	73.6 Å²	73.6	57%	0.574	38%	0.378	S	S	*	.	H	α-helix	trans	-68	-36.7	176.2	-176.8	178.6	-70.9	145.6	-2.9	112.1	R128 E141 S142 L143 G147	R128-R145 VanDerWaalsContact CZ-CZ 3.43Å; R128-R145 VanDerWaalsContact NH2-NH1 3.15Å; E141-R145 WeakPolarHBondContact O-CB 3.46Å; E141-R145 PolarHBondContact O-N 2.66Å; S142-R145 PolarHBondContact O-N 3.46Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 2.92Å; R145-G147 PolarHBondContact O-N 3.34Å
146	M	53.7	Low	65.6	Low	61 Å²	61	74.6 Å²	74.6	30%	0.3	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	3.3	175.6	-67.8	-172.7	-72.1	0	0	113.4	M126 S142 L143 H148	M126-M146 HydrophobicContact CE-CE 3.98Å; S142-M146 WeakPolarHBondContact O-CB 3.41Å; S142-M146 VanDerWaalsContact O-CG 3.31Å; S142-M146 WeakPolarHBondContact O-CG 3.21Å; S142-M146 PolarHBondContact O-N 2.96Å; L143-M146 HydrophobicContact CD2-CE 3.94Å; L143-M146 HydrophobicContact CG-CE 4.39Å; L143-M146 CarbonylContact O-C 2.98Å; L143-M146 PolarHBondContact O-N 3.21Å; M146-H148 PolarHBondContact O-N 3.23Å
147	G	59.3	Low	65.2	Low	70 Å²	70	71.8 Å²	71.8	72%	0.722	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	10.5	179.8	0	0	0	0	0	113.9	L143 K144 R145	L143-G147 PolarHBondContact O-N 2.88Å; K144-G147 PolarHBondContact O-N 3.2Å; R145-G147 PolarHBondContact O-N 3.34Å
148	H	59	Low	64.6	Low	80 Å²	80	68.7 Å²	68.7	37%	0.37	37%	0.369	S	S	.	.			trans	-95.1	121.9	177.1	-69.8	-68.4	0	0	0	110.5	L143 M146 I150	L143-H148 CarbonylContact C-O 3.54Å; L143-H148 VanDerWaalsContact C-O 3.23Å; L143-H148 HydrophobicContact CD2-CB 4.22Å; L143-H148 PolarHBondContact O-N 3.01Å; M146-H148 PolarHBondContact O-N 3.23Å; H148-I150 PolarHBondContact O-N 2.72Å
149	S	55.4	Low	64.1	Low	118 Å²	118	68.5 Å²	68.5	83%	0.825	37%	0.368	S	S	*	.			trans	-86.4	97.1	169.1	55.7	0	0	0	0	109
150	I	64.4	Low	63.8	Low	29 Å²	29	78.2 Å²	78.2	15%	0.149	40%	0.404	C	S	.	.			trans	-82.3	134.3	167.8	-166.2	163.4	0	0	0	109.6	F140 L143 H148 E154 L155 I158	F140-I150 HydrophobicContact CD2-CG2 4.29Å; L143-I150 HydrophobicContact CB-CG2 4.15Å; L143-I150 HydrophobicContact CD1-CB 3.87Å; L143-I150 HydrophobicContact CD1-CD1 3.61Å; L143-I150 HydrophobicContact CD1-CG1 4.33Å; L143-I150 HydrophobicContact CD1-CG2 3.58Å; L143-I150 HydrophobicContact CG-CG2 4.46Å; H148-I150 PolarHBondContact O-N 2.72Å; I150-E154 HydrophobicContact CD1-CB 3.93Å; I150-E154 HydrophobicContact CG1-CB 3.49Å; I150-E154 VanDerWaalsContact CG1-CB 3.49Å; I150-L155 HydrophobicContact CD1-CB 4.37Å; I150-L155 HydrophobicContact CD1-CD1 4.09Å; I150-L155 HydrophobicContact CG1-CB 4.48Å; I150-L155 HydrophobicContact CG2-CD1 3.93Å; I150-I158 HydrophobicContact CD1-CD1 3.49Å; I150-I158 VanDerWaalsContact CD1-CD1 3.49Å
151	S	68.6	Low	63.3	Low	47 Å²	47	79 Å²	79	33%	0.329	42%	0.416	S	S	.	.			trans	-76.1	156.8	171.5	65	0	0	0	0	111	D153 E154 L155	S151-D153 PolarHBondContact O-N 3.23Å; S151-E154 WeakPolarHBondContact CB-OE2 3.34Å; S151-E154 PolarHBondContact N-OE2 3.43Å; S151-E154 PolarHBondContact O-N 3.24Å; S151-E154 WeakPolarHBondContact OG-CB 3.21Å; S151-E154 VanDerWaalsContact OG-CG 3.27Å; S151-E154 WeakPolarHBondContact OG-CG 3.5Å; S151-E154 PolarHBondContact OG-N 2.9Å; S151-E154 PolarHBondContact OG-OE2 2.95Å; S151-L155 WeakPolarHBondContact O-CB 3.47Å; S151-L155 PolarHBondContact O-N 2.93Å
152	N	72.1	Confident	62.7	Low	105 Å²	105	76.6 Å²	76.6	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-58.5	-30.3	173.6	-78.4	-69.2	0	0	0	112	N156	N152-N156 VanDerWaalsContact O-CB 3.29Å; N152-N156 WeakPolarHBondContact O-CB 3.47Å; N152-N156 PolarHBondContact O-N 3.13Å; N152-N156 PolarHBondContact O-ND2 3.09Å
153	D	69.6	Low	62.6	Low	128 Å²	128	77.5 Å²	77.5	68%	0.684	41%	0.413	S	S	*	.	H	α-helix	trans	-68.8	-45.1	177.4	-65.2	-59.3	0	0	0	112.1	S151 N156 A157	S151-D153 PolarHBondContact O-N 3.23Å; D153-N156 PolarHBondContact O-N 2.85Å; D153-A157 WeakPolarHBondContact O-CB 3.29Å; D153-A157 PolarHBondContact O-N 2.89Å
