A0A077ZNC2_TRITR Loading...

sphingomyelin phosphodiesterase

AlphaFold DB , UniProt , Accession A0A077ZNC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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	24.8	Very low	39	Very low	248 Å²	248	112.2 Å²	112.2	100%	1.222	61%	0.607	S	S	*	*				0	107.2	0	-84.9	171.8	171.4	0	0	107.8
2	M	28	Very low	39.2	Very low	159 Å²	159	111.8 Å²	111.8	78%	0.783	61%	0.614	S	S	*	*			trans	-76	121.8	176.1	-78.4	171.2	-176	0	0	109	L4 L43	M2-L4 PolarHBondContact O-N 3.12Å; M2-L43 HydrophobicContact CE-CD1 4.09Å; M2-L43 HydrophobicContact SD-CD1 4.09Å
3	N	26.6	Very low	39.4	Very low	132 Å²	132	121.8 Å²	121.8	71%	0.706	64%	0.637	S	S	*	*			trans	-86.1	102.4	177.7	-137	-6.8	0	0	0	108.4	S5	N3-S5 PolarHBondContact O-N 2.69Å; N3-S5 PolarHBondContact OD1-OG 2.8Å
4	L	34.5	Very low	39.4	Very low	139 Å²	139	123.3 Å²	123.3	73%	0.728	65%	0.646	S	S	*	*			trans	-78.1	16.7	-179.1	-92.4	154.6	0	0	0	113.7	M2	M2-L4 PolarHBondContact O-N 3.12Å
5	S	32.4	Very low	40.1	Very low	86 Å²	86	121.4 Å²	121.4	60%	0.601	64%	0.642	S	S	*	*			trans	-110.6	76	-165.6	62.8	0	0	0	0	113	N3	N3-S5 PolarHBondContact O-N 2.69Å; N3-S5 PolarHBondContact OD1-OG 2.8Å
6	C	45.5	Very low	40.5	Very low	29 Å²	29	121 Å²	121	20%	0.196	63%	0.634	C	S	.	*			trans	-162.1	46	159.4	-143.2	0	0	0	0	114.7	Y20 P21	C6-Y20 HydrophobicContact CB-CD2 4.15Å; C6-Y20 HydrophobicContact CB-CE2 4.02Å; C6-Y20 WeakPolarHBondContact O-CD2 3.37Å; C6-P21 VanDerWaalsContact SG-CG 3.55Å
7	V	48.6	Very low	41.1	Very low	64 Å²	64	118.6 Å²	118.6	39%	0.388	61%	0.614	S	S	.	*			trans	-102.4	103.2	165.7	-178.3	0	0	0	0	107.8	Y18 I39 T42	V7-Y18 HydrophobicContact CG1-CD1 3.98Å; V7-I39 HydrophobicContact CG1-CB 4.35Å; V7-I39 HydrophobicContact CG2-CG2 4.18Å; V7-T42 HydrophobicContact CG2-CG2 3.92Å
8	T	50	Low	41.9	Very low	70 Å²	70	114.2 Å²	114.2	43%	0.429	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.2	114.8	172.7	-55.3	0	0	0	0	108.3	L10 S19	T8-L10 HydrophobicContact CG2-CD2 4.09Å; T8-L10 HydrophobicContact CG2-CG 4.35Å; T8-S19 PolarHBondContact N-O 3.28Å; T8-S19 PolarHBondContact O-N 2.77Å; T8-S19 PolarHBondContact O-OG 2.76Å
9	Q	47.5	Very low	42.6	Very low	119 Å²	119	108.7 Å²	108.7	56%	0.556	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.3	114.9	169.3	-170.3	175	-5.6	0	0	108.3	T11 W17 Y18	Q9-T11 HydrophobicContact CG-CG2 4.49Å; Q9-W17 WeakPolarHBondContact CA-O 3.45Å; Q9-Y18 HydrophobicContact CB-CD1 4.25Å; Q9-Y18 HydrophobicContact CB-CE1 4.11Å; Q9-Y18 HydrophobicContact CG-CD1 4.23Å; Q9-Y18 HydrophobicContact CG-CE1 3.77Å
10	L	46.3	Very low	43.4	Very low	94 Å²	94	103.7 Å²	103.7	49%	0.492	54%	0.535	S	S	.	.			trans	-98.2	122.6	177.3	-68.3	170	0	0	0	108.7	T8 W17	T8-L10 HydrophobicContact CG2-CD2 4.09Å; T8-L10 HydrophobicContact CG2-CG 4.35Å; L10-W17 PolarHBondContact N-O 2.72Å
11	T	44.8	Very low	44	Very low	94 Å²	94	100.6 Å²	100.6	58%	0.577	52%	0.521	S	S	*	.			trans	-134	149.8	172.3	55.4	0	0	0	0	109.8	Q9 W17	Q9-T11 HydrophobicContact CG-CG2 4.49Å; T11-W17 HydrophobicContact CG2-CE3 4.07Å; T11-W17 HydrophobicContact CG2-CZ3 4.05Å
12	P	41.3	Very low	45.5	Very low	107 Å²	107	89 Å²	89	70%	0.695	47%	0.465	S	S	*	.	S	Bend	cis	-129.9	99.1	-13.2	32.4	-10.9	0	0	0	111.7
13	R	41.5	Very low	46.5	Very low	242 Å²	242	87.2 Å²	87.2	91%	0.913	46%	0.458	S	S	*	.	S	Bend	trans	-136.7	75.1	154.2	-73.9	-164.2	-161.7	-164.8	6.6	109.4	T15	R13-T15 PolarHBondContact O-N 3.15Å
14	N	39.4	Very low	47.7	Very low	143 Å²	143	85 Å²	85	77%	0.765	44%	0.443	S	S	*	.	S	Bend	trans	40.4	20.3	146.7	-97	15.5	0	0	0	124.9
15	T	50.4	Low	48.3	Very low	95 Å²	95	80.3 Å²	80.3	58%	0.583	43%	0.429	S	S	*	.	S	Bend	trans	-127.1	-42.2	173.1	-19.1	0	0	0	0	115.3	R13	R13-T15 PolarHBondContact O-N 3.15Å
16	F	46.6	Very low	48.7	Very low	115 Å²	115	85.4 Å²	85.4	50%	0.504	44%	0.441	S	S	.	.			trans	-142	136.4	179.5	-59.4	-79.3	0	0	0	110.6	F34	F16-F34 HydrophobicContact CB-CB 4.12Å; F16-F34 HydrophobicContact CD1-CB 3.97Å; F16-F34 HydrophobicContact CG-CB 3.94Å
17	W	50.9	Low	48.9	Very low	81 Å²	81	87.6 Å²	87.6	31%	0.307	47%	0.468	S	S	.	.	S	Bend	trans	-100.2	-24.6	-171.6	-60.5	106.1	0	0	0	112.9	Q9 L10 T11 S35 K36	Q9-W17 WeakPolarHBondContact CA-O 3.45Å; L10-W17 PolarHBondContact N-O 2.72Å; T11-W17 HydrophobicContact CG2-CE3 4.07Å; T11-W17 HydrophobicContact CG2-CZ3 4.05Å; W17-S35 PolarHBondContact N-O 2.77Å; W17-K36 VanDerWaalsContact CD1-O 3.28Å
18	Y	56	Low	49.4	Very low	38 Å²	38	85.4 Å²	85.4	15%	0.149	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.6	-175	-57.5	-86.7	0	0	0	110.9	V7 Q9 F34 S35 G37 R38 I39	V7-Y18 HydrophobicContact CG1-CD1 3.98Å; Q9-Y18 HydrophobicContact CB-CD1 4.25Å; Q9-Y18 HydrophobicContact CB-CE1 4.11Å; Q9-Y18 HydrophobicContact CG-CD1 4.23Å; Q9-Y18 HydrophobicContact CG-CE1 3.77Å; Y18-F34 WeakPolarHBondContact O-CA 3.39Å; Y18-S35 PolarHBondContact N-O 3.3Å; Y18-S35 VanDerWaalsContact N-O 3.16Å; Y18-S35 PolarHBondContact O-N 3.44Å; Y18-G37 WeakPolarHBondContact CD2-O 3.16Å; Y18-R38 HydrophobicContact CE1-CG 4.46Å; Y18-R38 HydrophobicContact CE2-CB 4.14Å; Y18-R38 HydrophobicContact CE2-CG 4.47Å; Y18-I39 HydrophobicContact CG-CG1 4.29Å
19	S	54.2	Low	49.9	Very low	11 Å²	11	82.2 Å²	82.2	8%	0.077	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.8	176	61.2	0	0	0	0	111.3	T8 V33	T8-S19 PolarHBondContact N-O 3.28Å; T8-S19 PolarHBondContact O-N 2.77Å; T8-S19 PolarHBondContact O-OG 2.76Å; S19-V33 CarbonylContact C-O 3.55Å; S19-V33 VanDerWaalsContact CA-O 3.29Å; S19-V33 WeakPolarHBondContact CA-O 3.22Å
20	Y	58.3	Low	50.9	Low	8 Å²	8	80.1 Å²	80.1	3%	0.031	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	92.8	171.8	-175.2	-108	0	0	0	110	C6 A22 C32 V33 T42 M44	C6-Y20 HydrophobicContact CB-CD2 4.15Å; C6-Y20 HydrophobicContact CB-CE2 4.02Å; C6-Y20 WeakPolarHBondContact O-CD2 3.37Å; Y20-A22 HydrophobicContact CE1-CB 4.32Å; Y20-C32 WeakPolarHBondContact O-CA 3.49Å; Y20-V33 PolarHBondContact N-O 2.77Å; Y20-V33 PolarHBondContact O-N 3.33Å; Y20-V33 VanDerWaalsContact O-N 3.16Å; Y20-T42 HydrophobicContact CD2-CG2 3.57Å; Y20-T42 HydrophobicContact CE2-CG2 3.81Å; Y20-T42 WeakPolarHBondContact CE2-OG1 3.18Å; Y20-T42 HydrophobicContact CG-CG2 4Å; Y20-M44 HydrophobicContact CE1-CE 4.19Å; Y20-M44 HydrophobicContact CE1-CG 3.58Å; Y20-M44 HydrophobicContact CE1-SD 3.78Å; Y20-M44 HydrophobicContact CE2-CE 4.27Å; Y20-M44 WeakPolarHBondContact OH-CE 3.22Å; Y20-M44 WeakPolarHBondContact OH-CG 3.46Å; Y20-M44 PolarHBondContact OH-SD 2.71Å; Y20-M44 VanDerWaalsContact OH-SD 3.4Å
21	P	57	Low	52.1	Low	38 Å²	38	76.6 Å²	76.6	25%	0.247	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.2	171.2	30.9	-29.6	0	0	0	108.8	C6 L23	C6-P21 VanDerWaalsContact SG-CG 3.55Å; P21-L23 HydrophobicContact CB-CG 4.32Å; P21-L23 HydrophobicContact CG-CD1 4.42Å; P21-L23 PolarHBondContact O-N 2.84Å
22	A	55.1	Low	53.8	Low	5 Å²	5	74.7 Å²	74.7	4%	0.041	42%	0.421	C	S	.	.			trans	-82.3	88.4	175.6	0	0	0	0	0	111	Y20 H24 S29 V31 M44 I66	Y20-A22 HydrophobicContact CE1-CB 4.32Å; A22-H24 VanDerWaalsContact C-N 3.35Å; A22-H24 PolarHBondContact O-N 2.84Å; A22-S29 VanDerWaalsContact CB-OG 3.25Å; A22-S29 WeakPolarHBondContact CB-OG 3.44Å; A22-S29 PolarHBondContact O-N 3.15Å; A22-S29 PolarHBondContact O-OG 2.86Å; A22-V31 HydrophobicContact CB-CB 4.45Å; A22-V31 WeakPolarHBondContact CB-O 3.5Å; A22-V31 PolarHBondContact N-O 2.92Å; A22-M44 HydrophobicContact CB-CG 4.33Å; A22-M44 HydrophobicContact CB-SD 3.43Å; A22-M44 WeakPolarHBondContact CB-SD 3.43Å; A22-I66 HydrophobicContact CB-CD1 3.19Å
23	L	50	Low	55.6	Low	121 Å²	121	70 Å²	70	63%	0.634	39%	0.39	S	S	*	.			trans	-84.3	72.7	-177.7	-68.3	164.4	0	0	0	111.1	P21	P21-L23 HydrophobicContact CB-CG 4.32Å; P21-L23 HydrophobicContact CG-CD1 4.42Å; P21-L23 PolarHBondContact O-N 2.84Å
24	H	51.5	Low	57.6	Low	85 Å²	85	64 Å²	64	39%	0.394	37%	0.371	S	S	.	.			trans	-133.6	125.3	168	-68.4	138.8	0	0	0	110.9	A22 G28 S29	A22-H24 VanDerWaalsContact C-N 3.35Å; A22-H24 PolarHBondContact O-N 2.84Å; H24-G28 CarbonylContact O-C 3.6Å; H24-S29 PolarHBondContact O-N 2.81Å; H24-S29 VanDerWaalsContact O-N 3.15Å
25	G	47.4	Very low	59.7	Low	42 Å²	42	57.8 Å²	57.8	43%	0.433	34%	0.339	S	S	.	.	S	Bend	trans	120	159.5	-173.6	0	0	0	0	0	111.9	G27 G28	G25-G27 PolarHBondContact O-N 2.88Å; G25-G27 VanDerWaalsContact O-N 3.1Å; G25-G28 PolarHBondContact O-N 3.3Å; G25-G28 VanDerWaalsContact O-N 3.16Å
26	F	41.3	Very low	61.4	Low	193 Å²	193	60.1 Å²	60.1	85%	0.846	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.2	-177.3	-172	-101.8	0	0	0	112.6	F62	F26-F62 PolarHBondContact N-O 3.2Å
27	G	49.6	Very low	63.2	Low	74 Å²	74	54.9 Å²	54.9	76%	0.763	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	13.6	173.5	0	0	0	0	0	115.1	G25	G25-G27 PolarHBondContact O-N 2.88Å; G25-G27 VanDerWaalsContact O-N 3.1Å
28	G	58	Low	65	Low	18 Å²	18	57.2 Å²	57.2	19%	0.186	33%	0.328	C	S	.	.			trans	74.8	160.8	-166.3	0	0	0	0	0	112.5	H24 G25 G30	H24-G28 CarbonylContact O-C 3.6Å; G25-G28 PolarHBondContact O-N 3.3Å; G25-G28 VanDerWaalsContact O-N 3.16Å; G28-G30 PolarHBondContact O-N 3.25Å
29	S	61.8	Low	66.5	Low	4 Å²	4	55.9 Å²	55.9	3%	0.028	32%	0.324	C	S	.	.			trans	-77.3	-3.7	-175.1	69.9	0	0	0	0	113.9	A22 H24 V31 G63 G64 I66 H85	A22-S29 VanDerWaalsContact CB-OG 3.25Å; A22-S29 WeakPolarHBondContact CB-OG 3.44Å; A22-S29 PolarHBondContact O-N 3.15Å; A22-S29 PolarHBondContact O-OG 2.86Å; H24-S29 PolarHBondContact O-N 2.81Å; H24-S29 VanDerWaalsContact O-N 3.15Å; S29-V31 PolarHBondContact O-N 3.34Å; S29-V31 PolarHBondContact OG-N 2.82Å; S29-G63 WeakPolarHBondContact CA-O 3.03Å; S29-G64 WeakPolarHBondContact CB-O 3.38Å; S29-I66 WeakPolarHBondContact OG-CD1 3.44Å; S29-H85 PolarHBondContact O-ND1 2.79Å
30	G	66.8	Low	68	Low	74 Å²	74	61.7 Å²	61.7	76%	0.763	34%	0.344	S	S	*	.	S	Bend	trans	73.3	1.3	-174.9	0	0	0	0	0	114.6	G28	G28-G30 PolarHBondContact O-N 3.25Å
31	V	72.4	Confident	69.3	Low	20 Å²	20	66.1 Å²	66.1	12%	0.121	37%	0.365	C	S	.	.			trans	-100.9	124.8	-179.5	-176.3	0	0	0	0	110.4	A22 S29 A83 H85	A22-V31 HydrophobicContact CB-CB 4.45Å; A22-V31 WeakPolarHBondContact CB-O 3.5Å; A22-V31 PolarHBondContact N-O 2.92Å; S29-V31 PolarHBondContact O-N 3.34Å; S29-V31 PolarHBondContact OG-N 2.82Å; V31-A83 HydrophobicContact CG1-CB 3.52Å; V31-H85 HydrophobicContact CG2-CB 3.62Å
