A0A5K4F4L6_SCHMA Loading...

PHD-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4L6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 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	39.8	Very low	45	Very low	230 Å²	230	143.1 Å²	143.1	100%	1.133	78%	0.777	S	S	*	*				0	109.8	0	-74.9	-97.7	164.6	0	0	107.1
2	L	40.9	Very low	45.3	Very low	155 Å²	155	143 Å²	143	81%	0.812	78%	0.776	S	S	*	*			trans	63.1	88.6	163.2	-66.6	133.5	0	0	0	117.6
3	S	43.1	Very low	45.5	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	76%	0.757	S	S	*	*				90.3	110.8	84.1	-63	0	0	0	0	112.7
4	K	44.8	Very low	46.1	Very low	181 Å²	181	141.8 Å²	141.8	79%	0.787	76%	0.763	S	S	*	*			trans	-78.5	157.8	166.2	-80	-178.6	176.6	-179.9	0	110.7
5	P	40.5	Very low	46.9	Very low	120 Å²	120	142.9 Å²	142.9	78%	0.779	77%	0.765	S	S	*	*			trans	-91.5	120.5	172.8	34	-24.7	0	0	0	109.5
6	D	52	Low	47.2	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	76%	0.756	S	S	*	*			trans	-119.1	95.2	174.9	-68	-44.8	0	0	0	109.7	V8	D6-V8 PolarHBondContact O-N 2.93Å
7	N	43.4	Very low	47.6	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	76%	0.759	S	S	*	*			trans	-73	104	158.1	173.9	12.9	0	0	0	107.7
8	V	46.7	Very low	48	Very low	110 Å²	110	142 Å²	142	67%	0.667	76%	0.764	S	S	*	*			trans	-127.8	93.9	164.9	147.8	0	0	0	0	106.2	D6 T10	D6-V8 PolarHBondContact O-N 2.93Å; V8-T10 HydrophobicContact CG1-CG2 3.5Å; V8-T10 VanDerWaalsContact CG1-CG2 3.5Å; V8-T10 PolarHBondContact O-N 3.35Å
9	L	49.5	Very low	48.3	Very low	160 Å²	160	139.1 Å²	139.1	84%	0.838	75%	0.748	S	S	*	*			trans	-79.3	96.9	156.2	-67.5	176.5	0	0	0	105.8	L11	L9-L11 PolarHBondContact O-N 2.69Å
10	T	43.2	Very low	48.6	Very low	75 Å²	75	135.5 Å²	135.5	46%	0.46	73%	0.733	S	S	.	*			trans	-63.7	118.5	170.5	44.4	0	0	0	0	108.7	V8 D12 S13	V8-T10 HydrophobicContact CG1-CG2 3.5Å; V8-T10 VanDerWaalsContact CG1-CG2 3.5Å; V8-T10 PolarHBondContact O-N 3.35Å; T10-D12 PolarHBondContact O-N 2.94Å; T10-D12 VanDerWaalsContact O-N 3.07Å; T10-S13 PolarHBondContact O-N 3.14Å; T10-S13 PolarHBondContact O-OG 2.96Å; T10-S13 PolarHBondContact OG1-OG 3.15Å; T10-S13 VanDerWaalsContact OG1-OG 3.09Å
11	L	51.1	Low	48.8	Very low	140 Å²	140	133.5 Å²	133.5	73%	0.733	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-62.8	-6.4	174.8	-174.1	58.6	0	0	0	112.8	L9	L9-L11 PolarHBondContact O-N 2.69Å
12	D	49	Very low	49.4	Very low	142 Å²	142	126.4 Å²	126.4	76%	0.759	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-88.7	6.4	-179.4	-61.4	-37.4	0	0	0	114.2	T10	T10-D12 PolarHBondContact O-N 2.94Å; T10-D12 VanDerWaalsContact O-N 3.07Å