154	E	55.6	Low	62.5	Low	103 Å²	103	82.9 Å²	82.9	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-64.8	-40.9	174.4	-72.1	164.2	128	0	0	111.4	I150 S151 N156 A157 I158	I150-E154 HydrophobicContact CD1-CB 3.93Å; I150-E154 HydrophobicContact CG1-CB 3.49Å; I150-E154 VanDerWaalsContact CG1-CB 3.49Å; S151-E154 WeakPolarHBondContact CB-OE2 3.34Å; S151-E154 PolarHBondContact N-OE2 3.43Å; S151-E154 PolarHBondContact O-N 3.24Å; S151-E154 WeakPolarHBondContact OG-CB 3.21Å; S151-E154 VanDerWaalsContact OG-CG 3.27Å; S151-E154 WeakPolarHBondContact OG-CG 3.5Å; S151-E154 PolarHBondContact OG-N 2.9Å; S151-E154 PolarHBondContact OG-OE2 2.95Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact O-N 3.18Å; E154-A157 WeakPolarHBondContact O-CB 3.45Å; E154-A157 PolarHBondContact O-N 2.88Å; E154-I158 WeakPolarHBondContact O-CG1 3.47Å; E154-I158 PolarHBondContact O-N 3.25Å
155	L	65.5	Low	62.5	Low	2 Å²	2	80.2 Å²	80.2	1%	0.01	43%	0.434	C	S	.	.	H	α-helix	trans	-59.9	-45.9	175	-160.5	81.7	0	0	0	110.9	R136 M139 I150 S151 A157 I158 Y159	R136-L155 HydrophobicContact CG-CD2 3.6Å; M139-L155 HydrophobicContact CB-CD1 4.23Å; M139-L155 HydrophobicContact CE-CB 4.46Å; M139-L155 HydrophobicContact CE-CD1 3.21Å; M139-L155 HydrophobicContact CE-CG 3.64Å; M139-L155 HydrophobicContact CG-CD1 3.89Å; M139-L155 HydrophobicContact SD-CD1 4.36Å; I150-L155 HydrophobicContact CD1-CB 4.37Å; I150-L155 HydrophobicContact CD1-CD1 4.09Å; I150-L155 HydrophobicContact CG1-CB 4.48Å; I150-L155 HydrophobicContact CG2-CD1 3.93Å; S151-L155 WeakPolarHBondContact O-CB 3.47Å; S151-L155 PolarHBondContact O-N 2.93Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.91Å; L155-I158 PolarHBondContact O-N 2.91Å; L155-Y159 WeakPolarHBondContact O-CD2 3.42Å; L155-Y159 PolarHBondContact O-N 2.67Å
156	N	65	Low	62.4	Low	52 Å²	52	81.5 Å²	81.5	28%	0.278	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-34.7	176.8	-74.4	-35.3	0	0	0	112.3	R136 N152 D153 E154 Y159 R160	R136-N156 PolarHBondContact NH2-OD1 2.92Å; N152-N156 VanDerWaalsContact O-CB 3.29Å; N152-N156 WeakPolarHBondContact O-CB 3.47Å; N152-N156 PolarHBondContact O-N 3.13Å; N152-N156 PolarHBondContact O-ND2 3.09Å; D153-N156 PolarHBondContact O-N 2.85Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact O-N 3.18Å; N156-Y159 PolarHBondContact O-N 2.82Å; N156-R160 WeakPolarHBondContact O-CB 3.46Å; N156-R160 WeakPolarHBondContact O-CG 3.37Å; N156-R160 PolarHBondContact O-N 2.97Å
157	A	63.8	Low	63.1	Low	51 Å²	51	81.6 Å²	81.6	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-46.3	175.8	0	0	0	0	0	110.8	D153 E154 L155 Y159 R160 T161	D153-A157 WeakPolarHBondContact O-CB 3.29Å; D153-A157 PolarHBondContact O-N 2.89Å; E154-A157 WeakPolarHBondContact O-CB 3.45Å; E154-A157 PolarHBondContact O-N 2.88Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.91Å; A157-Y159 PolarHBondContact O-N 3.16Å; A157-R160 PolarHBondContact O-N 3.47Å; A157-T161 PolarHBondContact O-N 3.04Å; A157-T161 VanDerWaalsContact O-N 3.08Å; A157-T161 PolarHBondContact O-OG1 3.27Å; A157-T161 VanDerWaalsContact O-OG1 3.08Å
158	I	59.1	Low	63.3	Low	59 Å²	59	82.1 Å²	82.1	30%	0.303	44%	0.438	S	S	.	.	H	α-helix	trans	-59.2	-48.5	175.8	-64.3	167.2	0	0	0	110.4	M139 I150 E154 L155 R160 T161 V162	M139-I158 HydrophobicContact CE-CB 3.84Å; M139-I158 HydrophobicContact CE-CD1 4.12Å; M139-I158 HydrophobicContact CE-CG2 3.71Å; M139-I158 HydrophobicContact SD-CG2 3.91Å; I150-I158 HydrophobicContact CD1-CD1 3.49Å; I150-I158 VanDerWaalsContact CD1-CD1 3.49Å; E154-I158 WeakPolarHBondContact O-CG1 3.47Å; E154-I158 PolarHBondContact O-N 3.25Å; L155-I158 PolarHBondContact O-N 2.91Å; I158-R160 PolarHBondContact O-N 3.29Å; I158-T161 PolarHBondContact O-N 3.21Å; I158-T161 VanDerWaalsContact O-N 3.14Å; I158-V162 HydrophobicContact CG2-CG2 4.39Å; I158-V162 WeakPolarHBondContact O-CG2 3.48Å; I158-V162 PolarHBondContact O-N 3.37Å
159	Y	62.9	Low	63.5	Low	14 Å²	14	82.2 Å²	82.2	6%	0.055	44%	0.437	C	S	.	.	H	α-helix	trans	-58.9	-45.8	176.6	-94.9	-88.1	0	0	0	112.1	I134 T135 R136 M139 L155 N156 A157 T161 V162 D163 S168 I170	I134-Y159 PolarHBondContact O-OH 3.48Å; I134-Y159 VanDerWaalsContact O-OH 3.08Å; T135-Y159 PolarHBondContact O-OH 3.41Å; R136-Y159 VanDerWaalsContact CA-OH 3.29Å; R136-Y159 WeakPolarHBondContact CA-OH 3.49Å; R136-Y159 HydrophobicContact CB-CE2 4.32Å; R136-Y159 PolarHBondContact N-OH 2.94Å; M139-Y159 HydrophobicContact CE-CD2 3.56Å; M139-Y159 HydrophobicContact CE-CE2 3.46Å; M139-Y159 VanDerWaalsContact CE-CE2 3.46Å; M139-Y159 HydrophobicContact SD-CE2 4.28Å; L155-Y159 WeakPolarHBondContact O-CD2 3.42Å; L155-Y159 PolarHBondContact O-N 2.67Å; N156-Y159 PolarHBondContact O-N 2.82Å; A157-Y159 PolarHBondContact O-N 3.16Å; Y159-T161 PolarHBondContact O-N 3.38Å; Y159-V162 PolarHBondContact O-N 3.42Å; Y159-D163 HydrophobicContact CD1-CB 4.1Å; Y159-D163 WeakPolarHBondContact O-CA 3.43Å; Y159-D163 WeakPolarHBondContact O-CB 3.23Å; Y159-D163 PolarHBondContact O-N 3.13Å; Y159-S168 WeakPolarHBondContact CE1-O 3.43Å; Y159-I170 HydrophobicContact CE1-CG1 4.31Å