32	C	79.6	Confident	70.8	Confident	55 Å²	55	65.1 Å²	65.1	37%	0.372	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.1	171.5	-170.4	0	0	0	0	110	Y20 F34	Y20-C32 WeakPolarHBondContact O-CA 3.49Å; C32-F34 HydrophobicContact CB-CE2 4.08Å; C32-F34 HydrophobicContact CB-CZ 4.48Å; C32-F34 VanDerWaalsContact SG-CE2 3.5Å; C32-F34 WeakPolarHBondContact SG-CZ 3.37Å
33	V	80.5	Confident	72.3	Confident	7 Å²	7	67 Å²	67	4%	0.042	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.3	176.2	-177.9	0	0	0	0	109.2	S19 Y20 C70 F81 A83	S19-V33 CarbonylContact C-O 3.55Å; S19-V33 VanDerWaalsContact CA-O 3.29Å; S19-V33 WeakPolarHBondContact CA-O 3.22Å; Y20-V33 PolarHBondContact N-O 2.77Å; Y20-V33 PolarHBondContact O-N 3.33Å; Y20-V33 VanDerWaalsContact O-N 3.16Å; V33-C70 HydrophobicContact CG1-CB 4.31Å; V33-F81 HydrophobicContact CB-CE1 4.44Å; V33-F81 HydrophobicContact CG1-CD1 3.69Å; V33-F81 HydrophobicContact CG1-CE1 3.77Å; V33-F81 HydrophobicContact CG2-CD1 3.96Å; V33-F81 HydrophobicContact CG2-CE1 3.82Å; V33-A83 HydrophobicContact CG2-CB 3.72Å
34	F	83.1	Confident	74	Confident	117 Å²	117	63.3 Å²	63.3	51%	0.513	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.2	172	-63.1	-82.4	0	0	0	109.7	F16 Y18 C32	F16-F34 HydrophobicContact CB-CB 4.12Å; F16-F34 HydrophobicContact CD1-CB 3.97Å; F16-F34 HydrophobicContact CG-CB 3.94Å; Y18-F34 WeakPolarHBondContact O-CA 3.39Å; C32-F34 HydrophobicContact CB-CE2 4.08Å; C32-F34 HydrophobicContact CB-CZ 4.48Å; C32-F34 VanDerWaalsContact SG-CE2 3.5Å; C32-F34 WeakPolarHBondContact SG-CZ 3.37Å
35	S	84.3	Confident	75.7	Confident	13 Å²	13	62.5 Å²	62.5	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.4	179.5	-171.7	0	0	0	0	112.6	W17 Y18 G37 I72	W17-S35 PolarHBondContact N-O 2.77Å; Y18-S35 PolarHBondContact N-O 3.3Å; Y18-S35 VanDerWaalsContact N-O 3.16Å; Y18-S35 PolarHBondContact O-N 3.44Å; S35-G37 PolarHBondContact OG-N 3.08Å; S35-G37 PolarHBondContact OG-O 3.08Å; S35-I72 WeakPolarHBondContact OG-CG2 3.47Å
36	K	85.2	Confident	77.4	Confident	144 Å²	144	67.4 Å²	67.4	63%	0.626	35%	0.349	S	S	*	.	S	Bend	trans	-80.1	-29.1	165.6	-171	-179.5	179	-178.9	0	111.3	W17	W17-K36 VanDerWaalsContact CD1-O 3.28Å
37	G	85.1	Confident	79.6	Confident	4 Å²	4	58.3 Å²	58.3	4%	0.041	31%	0.309	C	S	.	.	S	Bend	trans	-77.5	159.5	175.4	0	0	0	0	0	111.7	Y18 S35 I39 E73	Y18-G37 WeakPolarHBondContact CD2-O 3.16Å; S35-G37 PolarHBondContact OG-N 3.08Å; S35-G37 PolarHBondContact OG-O 3.08Å; G37-I39 PolarHBondContact O-N 3.42Å; G37-E73 CarbonylContact C-O 3.39Å; G37-E73 WeakPolarHBondContact CA-O 3.43Å
38	R	87.5	Confident	81.1	Confident	131 Å²	131	59.3 Å²	59.3	49%	0.494	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	119.5	177.8	-178.1	171.8	68.3	160.2	-0.1	109.8	Y18 R40 I72 E73	Y18-R38 HydrophobicContact CE1-CG 4.46Å; Y18-R38 HydrophobicContact CE2-CB 4.14Å; Y18-R38 HydrophobicContact CE2-CG 4.47Å; R38-R40 PolarHBondContact O-N 3.01Å; R38-I72 WeakPolarHBondContact O-CA 3.31Å; R38-E73 IonicContact CZ-OE2 2.73Å; R38-E73 PolarHBondContact N-O 3.1Å; R38-E73 IonicContact NE-OE2 3.74Å; R38-E73 PolarHBondContact NE-OE2 3.45Å; R38-E73 VanDerWaalsContact NE-OE2 3.15Å; R38-E73 IonicContact NH2-OE1 2.76Å; R38-E73 IonicContact NH2-OE2 3.81Å; R38-E73 PolarHBondContact NH2-OE2 3.15Å; R38-E73 PolarHBondContact O-N 3.14Å
39	I	87.1	Confident	82	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	110.8	171.3	-57.9	178.2	0	0	0	107.6	V7 Y18 G37 T42 R71 I72	V7-I39 HydrophobicContact CG1-CB 4.35Å; V7-I39 HydrophobicContact CG2-CG2 4.18Å; Y18-I39 HydrophobicContact CG-CG1 4.29Å; G37-I39 PolarHBondContact O-N 3.42Å; I39-T42 HydrophobicContact CG2-CG2 3.37Å; I39-R71 CarbonylContact C-O 3.55Å; I39-R71 WeakPolarHBondContact CA-O 3.42Å; I39-I72 HydrophobicContact CG1-CG1 4.18Å
40	R	86.6	Confident	82.5	Confident	132 Å²	132	61.5 Å²	61.5	50%	0.498	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-45.7	178.6	-74.8	-168.7	170.7	-162.1	1	111.7	R38 R71 E73	R38-R40 PolarHBondContact O-N 3.01Å; R40-R71 PolarHBondContact N-O 2.71Å; R40-E73 HydrophobicContact CG-CB 4.29Å; R40-E73 IonicContact CZ-OE1 3.56Å; R40-E73 IonicContact CZ-OE2 3.35Å; R40-E73 VanDerWaalsContact NE-CD 3.33Å; R40-E73 IonicContact NE-OE1 3.8Å; R40-E73 IonicContact NE-OE2 3.72Å; R40-E73 PolarHBondContact NE-OE2 2.94Å; R40-E73 IonicContact NH2-OE1 2.69Å; R40-E73 PolarHBondContact NH2-OE1 3.41Å; R40-E73 IonicContact NH2-OE2 3.12Å; R40-E73 PolarHBondContact NH2-OE2 2.6Å; R40-E73 VanDerWaalsContact NH2-OE2 3.12Å
41	E	86.2	Confident	82.4	Confident	101 Å²	101	58.5 Å²	58.5	47%	0.472	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.4	-173.1	-64.3	174.8	156	0	0	109.5	R71	E41-R71 HydrophobicContact CB-CB 4.2Å; E41-R71 PolarHBondContact O-N 3.48Å; E41-R71 IonicContact OE2-CZ 2.61Å; E41-R71 IonicContact OE2-NH1 2.77Å; E41-R71 PolarHBondContact OE2-NH1 3.49Å
42	T	87.4	Confident	81.7	Confident	17 Å²	17	61.5 Å²	61.5	10%	0.104	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.7	172.9	59	0	0	0	0	109.6	V7 Y20 I39 L69	V7-T42 HydrophobicContact CG2-CG2 3.92Å; Y20-T42 HydrophobicContact CD2-CG2 3.57Å; Y20-T42 HydrophobicContact CE2-CG2 3.81Å; Y20-T42 WeakPolarHBondContact CE2-OG1 3.18Å; Y20-T42 HydrophobicContact CG-CG2 4Å; I39-T42 HydrophobicContact CG2-CG2 3.37Å; T42-L69 CarbonylContact C-O 3.55Å; T42-L69 VanDerWaalsContact CA-O 3.23Å; T42-L69 WeakPolarHBondContact CA-O 3.46Å
43	L	87.7	Confident	80.7	Confident	45 Å²	45	61.4 Å²	61.4	24%	0.236	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.3	176.7	180	65.9	0	0	0	108.6	M2 G68 L69 F116 T120	M2-L43 HydrophobicContact CE-CD1 4.09Å; M2-L43 HydrophobicContact SD-CD1 4.09Å; L43-G68 CarbonylContact O-C 3.52Å; L43-G68 WeakPolarHBondContact O-CA 3.49Å; L43-L69 HydrophobicContact CB-CB 4.26Å; L43-L69 HydrophobicContact CB-CD2 4.43Å; L43-L69 PolarHBondContact N-O 2.85Å; L43-L69 PolarHBondContact O-N 3.13Å; L43-F116 HydrophobicContact CB-CZ 4.4Å; L43-F116 HydrophobicContact CD2-CE2 3.7Å; L43-F116 HydrophobicContact CD2-CZ 3.7Å; L43-F116 HydrophobicContact CG-CE2 4.08Å; L43-F116 HydrophobicContact CG-CZ 3.88Å; L43-T120 HydrophobicContact CD2-CG2 3.78Å
44	M	86.1	Confident	79.7	Confident	44 Å²	44	67.6 Å²	67.6	22%	0.217	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.7	172.9	-85.3	175.1	-65.8	0	0	110.1	Y20 A22 I66	Y20-M44 HydrophobicContact CE1-CE 4.19Å; Y20-M44 HydrophobicContact CE1-CG 3.58Å; Y20-M44 HydrophobicContact CE1-SD 3.78Å; Y20-M44 HydrophobicContact CE2-CE 4.27Å; Y20-M44 WeakPolarHBondContact OH-CE 3.22Å; Y20-M44 WeakPolarHBondContact OH-CG 3.46Å; Y20-M44 PolarHBondContact OH-SD 2.71Å; Y20-M44 VanDerWaalsContact OH-SD 3.4Å; A22-M44 HydrophobicContact CB-CG 4.33Å; A22-M44 HydrophobicContact CB-SD 3.43Å; A22-M44 WeakPolarHBondContact CB-SD 3.43Å; M44-I66 HydrophobicContact CG-CD1 4.05Å; M44-I66 HydrophobicContact SD-CD1 4.03Å
45	H	85.7	Confident	78.4	Confident	67 Å²	67	65.1 Å²	65.1	31%	0.31	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.1	167.8	178.9	74.9	0	0	0	109.4	I66 V67 F116	H45-I66 CarbonylContact O-C 3.59Å; H45-I66 WeakPolarHBondContact O-CA 3.13Å; H45-I66 WeakPolarHBondContact O-CB 3.37Å; H45-V67 HydrophobicContact CB-CG1 3.82Å; H45-V67 PolarHBondContact N-O 3.26Å; H45-V67 PolarHBondContact O-N 2.73Å; H45-F116 HydrophobicContact CB-CD2 3.54Å; H45-F116 HydrophobicContact CB-CE2 3.39Å; H45-F116 HydrophobicContact CB-CG 4.31Å; H45-F116 HydrophobicContact CB-CZ 4.04Å; H45-F116 AromaticContact CG-CD2 3.95Å
46	R	84.4	Confident	77	Confident	146 Å²	146	68.8 Å²	68.8	55%	0.551	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.7	173.9	-178.8	-178.7	178.3	-175.9	0.9	108.4	N50 I66	R46-N50 PolarHBondContact NE-ND2 2.9Å; R46-I66 HydrophobicContact CB-CG2 4.07Å; R46-I66 HydrophobicContact CG-CG2 4.23Å
47	Y	85.7	Confident	75.4	Confident	1 Å²	1	70 Å²	70	0%	0.004	34%	0.341	C	S	.	.			trans	-60.6	140.9	175	-67.5	-58	0	0	0	111	L49 N50 K65 I66 V67 T84 Q109 E112 L113	Y47-L49 PolarHBondContact O-N 2.92Å; Y47-N50 PolarHBondContact O-ND2 2.89Å; Y47-K65 HydrophobicContact CD2-CB 3.77Å; Y47-K65 HydrophobicContact CE2-CB 4.44Å; Y47-K65 PolarHBondContact N-O 2.8Å; Y47-K65 VanDerWaalsContact N-O 3.15Å; Y47-I66 VanDerWaalsContact CE2-C 3.48Å; Y47-I66 WeakPolarHBondContact CE2-O 3.16Å; Y47-V67 HydrophobicContact CE1-CG1 4.39Å; Y47-T84 PolarHBondContact OH-OG1 3.33Å; Y47-Q109 HydrophobicContact CD1-CB 4.03Å; Y47-Q109 HydrophobicContact CD1-CG 3.99Å; Y47-Q109 HydrophobicContact CD2-CB 4.33Å; Y47-Q109 HydrophobicContact CD2-CG 3.94Å; Y47-Q109 HydrophobicContact CE1-CB 4.16Å; Y47-Q109 VanDerWaalsContact CE1-O 3.25Å; Y47-Q109 WeakPolarHBondContact CE1-O 3.49Å; Y47-Q109 HydrophobicContact CE2-CB 4.46Å; Y47-Q109 HydrophobicContact CG-CB 4.13Å; Y47-Q109 HydrophobicContact CG-CG 3.65Å; Y47-E112 WeakPolarHBondContact CA-OE2 3.34Å; Y47-E112 HydrophobicContact CD1-CB 3.84Å; Y47-E112 WeakPolarHBondContact CD1-OE2 3.49Å; Y47-E112 HydrophobicContact CE1-CB 4.07Å; Y47-L113 HydrophobicContact CE1-CB 4.21Å
48	S	82.2	Confident	74.1	Confident	96 Å²	96	72 Å²	72	67%	0.671	35%	0.349	S	S	*	.	S	Bend	trans	-65.6	-29.7	-177.3	-61.1	0	0	0	0	111.8	E112	S48-E112 WeakPolarHBondContact CB-OE1 3.21Å; S48-E112 PolarHBondContact N-OE1 2.81Å; S48-E112 PolarHBondContact N-OE2 3.01Å; S48-E112 PolarHBondContact OG-OE1 3.12Å
49	L	76.6	Confident	72.4	Confident	57 Å²	57	68.1 Å²	68.1	30%	0.298	35%	0.35	S	S	.	.			trans	-121	103.1	-170.2	-169.6	57.9	0	0	0	110.8	Y47 H105 V108 Q109	Y47-L49 PolarHBondContact O-N 2.92Å; L49-H105 WeakPolarHBondContact CD1-CE1 3.34Å; L49-H105 HydrophobicContact CD2-CB 4.17Å; L49-H105 HydrophobicContact CG-CB 4.26Å; L49-H105 VanDerWaalsContact CG-CE1 3.5Å; L49-H105 WeakPolarHBondContact CG-CE1 3.34Å; L49-H105 VanDerWaalsContact CG-ND1 3.28Å; L49-H105 WeakPolarHBondContact CG-ND1 3.48Å; L49-V108 HydrophobicContact CB-CG1 4.32Å; L49-V108 HydrophobicContact CD2-CB 4.42Å; L49-V108 HydrophobicContact CD2-CG2 4.39Å; L49-Q109 PolarHBondContact O-NE2 3.03Å