13	S	47.6	Very low	50.1	Low	75 Å²	75	122.8 Å²	122.8	52%	0.524	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-105.3	2.4	-177	-42.4	0	0	0	0	114.9	T10	T10-S13 PolarHBondContact O-N 3.14Å; T10-S13 PolarHBondContact O-OG 2.96Å; T10-S13 PolarHBondContact OG1-OG 3.15Å; T10-S13 VanDerWaalsContact OG1-OG 3.09Å
14	F	54.1	Low	50.5	Low	194 Å²	194	122.7 Å²	122.7	85%	0.851	67%	0.671	S	S	*	*	S	Bend	trans	-113.4	10.7	-175.7	-93.1	-86.6	0	0	0	114.7
15	M	57.8	Low	50.6	Low	159 Å²	159	122.1 Å²	122.1	78%	0.783	67%	0.668	S	S	*	*	S	Bend	trans	-116.1	10	-175.3	-66.7	-171	-143.7	0	0	115.3
16	S	51.9	Low	50.9	Low	90 Å²	90	122.5 Å²	122.5	63%	0.629	66%	0.66	S	S	*	*	S	Bend	trans	-113.4	-5.7	-172	56.7	0	0	0	0	117.6
17	D	53.4	Low	50.6	Low	150 Å²	150	125.4 Å²	125.4	80%	0.802	67%	0.669	S	S	*	*			trans	-124.3	23.6	-173.2	-68.1	-32.3	0	0	0	115.3	N19	D17-N19 PolarHBondContact O-N 2.67Å
18	M	55.6	Low	50.9	Low	172 Å²	172	125.2 Å²	125.2	85%	0.847	66%	0.663	S	S	*	*			trans	-79.5	72.1	168	-143	144.5	160.4	0	0	108.8	C20 I23	M18-C20 PolarHBondContact O-N 3.34Å; M18-I23 HydrophobicContact CE-CD1 4.47Å
19	N	52.8	Low	51.2	Low	86 Å²	86	129.6 Å²	129.6	46%	0.46	67%	0.673	S	S	.	*			trans	-61.4	116.6	172.1	-175.2	4.3	0	0	0	108.1	D17 D21 T22	D17-N19 PolarHBondContact O-N 2.67Å; N19-D21 PolarHBondContact ND2-OD2 3.38Å; N19-D21 PolarHBondContact O-N 2.91Å; N19-D21 PolarHBondContact OD1-N 2.75Å; N19-D21 PolarHBondContact OD1-OD2 3.12Å; N19-T22 PolarHBondContact O-N 3.17Å; N19-T22 PolarHBondContact O-OG1 2.95Å
20	C	55.6	Low	52.1	Low	67 Å²	67	129.8 Å²	129.8	45%	0.453	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-50.8	-24.2	176.5	168.5	0	0	0	0	112.2	M18 T22 C43	M18-C20 PolarHBondContact O-N 3.34Å; C20-T22 VanDerWaalsContact C-N 3.28Å; C20-T22 PolarHBondContact O-N 2.78Å; C20-C43 WeakPolarHBondContact CA-SG 3.43Å; C20-C43 HydrophobicContact CB-CB 4.13Å; C20-C43 WeakPolarHBondContact CB-SG 3.42Å; C20-C43 PolarHBondContact O-SG 3.04Å; C20-C43 WeakPolarHBondContact SG-CB 3.5Å; C20-C43 CovalentContact SG-SG 2.06Å; C20-C43 PolarHBondContact SG-SG 2.87Å
21	D	52.1	Low	53.7	Low	94 Å²	94	128.3 Å²	128.3	50%	0.503	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-66.7	-19.2	175.3	-67.9	-39	0	0	0	115.3	N19	N19-D21 PolarHBondContact ND2-OD2 3.38Å; N19-D21 PolarHBondContact O-N 2.91Å; N19-D21 PolarHBondContact OD1-N 2.75Å; N19-D21 PolarHBondContact OD1-OD2 3.12Å
22	T	52.9	Low	55.4	Low	81 Å²	81	125.3 Å²	125.3	50%	0.497	66%	0.663	S	S	.	*	G	3₁₀ helix	trans	-79.7	-28.9	-176.6	-45.2	0	0	0	0	112	N19 C20 C24	N19-T22 PolarHBondContact O-N 3.17Å; N19-T22 PolarHBondContact O-OG1 2.95Å; C20-T22 VanDerWaalsContact C-N 3.28Å; C20-T22 PolarHBondContact O-N 2.78Å; T22-C24 VanDerWaalsContact C-N 3.3Å; T22-C24 PolarHBondContact O-N 3.09Å