160	R	61.8	Low	63.9	Low	211 Å²	211	76.8 Å²	76.8	80%	0.796	40%	0.399	S	S	*	.	H	α-helix	trans	-61	-28.4	178.2	-76	171.6	-178.8	-147.7	3.2	113.5	N156 A157 I158	N156-R160 WeakPolarHBondContact O-CB 3.46Å; N156-R160 WeakPolarHBondContact O-CG 3.37Å; N156-R160 PolarHBondContact O-N 2.97Å; A157-R160 PolarHBondContact O-N 3.47Å; I158-R160 PolarHBondContact O-N 3.29Å
161	T	59.1	Low	63.7	Low	109 Å²	109	77.5 Å²	77.5	67%	0.669	40%	0.403	S	S	*	.	H	α-helix	trans	-83.1	-31.7	179.5	-59.3	0	0	0	0	112.3	A157 I158 Y159	A157-T161 PolarHBondContact O-N 3.04Å; A157-T161 VanDerWaalsContact O-N 3.08Å; A157-T161 PolarHBondContact O-OG1 3.27Å; A157-T161 VanDerWaalsContact O-OG1 3.08Å; I158-T161 PolarHBondContact O-N 3.21Å; I158-T161 VanDerWaalsContact O-N 3.14Å; Y159-T161 PolarHBondContact O-N 3.38Å
162	V	59.5	Low	63.1	Low	45 Å²	45	79.5 Å²	79.5	27%	0.273	41%	0.406	S	S	.	.	H	α-helix	trans	-109.3	-34.2	-168.2	-171.5	0	0	0	0	113.3	I158 Y159 L164 I170	I158-V162 HydrophobicContact CG2-CG2 4.39Å; I158-V162 WeakPolarHBondContact O-CG2 3.48Å; I158-V162 PolarHBondContact O-N 3.37Å; Y159-V162 PolarHBondContact O-N 3.42Å; V162-L164 PolarHBondContact O-N 3.04Å; V162-I170 HydrophobicContact CB-CD1 4.12Å; V162-I170 HydrophobicContact CB-CG1 4.15Å; V162-I170 HydrophobicContact CG1-CB 4.16Å; V162-I170 HydrophobicContact CG1-CD1 3.98Å; V162-I170 HydrophobicContact CG1-CG1 3.84Å; V162-I170 HydrophobicContact CG1-CG2 3.34Å
163	D	65.2	Low	62.1	Low	19 Å²	19	77.9 Å²	77.9	10%	0.102	40%	0.398	C	S	.	.			trans	-80.3	80.2	176.2	180	11.9	0	0	0	110.2	Y159 D165 K166 N167 S168	Y159-D163 HydrophobicContact CD1-CB 4.1Å; Y159-D163 WeakPolarHBondContact O-CA 3.43Å; Y159-D163 WeakPolarHBondContact O-CB 3.23Å; Y159-D163 PolarHBondContact O-N 3.13Å; D163-D165 VanDerWaalsContact C-N 3.34Å; D163-K166 WeakPolarHBondContact OD1-CA 3.19Å; D163-K166 PolarHBondContact OD1-N 2.9Å; D163-K166 WeakPolarHBondContact OD2-CA 3.2Å; D163-N167 PolarHBondContact OD1-N 2.94Å; D163-N167 PolarHBondContact OD1-OD1 2.75Å; D163-N167 PolarHBondContact OD2-N 3.5Å; D163-S168 WeakPolarHBondContact OD2-CA 3.5Å; D163-S168 PolarHBondContact OD2-N 3.15Å
164	L	60.3	Low	61.1	Low	136 Å²	136	74.1 Å²	74.1	71%	0.712	39%	0.389	S	S	*	.	S	Bend	trans	-70.7	-28.4	-177.2	-66.7	177.4	0	0	0	112.9	V162	V162-L164 PolarHBondContact O-N 3.04Å
165	D	67.5	Low	60.5	Low	93 Å²	93	74.4 Å²	74.4	50%	0.497	40%	0.398	S	S	.	.	S	Bend	trans	-98.4	0.6	-177.7	73.9	-12.1	0	0	0	113.3	D163 N167	D163-D165 VanDerWaalsContact C-N 3.34Å; D165-N167 VanDerWaalsContact CG-CG 3.44Å; D165-N167 PolarHBondContact O-N 3.44Å; D165-N167 WeakPolarHBondContact OD1-CB 3.25Å; D165-N167 PolarHBondContact OD1-N 2.93Å; D165-N167 PolarHBondContact OD1-ND2 3.02Å; D165-N167 PolarHBondContact OD1-OD1 3.45Å; D165-N167 PolarHBondContact OD2-ND2 3.49Å
166	K	63.6	Low	59.5	Low	180 Å²	180	78.3 Å²	78.3	78%	0.783	43%	0.425	S	S	*	.			trans	60.2	26.4	178.7	-57.7	178.2	180	174.8	0	112.7	D163 S168	D163-K166 WeakPolarHBondContact OD1-CA 3.19Å; D163-K166 PolarHBondContact OD1-N 2.9Å; D163-K166 WeakPolarHBondContact OD2-CA 3.2Å; K166-S168 PolarHBondContact O-N 3.39Å
167	N	68.4	Low	58.5	Low	62 Å²	62	78.3 Å²	78.3	33%	0.332	43%	0.427	S	S	.	.	S	Bend	trans	-81.7	2.1	-179.8	74.1	14.6	0	0	0	112.1	D163 D165 K169	D163-N167 PolarHBondContact OD1-N 2.94Å; D163-N167 PolarHBondContact OD1-OD1 2.75Å; D163-N167 PolarHBondContact OD2-N 3.5Å; D165-N167 VanDerWaalsContact CG-CG 3.44Å; D165-N167 PolarHBondContact O-N 3.44Å; D165-N167 WeakPolarHBondContact OD1-CB 3.25Å; D165-N167 PolarHBondContact OD1-N 2.93Å; D165-N167 PolarHBondContact OD1-ND2 3.02Å; D165-N167 PolarHBondContact OD1-OD1 3.45Å; D165-N167 PolarHBondContact OD2-ND2 3.49Å; N167-K169 PolarHBondContact O-N 2.91Å; N167-K169 WeakPolarHBondContact OD1-CA 3.42Å; N167-K169 WeakPolarHBondContact OD1-CB 3.31Å; N167-K169 PolarHBondContact OD1-N 3.4Å; N167-K169 PolarHBondContact OD1-O 3.19Å