50	N	71.6	Confident	70.9	Confident	10 Å²	10	69.4 Å²	69.4	5%	0.053	36%	0.357	C	S	.	.			trans	-120.5	55	-169.8	-82.7	-49.7	0	0	0	112.6	R46 Y47 W61 K65	R46-N50 PolarHBondContact NE-ND2 2.9Å; Y47-N50 PolarHBondContact O-ND2 2.89Å; N50-W61 WeakPolarHBondContact O-CA 3.13Å; N50-K65 WeakPolarHBondContact OD1-CA 2.91Å; N50-K65 WeakPolarHBondContact OD1-CB 3.07Å; N50-K65 PolarHBondContact OD1-N 2.91Å; N50-K65 PolarHBondContact OD1-O 2.78Å
51	G	66.3	Low	69.5	Low	11 Å²	11	67.6 Å²	67.6	11%	0.113	35%	0.35	C	S	.	.	S	Bend	trans	72	-173.8	-174.5	0	0	0	0	0	114.3	H105	G51-H105 WeakPolarHBondContact CA-ND1 3.21Å; G51-H105 PolarHBondContact N-ND1 2.75Å
52	Y	58.1	Low	67.8	Low	83 Å²	83	66.7 Å²	66.7	33%	0.325	35%	0.345	S	S	.	.			trans	-102.9	125.6	-176.3	-68.7	-75.5	0	0	0	111.7	H54 H55 W61 Y102 H105	Y52-H54 AromaticContact CD1-CE1 3.67Å; Y52-H54 AromaticContact CG-CE1 3.87Å; Y52-H54 PolarHBondContact O-N 3.4Å; Y52-H55 PolarHBondContact O-N 3.45Å; Y52-W61 VanDerWaalsContact C-CD1 3.46Å; Y52-Y102 AromaticContact CD2-CE1 3.86Å; Y52-Y102 HydrophobicContact CD2-CE1 3.86Å; Y52-Y102 HydrophobicContact CE2-CE1 4.24Å; Y52-H105 AromaticContact CE1-NE2 3.85Å; Y52-H105 AromaticContact CE2-NE2 3.41Å; Y52-H105 WeakPolarHBondContact CE2-NE2 3.46Å; Y52-H105 AromaticContact CZ-NE2 3.28Å; Y52-H105 VanDerWaalsContact CZ-NE2 3.28Å; Y52-H105 PolarHBondContact OH-NE2 3.28Å
53	A	57.3	Low	66.4	Low	54 Å²	54	66.9 Å²	66.9	45%	0.446	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.8	-176.4	0	0	0	0	0	115	H55 W61	A53-H55 VanDerWaalsContact C-N 3.3Å; A53-W61 VanDerWaalsContact CA-NE1 3.26Å; A53-W61 HydrophobicContact CB-CD2 4.23Å; A53-W61 HydrophobicContact CB-CH2 4.17Å; A53-W61 HydrophobicContact CB-CZ2 3.36Å
54	H	59.6	Low	65.3	Low	137 Å²	137	64.8 Å²	64.8	63%	0.634	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.1	-179.9	56.4	-89.5	0	0	0	112.9	Y52 V56	Y52-H54 AromaticContact CD1-CE1 3.67Å; Y52-H54 AromaticContact CG-CE1 3.87Å; Y52-H54 PolarHBondContact O-N 3.4Å; H54-V56 VanDerWaalsContact C-N 3.31Å; H54-V56 PolarHBondContact O-N 3.37Å; H54-V56 VanDerWaalsContact O-N 3.16Å
55	H	56.9	Low	64.9	Low	64 Å²	64	62.9 Å²	62.9	30%	0.296	33%	0.33	S	S	.	.			trans	-89.9	68.1	176	-83	-77.9	0	0	0	110.6	Y52 A53 H57 H58	Y52-H55 PolarHBondContact O-N 3.45Å; A53-H55 VanDerWaalsContact C-N 3.3Å; H55-H57 PolarHBondContact O-N 3.21Å; H55-H57 VanDerWaalsContact O-N 3.08Å; H55-H58 HydrophobicContact CB-CB 4.14Å; H55-H58 VanDerWaalsContact CB-ND1 3.35Å; H55-H58 WeakPolarHBondContact CB-ND1 3.36Å; H55-H58 AromaticContact CG-ND1 3.46Å; H55-H58 AromaticContact ND1-CE1 3.54Å; H55-H58 AromaticContact ND1-ND1 3.28Å; H55-H58 PolarHBondContact ND1-ND1 3.36Å; H55-H58 PolarHBondContact O-N 3.4Å
56	V	54.3	Low	64.8	Low	91 Å²	91	59.7 Å²	59.7	55%	0.552	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.3	-179.8	-174.2	0	0	0	0	112.3	H54 H58 F62	H54-V56 VanDerWaalsContact C-N 3.31Å; H54-V56 PolarHBondContact O-N 3.37Å; H54-V56 VanDerWaalsContact O-N 3.16Å; V56-H58 VanDerWaalsContact C-N 3.31Å; V56-H58 PolarHBondContact O-N 3.4Å; V56-F62 HydrophobicContact CG1-CE2 4.28Å; V56-F62 HydrophobicContact CG1-CZ 4.26Å
57	H	52	Low	64.9	Low	170 Å²	170	52.7 Å²	52.7	79%	0.787	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.4	176.1	-59.4	-66.4	0	0	0	114.3	H55 G59	H55-H57 PolarHBondContact O-N 3.21Å; H55-H57 VanDerWaalsContact O-N 3.08Å; H57-G59 PolarHBondContact O-N 3.02Å
58	H	57.5	Low	65	Low	44 Å²	44	52.8 Å²	52.8	20%	0.204	29%	0.289	C	S	.	.	S	Bend	trans	-95.9	87.6	174.3	-63.1	118.8	0	0	0	108.1	H55 V56 D60 W61 Y102	H55-H58 HydrophobicContact CB-CB 4.14Å; H55-H58 VanDerWaalsContact CB-ND1 3.35Å; H55-H58 WeakPolarHBondContact CB-ND1 3.36Å; H55-H58 AromaticContact CG-ND1 3.46Å; H55-H58 AromaticContact ND1-CE1 3.54Å; H55-H58 AromaticContact ND1-ND1 3.28Å; H55-H58 PolarHBondContact ND1-ND1 3.36Å; H55-H58 PolarHBondContact O-N 3.4Å; V56-H58 VanDerWaalsContact C-N 3.31Å; V56-H58 PolarHBondContact O-N 3.4Å; H58-D60 PolarHBondContact O-N 3.2Å; H58-W61 PolarHBondContact O-N 3.16Å; H58-W61 VanDerWaalsContact O-N 3.11Å; H58-Y102 VanDerWaalsContact CG-OH 3.3Å; H58-Y102 PolarHBondContact ND1-OH 3.49Å; H58-Y102 VanDerWaalsContact ND1-OH 3.12Å
59	G	51.7	Low	65.4	Low	50 Å²	50	48.8 Å²	48.8	52%	0.515	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-57.5	-16.2	-171.7	0	0	0	0	0	115.3	H57 W61 F62	H57-G59 PolarHBondContact O-N 3.02Å; G59-W61 PolarHBondContact O-N 2.9Å; G59-F62 PolarHBondContact O-N 2.78Å; G59-F62 VanDerWaalsContact O-N 3.12Å
60	D	55.5	Low	66.1	Low	38 Å²	38	46 Å²	46	20%	0.203	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-65.9	-19.7	177.4	-117.9	11.9	0	0	0	113.4	H58 F62 G63 K65 Q87 Q88	H58-D60 PolarHBondContact O-N 3.2Å; D60-F62 VanDerWaalsContact C-N 3.27Å; D60-F62 PolarHBondContact O-N 2.75Å; D60-G63 PolarHBondContact O-N 2.89Å; D60-K65 WeakPolarHBondContact OD1-CE 3.23Å; D60-K65 IonicContact OD1-NZ 3.94Å; D60-K65 PolarHBondContact OD1-NZ 2.81Å; D60-K65 WeakPolarHBondContact OD2-CE 3.39Å; D60-K65 IonicContact OD2-NZ 3.15Å; D60-K65 PolarHBondContact OD2-NZ 3.01Å; D60-Q87 VanDerWaalsContact CB-OE1 3.29Å; D60-Q87 PolarHBondContact OD2-NE2 2.82Å; D60-Q87 PolarHBondContact OD2-OE1 3.4Å; D60-Q87 VanDerWaalsContact OD2-OE1 3.11Å; D60-Q88 PolarHBondContact OD2-N 2.97Å
61	W	55.9	Low	67	Low	94 Å²	94	46.1 Å²	46.1	36%	0.356	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-61.1	-37.1	171.4	-176.8	74.5	0	0	0	112.4	N50 Y52 A53 H58 G59 G63	N50-W61 WeakPolarHBondContact O-CA 3.13Å; Y52-W61 VanDerWaalsContact C-CD1 3.46Å; A53-W61 VanDerWaalsContact CA-NE1 3.26Å; A53-W61 HydrophobicContact CB-CD2 4.23Å; A53-W61 HydrophobicContact CB-CH2 4.17Å; A53-W61 HydrophobicContact CB-CZ2 3.36Å; H58-W61 PolarHBondContact O-N 3.16Å; H58-W61 VanDerWaalsContact O-N 3.11Å; G59-W61 PolarHBondContact O-N 2.9Å; W61-G63 VanDerWaalsContact C-N 3.32Å
62	F	52.4	Low	68.2	Low	82 Å²	82	46.1 Å²	46.1	36%	0.36	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.5	-179.7	-64.9	-82.4	0	0	0	112.8	F26 V56 G59 D60 G64	F26-F62 PolarHBondContact N-O 3.2Å; V56-F62 HydrophobicContact CG1-CE2 4.28Å; V56-F62 HydrophobicContact CG1-CZ 4.26Å; G59-F62 PolarHBondContact O-N 2.78Å; G59-F62 VanDerWaalsContact O-N 3.12Å; D60-F62 VanDerWaalsContact C-N 3.27Å; D60-F62 PolarHBondContact O-N 2.75Å; F62-G64 VanDerWaalsContact C-N 3.35Å; F62-G64 PolarHBondContact O-N 3.47Å
63	G	56.8	Low	69.8	Low	20 Å²	20	44.4 Å²	44.4	21%	0.206	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.1	-170.6	0	0	0	0	0	115.6	S29 D60 W61	S29-G63 WeakPolarHBondContact CA-O 3.03Å; D60-G63 PolarHBondContact O-N 2.89Å; W61-G63 VanDerWaalsContact C-N 3.32Å
64	G	64.8	Low	71.3	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.021	24%	0.236	C	C	.	.			trans	46.5	75.7	174.5	0	0	0	0	0	113.6	S29 F62 I66	S29-G64 WeakPolarHBondContact CB-O 3.38Å; F62-G64 VanDerWaalsContact C-N 3.35Å; F62-G64 PolarHBondContact O-N 3.47Å; G64-I66 VanDerWaalsContact O-CG2 3.32Å; G64-I66 WeakPolarHBondContact O-CG2 3.32Å
65	K	77	Confident	72.7	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.013	24%	0.236	C	C	.	.			trans	-64	141.2	-179.8	-53.4	-73.8	171.8	158.9	0	110.7	Y47 N50 D60 H85 Q87	Y47-K65 HydrophobicContact CD2-CB 3.77Å; Y47-K65 HydrophobicContact CE2-CB 4.44Å; Y47-K65 PolarHBondContact N-O 2.8Å; Y47-K65 VanDerWaalsContact N-O 3.15Å; N50-K65 WeakPolarHBondContact OD1-CA 2.91Å; N50-K65 WeakPolarHBondContact OD1-CB 3.07Å; N50-K65 PolarHBondContact OD1-N 2.91Å; N50-K65 PolarHBondContact OD1-O 2.78Å; D60-K65 WeakPolarHBondContact OD1-CE 3.23Å; D60-K65 IonicContact OD1-NZ 3.94Å; D60-K65 PolarHBondContact OD1-NZ 2.81Å; D60-K65 WeakPolarHBondContact OD2-CE 3.39Å; D60-K65 IonicContact OD2-NZ 3.15Å; D60-K65 PolarHBondContact OD2-NZ 3.01Å; K65-H85 VanDerWaalsContact CB-O 3.28Å; K65-H85 WeakPolarHBondContact CB-O 3.33Å; K65-H85 VanDerWaalsContact CD-O 3.25Å; K65-H85 WeakPolarHBondContact CD-O 3.29Å; K65-H85 PolarHBondContact NZ-CE1 2.9Å; K65-H85 PolarHBondContact NZ-NE2 2.93Å; K65-Q87 HydrophobicContact CG-CB 4.17Å
66	I	83.3	Confident	74.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	167.3	-176	72	170.6	0	0	0	111.3	A22 S29 M44 H45 R46 Y47 G64 H85	A22-I66 HydrophobicContact CB-CD1 3.19Å; S29-I66 WeakPolarHBondContact OG-CD1 3.44Å; M44-I66 HydrophobicContact CG-CD1 4.05Å; M44-I66 HydrophobicContact SD-CD1 4.03Å; H45-I66 CarbonylContact O-C 3.59Å; H45-I66 WeakPolarHBondContact O-CA 3.13Å; H45-I66 WeakPolarHBondContact O-CB 3.37Å; R46-I66 HydrophobicContact CB-CG2 4.07Å; R46-I66 HydrophobicContact CG-CG2 4.23Å; Y47-I66 VanDerWaalsContact CE2-C 3.48Å; Y47-I66 WeakPolarHBondContact CE2-O 3.16Å; G64-I66 VanDerWaalsContact O-CG2 3.32Å; G64-I66 WeakPolarHBondContact O-CG2 3.32Å; I66-H85 PolarHBondContact O-N 3.47Å
67	V	87.5	Confident	76.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.6	154.8	58	0	0	0	0	109.8	H45 Y47 Y82 A83 L113 F116	H45-V67 HydrophobicContact CB-CG1 3.82Å; H45-V67 PolarHBondContact N-O 3.26Å; H45-V67 PolarHBondContact O-N 2.73Å; Y47-V67 HydrophobicContact CE1-CG1 4.39Å; V67-Y82 HydrophobicContact CG2-CD1 4.4Å; V67-A83 WeakPolarHBondContact CA-O 3.19Å; V67-L113 HydrophobicContact CB-CD1 4.02Å; V67-L113 HydrophobicContact CG2-CD1 3.53Å; V67-F116 HydrophobicContact CB-CD1 4.32Å; V67-F116 HydrophobicContact CG1-CB 4.22Å; V67-F116 HydrophobicContact CG1-CD1 3.53Å; V67-F116 HydrophobicContact CG1-CD2 4.33Å; V67-F116 HydrophobicContact CG1-CE1 3.87Å; V67-F116 HydrophobicContact CG1-CG 3.77Å; V67-F116 HydrophobicContact CG1-CZ 4.42Å; V67-F116 HydrophobicContact CG2-CD1 3.77Å; V67-F116 HydrophobicContact CG2-CE1 3.92Å
68	G	88.6	Confident	78.1	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.1	171.8	0	0	0	0	0	110.9	L43 Y82 A83	L43-G68 CarbonylContact O-C 3.52Å; L43-G68 WeakPolarHBondContact O-CA 3.49Å; G68-Y82 CarbonylContact O-C 3.54Å; G68-Y82 WeakPolarHBondContact O-CA 3.33Å; G68-A83 PolarHBondContact N-O 2.99Å; G68-A83 PolarHBondContact O-N 2.75Å