23	I	54	Low	57.5	Low	79 Å²	79	123.3 Å²	123.3	41%	0.405	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-23.9	-178.8	-59.3	174.7	0	0	0	110.9	M18 P41	M18-I23 HydrophobicContact CE-CD1 4.47Å; I23-P41 HydrophobicContact CG2-CG 4.47Å
24	C	51.6	Low	59.7	Low	113 Å²	113	119.8 Å²	119.8	76%	0.764	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	4.5	-176.5	-118.6	0	0	0	0	115	T22	T22-C24 VanDerWaalsContact C-N 3.3Å; T22-C24 PolarHBondContact O-N 3.09Å
25	K	48.4	Very low	61.6	Low	169 Å²	169	118.5 Å²	118.5	74%	0.735	62%	0.618	S	S	*	*	S	Bend	trans	-130.2	13.6	-173.5	-73	-175.1	180	170.5	0	116.4
26	Q	45.4	Very low	63.2	Low	129 Å²	129	114.2 Å²	114.2	60%	0.603	60%	0.603	S	S	*	*			trans	-99.9	96.4	167.8	-69.7	-173.7	-21.4	0	0	109.7	E28	Q26-E28 HydrophobicContact CB-CB 4.36Å; Q26-E28 HydrophobicContact CB-CG 4.26Å; Q26-E28 PolarHBondContact O-N 3.27Å
27	E	45.9	Very low	65.2	Low	206 Å²	206	113.5 Å²	113.5	96%	0.963	60%	0.597	S	S	*	*			trans	-68.1	52.4	153.9	-69.4	-174.8	139.9	0	0	109.5
28	E	49.4	Very low	67	Low	139 Å²	139	108.4 Å²	108.4	65%	0.65	58%	0.58	S	S	*	*			trans	-88.4	117.1	169.7	-78.3	-162.3	171.4	0	0	108.4	Q26 D30 G31	Q26-E28 HydrophobicContact CB-CB 4.36Å; Q26-E28 HydrophobicContact CB-CG 4.26Å; Q26-E28 PolarHBondContact O-N 3.27Å; E28-D30 PolarHBondContact O-N 3.37Å; E28-G31 PolarHBondContact O-N 2.75Å
29	K	54.8	Low	68.7	Low	202 Å²	202	101 Å²	101	88%	0.878	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	7.7	-162.1	-145	179	-176.3	177.9	0	115.7
30	D	68.3	Low	70.6	Confident	163 Å²	163	101.2 Å²	101.2	87%	0.872	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.3	35	-174.9	-71	-52.9	0	0	0	113	E28	E28-D30 PolarHBondContact O-N 3.37Å
31	G	75.4	Confident	72.1	Confident	44 Å²	44	99.9 Å²	99.9	45%	0.454	54%	0.544	S	S	.	.			trans	-69.6	160.3	173.6	0	0	0	0	0	113.6	E28 I33	E28-G31 PolarHBondContact O-N 2.75Å; G31-I33 PolarHBondContact O-N 2.91Å
32	P	87.4	Confident	73.8	Confident	77 Å²	77	98.4 Å²	98.4	50%	0.5	54%	0.539	S	S	.	.			trans	-61.2	132.8	175.3	26.3	-32.9	0	0	0	110.3	F47	P32-F47 HydrophobicContact CB-CE2 4.03Å; P32-F47 HydrophobicContact CG-CE2 4.17Å; P32-F47 VanDerWaalsContact O-CE2 3.29Å; P32-F47 WeakPolarHBondContact O-CE2 3.16Å
33	I	92.8	Very high	75.1	Confident	101 Å²	101	97.4 Å²	97.4	52%	0.518	54%	0.535	S	S	.	.			trans	-114.5	152.5	177.3	59.4	172.3	0	0	0	110.6	G31 Y35	G31-I33 PolarHBondContact O-N 2.91Å; I33-Y35 PolarHBondContact O-N 2.86Å