168	S	62.1	Low	57.4	Low	81 Å²	81	76.7 Å²	76.7	57%	0.566	41%	0.413	S	S	*	.	S	Bend	trans	59.3	21.9	-175.5	-56.2	0	0	0	0	113.9	Y159 D163 K166	Y159-S168 WeakPolarHBondContact CE1-O 3.43Å; D163-S168 WeakPolarHBondContact OD2-CA 3.5Å; D163-S168 PolarHBondContact OD2-N 3.15Å; K166-S168 PolarHBondContact O-N 3.39Å
169	K	64.3	Low	56.3	Low	82 Å²	82	77 Å²	77	36%	0.357	42%	0.417	S	S	.	.	S	Bend	trans	-129.3	145	173.3	-55.7	-174.5	167.1	-148.3	0	107.9	Y133 N167	Y133-K169 HydrophobicContact CD1-CB 3.85Å; Y133-K169 HydrophobicContact CD1-CD 4.18Å; Y133-K169 HydrophobicContact CG-CB 4.35Å; Y133-K169 HydrophobicContact CG-CD 4.24Å; N167-K169 PolarHBondContact O-N 2.91Å; N167-K169 WeakPolarHBondContact OD1-CA 3.42Å; N167-K169 WeakPolarHBondContact OD1-CB 3.31Å; N167-K169 PolarHBondContact OD1-N 3.4Å; N167-K169 PolarHBondContact OD1-O 3.19Å
170	I	62.8	Low	55	Low	5 Å²	5	84.4 Å²	84.4	3%	0.026	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.9	171.7	-65.7	170.3	0	0	0	107.8	F123 Y133 I134 Y159 V162	F123-I170 HydrophobicContact CE1-CB 3.99Å; F123-I170 HydrophobicContact CE1-CD1 4.39Å; F123-I170 HydrophobicContact CE1-CG2 3.35Å; F123-I170 HydrophobicContact CZ-CB 4.44Å; F123-I170 HydrophobicContact CZ-CD1 4.36Å; F123-I170 HydrophobicContact CZ-CG2 3.54Å; Y133-I170 WeakPolarHBondContact CA-O 3.46Å; I134-I170 PolarHBondContact O-N 3.39Å; Y159-I170 HydrophobicContact CE1-CG1 4.31Å; V162-I170 HydrophobicContact CB-CD1 4.12Å; V162-I170 HydrophobicContact CB-CG1 4.15Å; V162-I170 HydrophobicContact CG1-CB 4.16Å; V162-I170 HydrophobicContact CG1-CD1 3.98Å; V162-I170 HydrophobicContact CG1-CG1 3.84Å; V162-I170 HydrophobicContact CG1-CG2 3.34Å
171	D	60	Low	54.1	Low	43 Å²	43	75.6 Å²	75.6	23%	0.23	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.2	178.6	68.3	-42	0	0	0	111.4	Y133 D173	Y133-D171 HydrophobicContact CD1-CB 4.15Å; Y133-D171 HydrophobicContact CE1-CB 3.74Å; D171-D173 PolarHBondContact O-N 3.43Å; D171-D173 VanDerWaalsContact O-N 3.16Å
172	F	56.9	Low	53	Low	89 Å²	89	73.9 Å²	73.9	39%	0.39	40%	0.404	S	S	.	.			trans	-89	60.4	169.4	-159.3	-99.6	0	0	0	110.4	K120 G174	K120-F172 HydrophobicContact CD-CZ 4.19Å; K120-F172 HydrophobicContact CG-CZ 4.38Å; F172-G174 PolarHBondContact O-N 3.26Å; F172-G174 VanDerWaalsContact O-N 3.1Å
173	D	52	Low	52	Low	72 Å²	72	79.2 Å²	79.2	39%	0.385	42%	0.419	S	S	.	.			trans	-64.8	105.1	164.2	166	-45.3	0	0	0	108	D171 T175 S176	D171-D173 PolarHBondContact O-N 3.43Å; D171-D173 VanDerWaalsContact O-N 3.16Å; D173-T175 PolarHBondContact O-N 2.96Å; D173-T175 WeakPolarHBondContact OD1-CA 3.3Å; D173-T175 PolarHBondContact OD1-N 2.75Å; D173-T175 PolarHBondContact OD1-OG1 2.68Å; D173-S176 PolarHBondContact OD1-N 2.84Å
174	G	47.2	Very low	51.1	Low	48 Å²	48	81.9 Å²	81.9	50%	0.495	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	7	-174	0	0	0	0	0	115.9	F172 S178	F172-G174 PolarHBondContact O-N 3.26Å; F172-G174 VanDerWaalsContact O-N 3.1Å; G174-S178 VanDerWaalsContact C-CB 3.47Å; G174-S178 VanDerWaalsContact O-CB 3.24Å; G174-S178 WeakPolarHBondContact O-CB 3.31Å
175	T	43.5	Very low	50.3	Low	109 Å²	109	77.6 Å²	77.6	67%	0.669	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-41.1	-167.8	21.6	0	0	0	0	114.6	D173	D173-T175 PolarHBondContact O-N 2.96Å; D173-T175 WeakPolarHBondContact OD1-CA 3.3Å; D173-T175 PolarHBondContact OD1-N 2.75Å; D173-T175 PolarHBondContact OD1-OG1 2.68Å
176	S	44	Very low	49.2	Very low	85 Å²	85	77.6 Å²	77.6	59%	0.594	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-43.7	-175.8	-59.8	0	0	0	0	113	D173	D173-S176 PolarHBondContact OD1-N 2.84Å
177	T	44	Very low	48.3	Very low	52 Å²	52	72.9 Å²	72.9	32%	0.319	39%	0.391	S	S	.	.	H	α-helix	trans	-72.3	-37.3	174.4	-54.9	0	0	0	0	110.2	T179 Y180 A181	T177-T179 PolarHBondContact O-N 3.32Å; T177-Y180 PolarHBondContact O-N 2.79Å; T177-A181 HydrophobicContact CG2-CB 4.14Å; T177-A181 WeakPolarHBondContact O-CA 3.07Å; T177-A181 WeakPolarHBondContact O-CB 3.3Å; T177-A181 PolarHBondContact O-N 2.92Å