69	L	90.6	Very high	79.8	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.063	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.3	166.2	164.4	62.3	0	0	0	108.9	T42 L43 D80 F81 Y82 F116	T42-L69 CarbonylContact C-O 3.55Å; T42-L69 VanDerWaalsContact CA-O 3.23Å; T42-L69 WeakPolarHBondContact CA-O 3.46Å; L43-L69 HydrophobicContact CB-CB 4.26Å; L43-L69 HydrophobicContact CB-CD2 4.43Å; L43-L69 PolarHBondContact N-O 2.85Å; L43-L69 PolarHBondContact O-N 3.13Å; L69-D80 HydrophobicContact CD1-CB 4.01Å; L69-F81 CarbonylContact C-O 3.55Å; L69-F81 WeakPolarHBondContact CA-O 3.39Å; L69-Y82 HydrophobicContact CB-CD1 3.96Å; L69-Y82 HydrophobicContact CB-CE1 3.81Å; L69-Y82 HydrophobicContact CD1-CD1 4.18Å; L69-Y82 HydrophobicContact CD1-CD2 4.35Å; L69-Y82 HydrophobicContact CD1-CE1 3.77Å; L69-Y82 HydrophobicContact CD1-CE2 3.95Å; L69-Y82 HydrophobicContact CD1-CG 4.46Å; L69-Y82 HydrophobicContact CD2-CE1 4.14Å; L69-Y82 HydrophobicContact CG-CE1 4.11Å; L69-F116 HydrophobicContact CB-CE1 3.91Å; L69-F116 HydrophobicContact CB-CZ 4.16Å
70	C	90.5	Very high	81.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.4	168	-68	0	0	0	0	108.7	V33 I72 F81	V33-C70 HydrophobicContact CG1-CB 4.31Å; C70-I72 HydrophobicContact CB-CD1 4.43Å; C70-I72 HydrophobicContact CB-CG1 4.33Å; C70-F81 HydrophobicContact CB-CB 4.48Å; C70-F81 PolarHBondContact N-O 2.87Å; C70-F81 WeakPolarHBondContact O-CB 3.37Å; C70-F81 PolarHBondContact O-N 2.84Å
71	R	90.7	Very high	83.6	Confident	11 Å²	11	37.3 Å²	37.3	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113	172.8	-178.2	165.8	-76.2	147.3	-1.9	109.5	I39 R40 E41 L78 I79 D80	I39-R71 CarbonylContact C-O 3.55Å; I39-R71 WeakPolarHBondContact CA-O 3.42Å; R40-R71 PolarHBondContact N-O 2.71Å; E41-R71 HydrophobicContact CB-CB 4.2Å; E41-R71 PolarHBondContact O-N 3.48Å; E41-R71 IonicContact OE2-CZ 2.61Å; E41-R71 IonicContact OE2-NH1 2.77Å; E41-R71 PolarHBondContact OE2-NH1 3.49Å; R71-L78 HydrophobicContact CG-CD1 3.68Å; R71-L78 HydrophobicContact CG-CG 4.19Å; R71-I79 WeakPolarHBondContact CA-O 3.05Å; R71-D80 WeakPolarHBondContact CG-OD1 3.18Å; R71-D80 IonicContact CZ-OD1 2.82Å; R71-D80 IonicContact CZ-OD2 2.71Å; R71-D80 IonicContact NE-OD1 3.9Å; R71-D80 PolarHBondContact NE-OD1 2.54Å; R71-D80 IonicContact NE-OD2 3.85Å; R71-D80 IonicContact NH2-OD1 2.73Å; R71-D80 PolarHBondContact NH2-OD1 3.43Å; R71-D80 IonicContact NH2-OD2 3.65Å; R71-D80 PolarHBondContact NH2-OD2 3.15Å
72	I	90.9	Very high	85.3	Confident	11 Å²	11	32.8 Å²	32.8	6%	0.056	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.6	-171.3	-61.8	165	0	0	0	109.2	S35 R38 I39 C70 I79 F81	S35-I72 WeakPolarHBondContact OG-CG2 3.47Å; R38-I72 WeakPolarHBondContact O-CA 3.31Å; I39-I72 HydrophobicContact CG1-CG1 4.18Å; C70-I72 HydrophobicContact CB-CD1 4.43Å; C70-I72 HydrophobicContact CB-CG1 4.33Å; I72-I79 HydrophobicContact CB-CB 4.43Å; I72-I79 PolarHBondContact N-O 3.04Å; I72-I79 PolarHBondContact O-N 3.5Å; I72-F81 HydrophobicContact CD1-CB 3.86Å; I72-F81 HydrophobicContact CD1-CG 4.34Å
73	E	91.2	Very high	87.1	Confident	47 Å²	47	29.3 Å²	29.3	22%	0.22	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.5	170.5	-179.6	179	-154.6	0	0	109.5	G37 R38 R40	G37-E73 CarbonylContact C-O 3.39Å; G37-E73 WeakPolarHBondContact CA-O 3.43Å; R38-E73 IonicContact CZ-OE2 2.73Å; R38-E73 PolarHBondContact N-O 3.1Å; R38-E73 IonicContact NE-OE2 3.74Å; R38-E73 PolarHBondContact NE-OE2 3.45Å; R38-E73 VanDerWaalsContact NE-OE2 3.15Å; R38-E73 IonicContact NH2-OE1 2.76Å; R38-E73 IonicContact NH2-OE2 3.81Å; R38-E73 PolarHBondContact NH2-OE2 3.15Å; R38-E73 PolarHBondContact O-N 3.14Å; R40-E73 HydrophobicContact CG-CB 4.29Å; R40-E73 IonicContact CZ-OE1 3.56Å; R40-E73 IonicContact CZ-OE2 3.35Å; R40-E73 VanDerWaalsContact NE-CD 3.33Å; R40-E73 IonicContact NE-OE1 3.8Å; R40-E73 IonicContact NE-OE2 3.72Å; R40-E73 PolarHBondContact NE-OE2 2.94Å; R40-E73 IonicContact NH2-OE1 2.69Å; R40-E73 PolarHBondContact NH2-OE1 3.41Å; R40-E73 IonicContact NH2-OE2 3.12Å; R40-E73 PolarHBondContact NH2-OE2 2.6Å; R40-E73 VanDerWaalsContact NH2-OE2 3.12Å
74	L	89.3	Confident	88.4	Confident	79 Å²	79	28.5 Å²	28.5	41%	0.414	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	94.2	177.9	-175.1	66.6	0	0	0	109.5	N76 L77 I79	L74-N76 PolarHBondContact O-N 3.28Å; L74-L77 PolarHBondContact N-O 3.22Å; L74-L77 PolarHBondContact O-N 3.01Å; L74-L77 VanDerWaalsContact O-N 3.15Å; L74-I79 HydrophobicContact CB-CD1 4.41Å
75	G	89.1	Confident	89.2	Confident	60 Å²	60	30.8 Å²	30.8	62%	0.619	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	-119.8	-172.9	0	0	0	0	0	110.4
76	N	90.9	Very high	88.9	Confident	167 Å²	167	30.7 Å²	30.7	89%	0.893	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	5	177.5	-64.5	-2.2	0	0	0	113.3	L74	L74-N76 PolarHBondContact O-N 3.28Å
77	L	92.9	Very high	88.2	Confident	86 Å²	86	30.8 Å²	30.8	45%	0.45	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.1	179.8	-65.1	170.9	0	0	0	110.6	L74 I79 D125	L74-L77 PolarHBondContact N-O 3.22Å; L74-L77 PolarHBondContact O-N 3.01Å; L74-L77 VanDerWaalsContact O-N 3.15Å; L77-I79 HydrophobicContact CB-CG1 4.49Å; L77-D125 WeakPolarHBondContact CA-OD2 3.2Å; L77-D125 HydrophobicContact CD2-CB 4.06Å
78	L	93.1	Very high	86.9	Confident	36 Å²	36	34.6 Å²	34.6	19%	0.188	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.4	167.7	-168.1	68.8	0	0	0	109.5	R71 N123 C124 D125 V126	R71-L78 HydrophobicContact CG-CD1 3.68Å; R71-L78 HydrophobicContact CG-CG 4.19Å; L78-N123 WeakPolarHBondContact CD2-O 3.5Å; L78-C124 HydrophobicContact CB-CB 4.31Å; L78-C124 HydrophobicContact CD2-CB 4.11Å; L78-C124 HydrophobicContact CG-CB 4.09Å; L78-C124 WeakPolarHBondContact O-CB 3.28Å; L78-D125 PolarHBondContact N-OD2 3.1Å; L78-D125 PolarHBondContact O-N 3.08Å; L78-V126 PolarHBondContact O-N 3.41Å
79	I	93.4	Very high	85.3	Confident	24 Å²	24	35.1 Å²	35.1	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.9	-175.7	-53.9	173.1	0	0	0	109.1	R71 I72 L74 L77 V126 I128	R71-I79 WeakPolarHBondContact CA-O 3.05Å; I72-I79 HydrophobicContact CB-CB 4.43Å; I72-I79 PolarHBondContact N-O 3.04Å; I72-I79 PolarHBondContact O-N 3.5Å; L74-I79 HydrophobicContact CB-CD1 4.41Å; L77-I79 HydrophobicContact CB-CG1 4.49Å; I79-V126 CarbonylContact C-O 3.6Å; I79-V126 WeakPolarHBondContact CA-O 2.99Å; I79-V126 HydrophobicContact CG1-CB 4.32Å; I79-V126 HydrophobicContact CG2-CB 4.41Å; I79-I128 HydrophobicContact CG2-CD1 3.97Å; I79-I128 HydrophobicContact CG2-CG1 4.26Å
80	D	93.7	Very high	83.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107.2	168.6	-77.1	-4.3	0	0	0	108.9	L69 R71 Y82 Q122 C124 V126 I127 I128	L69-D80 HydrophobicContact CD1-CB 4.01Å; R71-D80 WeakPolarHBondContact CG-OD1 3.18Å; R71-D80 IonicContact CZ-OD1 2.82Å; R71-D80 IonicContact CZ-OD2 2.71Å; R71-D80 IonicContact NE-OD1 3.9Å; R71-D80 PolarHBondContact NE-OD1 2.54Å; R71-D80 IonicContact NE-OD2 3.85Å; R71-D80 IonicContact NH2-OD1 2.73Å; R71-D80 PolarHBondContact NH2-OD1 3.43Å; R71-D80 IonicContact NH2-OD2 3.65Å; R71-D80 PolarHBondContact NH2-OD2 3.15Å; D80-Y82 HydrophobicContact CB-CE2 3.88Å; D80-Q122 PolarHBondContact OD2-N 3.25Å; D80-C124 HydrophobicContact CB-CB 4.43Å; D80-V126 PolarHBondContact N-O 3.25Å; D80-I127 WeakPolarHBondContact O-CA 3.29Å; D80-I128 PolarHBondContact O-N 3.36Å
81	F	92.4	Very high	81	Confident	47 Å²	47	41.6 Å²	41.6	21%	0.206	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.3	-176.9	-171.2	-91	0	0	0	110.7	V33 L69 C70 I72 A83 I128 T130	V33-F81 HydrophobicContact CB-CE1 4.44Å; V33-F81 HydrophobicContact CG1-CD1 3.69Å; V33-F81 HydrophobicContact CG1-CE1 3.77Å; V33-F81 HydrophobicContact CG2-CD1 3.96Å; V33-F81 HydrophobicContact CG2-CE1 3.82Å; L69-F81 CarbonylContact C-O 3.55Å; L69-F81 WeakPolarHBondContact CA-O 3.39Å; C70-F81 HydrophobicContact CB-CB 4.48Å; C70-F81 PolarHBondContact N-O 2.87Å; C70-F81 WeakPolarHBondContact O-CB 3.37Å; C70-F81 PolarHBondContact O-N 2.84Å; I72-F81 HydrophobicContact CD1-CB 3.86Å; I72-F81 HydrophobicContact CD1-CG 4.34Å; F81-A83 HydrophobicContact CD1-CB 4.41Å; F81-A83 HydrophobicContact CE1-CB 3.97Å; F81-I128 HydrophobicContact CD2-CB 3.88Å; F81-I128 HydrophobicContact CD2-CD1 4.26Å; F81-I128 HydrophobicContact CD2-CG2 3.86Å; F81-I128 HydrophobicContact CE2-CB 4.37Å; F81-I128 HydrophobicContact CE2-CG2 3.82Å; F81-T130 HydrophobicContact CE1-CG2 3.93Å; F81-T130 HydrophobicContact CE2-CG2 3.78Å; F81-T130 HydrophobicContact CZ-CG2 3.32Å
82	Y	92.1	Very high	78.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.2	176.9	-62.1	-92.9	0	0	0	109.8	V67 G68 L69 D80 F116 V117 T120 V121 I127 I128 V129 T130	V67-Y82 HydrophobicContact CG2-CD1 4.4Å; G68-Y82 CarbonylContact O-C 3.54Å; G68-Y82 WeakPolarHBondContact O-CA 3.33Å; L69-Y82 HydrophobicContact CB-CD1 3.96Å; L69-Y82 HydrophobicContact CB-CE1 3.81Å; L69-Y82 HydrophobicContact CD1-CD1 4.18Å; L69-Y82 HydrophobicContact CD1-CD2 4.35Å; L69-Y82 HydrophobicContact CD1-CE1 3.77Å; L69-Y82 HydrophobicContact CD1-CE2 3.95Å; L69-Y82 HydrophobicContact CD1-CG 4.46Å; L69-Y82 HydrophobicContact CD2-CE1 4.14Å; L69-Y82 HydrophobicContact CG-CE1 4.11Å; D80-Y82 HydrophobicContact CB-CE2 3.88Å; Y82-F116 AromaticContact CD1-CD1 3.95Å; Y82-F116 HydrophobicContact CD1-CD1 3.95Å; Y82-F116 AromaticContact CD1-CE1 3.85Å; Y82-F116 HydrophobicContact CD1-CE1 3.85Å; Y82-F116 AromaticContact CE1-CD1 3.87Å; Y82-F116 HydrophobicContact CE1-CD1 3.87Å; Y82-F116 AromaticContact CE1-CE1 3.76Å; Y82-F116 HydrophobicContact CE1-CE1 3.76Å; Y82-V117 HydrophobicContact CD1-CG2 3.82Å; Y82-V117 HydrophobicContact CD2-CG2 4.28Å; Y82-V117 HydrophobicContact CE1-CB 4.44Å; Y82-V117 HydrophobicContact CE1-CG2 4Å; Y82-V117 HydrophobicContact CE2-CG1 4.24Å; Y82-V117 HydrophobicContact CE2-CG2 4.44Å; Y82-V117 HydrophobicContact CG-CG2 3.96Å; Y82-T120 WeakPolarHBondContact CE1-OG1 3.41Å; Y82-T120 PolarHBondContact OH-OG1 3.12Å; Y82-V121 HydrophobicContact CE2-CG2 4.27Å; Y82-V121 PolarHBondContact OH-N 2.75Å; Y82-V121 VanDerWaalsContact OH-N 3.13Å; Y82-I127 HydrophobicContact CD2-CG2 4.07Å; Y82-I127 HydrophobicContact CE2-CG2 3.87Å; Y82-I128 PolarHBondContact N-O 3Å; Y82-V129 HydrophobicContact CD2-CG2 4.04Å; Y82-V129 HydrophobicContact CG-CG2 4.29Å; Y82-T130 PolarHBondContact O-N 3Å