34	C	94.2	Very high	76.4	Confident	1 Å²	1	103 Å²	103	1%	0.007	56%	0.559	C	S	.	*			trans	-62.9	129.2	170.4	176.8	0	0	0	0	110.4	C36 C37 G38 G39 F47 N56 H58	C34-C36 VanDerWaalsContact C-N 3.26Å; C34-C36 PolarHBondContact O-N 2.81Å; C34-C36 PolarHBondContact SG-N 2.89Å; C34-C36 VanDerWaalsContact SG-N 3.41Å; C34-C37 VanDerWaalsContact CB-SG 3.54Å; C34-C37 VanDerWaalsContact SG-SG 3.62Å; C34-G38 WeakPolarHBondContact O-CA 3.29Å; C34-G38 PolarHBondContact O-N 2.83Å; C34-G39 WeakPolarHBondContact CB-O 3.46Å; C34-G39 PolarHBondContact N-O 3.44Å; C34-F47 HydrophobicContact CB-CE1 3.87Å; C34-F47 HydrophobicContact CB-CZ 4.49Å; C34-N56 WeakPolarHBondContact CA-O 3.25Å; C34-H58 WeakPolarHBondContact CB-ND1 3.47Å; C34-H58 PolarHBondContact SG-N 2.99Å; C34-H58 VanDerWaalsContact SG-N 3.44Å; C34-H58 PolarHBondContact SG-ND1 3.16Å
35	Y	93.2	Very high	78.1	Confident	166 Å²	166	99.6 Å²	99.6	65%	0.651	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.7	177.2	176.2	-103.6	0	0	0	112.9	I33 L55 N56	I33-Y35 PolarHBondContact O-N 2.86Å; Y35-L55 HydrophobicContact CD1-CD1 3.8Å; Y35-L55 HydrophobicContact CD1-CD2 4.42Å; Y35-L55 HydrophobicContact CD1-CG 4.48Å; Y35-L55 HydrophobicContact CD2-CD1 3.79Å; Y35-L55 HydrophobicContact CD2-CG 4.41Å; Y35-L55 HydrophobicContact CE1-CD1 4.23Å; Y35-L55 HydrophobicContact CE2-CD1 4.23Å; Y35-L55 HydrophobicContact CG-CD1 3.55Å; Y35-L55 HydrophobicContact CG-CD2 4.24Å; Y35-L55 HydrophobicContact CG-CG 3.98Å; Y35-N56 WeakPolarHBondContact CB-O 3.29Å; Y35-N56 PolarHBondContact N-O 3.12Å
36	C	92.7	Very high	79.9	Confident	69 Å²	69	94.4 Å²	94.4	47%	0.466	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-43.6	-177	-61.6	0	0	0	0	113.3	C34 C61	C34-C36 VanDerWaalsContact C-N 3.26Å; C34-C36 PolarHBondContact O-N 2.81Å; C34-C36 PolarHBondContact SG-N 2.89Å; C34-C36 VanDerWaalsContact SG-N 3.41Å; C36-C61 HydrophobicContact CB-CB 3.65Å
37	C	93.5	Very high	82.2	Confident	76 Å²	76	89.6 Å²	89.6	51%	0.514	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-11.4	-172.3	73.6	0	0	0	0	114.8	C34 G39 H58	C34-C37 VanDerWaalsContact CB-SG 3.54Å; C34-C37 VanDerWaalsContact SG-SG 3.62Å; C37-G39 PolarHBondContact O-N 2.7Å; C37-G39 PolarHBondContact SG-N 3.46Å; C37-H58 PolarHBondContact SG-ND1 3.42Å; C37-H58 VanDerWaalsContact SG-ND1 3.45Å
38	G	91.9	Very high	84.4	Confident	42 Å²	42	80 Å²	80	43%	0.433	45%	0.453	S	S	.	.			trans	72.8	3.9	-174.3	0	0	0	0	0	114.8	C34	C34-G38 WeakPolarHBondContact O-CA 3.29Å; C34-G38 PolarHBondContact O-N 2.83Å
39	G	91.2	Very high	86.5	Confident	18 Å²	18	76.9 Å²	76.9	19%	0.186	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-79.7	156.6	-179	0	0	0	0	0	113.8	C34 C37	C34-G39 WeakPolarHBondContact CB-O 3.46Å; C34-G39 PolarHBondContact N-O 3.44Å; C37-G39 PolarHBondContact O-N 2.7Å; C37-G39 PolarHBondContact SG-N 3.46Å