178	S	41.6	Very low	47.7	Very low	17 Å²	17	72.7 Å²	72.7	12%	0.119	39%	0.392	C	S	.	.	H	α-helix	trans	-55.4	-39.1	-179.8	-168.2	0	0	0	0	114	G174 M182	G174-S178 VanDerWaalsContact C-CB 3.47Å; G174-S178 VanDerWaalsContact O-CB 3.24Å; G174-S178 WeakPolarHBondContact O-CB 3.31Å; S178-M182 WeakPolarHBondContact O-CA 3.36Å; S178-M182 WeakPolarHBondContact O-CB 3.34Å; S178-M182 VanDerWaalsContact O-CE 3.28Å; S178-M182 WeakPolarHBondContact O-CE 3.15Å; S178-M182 WeakPolarHBondContact O-CG 3.36Å; S178-M182 PolarHBondContact O-N 3.19Å; S178-M182 VanDerWaalsContact OG-CE 3.25Å; S178-M182 WeakPolarHBondContact OG-CE 3.27Å
179	T	35.2	Very low	47.3	Very low	64 Å²	64	71.2 Å²	71.2	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-72	-40.6	-178.2	-59	0	0	0	0	112.9	T177 R183	T177-T179 PolarHBondContact O-N 3.32Å; T179-R183 WeakPolarHBondContact O-CB 3.25Å; T179-R183 WeakPolarHBondContact O-CG 3.2Å; T179-R183 PolarHBondContact O-N 2.89Å; T179-R183 VanDerWaalsContact O-N 3.14Å
180	Y	35.6	Very low	46.8	Very low	171 Å²	171	68.1 Å²	68.1	67%	0.671	37%	0.37	S	S	*	.	H	α-helix	trans	-74.9	-45	174.8	-84.8	-90.7	0	0	0	110.8	T177 M182 R183 T184	T177-Y180 PolarHBondContact O-N 2.79Å; Y180-M182 VanDerWaalsContact C-N 3.31Å; Y180-M182 PolarHBondContact O-N 3.03Å; Y180-R183 PolarHBondContact O-N 2.91Å; Y180-T184 WeakPolarHBondContact O-CB 2.91Å; Y180-T184 VanDerWaalsContact O-CG2 3.28Å; Y180-T184 WeakPolarHBondContact O-CG2 3.34Å; Y180-T184 PolarHBondContact O-N 3.18Å; Y180-T184 PolarHBondContact O-OG1 2.71Å; Y180-T184 VanDerWaalsContact O-OG1 3.07Å
181	A	42.2	Very low	46.6	Very low	25 Å²	25	71.1 Å²	71.1	21%	0.207	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-32.3	175.7	0	0	0	0	0	113.1	T177 T184 Q185	T177-A181 HydrophobicContact CG2-CB 4.14Å; T177-A181 WeakPolarHBondContact O-CA 3.07Å; T177-A181 WeakPolarHBondContact O-CB 3.3Å; T177-A181 PolarHBondContact O-N 2.92Å; A181-T184 VanDerWaalsContact C-OG1 3.28Å; A181-T184 WeakPolarHBondContact CA-OG1 3.35Å; A181-T184 PolarHBondContact O-OG1 2.98Å; A181-Q185 WeakPolarHBondContact O-CA 3.31Å; A181-Q185 WeakPolarHBondContact O-CB 3.1Å; A181-Q185 WeakPolarHBondContact O-CG 3.16Å; A181-Q185 PolarHBondContact O-N 3.05Å
182	M	37.2	Very low	46.6	Very low	73 Å²	73	71.7 Å²	71.7	36%	0.36	39%	0.387	S	S	.	.	H	α-helix	trans	-79	-37.6	174.7	-75	-174.1	-63.9	0	0	111.9	S178 Y180 T184 Q185 K186	S178-M182 WeakPolarHBondContact O-CA 3.36Å; S178-M182 WeakPolarHBondContact O-CB 3.34Å; S178-M182 VanDerWaalsContact O-CE 3.28Å; S178-M182 WeakPolarHBondContact O-CE 3.15Å; S178-M182 WeakPolarHBondContact O-CG 3.36Å; S178-M182 PolarHBondContact O-N 3.19Å; S178-M182 VanDerWaalsContact OG-CE 3.25Å; S178-M182 WeakPolarHBondContact OG-CE 3.27Å; Y180-M182 VanDerWaalsContact C-N 3.31Å; Y180-M182 PolarHBondContact O-N 3.03Å; M182-T184 VanDerWaalsContact C-N 3.3Å; M182-Q185 PolarHBondContact O-N 3.31Å; M182-K186 WeakPolarHBondContact O-CB 3.45Å; M182-K186 WeakPolarHBondContact O-CG 2.97Å; M182-K186 PolarHBondContact O-N 3.26Å
183	R	37.6	Very low	46.7	Very low	158 Å²	158	68 Å²	68	60%	0.596	37%	0.37	S	S	*	.	H	α-helix	trans	-62.6	-43	171.1	-80.9	177.4	173.6	153.7	-0.4	110.3	T179 Y180 L187	T179-R183 WeakPolarHBondContact O-CB 3.25Å; T179-R183 WeakPolarHBondContact O-CG 3.2Å; T179-R183 PolarHBondContact O-N 2.89Å; T179-R183 VanDerWaalsContact O-N 3.14Å; Y180-R183 PolarHBondContact O-N 2.91Å; R183-L187 WeakPolarHBondContact O-CD1 3.49Å; R183-L187 PolarHBondContact O-N 2.99Å
184	T	46.6	Very low	47.1	Very low	75 Å²	75	64.9 Å²	64.9	46%	0.46	35%	0.354	S	S	.	.	H	α-helix	trans	-67.7	-45.8	174.5	58.4	0	0	0	0	110.5	Y180 A181 M182 K186 L187 T188	Y180-T184 WeakPolarHBondContact O-CB 2.91Å; Y180-T184 VanDerWaalsContact O-CG2 3.28Å; Y180-T184 WeakPolarHBondContact O-CG2 3.34Å; Y180-T184 PolarHBondContact O-N 3.18Å; Y180-T184 PolarHBondContact O-OG1 2.71Å; Y180-T184 VanDerWaalsContact O-OG1 3.07Å; A181-T184 VanDerWaalsContact C-OG1 3.28Å; A181-T184 WeakPolarHBondContact CA-OG1 3.35Å; A181-T184 PolarHBondContact O-OG1 2.98Å; M182-T184 VanDerWaalsContact C-N 3.3Å; T184-K186 VanDerWaalsContact C-N 3.35Å; T184-K186 PolarHBondContact O-N 2.77Å; T184-L187 CarbonylContact O-C 3.23Å; T184-L187 WeakPolarHBondContact O-CA 3.24Å; T184-L187 WeakPolarHBondContact O-CB 3.41Å; T184-L187 PolarHBondContact O-N 3.02Å; T184-T188 WeakPolarHBondContact O-CB 3.26Å; T184-T188 PolarHBondContact O-N 2.84Å; T184-T188 PolarHBondContact O-OG1 3.18Å