83	A	89.5	Confident	76.1	Confident	8 Å²	8	49 Å²	49	7%	0.066	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.2	173.7	0	0	0	0	0	109.5	V31 V33 V67 G68 F81 T130	V31-A83 HydrophobicContact CG1-CB 3.52Å; V33-A83 HydrophobicContact CG2-CB 3.72Å; V67-A83 WeakPolarHBondContact CA-O 3.19Å; G68-A83 PolarHBondContact N-O 2.99Å; G68-A83 PolarHBondContact O-N 2.75Å; F81-A83 HydrophobicContact CD1-CB 4.41Å; F81-A83 HydrophobicContact CE1-CB 3.97Å; A83-T130 CarbonylContact C-O 3.43Å; A83-T130 WeakPolarHBondContact CA-O 3.25Å
84	T	85.9	Confident	74.1	Confident	3 Å²	3	50 Å²	50	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.8	178.6	174.4	0	0	0	0	111.1	Y47 L113 T130 G131 D132 L133	Y47-T84 PolarHBondContact OH-OG1 3.33Å; T84-L113 HydrophobicContact CG2-CD1 4.32Å; T84-L113 HydrophobicContact CG2-CD2 3.74Å; T84-T130 WeakPolarHBondContact CG2-O 3.44Å; T84-T130 PolarHBondContact N-O 3.16Å; T84-G131 CarbonylContact O-C 3.54Å; T84-G131 VanDerWaalsContact O-CA 3.23Å; T84-G131 WeakPolarHBondContact O-CA 3.18Å; T84-D132 PolarHBondContact O-N 3.22Å; T84-D132 VanDerWaalsContact O-N 3.12Å; T84-L133 HydrophobicContact CG2-CD2 3.47Å; T84-L133 VanDerWaalsContact CG2-CD2 3.47Å
85	H	81.1	Confident	72.2	Confident	51 Å²	51	55.5 Å²	55.5	24%	0.236	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	102.7	165	-178.3	-170.9	0	0	0	106.2	S29 V31 K65 I66 D132	S29-H85 PolarHBondContact O-ND1 2.79Å; V31-H85 HydrophobicContact CG2-CB 3.62Å; K65-H85 VanDerWaalsContact CB-O 3.28Å; K65-H85 WeakPolarHBondContact CB-O 3.33Å; K65-H85 VanDerWaalsContact CD-O 3.25Å; K65-H85 WeakPolarHBondContact CD-O 3.29Å; K65-H85 PolarHBondContact NZ-CE1 2.9Å; K65-H85 PolarHBondContact NZ-NE2 2.93Å; I66-H85 PolarHBondContact O-N 3.47Å; H85-D132 IonicContact CD2-OD2 2.72Å; H85-D132 IonicContact NE2-OD2 3.36Å
86	V	70.8	Confident	70.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-77.9	145.9	177.8	178	0	0	0	0	108.3	Q88 R106 Q109 D132 L133 N134	V86-Q88 PolarHBondContact O-N 3.28Å; V86-R106 HydrophobicContact CG1-CB 4.45Å; V86-R106 HydrophobicContact CG1-CG 4.32Å; V86-Q109 HydrophobicContact CG1-CB 4.26Å; V86-D132 PolarHBondContact N-O 3.04Å; V86-L133 VanDerWaalsContact CB-O 3.3Å; V86-L133 WeakPolarHBondContact CB-O 3.36Å; V86-L133 WeakPolarHBondContact CG1-O 3.36Å; V86-L133 HydrophobicContact CG2-CD2 4.27Å; V86-N134 PolarHBondContact O-ND2 2.73Å
87	Q	67.2	Low	69.5	Low	2 Å²	2	55.1 Å²	55.1	1%	0.009	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-51.7	128.6	176.2	176.1	60.4	39	0	0	110.9	D60 K65 R106	D60-Q87 VanDerWaalsContact CB-OE1 3.29Å; D60-Q87 PolarHBondContact OD2-NE2 2.82Å; D60-Q87 PolarHBondContact OD2-OE1 3.4Å; D60-Q87 VanDerWaalsContact OD2-OE1 3.11Å; K65-Q87 HydrophobicContact CG-CB 4.17Å; Q87-R106 WeakPolarHBondContact O-CD 3.22Å; Q87-R106 WeakPolarHBondContact O-CG 3.43Å
88	Q	61.8	Low	68.2	Low	81 Å²	81	57.6 Å²	57.6	38%	0.379	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-80	145.2	170.3	-166.2	-179	2.4	0	0	108.5	D60 V86 G90	D60-Q88 PolarHBondContact OD2-N 2.97Å; V86-Q88 PolarHBondContact O-N 3.28Å; Q88-G90 PolarHBondContact O-N 2.84Å; Q88-G90 VanDerWaalsContact O-N 3.13Å
89	A	54.3	Low	66.9	Low	12 Å²	12	63 Å²	63	10%	0.099	31%	0.307	C	S	.	.			trans	-62.9	114.9	162.9	0	0	0	0	0	108.2
90	G	50.2	Low	65.8	Low	22 Å²	22	63.5 Å²	63.5	23%	0.227	31%	0.31	C	S	.	.	S	Bend	trans	-59.4	146.8	-172.3	0	0	0	0	0	114.5	Q88 H92	Q88-G90 PolarHBondContact O-N 2.84Å; Q88-G90 VanDerWaalsContact O-N 3.13Å; G90-H92 PolarHBondContact O-N 3.44Å
91	I	39.7	Very low	64.8	Low	127 Å²	127	69.6 Å²	69.6	65%	0.651	34%	0.342	S	S	*	.	S	Bend	trans	52.8	-13.9	169.8	-54.4	177.9	0	0	0	117.6
92	H	38.2	Very low	64	Low	132 Å²	132	68 Å²	68	61%	0.611	33%	0.334	S	S	*	.	S	Bend	trans	-135.9	91.7	168	-56.6	85.2	0	0	0	107	G90 E94 Y95	G90-H92 PolarHBondContact O-N 3.44Å; H92-E94 PolarHBondContact O-N 2.8Å; H92-Y95 HydrophobicContact CB-CD2 4.34Å
93	A	42.2	Very low	63.5	Low	45 Å²	45	71.3 Å²	71.3	37%	0.372	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	105.9	169.9	0	0	0	0	0	109.1	Y95	A93-Y95 VanDerWaalsContact C-N 3.29Å; A93-Y95 HydrophobicContact CB-CE2 4.24Å; A93-Y95 WeakPolarHBondContact O-CD2 3.43Å; A93-Y95 WeakPolarHBondContact O-CE2 3.25Å; A93-Y95 VanDerWaalsContact O-CG 3.29Å; A93-Y95 PolarHBondContact O-N 2.64Å
94	E	47.5	Very low	63.1	Low	67 Å²	67	73.9 Å²	73.9	31%	0.313	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	28.5	54.4	173.5	-96	169.7	175.1	0	0	116.2	H92 R106	H92-E94 PolarHBondContact O-N 2.8Å; E94-R106 IonicContact OE1-CZ 3.45Å; E94-R106 IonicContact OE1-NE 3.98Å; E94-R106 IonicContact OE1-NH2 2.71Å; E94-R106 PolarHBondContact OE1-NH2 3.43Å
95	Y	50.2	Low	63	Low	195 Å²	195	73.9 Å²	73.9	77%	0.765	37%	0.369	S	S	*	.			trans	-98	-13.1	176.1	-72.1	-63.3	0	0	0	113.9	H92 A93	H92-Y95 HydrophobicContact CB-CD2 4.34Å; A93-Y95 VanDerWaalsContact C-N 3.29Å; A93-Y95 HydrophobicContact CB-CE2 4.24Å; A93-Y95 WeakPolarHBondContact O-CD2 3.43Å; A93-Y95 WeakPolarHBondContact O-CE2 3.25Å; A93-Y95 VanDerWaalsContact O-CG 3.29Å; A93-Y95 PolarHBondContact O-N 2.64Å
96	D	57.6	Low	63.1	Low	71 Å²	71	71.6 Å²	71.6	38%	0.38	36%	0.359	S	S	.	.			trans	-135	94.7	170.7	-164.7	-4.2	0	0	0	111.9	N98 H99	D96-N98 PolarHBondContact O-N 3.27Å; D96-N98 VanDerWaalsContact O-N 3.08Å; D96-N98 VanDerWaalsContact OD1-CB 3.23Å; D96-N98 WeakPolarHBondContact OD1-CB 3.49Å; D96-N98 PolarHBondContact OD1-N 2.91Å; D96-N98 PolarHBondContact OD1-ND2 3.27Å; D96-H99 PolarHBondContact O-N 2.85Å; D96-H99 IonicContact OD1-ND1 2.75Å; D96-H99 IonicContact OD2-CE1 3.61Å; D96-H99 IonicContact OD2-CG 3.08Å; D96-H99 IonicContact OD2-ND1 3.12Å; D96-H99 PolarHBondContact OD2-ND1 2.91Å
97	R	65.3	Low	63.9	Low	148 Å²	148	74.2 Å²	74.2	56%	0.558	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.9	173.8	-63.2	-178.3	83	140.1	3.5	112.6	E136 C138 D139	R97-E136 IonicContact CZ-OE2 3.97Å; R97-E136 IonicContact NH1-OE2 2.74Å; R97-E136 PolarHBondContact NH1-OE2 2.93Å; R97-E136 IonicContact NH2-OE2 3.01Å; R97-C138 PolarHBondContact NH2-SG 2.92Å; R97-D139 IonicContact CZ-OD1 3.59Å; R97-D139 IonicContact NH2-OD1 3.77Å; R97-D139 PolarHBondContact NH2-OD1 2.93Å
98	N	65.5	Low	64.9	Low	138 Å²	138	76.7 Å²	76.7	74%	0.738	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-21.3	-178.9	-50.4	-65.4	0	0	0	113.1	D96	D96-N98 PolarHBondContact O-N 3.27Å; D96-N98 VanDerWaalsContact O-N 3.08Å; D96-N98 VanDerWaalsContact OD1-CB 3.23Å; D96-N98 WeakPolarHBondContact OD1-CB 3.49Å; D96-N98 PolarHBondContact OD1-N 2.91Å; D96-N98 PolarHBondContact OD1-ND2 3.27Å
99	H	65.9	Low	66.2	Low	149 Å²	149	72.9 Å²	72.9	69%	0.69	37%	0.369	S	S	*	.	S	Bend	trans	-129.7	45.9	-174.6	-60.1	104.7	0	0	0	112.4	D96 L101	D96-H99 PolarHBondContact O-N 2.85Å; D96-H99 IonicContact OD1-ND1 2.75Å; D96-H99 IonicContact OD2-CE1 3.61Å; D96-H99 IonicContact OD2-CG 3.08Å; D96-H99 IonicContact OD2-ND1 3.12Å; D96-H99 PolarHBondContact OD2-ND1 2.91Å; H99-L101 PolarHBondContact O-N 3.29Å
100	D	71.4	Confident	67.9	Low	36 Å²	36	72.3 Å²	72.3	19%	0.193	36%	0.364	C	S	.	.			trans	-87.8	93.7	179.2	-175.9	4.2	0	0	0	112.4	Y102 L103 R106	D100-Y102 PolarHBondContact O-N 3.41Å; D100-Y102 WeakPolarHBondContact OD1-CA 3.36Å; D100-Y102 PolarHBondContact OD1-N 3.27Å; D100-L103 HydrophobicContact CB-CB 4.05Å; D100-L103 WeakPolarHBondContact O-CB 3.48Å; D100-L103 PolarHBondContact O-N 3.09Å; D100-L103 PolarHBondContact OD1-N 3.23Å; D100-L103 VanDerWaalsContact OD1-N 3.1Å; D100-L103 WeakPolarHBondContact OD2-CB 3.48Å; D100-R106 VanDerWaalsContact CG-NH1 3.33Å; D100-R106 IonicContact OD1-NH1 3.66Å; D100-R106 PolarHBondContact OD1-NH1 2.99Å; D100-R106 VanDerWaalsContact OD1-NH1 3.12Å; D100-R106 IonicContact OD2-CZ 3.67Å; D100-R106 IonicContact OD2-NH1 2.77Å; D100-R106 PolarHBondContact OD2-NH1 2.81Å; D100-R106 IonicContact OD2-NH2 3.33Å; D100-R106 PolarHBondContact OD2-NH2 3.28Å
101	L	72.9	Confident	69.9	Low	127 Å²	127	76.6 Å²	76.6	67%	0.665	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.7	175.7	-69.8	170.6	0	0	0	113.7	H99	H99-L101 PolarHBondContact O-N 3.29Å
102	Y	74.9	Confident	72.3	Confident	13 Å²	13	72 Å²	72	5%	0.051	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.2	-177.5	-66.2	-77.3	0	0	0	112.8	Y52 H58 D100 S104 H105 R106	Y52-Y102 AromaticContact CD2-CE1 3.86Å; Y52-Y102 HydrophobicContact CD2-CE1 3.86Å; Y52-Y102 HydrophobicContact CE2-CE1 4.24Å; H58-Y102 VanDerWaalsContact CG-OH 3.3Å; H58-Y102 PolarHBondContact ND1-OH 3.49Å; H58-Y102 VanDerWaalsContact ND1-OH 3.12Å; D100-Y102 PolarHBondContact O-N 3.41Å; D100-Y102 WeakPolarHBondContact OD1-CA 3.36Å; D100-Y102 PolarHBondContact OD1-N 3.27Å; Y102-S104 VanDerWaalsContact C-N 3.31Å; Y102-S104 PolarHBondContact O-N 3.34Å; Y102-H105 WeakPolarHBondContact O-CB 3.29Å; Y102-H105 PolarHBondContact O-N 3.49Å; Y102-H105 VanDerWaalsContact O-N 3.08Å; Y102-R106 PolarHBondContact O-N 2.84Å
103	L	80.5	Confident	74.9	Confident	71 Å²	71	65.7 Å²	65.7	37%	0.372	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-45.5	179.3	-177.8	61.4	0	0	0	111.5	D100 H105 R106 I107 W135	D100-L103 HydrophobicContact CB-CB 4.05Å; D100-L103 WeakPolarHBondContact O-CB 3.48Å; D100-L103 PolarHBondContact O-N 3.09Å; D100-L103 PolarHBondContact OD1-N 3.23Å; D100-L103 VanDerWaalsContact OD1-N 3.1Å; D100-L103 WeakPolarHBondContact OD2-CB 3.48Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.22Å; L103-R106 PolarHBondContact O-N 3.41Å; L103-I107 HydrophobicContact CD1-CD1 4.02Å; L103-I107 HydrophobicContact CD1-CG1 4.2Å; L103-I107 HydrophobicContact CD2-CD1 4.42Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.36Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 2.89Å; L103-W135 HydrophobicContact CD1-CH2 3.87Å; L103-W135 HydrophobicContact CD1-CZ3 4Å
104	S	82.9	Confident	77.3	Confident	62 Å²	62	63.8 Å²	63.8	43%	0.434	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-39	177.1	56.9	0	0	0	0	112.1	Y102 V108	Y102-S104 VanDerWaalsContact C-N 3.31Å; Y102-S104 PolarHBondContact O-N 3.34Å; S104-V108 WeakPolarHBondContact O-CB 3.32Å; S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.48Å; S104-V108 PolarHBondContact O-N 3.25Å