185	Q	44.6	Very low	47.6	Very low	46 Å²	46	66.9 Å²	66.9	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-41	178.3	-84.6	174.7	4.1	0	0	112.8	A181 M182 L187 T188 S189	A181-Q185 WeakPolarHBondContact O-CA 3.31Å; A181-Q185 WeakPolarHBondContact O-CB 3.1Å; A181-Q185 WeakPolarHBondContact O-CG 3.16Å; A181-Q185 PolarHBondContact O-N 3.05Å; M182-Q185 PolarHBondContact O-N 3.31Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 3.15Å; Q185-T188 CarbonylContact O-C 3.4Å; Q185-T188 PolarHBondContact O-N 3.46Å; Q185-T188 VanDerWaalsContact O-N 3.15Å; Q185-S189 PolarHBondContact O-N 3.21Å; Q185-S189 PolarHBondContact O-OG 3.12Å
186	K	43.9	Very low	48.5	Very low	92 Å²	92	63.2 Å²	63.2	40%	0.4	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-43.7	174	-73.2	179.2	-176.7	-169.7	0	111.3	M182 T184 T188 V190	M182-K186 WeakPolarHBondContact O-CB 3.45Å; M182-K186 WeakPolarHBondContact O-CG 2.97Å; M182-K186 PolarHBondContact O-N 3.26Å; T184-K186 VanDerWaalsContact C-N 3.35Å; T184-K186 PolarHBondContact O-N 2.77Å; K186-T188 VanDerWaalsContact C-N 3.34Å; K186-V190 WeakPolarHBondContact O-CG2 3.33Å; K186-V190 PolarHBondContact O-N 2.84Å
187	L	44.3	Very low	49.1	Very low	81 Å²	81	59.2 Å²	59.2	42%	0.424	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-37.9	172.1	-95	141.4	0	0	0	111.9	L77 R183 T184 Q185 V190 L191	L77-L187 HydrophobicContact CD2-CD2 3.61Å; L77-L187 HydrophobicContact CD2-CG 4.37Å; R183-L187 WeakPolarHBondContact O-CD1 3.49Å; R183-L187 PolarHBondContact O-N 2.99Å; T184-L187 CarbonylContact O-C 3.23Å; T184-L187 WeakPolarHBondContact O-CA 3.24Å; T184-L187 WeakPolarHBondContact O-CB 3.41Å; T184-L187 PolarHBondContact O-N 3.02Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 3.15Å; L187-V190 PolarHBondContact O-N 3.32Å; L187-L191 WeakPolarHBondContact O-CB 3.08Å; L187-L191 WeakPolarHBondContact O-CG 3.32Å; L187-L191 PolarHBondContact O-N 3.34Å
188	T	55.2	Low	49.6	Very low	58 Å²	58	58.5 Å²	58.5	36%	0.356	30%	0.298	S	S	.	.	H	α-helix	trans	-70	-43.8	-177.8	-57.9	0	0	0	0	110.4	T184 Q185 K186 V190 L191 E192	T184-T188 WeakPolarHBondContact O-CB 3.26Å; T184-T188 PolarHBondContact O-N 2.84Å; T184-T188 PolarHBondContact O-OG1 3.18Å; Q185-T188 CarbonylContact O-C 3.4Å; Q185-T188 PolarHBondContact O-N 3.46Å; Q185-T188 VanDerWaalsContact O-N 3.15Å; K186-T188 VanDerWaalsContact C-N 3.34Å; T188-V190 VanDerWaalsContact C-N 3.29Å; T188-V190 PolarHBondContact O-N 2.95Å; T188-L191 CarbonylContact O-C 3.58Å; T188-L191 PolarHBondContact O-N 3.37Å; T188-E192 HydrophobicContact CG2-CG 4.08Å; T188-E192 WeakPolarHBondContact O-CA 3.16Å; T188-E192 WeakPolarHBondContact O-CB 3.48Å; T188-E192 WeakPolarHBondContact O-CG 3.44Å; T188-E192 PolarHBondContact O-N 3.46Å
189	S	54.4	Low	50.3	Low	50 Å²	50	64.9 Å²	64.9	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-37.9	175.2	-59.4	0	0	0	0	111.6	Q185 F193	Q185-S189 PolarHBondContact O-N 3.21Å; Q185-S189 PolarHBondContact O-OG 3.12Å; S189-F193 VanDerWaalsContact O-CB 3.28Å; S189-F193 WeakPolarHBondContact O-CB 3.46Å; S189-F193 PolarHBondContact O-N 3.3Å
190	V	54.6	Low	51.1	Low	18 Å²	18	70.5 Å²	70.5	11%	0.109	34%	0.34	C	S	.	.	H	α-helix	trans	-71.8	-42	177.2	-172.5	0	0	0	0	110.1	F57 V73 L77 K186 L187 T188 F193 V194	F57-V190 HydrophobicContact CE1-CG1 4.36Å; F57-V190 HydrophobicContact CE2-CG1 4.1Å; F57-V190 HydrophobicContact CE2-CG2 4.31Å; F57-V190 HydrophobicContact CZ-CG1 3.57Å; V73-V190 HydrophobicContact CG1-CG1 3.84Å; L77-V190 HydrophobicContact CD1-CB 3.99Å; L77-V190 HydrophobicContact CD1-CG1 3.11Å; L77-V190 HydrophobicContact CD2-CB 4.21Å; L77-V190 HydrophobicContact CD2-CG1 3.92Å; L77-V190 HydrophobicContact CG-CG1 4.01Å; K186-V190 WeakPolarHBondContact O-CG2 3.33Å; K186-V190 PolarHBondContact O-N 2.84Å; L187-V190 PolarHBondContact O-N 3.32Å; T188-V190 VanDerWaalsContact C-N 3.29Å; T188-V190 PolarHBondContact O-N 2.95Å; V190-F193 PolarHBondContact O-N 3.44Å; V190-V194 WeakPolarHBondContact O-CB 3.49Å; V190-V194 VanDerWaalsContact O-CG2 3.24Å; V190-V194 WeakPolarHBondContact O-CG2 3.09Å; V190-V194 PolarHBondContact O-N 3.45Å