105	H	82.9	Confident	79.5	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-50.2	174.8	-68.1	-119.5	0	0	0	110.8	L49 G51 Y52 Y102 L103 I107 V108 Q109	L49-H105 WeakPolarHBondContact CD1-CE1 3.34Å; L49-H105 HydrophobicContact CD2-CB 4.17Å; L49-H105 HydrophobicContact CG-CB 4.26Å; L49-H105 VanDerWaalsContact CG-CE1 3.5Å; L49-H105 WeakPolarHBondContact CG-CE1 3.34Å; L49-H105 VanDerWaalsContact CG-ND1 3.28Å; L49-H105 WeakPolarHBondContact CG-ND1 3.48Å; G51-H105 WeakPolarHBondContact CA-ND1 3.21Å; G51-H105 PolarHBondContact N-ND1 2.75Å; Y52-H105 AromaticContact CE1-NE2 3.85Å; Y52-H105 AromaticContact CE2-NE2 3.41Å; Y52-H105 WeakPolarHBondContact CE2-NE2 3.46Å; Y52-H105 AromaticContact CZ-NE2 3.28Å; Y52-H105 VanDerWaalsContact CZ-NE2 3.28Å; Y52-H105 PolarHBondContact OH-NE2 3.28Å; Y102-H105 WeakPolarHBondContact O-CB 3.29Å; Y102-H105 PolarHBondContact O-N 3.49Å; Y102-H105 VanDerWaalsContact O-N 3.08Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.22Å; H105-I107 PolarHBondContact O-N 3.15Å; H105-V108 PolarHBondContact O-N 3.07Å; H105-Q109 WeakPolarHBondContact O-CB 3.4Å; H105-Q109 WeakPolarHBondContact O-CG 3.36Å; H105-Q109 PolarHBondContact O-N 3.17Å
106	R	83.1	Confident	81.5	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.011	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-41.2	-179.6	-62.9	-157.6	-57.8	-69.6	8.7	111.9	V86 Q87 E94 D100 Y102 L103 Q109 A110 W135	V86-R106 HydrophobicContact CG1-CB 4.45Å; V86-R106 HydrophobicContact CG1-CG 4.32Å; Q87-R106 WeakPolarHBondContact O-CD 3.22Å; Q87-R106 WeakPolarHBondContact O-CG 3.43Å; E94-R106 IonicContact OE1-CZ 3.45Å; E94-R106 IonicContact OE1-NE 3.98Å; E94-R106 IonicContact OE1-NH2 2.71Å; E94-R106 PolarHBondContact OE1-NH2 3.43Å; D100-R106 VanDerWaalsContact CG-NH1 3.33Å; D100-R106 IonicContact OD1-NH1 3.66Å; D100-R106 PolarHBondContact OD1-NH1 2.99Å; D100-R106 VanDerWaalsContact OD1-NH1 3.12Å; D100-R106 IonicContact OD2-CZ 3.67Å; D100-R106 IonicContact OD2-NH1 2.77Å; D100-R106 PolarHBondContact OD2-NH1 2.81Å; D100-R106 IonicContact OD2-NH2 3.33Å; D100-R106 PolarHBondContact OD2-NH2 3.28Å; Y102-R106 PolarHBondContact O-N 2.84Å; L103-R106 PolarHBondContact O-N 3.41Å; R106-Q109 PolarHBondContact O-N 2.98Å; R106-A110 WeakPolarHBondContact O-CB 3.47Å; R106-A110 PolarHBondContact O-N 3.46Å; R106-W135 HydrophobicContact CB-CH2 3.7Å; R106-W135 HydrophobicContact CB-CZ2 3.35Å; R106-W135 WeakPolarHBondContact O-CZ2 3.11Å
107	I	87.7	Confident	83.2	Confident	54 Å²	54	52 Å²	52	28%	0.277	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-46.1	178	-69.1	173.6	0	0	0	110.6	L103 H105 Q109 A110 F111 W135 M144	L103-I107 HydrophobicContact CD1-CD1 4.02Å; L103-I107 HydrophobicContact CD1-CG1 4.2Å; L103-I107 HydrophobicContact CD2-CD1 4.42Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.36Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 2.89Å; H105-I107 PolarHBondContact O-N 3.15Å; I107-Q109 VanDerWaalsContact C-N 3.32Å; I107-Q109 PolarHBondContact O-N 3.29Å; I107-A110 PolarHBondContact O-N 3.39Å; I107-F111 WeakPolarHBondContact O-CB 3.45Å; I107-F111 PolarHBondContact O-N 3.49Å; I107-W135 HydrophobicContact CG1-CH2 3.79Å; I107-W135 HydrophobicContact CG1-CZ2 4.2Å; I107-M144 HydrophobicContact CG2-CE 4.37Å; I107-M144 HydrophobicContact CG2-SD 4.23Å
108	V	88.7	Confident	84.5	Confident	55 Å²	55	51 Å²	51	33%	0.333	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-42.6	177.1	170.8	0	0	0	0	110.6	L49 S104 H105 F111 E112	L49-V108 HydrophobicContact CB-CG1 4.32Å; L49-V108 HydrophobicContact CD2-CB 4.42Å; L49-V108 HydrophobicContact CD2-CG2 4.39Å; S104-V108 WeakPolarHBondContact O-CB 3.32Å; S104-V108 VanDerWaalsContact O-CG2 3.26Å; S104-V108 WeakPolarHBondContact O-CG2 3.48Å; S104-V108 PolarHBondContact O-N 3.25Å; H105-V108 PolarHBondContact O-N 3.07Å; V108-F111 PolarHBondContact O-N 3.46Å; V108-E112 HydrophobicContact CG1-CG 4.33Å; V108-E112 WeakPolarHBondContact O-CB 3.26Å; V108-E112 WeakPolarHBondContact O-CG 3.48Å; V108-E112 PolarHBondContact O-N 3.04Å
109	Q	88.8	Confident	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-41.9	175.9	-70.7	179.2	-8.2	0	0	112.5	Y47 L49 V86 H105 R106 I107 F111 E112 L113	Y47-Q109 HydrophobicContact CD1-CB 4.03Å; Y47-Q109 HydrophobicContact CD1-CG 3.99Å; Y47-Q109 HydrophobicContact CD2-CB 4.33Å; Y47-Q109 HydrophobicContact CD2-CG 3.94Å; Y47-Q109 HydrophobicContact CE1-CB 4.16Å; Y47-Q109 VanDerWaalsContact CE1-O 3.25Å; Y47-Q109 WeakPolarHBondContact CE1-O 3.49Å; Y47-Q109 HydrophobicContact CE2-CB 4.46Å; Y47-Q109 HydrophobicContact CG-CB 4.13Å; Y47-Q109 HydrophobicContact CG-CG 3.65Å; L49-Q109 PolarHBondContact O-NE2 3.03Å; V86-Q109 HydrophobicContact CG1-CB 4.26Å; H105-Q109 WeakPolarHBondContact O-CB 3.4Å; H105-Q109 WeakPolarHBondContact O-CG 3.36Å; H105-Q109 PolarHBondContact O-N 3.17Å; R106-Q109 PolarHBondContact O-N 2.98Å; I107-Q109 VanDerWaalsContact C-N 3.32Å; I107-Q109 PolarHBondContact O-N 3.29Å; Q109-F111 VanDerWaalsContact C-N 3.34Å; Q109-E112 PolarHBondContact O-N 2.88Å; Q109-L113 VanDerWaalsContact O-CB 3.29Å; Q109-L113 WeakPolarHBondContact O-CB 3.28Å; Q109-L113 PolarHBondContact O-N 3.38Å
110	A	89.8	Confident	87.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-40.6	175.2	0	0	0	0	0	112	R106 I107 A114 W135 I145	R106-A110 WeakPolarHBondContact O-CB 3.47Å; R106-A110 PolarHBondContact O-N 3.46Å; I107-A110 PolarHBondContact O-N 3.39Å; A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 2.96Å; A110-W135 HydrophobicContact CB-CZ2 4.28Å; A110-I145 HydrophobicContact CB-CD1 4.08Å; A110-I145 HydrophobicContact CB-CG1 4.09Å
111	F	91.6	Very high	88	Confident	113 Å²	113	44.8 Å²	44.8	50%	0.496	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-46.9	174.8	179.4	-98	0	0	0	111.8	I107 V108 Q109 L113 A114 Q115	I107-F111 WeakPolarHBondContact O-CB 3.45Å; I107-F111 PolarHBondContact O-N 3.49Å; V108-F111 PolarHBondContact O-N 3.46Å; Q109-F111 VanDerWaalsContact C-N 3.34Å; F111-L113 VanDerWaalsContact C-N 3.32Å; F111-L113 PolarHBondContact O-N 3.21Å; F111-A114 PolarHBondContact O-N 2.8Å; F111-Q115 HydrophobicContact CD1-CG 4.17Å; F111-Q115 HydrophobicContact CE1-CG 3.73Å; F111-Q115 HydrophobicContact CE2-CG 4.19Å; F111-Q115 HydrophobicContact CZ-CG 3.74Å; F111-Q115 WeakPolarHBondContact O-CG 3.39Å; F111-Q115 PolarHBondContact O-N 2.96Å
112	E	91.7	Very high	88.7	Confident	30 Å²	30	44.5 Å²	44.5	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-40.5	176	-75.6	-174.3	154.2	0	0	111.7	Y47 S48 V108 Q109 Q115 F116	Y47-E112 WeakPolarHBondContact CA-OE2 3.34Å; Y47-E112 HydrophobicContact CD1-CB 3.84Å; Y47-E112 WeakPolarHBondContact CD1-OE2 3.49Å; Y47-E112 HydrophobicContact CE1-CB 4.07Å; S48-E112 WeakPolarHBondContact CB-OE1 3.21Å; S48-E112 PolarHBondContact N-OE1 2.81Å; S48-E112 PolarHBondContact N-OE2 3.01Å; S48-E112 PolarHBondContact OG-OE1 3.12Å; V108-E112 HydrophobicContact CG1-CG 4.33Å; V108-E112 WeakPolarHBondContact O-CB 3.26Å; V108-E112 WeakPolarHBondContact O-CG 3.48Å; V108-E112 PolarHBondContact O-N 3.04Å; Q109-E112 PolarHBondContact O-N 2.88Å; E112-Q115 PolarHBondContact O-N 3.34Å; E112-F116 WeakPolarHBondContact O-CB 3.3Å; E112-F116 PolarHBondContact O-N 3.2Å
113	L	91.5	Very high	89.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-49	174	177.5	57.7	0	0	0	111.6	Y47 V67 T84 Q109 F111 Q115 F116 V117 V129 L133 I145	Y47-L113 HydrophobicContact CE1-CB 4.21Å; V67-L113 HydrophobicContact CB-CD1 4.02Å; V67-L113 HydrophobicContact CG2-CD1 3.53Å; T84-L113 HydrophobicContact CG2-CD1 4.32Å; T84-L113 HydrophobicContact CG2-CD2 3.74Å; Q109-L113 VanDerWaalsContact O-CB 3.29Å; Q109-L113 WeakPolarHBondContact O-CB 3.28Å; Q109-L113 PolarHBondContact O-N 3.38Å; F111-L113 VanDerWaalsContact C-N 3.32Å; F111-L113 PolarHBondContact O-N 3.21Å; L113-Q115 VanDerWaalsContact C-N 3.35Å; L113-Q115 PolarHBondContact O-N 2.9Å; L113-F116 PolarHBondContact O-N 3.42Å; L113-V117 HydrophobicContact CD1-CG2 4.14Å; L113-V117 WeakPolarHBondContact O-CG2 3.25Å; L113-V117 PolarHBondContact O-N 3.1Å; L113-V129 HydrophobicContact CD1-CG1 4.44Å; L113-V129 HydrophobicContact CD2-CG1 4.44Å; L113-L133 HydrophobicContact CD2-CD2 3.94Å; L113-I145 HydrophobicContact CD2-CD1 3.81Å; L113-I145 HydrophobicContact CD2-CG1 3.94Å; L113-I145 HydrophobicContact CD2-CG2 4.21Å; L113-I145 HydrophobicContact CG-CG1 4.48Å
114	A	92.7	Very high	89.8	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-43.3	179.4	0	0	0	0	0	111.7	A110 F111 R118 A148	A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 2.96Å; F111-A114 PolarHBondContact O-N 2.8Å; A114-R118 WeakPolarHBondContact O-CB 3.47Å; A114-R118 PolarHBondContact O-N 3.24Å; A114-A148 HydrophobicContact CB-CB 3.87Å
115	Q	93.4	Very high	90.4	Very high	58 Å²	58	51 Å²	51	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-41.2	174	-69.8	-53.9	-60.8	0	0	111.9	F111 E112 L113 R118 N119	F111-Q115 HydrophobicContact CD1-CG 4.17Å; F111-Q115 HydrophobicContact CE1-CG 3.73Å; F111-Q115 HydrophobicContact CE2-CG 4.19Å; F111-Q115 HydrophobicContact CZ-CG 3.74Å; F111-Q115 WeakPolarHBondContact O-CG 3.39Å; F111-Q115 PolarHBondContact O-N 2.96Å; E112-Q115 PolarHBondContact O-N 3.34Å; L113-Q115 VanDerWaalsContact C-N 3.35Å; L113-Q115 PolarHBondContact O-N 2.9Å; Q115-R118 PolarHBondContact O-N 3.34Å; Q115-N119 WeakPolarHBondContact O-CB 3.39Å; Q115-N119 PolarHBondContact O-N 3.11Å; Q115-N119 PolarHBondContact O-ND2 2.74Å
116	F	92.6	Very high	90.9	Very high	21 Å²	21	53.9 Å²	53.9	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-48.9	179.6	-177.1	-101.5	0	0	0	111	L43 H45 V67 L69 Y82 E112 L113 N119 T120	L43-F116 HydrophobicContact CB-CZ 4.4Å; L43-F116 HydrophobicContact CD2-CE2 3.7Å; L43-F116 HydrophobicContact CD2-CZ 3.7Å; L43-F116 HydrophobicContact CG-CE2 4.08Å; L43-F116 HydrophobicContact CG-CZ 3.88Å; H45-F116 HydrophobicContact CB-CD2 3.54Å; H45-F116 HydrophobicContact CB-CE2 3.39Å; H45-F116 HydrophobicContact CB-CG 4.31Å; H45-F116 HydrophobicContact CB-CZ 4.04Å; H45-F116 AromaticContact CG-CD2 3.95Å; V67-F116 HydrophobicContact CB-CD1 4.32Å; V67-F116 HydrophobicContact CG1-CB 4.22Å; V67-F116 HydrophobicContact CG1-CD1 3.53Å; V67-F116 HydrophobicContact CG1-CD2 4.33Å; V67-F116 HydrophobicContact CG1-CE1 3.87Å; V67-F116 HydrophobicContact CG1-CG 3.77Å; V67-F116 HydrophobicContact CG1-CZ 4.42Å; V67-F116 HydrophobicContact CG2-CD1 3.77Å; V67-F116 HydrophobicContact CG2-CE1 3.92Å; L69-F116 HydrophobicContact CB-CE1 3.91Å; L69-F116 HydrophobicContact CB-CZ 4.16Å; Y82-F116 AromaticContact CD1-CD1 3.95Å; Y82-F116 HydrophobicContact CD1-CD1 3.95Å; Y82-F116 AromaticContact CD1-CE1 3.85Å; Y82-F116 HydrophobicContact CD1-CE1 3.85Å; Y82-F116 AromaticContact CE1-CD1 3.87Å; Y82-F116 HydrophobicContact CE1-CD1 3.87Å; Y82-F116 AromaticContact CE1-CE1 3.76Å; Y82-F116 HydrophobicContact CE1-CE1 3.76Å; E112-F116 WeakPolarHBondContact O-CB 3.3Å; E112-F116 PolarHBondContact O-N 3.2Å; L113-F116 PolarHBondContact O-N 3.42Å; F116-N119 PolarHBondContact O-N 3Å; F116-T120 HydrophobicContact CD2-CG2 4.03Å; F116-T120 HydrophobicContact CE1-CG2 4.44Å; F116-T120 HydrophobicContact CE2-CG2 3.81Å; F116-T120 HydrophobicContact CG-CG2 4.42Å; F116-T120 HydrophobicContact CZ-CG2 4.05Å; F116-T120 VanDerWaalsContact O-CB 3.31Å; F116-T120 WeakPolarHBondContact O-CB 3.23Å; F116-T120 VanDerWaalsContact O-CG2 3.22Å; F116-T120 WeakPolarHBondContact O-CG2 3.45Å; F116-T120 PolarHBondContact O-N 3.24Å; F116-T120 VanDerWaalsContact O-N 3.08Å; F116-T120 PolarHBondContact O-OG1 3.16Å
117	V	92.9	Very high	91.3	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-55.4	175.8	173.7	0	0	0	0	109.8	Y82 L113 N119 T120 V121 V129 A148	Y82-V117 HydrophobicContact CD1-CG2 3.82Å; Y82-V117 HydrophobicContact CD2-CG2 4.28Å; Y82-V117 HydrophobicContact CE1-CB 4.44Å; Y82-V117 HydrophobicContact CE1-CG2 4Å; Y82-V117 HydrophobicContact CE2-CG1 4.24Å; Y82-V117 HydrophobicContact CE2-CG2 4.44Å; Y82-V117 HydrophobicContact CG-CG2 3.96Å; L113-V117 HydrophobicContact CD1-CG2 4.14Å; L113-V117 WeakPolarHBondContact O-CG2 3.25Å; L113-V117 PolarHBondContact O-N 3.1Å; V117-N119 VanDerWaalsContact C-N 3.26Å; V117-N119 PolarHBondContact O-N 3.01Å; V117-N119 VanDerWaalsContact O-N 3.14Å; V117-T120 PolarHBondContact O-N 3.36Å; V117-T120 VanDerWaalsContact O-N 3.08Å; V117-T120 PolarHBondContact O-OG1 3.22Å; V117-V121 HydrophobicContact CG1-CG2 3.86Å; V117-V121 WeakPolarHBondContact O-CG2 3.46Å; V117-V121 PolarHBondContact O-N 3.39Å; V117-V129 HydrophobicContact CG1-CG2 4.25Å; V117-V129 HydrophobicContact CG2-CG2 3.87Å; V117-A148 HydrophobicContact CB-CB 4.16Å; V117-A148 HydrophobicContact CG1-CB 4.2Å
118	R	93.2	Very high	91.6	Very high	125 Å²	125	58.1 Å²	58.1	47%	0.472	30%	0.296	S	S	.	.	H	α-helix	trans	-55.4	-38.1	-177.6	-172.3	178.5	-63.5	161.7	1.2	114.1	A114 Q115 T147 A148	A114-R118 WeakPolarHBondContact O-CB 3.47Å; A114-R118 PolarHBondContact O-N 3.24Å; Q115-R118 PolarHBondContact O-N 3.34Å; R118-T147 PolarHBondContact NH2-O 2.74Å; R118-A148 PolarHBondContact NE-O 3.23Å; R118-A148 PolarHBondContact NH2-O 3.44Å
119	N	93.3	Very high	91.8	Very high	122 Å²	122	58 Å²	58	65%	0.652	30%	0.296	S	S	*	.	H	α-helix	trans	-88.7	-10.9	-177	-70.7	-66.3	0	0	0	114.1	Q115 F116 V117	Q115-N119 WeakPolarHBondContact O-CB 3.39Å; Q115-N119 PolarHBondContact O-N 3.11Å; Q115-N119 PolarHBondContact O-ND2 2.74Å; F116-N119 PolarHBondContact O-N 3Å; V117-N119 VanDerWaalsContact C-N 3.26Å; V117-N119 PolarHBondContact O-N 3.01Å; V117-N119 VanDerWaalsContact O-N 3.14Å
120	T	92.5	Very high	91.9	Very high	20 Å²	20	61.1 Å²	61.1	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-114.1	-16.6	-176.8	59.4	0	0	0	0	113.8	L43 Y82 F116 V117 Q122	L43-T120 HydrophobicContact CD2-CG2 3.78Å; Y82-T120 WeakPolarHBondContact CE1-OG1 3.41Å; Y82-T120 PolarHBondContact OH-OG1 3.12Å; F116-T120 HydrophobicContact CD2-CG2 4.03Å; F116-T120 HydrophobicContact CE1-CG2 4.44Å; F116-T120 HydrophobicContact CE2-CG2 3.81Å; F116-T120 HydrophobicContact CG-CG2 4.42Å; F116-T120 HydrophobicContact CZ-CG2 4.05Å; F116-T120 VanDerWaalsContact O-CB 3.31Å; F116-T120 WeakPolarHBondContact O-CB 3.23Å; F116-T120 VanDerWaalsContact O-CG2 3.22Å; F116-T120 WeakPolarHBondContact O-CG2 3.45Å; F116-T120 PolarHBondContact O-N 3.24Å; F116-T120 VanDerWaalsContact O-N 3.08Å; F116-T120 PolarHBondContact O-OG1 3.16Å; V117-T120 PolarHBondContact O-N 3.36Å; V117-T120 VanDerWaalsContact O-N 3.08Å; V117-T120 PolarHBondContact O-OG1 3.22Å; T120-Q122 PolarHBondContact O-N 2.94Å
121	V	90.9	Very high	91.7	Very high	51 Å²	51	63.2 Å²	63.2	31%	0.309	34%	0.336	S	S	.	.			trans	-54.8	128.4	169.8	163.9	0	0	0	0	108.6	Y82 V117 I127	Y82-V121 HydrophobicContact CE2-CG2 4.27Å; Y82-V121 PolarHBondContact OH-N 2.75Å; Y82-V121 VanDerWaalsContact OH-N 3.13Å; V117-V121 HydrophobicContact CG1-CG2 3.86Å; V117-V121 WeakPolarHBondContact O-CG2 3.46Å; V117-V121 PolarHBondContact O-N 3.39Å; V121-I127 HydrophobicContact CB-CD1 4.33Å; V121-I127 HydrophobicContact CG1-CD1 3.63Å; V121-I127 HydrophobicContact CG1-CG1 4.46Å; V121-I127 HydrophobicContact CG2-CD1 3.64Å; V121-I127 HydrophobicContact CG2-CG1 4.19Å; V121-I127 HydrophobicContact CG2-CG2 4.38Å
122	Q	87.8	Confident	91.3	Very high	121 Å²	121	61.3 Å²	61.3	57%	0.565	33%	0.331	S	S	*	.			trans	-120.3	-164.9	170.3	-55.9	179.7	-5	0	0	109.5	D80 T120 C124	D80-Q122 PolarHBondContact OD2-N 3.25Å; T120-Q122 PolarHBondContact O-N 2.94Å; Q122-C124 VanDerWaalsContact C-N 3.26Å; Q122-C124 PolarHBondContact O-N 3.39Å
123	N	88.6	Confident	90.9	Very high	159 Å²	159	61.4 Å²	61.4	85%	0.85	33%	0.333	S	S	*	.	S	Bend	trans	-71.4	79.3	-179.9	-170.6	37.2	0	0	0	111.2	L78	L78-N123 WeakPolarHBondContact CD2-O 3.5Å
124	C	90.2	Very high	90.3	Very high	23 Å²	23	63 Å²	63	16%	0.155	34%	0.341	C	S	.	.			trans	-114.6	156.3	175.7	63.6	0	0	0	0	111.1	L78 D80 Q122 I127	L78-C124 HydrophobicContact CB-CB 4.31Å; L78-C124 HydrophobicContact CD2-CB 4.11Å; L78-C124 HydrophobicContact CG-CB 4.09Å; L78-C124 WeakPolarHBondContact O-CB 3.28Å; D80-C124 HydrophobicContact CB-CB 4.43Å; Q122-C124 VanDerWaalsContact C-N 3.26Å; Q122-C124 PolarHBondContact O-N 3.39Å; C124-I127 WeakPolarHBondContact SG-CG1 3.35Å
125	D	93.6	Very high	89.8	Confident	102 Å²	102	64 Å²	64	55%	0.545	34%	0.344	S	S	.	.	S	Bend	trans	-78.4	-31	179.7	-55.7	-70	0	0	0	112.1	L77 L78	L77-D125 WeakPolarHBondContact CA-OD2 3.2Å; L77-D125 HydrophobicContact CD2-CB 4.06Å; L78-D125 PolarHBondContact N-OD2 3.1Å; L78-D125 PolarHBondContact O-N 3.08Å
126	V	93.4	Very high	89.2	Confident	62 Å²	62	65 Å²	65	38%	0.376	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.3	-175.2	-174.6	0	0	0	0	110.6	L78 I79 D80 I128	L78-V126 PolarHBondContact O-N 3.41Å; I79-V126 CarbonylContact C-O 3.6Å; I79-V126 WeakPolarHBondContact CA-O 2.99Å; I79-V126 HydrophobicContact CG1-CB 4.32Å; I79-V126 HydrophobicContact CG2-CB 4.41Å; D80-V126 PolarHBondContact N-O 3.25Å; V126-I128 HydrophobicContact CG1-CD1 4.32Å; V126-I128 HydrophobicContact CG1-CG1 3.91Å
127	I	93	Very high	88.7	Confident	81 Å²	81	68.8 Å²	68.8	42%	0.415	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.8	171.9	-58.7	162.1	0	0	0	108	D80 Y82 V121 C124 V129	D80-I127 WeakPolarHBondContact O-CA 3.29Å; Y82-I127 HydrophobicContact CD2-CG2 4.07Å; Y82-I127 HydrophobicContact CE2-CG2 3.87Å; V121-I127 HydrophobicContact CB-CD1 4.33Å; V121-I127 HydrophobicContact CG1-CD1 3.63Å; V121-I127 HydrophobicContact CG1-CG1 4.46Å; V121-I127 HydrophobicContact CG2-CD1 3.64Å; V121-I127 HydrophobicContact CG2-CG1 4.19Å; V121-I127 HydrophobicContact CG2-CG2 4.38Å; C124-I127 WeakPolarHBondContact SG-CG1 3.35Å; I127-V129 HydrophobicContact CG2-CG2 4.33Å
128	I	93.1	Very high	88.2	Confident	65 Å²	65	71.7 Å²	71.7	33%	0.333	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.2	176.7	-57.7	178.4	0	0	0	108	I79 D80 F81 Y82 V126 T130	I79-I128 HydrophobicContact CG2-CD1 3.97Å; I79-I128 HydrophobicContact CG2-CG1 4.26Å; D80-I128 PolarHBondContact O-N 3.36Å; F81-I128 HydrophobicContact CD2-CB 3.88Å; F81-I128 HydrophobicContact CD2-CD1 4.26Å; F81-I128 HydrophobicContact CD2-CG2 3.86Å; F81-I128 HydrophobicContact CE2-CB 4.37Å; F81-I128 HydrophobicContact CE2-CG2 3.82Å; Y82-I128 PolarHBondContact N-O 3Å; V126-I128 HydrophobicContact CG1-CD1 4.32Å; V126-I128 HydrophobicContact CG1-CG1 3.91Å; I128-T130 HydrophobicContact CG2-CG2 4.42Å
129	V	92.3	Very high	87.8	Confident	54 Å²	54	66.6 Å²	66.6	33%	0.327	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.7	170.6	-174.4	0	0	0	0	108.4	Y82 L113 V117 I127 I145	Y82-V129 HydrophobicContact CD2-CG2 4.04Å; Y82-V129 HydrophobicContact CG-CG2 4.29Å; L113-V129 HydrophobicContact CD1-CG1 4.44Å; L113-V129 HydrophobicContact CD2-CG1 4.44Å; V117-V129 HydrophobicContact CG1-CG2 4.25Å; V117-V129 HydrophobicContact CG2-CG2 3.87Å; I127-V129 HydrophobicContact CG2-CG2 4.33Å; V129-I145 HydrophobicContact CG1-CG2 4.46Å
130	T	90.9	Very high	87.4	Confident	64 Å²	64	69.3 Å²	69.3	39%	0.393	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	174.8	-174.4	-164.8	0	0	0	0	112.4	F81 Y82 A83 T84 I128	F81-T130 HydrophobicContact CE1-CG2 3.93Å; F81-T130 HydrophobicContact CE2-CG2 3.78Å; F81-T130 HydrophobicContact CZ-CG2 3.32Å; Y82-T130 PolarHBondContact O-N 3Å; A83-T130 CarbonylContact C-O 3.43Å; A83-T130 WeakPolarHBondContact CA-O 3.25Å; T84-T130 WeakPolarHBondContact CG2-O 3.44Å; T84-T130 PolarHBondContact N-O 3.16Å; I128-T130 HydrophobicContact CG2-CG2 4.42Å
131	G	86.5	Confident	87.1	Confident	45 Å²	45	68.3 Å²	68.3	46%	0.464	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119	-166.9	-178.2	0	0	0	0	0	111.7	T84 L133	T84-G131 CarbonylContact O-C 3.54Å; T84-G131 VanDerWaalsContact O-CA 3.23Å; T84-G131 WeakPolarHBondContact O-CA 3.18Å; G131-L133 PolarHBondContact O-N 2.61Å