191	L	57.8	Low	51.4	Low	67 Å²	67	67.3 Å²	67.3	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-66.8	-35.4	174.9	-75.5	169.7	0	0	0	112.3	Q79 L187 T188 V194 N195	Q79-L191 HydrophobicContact CG-CD2 4.32Å; L187-L191 WeakPolarHBondContact O-CB 3.08Å; L187-L191 WeakPolarHBondContact O-CG 3.32Å; L187-L191 PolarHBondContact O-N 3.34Å; T188-L191 CarbonylContact O-C 3.58Å; T188-L191 PolarHBondContact O-N 3.37Å; L191-V194 PolarHBondContact O-N 2.94Å; L191-N195 WeakPolarHBondContact O-CB 3.26Å; L191-N195 PolarHBondContact O-N 3.09Å
192	E	59.2	Low	51.9	Low	55 Å²	55	69.4 Å²	69.4	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-69.5	-44	174.3	-80.3	177.7	177.5	0	0	110	T188 V194 N195 I196	T188-E192 HydrophobicContact CG2-CG 4.08Å; T188-E192 WeakPolarHBondContact O-CA 3.16Å; T188-E192 WeakPolarHBondContact O-CB 3.48Å; T188-E192 WeakPolarHBondContact O-CG 3.44Å; T188-E192 PolarHBondContact O-N 3.46Å; E192-V194 VanDerWaalsContact C-N 3.31Å; E192-V194 PolarHBondContact O-N 3.13Å; E192-N195 PolarHBondContact O-N 2.94Å; E192-N195 VanDerWaalsContact O-N 3.15Å; E192-I196 WeakPolarHBondContact O-CB 3.14Å; E192-I196 VanDerWaalsContact O-CD1 3.25Å; E192-I196 WeakPolarHBondContact O-CD1 3.35Å; E192-I196 WeakPolarHBondContact O-CG1 3.24Å; E192-I196 PolarHBondContact O-N 3.29Å
193	F	60.8	Low	52.7	Low	11 Å²	11	69.2 Å²	69.2	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-58	-46.5	173.3	-171	-107.5	0	0	0	110.9	F57 F106 I109 S189 V190 I196 M197	F57-F193 HydrophobicContact CE1-CD1 4.28Å; F57-F193 AromaticContact CZ-CD1 3.95Å; F57-F193 HydrophobicContact CZ-CD1 3.95Å; F57-F193 HydrophobicContact CZ-CE1 4.5Å; F106-F193 HydrophobicContact CD2-CE1 4.19Å; F106-F193 AromaticContact CD2-CE2 3.82Å; F106-F193 HydrophobicContact CD2-CE2 3.82Å; F106-F193 AromaticContact CD2-CZ 3.64Å; F106-F193 HydrophobicContact CD2-CZ 3.64Å; F106-F193 HydrophobicContact CE2-CD1 4.23Å; F106-F193 HydrophobicContact CE2-CD2 4.04Å; F106-F193 AromaticContact CE2-CE1 3.96Å; F106-F193 HydrophobicContact CE2-CE1 3.96Å; F106-F193 AromaticContact CE2-CE2 3.75Å; F106-F193 HydrophobicContact CE2-CE2 3.75Å; F106-F193 HydrophobicContact CE2-CG 4.28Å; F106-F193 AromaticContact CE2-CZ 3.74Å; F106-F193 HydrophobicContact CE2-CZ 3.74Å; I109-F193 HydrophobicContact CB-CE2 3.97Å; I109-F193 HydrophobicContact CD1-CE2 4.03Å; I109-F193 HydrophobicContact CD1-CZ 4.09Å; I109-F193 HydrophobicContact CG2-CD2 4.08Å; I109-F193 HydrophobicContact CG2-CE2 3.55Å; I109-F193 HydrophobicContact CG2-CZ 4.48Å; S189-F193 VanDerWaalsContact O-CB 3.28Å; S189-F193 WeakPolarHBondContact O-CB 3.46Å; S189-F193 PolarHBondContact O-N 3.3Å; V190-F193 PolarHBondContact O-N 3.44Å; F193-I196 PolarHBondContact O-N 2.89Å; F193-M197 HydrophobicContact CD1-CE 3.16Å; F193-M197 HydrophobicContact CD1-SD 4.08Å; F193-M197 HydrophobicContact CE1-CE 3.13Å; F193-M197 HydrophobicContact CE1-CG 4.46Å; F193-M197 HydrophobicContact CE1-SD 3.53Å; F193-M197 VanDerWaalsContact CE1-SD 3.53Å; F193-M197 HydrophobicContact CG-CE 4.11Å; F193-M197 HydrophobicContact CZ-CE 4.05Å; F193-M197 HydrophobicContact CZ-SD 3.86Å; F193-M197 WeakPolarHBondContact O-CB 3.46Å; F193-M197 VanDerWaalsContact O-CG 3.3Å; F193-M197 WeakPolarHBondContact O-CG 3.28Å; F193-M197 PolarHBondContact O-N 3.34Å
194	V	59.4	Low	53.5	Low	7 Å²	7	64.3 Å²	64.3	4%	0.042	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-48.7	172.1	164.4	0	0	0	0	111	M74 L77 M89 V190 L191 E192 I196 M197 C198	M74-V194 HydrophobicContact CE-CG1 3.68Å; M74-V194 HydrophobicContact CE-CG2 4.24Å; M74-V194 HydrophobicContact CG-CG2 3.84Å; M74-V194 HydrophobicContact SD-CG2 4.3Å; L77-V194 HydrophobicContact CD1-CG2 4.35Å; M89-V194 HydrophobicContact CE-CB 3.93Å; M89-V194 HydrophobicContact CE-CG1 3.65Å; M89-V194 HydrophobicContact CE-CG2 4.08Å; M89-V194 VanDerWaalsContact CE-O 3.28Å; M89-V194 WeakPolarHBondContact CE-O 3.49Å; V190-V194 WeakPolarHBondContact O-CB 3.49Å; V190-V194 VanDerWaalsContact O-CG2 3.24Å; V190-V194 WeakPolarHBondContact O-CG2 3.09Å; V190-V194 PolarHBondContact O-N 3.45Å; L191-V194 PolarHBondContact O-N 2.94Å; E192-V194 VanDerWaalsContact C-N 3.31Å; E192-V194 PolarHBondContact O-N 3.13Å; V194-I196 PolarHBondContact O-N 3.43Å; V194-M197 CarbonylContact O-C 3.6Å; V194-M197 WeakPolarHBondContact O-CB 3.4Å; V194-M197 PolarHBondContact O-N 2.82Å; V194-C198 PolarHBondContact O-N 2.91Å; V194-C198 PolarHBondContact O-SG 3.06Å