132	D	84.3	Confident	86.9	Confident	73 Å²	73	69.5 Å²	69.5	39%	0.39	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	102.6	179.6	-175.7	6.6	0	0	0	109.6	T84 H85 V86 N134	T84-D132 PolarHBondContact O-N 3.22Å; T84-D132 VanDerWaalsContact O-N 3.12Å; H85-D132 IonicContact CD2-OD2 2.72Å; H85-D132 IonicContact NE2-OD2 3.36Å; V86-D132 PolarHBondContact N-O 3.04Å; D132-N134 VanDerWaalsContact OD1-CG 3.29Å; D132-N134 PolarHBondContact OD1-N 3.43Å; D132-N134 VanDerWaalsContact OD1-N 3.13Å; D132-N134 PolarHBondContact OD1-ND2 2.71Å; D132-N134 PolarHBondContact OD1-OD1 3.13Å; D132-N134 PolarHBondContact OD2-ND2 3.46Å
133	L	82.8	Confident	87	Confident	32 Å²	32	68.9 Å²	68.9	17%	0.168	37%	0.368	C	S	.	.			trans	-82.4	-21.7	-179.9	-64.3	-175.9	0	0	0	113	T84 V86 L113 G131 W135 Y142 I145	T84-L133 HydrophobicContact CG2-CD2 3.47Å; T84-L133 VanDerWaalsContact CG2-CD2 3.47Å; V86-L133 VanDerWaalsContact CB-O 3.3Å; V86-L133 WeakPolarHBondContact CB-O 3.36Å; V86-L133 WeakPolarHBondContact CG1-O 3.36Å; V86-L133 HydrophobicContact CG2-CD2 4.27Å; L113-L133 HydrophobicContact CD2-CD2 3.94Å; G131-L133 PolarHBondContact O-N 2.61Å; L133-W135 PolarHBondContact O-N 2.82Å; L133-Y142 HydrophobicContact CD1-CD2 4.18Å; L133-Y142 HydrophobicContact CD1-CE2 4.21Å; L133-I145 HydrophobicContact CD1-CD1 4.21Å; L133-I145 HydrophobicContact CD2-CD1 4.01Å
134	N	78.4	Confident	87	Confident	33 Å²	33	64.7 Å²	64.7	18%	0.176	34%	0.344	C	S	.	.			trans	47.2	42.3	-173	-74.6	-62.7	0	0	0	113.4	V86 D132	V86-N134 PolarHBondContact O-ND2 2.73Å; D132-N134 VanDerWaalsContact OD1-CG 3.29Å; D132-N134 PolarHBondContact OD1-N 3.43Å; D132-N134 VanDerWaalsContact OD1-N 3.13Å; D132-N134 PolarHBondContact OD1-ND2 2.71Å; D132-N134 PolarHBondContact OD1-OD1 3.13Å; D132-N134 PolarHBondContact OD2-ND2 3.46Å
135	W	81.3	Confident	86.9	Confident	25 Å²	25	64.4 Å²	64.4	10%	0.095	34%	0.341	C	S	.	.			trans	-131.5	139.5	176	-73	116.5	0	0	0	110.9	L103 R106 I107 A110 L133 D139	L103-W135 HydrophobicContact CD1-CH2 3.87Å; L103-W135 HydrophobicContact CD1-CZ3 4Å; R106-W135 HydrophobicContact CB-CH2 3.7Å; R106-W135 HydrophobicContact CB-CZ2 3.35Å; R106-W135 WeakPolarHBondContact O-CZ2 3.11Å; I107-W135 HydrophobicContact CG1-CH2 3.79Å; I107-W135 HydrophobicContact CG1-CZ2 4.2Å; A110-W135 HydrophobicContact CB-CZ2 4.28Å; L133-W135 PolarHBondContact O-N 2.82Å; W135-D139 HydrophobicContact CD2-CB 4.3Å; W135-D139 HydrophobicContact CE3-CB 3.39Å; W135-D139 HydrophobicContact CZ3-CB 3.84Å
136	E	80.8	Confident	86.8	Confident	81 Å²	81	65 Å²	65	38%	0.379	34%	0.344	S	S	.	.			trans	-77.1	151.5	164.8	-59.8	-175.7	155.7	0	0	110.2	R97 C138 D139 Y142	R97-E136 IonicContact CZ-OE2 3.97Å; R97-E136 IonicContact NH1-OE2 2.74Å; R97-E136 PolarHBondContact NH1-OE2 2.93Å; R97-E136 IonicContact NH2-OE2 3.01Å; E136-C138 PolarHBondContact O-N 3.12Å; E136-C138 PolarHBondContact OE2-SG 3.11Å; E136-C138 VanDerWaalsContact OE2-SG 3.34Å; E136-D139 VanDerWaalsContact CB-OD2 3.3Å; E136-D139 WeakPolarHBondContact CB-OD2 3.45Å; E136-D139 PolarHBondContact N-OD2 3.04Å; E136-D139 WeakPolarHBondContact O-CB 3.48Å; E136-D139 PolarHBondContact O-N 3.24Å; E136-Y142 WeakPolarHBondContact O-CB 3.3Å
137	P	81.9	Confident	86.5	Confident	100 Å²	100	66.7 Å²	66.7	65%	0.649	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.5	177.1	-26.9	35.1	0	0	0	114.8	Y142	P137-Y142 HydrophobicContact CB-CD1 4.31Å; P137-Y142 HydrophobicContact CB-CE1 4.23Å
138	C	83.9	Confident	85.9	Confident	68 Å²	68	65.6 Å²	65.6	46%	0.459	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.9	178.9	71.5	0	0	0	0	113.9	R97 E136 K143	R97-C138 PolarHBondContact NH2-SG 2.92Å; E136-C138 PolarHBondContact O-N 3.12Å; E136-C138 PolarHBondContact OE2-SG 3.11Å; E136-C138 VanDerWaalsContact OE2-SG 3.34Å; C138-K143 PolarHBondContact O-NZ 2.92Å
139	D	84.6	Confident	85.6	Confident	18 Å²	18	65.6 Å²	65.6	10%	0.096	36%	0.359	C	S	.	.	S	Bend	trans	-74.9	153.6	-173.2	-68.5	-43.2	0	0	0	113.1	R97 W135 E136 G141 Y142 K143	R97-D139 IonicContact CZ-OD1 3.59Å; R97-D139 IonicContact NH2-OD1 3.77Å; R97-D139 PolarHBondContact NH2-OD1 2.93Å; W135-D139 HydrophobicContact CD2-CB 4.3Å; W135-D139 HydrophobicContact CE3-CB 3.39Å; W135-D139 HydrophobicContact CZ3-CB 3.84Å; E136-D139 VanDerWaalsContact CB-OD2 3.3Å; E136-D139 WeakPolarHBondContact CB-OD2 3.45Å; E136-D139 PolarHBondContact N-OD2 3.04Å; E136-D139 WeakPolarHBondContact O-CB 3.48Å; E136-D139 PolarHBondContact O-N 3.24Å; D139-G141 VanDerWaalsContact C-N 3.3Å; D139-G141 PolarHBondContact O-N 3.05Å; D139-Y142 PolarHBondContact O-N 3.27Å; D139-K143 PolarHBondContact O-N 3.2Å
140	Y	84.8	Confident	85.2	Confident	178 Å²	178	66.2 Å²	66.2	70%	0.698	36%	0.36	S	S	*	.	H	α-helix	trans	-62.4	-36.4	179.5	-66.4	-70.9	0	0	0	112.6	Y142 K143 M144	Y140-Y142 PolarHBondContact O-N 3.12Å; Y140-K143 PolarHBondContact O-N 2.69Å; Y140-M144 WeakPolarHBondContact O-CG 3.45Å; Y140-M144 PolarHBondContact O-N 3.13Å
141	G	85.8	Confident	84.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-40.4	178.8	0	0	0	0	0	112.9	D139 M144 I145	D139-G141 VanDerWaalsContact C-N 3.3Å; D139-G141 PolarHBondContact O-N 3.05Å; G141-M144 WeakPolarHBondContact O-CB 3.44Å; G141-M144 PolarHBondContact O-N 3.2Å; G141-I145 WeakPolarHBondContact O-CG1 3.35Å; G141-I145 PolarHBondContact O-N 3.16Å; G141-I145 VanDerWaalsContact O-N 3.09Å
142	Y	87.2	Confident	84.8	Confident	75 Å²	75	67.6 Å²	67.6	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-44.1	174.3	-170.4	-103.2	0	0	0	111.6	L133 E136 P137 D139 Y140 M144 I145 L146	L133-Y142 HydrophobicContact CD1-CD2 4.18Å; L133-Y142 HydrophobicContact CD1-CE2 4.21Å; E136-Y142 WeakPolarHBondContact O-CB 3.3Å; P137-Y142 HydrophobicContact CB-CD1 4.31Å; P137-Y142 HydrophobicContact CB-CE1 4.23Å; D139-Y142 PolarHBondContact O-N 3.27Å; Y140-Y142 PolarHBondContact O-N 3.12Å; Y142-M144 VanDerWaalsContact C-N 3.33Å; Y142-M144 PolarHBondContact O-N 3.08Å; Y142-I145 PolarHBondContact O-N 3.43Å; Y142-L146 HydrophobicContact CD1-CD1 3.77Å; Y142-L146 HydrophobicContact CD1-CG 4.17Å; Y142-L146 HydrophobicContact CE1-CD1 3.46Å; Y142-L146 VanDerWaalsContact CE1-CD1 3.46Å; Y142-L146 HydrophobicContact CE1-CD2 4.28Å; Y142-L146 HydrophobicContact CE1-CG 3.91Å; Y142-L146 WeakPolarHBondContact O-CG 2.91Å; Y142-L146 PolarHBondContact O-N 3.49Å
143	K	89.6	Confident	84.8	Confident	109 Å²	109	67.3 Å²	67.3	47%	0.474	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-39.3	175.8	-68.1	174.4	-177.1	166.8	0	112.4	C138 D139 Y140 L146 T147	C138-K143 PolarHBondContact O-NZ 2.92Å; D139-K143 PolarHBondContact O-N 3.2Å; Y140-K143 PolarHBondContact O-N 2.69Å; K143-L146 PolarHBondContact O-N 2.88Å; K143-T147 WeakPolarHBondContact O-CG2 3.19Å; K143-T147 PolarHBondContact O-N 3.08Å; K143-T147 PolarHBondContact O-OG1 2.73Å
144	M	89.1	Confident	85	Confident	70 Å²	70	69.6 Å²	69.6	35%	0.345	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-46.4	175	-74.7	178	168.5	0	0	111.6	I107 Y140 G141 Y142 L146 T147 A148	I107-M144 HydrophobicContact CG2-CE 4.37Å; I107-M144 HydrophobicContact CG2-SD 4.23Å; Y140-M144 WeakPolarHBondContact O-CG 3.45Å; Y140-M144 PolarHBondContact O-N 3.13Å; G141-M144 WeakPolarHBondContact O-CB 3.44Å; G141-M144 PolarHBondContact O-N 3.2Å; Y142-M144 VanDerWaalsContact C-N 3.33Å; Y142-M144 PolarHBondContact O-N 3.08Å; M144-L146 VanDerWaalsContact C-N 3.34Å; M144-L146 PolarHBondContact O-N 2.87Å; M144-T147 PolarHBondContact O-N 2.94Å; M144-T147 VanDerWaalsContact O-N 3.1Å; M144-T147 PolarHBondContact O-OG1 2.86Å; M144-A148 PolarHBondContact O-N 3.18Å
145	I	88.6	Confident	85.4	Confident	18 Å²	18	72.2 Å²	72.2	9%	0.092	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-40.2	179.2	-63.6	162.5	0	0	0	111.2	A110 L113 V129 L133 G141 Y142 T147 A148	A110-I145 HydrophobicContact CB-CD1 4.08Å; A110-I145 HydrophobicContact CB-CG1 4.09Å; L113-I145 HydrophobicContact CD2-CD1 3.81Å; L113-I145 HydrophobicContact CD2-CG1 3.94Å; L113-I145 HydrophobicContact CD2-CG2 4.21Å; L113-I145 HydrophobicContact CG-CG1 4.48Å; V129-I145 HydrophobicContact CG1-CG2 4.46Å; L133-I145 HydrophobicContact CD1-CD1 4.21Å; L133-I145 HydrophobicContact CD2-CD1 4.01Å; G141-I145 WeakPolarHBondContact O-CG1 3.35Å; G141-I145 PolarHBondContact O-N 3.16Å; G141-I145 VanDerWaalsContact O-N 3.09Å; Y142-I145 PolarHBondContact O-N 3.43Å; I145-T147 PolarHBondContact O-N 3.28Å; I145-A148 WeakPolarHBondContact O-CB 3.23Å; I145-A148 PolarHBondContact O-N 2.98Å; I145-A148 VanDerWaalsContact O-N 3.15Å
146	L	89.8	Confident	85.8	Confident	115 Å²	115	75.8 Å²	75.8	60%	0.602	40%	0.397	S	S	*	.	H	α-helix	trans	-63.7	-21.2	175.9	-73	-179.7	0	0	0	114	Y142 K143 M144	Y142-L146 HydrophobicContact CD1-CD1 3.77Å; Y142-L146 HydrophobicContact CD1-CG 4.17Å; Y142-L146 HydrophobicContact CE1-CD1 3.46Å; Y142-L146 VanDerWaalsContact CE1-CD1 3.46Å; Y142-L146 HydrophobicContact CE1-CD2 4.28Å; Y142-L146 HydrophobicContact CE1-CG 3.91Å; Y142-L146 WeakPolarHBondContact O-CG 2.91Å; Y142-L146 PolarHBondContact O-N 3.49Å; K143-L146 PolarHBondContact O-N 2.88Å; M144-L146 VanDerWaalsContact C-N 3.34Å; M144-L146 PolarHBondContact O-N 2.87Å
147	T	87.8	Confident	86.2	Confident	96 Å²	96	75.4 Å²	75.4	59%	0.589	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	0.5	177.8	59.4	0	0	0	0	113.9	R118 K143 M144 I145	R118-T147 PolarHBondContact NH2-O 2.74Å; K143-T147 WeakPolarHBondContact O-CG2 3.19Å; K143-T147 PolarHBondContact O-N 3.08Å; K143-T147 PolarHBondContact O-OG1 2.73Å; M144-T147 PolarHBondContact O-N 2.94Å; M144-T147 VanDerWaalsContact O-N 3.1Å; M144-T147 PolarHBondContact O-OG1 2.86Å; I145-T147 PolarHBondContact O-N 3.28Å
148	A	81.3	Confident	86.6	Confident	58 Å²	58	73.2 Å²	73.2	48%	0.479	38%	0.375	S	S	.	.			trans	-56	0	178.6	0	0	0	0	0	111.2	A114 V117 R118 M144 I145	A114-A148 HydrophobicContact CB-CB 3.87Å; V117-A148 HydrophobicContact CB-CB 4.16Å; V117-A148 HydrophobicContact CG1-CB 4.2Å; R118-A148 PolarHBondContact NE-O 3.23Å; R118-A148 PolarHBondContact NH2-O 3.44Å; M144-A148 PolarHBondContact O-N 3.18Å; I145-A148 WeakPolarHBondContact O-CB 3.23Å; I145-A148 PolarHBondContact O-N 2.98Å; I145-A148 VanDerWaalsContact O-N 3.15Å

Retrieved 148 of 148 residues in 112.7 ms (Link to these results)

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