195	N	58.2	Low	53.9	Low	91 Å²	91	63.6 Å²	63.6	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-66.5	-38.4	-177.4	-162.8	33.1	0	0	0	112.8	L191 E192 M197 C198 H199	L191-N195 WeakPolarHBondContact O-CB 3.26Å; L191-N195 PolarHBondContact O-N 3.09Å; E192-N195 PolarHBondContact O-N 2.94Å; E192-N195 VanDerWaalsContact O-N 3.15Å; N195-M197 VanDerWaalsContact C-N 3.32Å; N195-C198 PolarHBondContact O-N 2.79Å; N195-H199 WeakPolarHBondContact O-CB 3.49Å; N195-H199 PolarHBondContact O-N 3.2Å; N195-H199 PolarHBondContact OD1-CD2 2.87Å
196	I	61.2	Low	54.5	Low	32 Å²	32	64.8 Å²	64.8	16%	0.164	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-46	173	-68.6	157.1	0	0	0	109.7	I109 N113 E192 F193 V194 R200	I109-I196 HydrophobicContact CG2-CG2 4.34Å; N113-I196 HydrophobicContact CB-CD1 3.65Å; N113-I196 HydrophobicContact CB-CG1 4.35Å; N113-I196 WeakPolarHBondContact ND2-CD1 3.49Å; E192-I196 WeakPolarHBondContact O-CB 3.14Å; E192-I196 VanDerWaalsContact O-CD1 3.25Å; E192-I196 WeakPolarHBondContact O-CD1 3.35Å; E192-I196 WeakPolarHBondContact O-CG1 3.24Å; E192-I196 PolarHBondContact O-N 3.29Å; F193-I196 PolarHBondContact O-N 2.89Å; V194-I196 PolarHBondContact O-N 3.43Å; I196-R200 WeakPolarHBondContact O-CB 3.42Å; I196-R200 WeakPolarHBondContact O-CG 3.44Å; I196-R200 PolarHBondContact O-N 3.03Å
197	M	56.6	Low	55.2	Low	1 Å²	1	62.9 Å²	62.9	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-66.9	-37.2	178.7	-77.2	-165.7	-65	0	0	111.9	L70 M89 A93 F193 V194 N195	L70-M197 HydrophobicContact CD1-CE 3.56Å; L70-M197 HydrophobicContact CD2-CE 3.94Å; L70-M197 HydrophobicContact CD2-SD 4.07Å; L70-M197 HydrophobicContact CG-CE 4.38Å; M89-M197 HydrophobicContact CB-CB 3.58Å; M89-M197 HydrophobicContact CB-CG 4.31Å; M89-M197 HydrophobicContact CB-SD 4.06Å; M89-M197 HydrophobicContact CE-CB 3.69Å; M89-M197 HydrophobicContact CE-CE 3.73Å; M89-M197 HydrophobicContact CG-CB 3.63Å; A93-M197 HydrophobicContact CB-SD 3.9Å; F193-M197 HydrophobicContact CD1-CE 3.16Å; F193-M197 HydrophobicContact CD1-SD 4.08Å; F193-M197 HydrophobicContact CE1-CE 3.13Å; F193-M197 HydrophobicContact CE1-CG 4.46Å; F193-M197 HydrophobicContact CE1-SD 3.53Å; F193-M197 VanDerWaalsContact CE1-SD 3.53Å; F193-M197 HydrophobicContact CG-CE 4.11Å; F193-M197 HydrophobicContact CZ-CE 4.05Å; F193-M197 HydrophobicContact CZ-SD 3.86Å; F193-M197 WeakPolarHBondContact O-CB 3.46Å; F193-M197 VanDerWaalsContact O-CG 3.3Å; F193-M197 WeakPolarHBondContact O-CG 3.28Å; F193-M197 PolarHBondContact O-N 3.34Å; V194-M197 CarbonylContact O-C 3.6Å; V194-M197 WeakPolarHBondContact O-CB 3.4Å; V194-M197 PolarHBondContact O-N 2.82Å; N195-M197 VanDerWaalsContact C-N 3.32Å
198	C	56	Low	56	Low	36 Å²	36	61.6 Å²	61.6	24%	0.243	35%	0.347	C	S	.	.	H	α-helix	trans	-68.8	-38.1	175.9	-70	0	0	0	0	113.1	E85 M89 V194 N195	E85-C198 PolarHBondContact OE1-SG 3.23Å; M89-C198 VanDerWaalsContact SD-SG 3.67Å; V194-C198 PolarHBondContact O-N 2.91Å; V194-C198 PolarHBondContact O-SG 3.06Å; N195-C198 PolarHBondContact O-N 2.79Å
199	H	55.1	Low	56	Low	151 Å²	151	61.9 Å²	61.9	70%	0.699	35%	0.347	S	S	*	.	H	α-helix	trans	-86.7	-11.5	-176.4	-91.6	-65.8	0	0	0	115.3	N195	N195-H199 WeakPolarHBondContact O-CB 3.49Å; N195-H199 PolarHBondContact O-N 3.2Å; N195-H199 PolarHBondContact OD1-CD2 2.87Å
200	R	52.4	Low	56.2	Low	183 Å²	183	62.9 Å²	62.9	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.2	176.5	-71.8	-178.4	80.4	98.5	-1.8	114.1	A92 I196	A92-R200 HydrophobicContact CB-CB 4.25Å; I196-R200 WeakPolarHBondContact O-CB 3.42Å; I196-R200 WeakPolarHBondContact O-CG 3.44Å; I196-R200 PolarHBondContact O-N 3.03Å
201	G	42.7	Very low	56.3	Low	103 Å²	103	67 Å²	67	100%	1.062	37%	0.368	S	S	*	.			trans	-94.8	0	172.7	0	0	0	0	0	112.4

Retrieved 201 of 201 residues in 640.3 ms (Link to these results)

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