40	P	90.9	Very high	88.4	Confident	89 Å²	89	67.4 Å²	67.4	58%	0.578	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-74.2	166.9	173.8	33.3	-36.1	0	0	0	112	H58	P40-H58 PolarHBondContact O-CE1 3.07Å; P40-H58 VanDerWaalsContact O-CE1 3.23Å; P40-H58 PolarHBondContact O-NE2 3.19Å
41	P	88.8	Confident	89.6	Confident	39 Å²	39	65 Å²	65	25%	0.253	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-71.9	152.5	172	30.2	-28.8	0	0	0	110.1	I23 F47	I23-P41 HydrophobicContact CG2-CG 4.47Å; P41-F47 HydrophobicContact CB-CD1 4.15Å; P41-F47 HydrophobicContact CB-CD2 3.81Å; P41-F47 HydrophobicContact CB-CE1 3.97Å; P41-F47 HydrophobicContact CB-CE2 3.64Å; P41-F47 HydrophobicContact CB-CG 4.08Å; P41-F47 HydrophobicContact CB-CZ 3.74Å; P41-F47 HydrophobicContact CG-CD2 4.05Å; P41-F47 HydrophobicContact CG-CE2 3.56Å; P41-F47 HydrophobicContact CG-CZ 3.9Å
42	T	86.7	Confident	90.5	Very high	63 Å²	63	67.2 Å²	67.2	39%	0.387	39%	0.385	S	S	.	.			trans	-115.1	164.9	174.5	73.1	0	0	0	0	110.3	E44 E45	T42-E44 PolarHBondContact O-N 3.12Å; T42-E44 PolarHBondContact OG1-N 2.99Å; T42-E45 PolarHBondContact N-O 3.24Å; T42-E45 VanDerWaalsContact N-O 3.12Å; T42-E45 CarbonylContact O-C 3.32Å; T42-E45 VanDerWaalsContact O-C 3.32Å; T42-E45 PolarHBondContact O-N 3.21Å; T42-E45 PolarHBondContact OG1-N 3.05Å
43	C	80.9	Confident	90.8	Very high	61 Å²	61	66.9 Å²	66.9	41%	0.412	38%	0.384	S	S	.	.	S	Bend	trans	-64.1	-28.7	173	-62.7	0	0	0	0	112.4	C20	C20-C43 WeakPolarHBondContact CA-SG 3.43Å; C20-C43 HydrophobicContact CB-CB 4.13Å; C20-C43 WeakPolarHBondContact CB-SG 3.42Å; C20-C43 PolarHBondContact O-SG 3.04Å; C20-C43 WeakPolarHBondContact SG-CB 3.5Å; C20-C43 CovalentContact SG-SG 2.06Å; C20-C43 PolarHBondContact SG-SG 2.87Å
44	E	81.6	Confident	90.8	Very high	195 Å²	195	63.9 Å²	63.9	91%	0.911	38%	0.379	S	S	*	.	S	Bend	trans	-83.1	-27.5	-178.3	-62	178.8	170.3	0	0	111.3	T42	T42-E44 PolarHBondContact O-N 3.12Å; T42-E44 PolarHBondContact OG1-N 2.99Å
45	E	85.9	Confident	90.8	Very high	42 Å²	42	65.6 Å²	65.6	20%	0.196	39%	0.387	C	S	.	.	S	Bend	trans	-139.7	92.6	-176.1	-169.2	179.6	-160.6	0	0	110.9	T42 H58 P59 T60	T42-E45 PolarHBondContact N-O 3.24Å; T42-E45 VanDerWaalsContact N-O 3.12Å; T42-E45 CarbonylContact O-C 3.32Å; T42-E45 VanDerWaalsContact O-C 3.32Å; T42-E45 PolarHBondContact O-N 3.21Å; T42-E45 PolarHBondContact OG1-N 3.05Å; E45-H58 HydrophobicContact CG-CB 4.43Å; E45-H58 WeakPolarHBondContact OE1-CB 3.13Å; E45-H58 IonicContact OE2-CD2 3.9Å; E45-H58 IonicContact OE2-CG 3.03Å; E45-P59 HydrophobicContact CG-CG 4.23Å; E45-P59 VanDerWaalsContact OE1-CD 3.31Å; E45-P59 WeakPolarHBondContact OE1-CD 3.31Å; E45-T60 WeakPolarHBondContact OE1-CB 3.3Å; E45-T60 WeakPolarHBondContact OE1-CG2 3.32Å; E45-T60 PolarHBondContact OE1-N 2.83Å; E45-T60 PolarHBondContact OE1-OG1 3.25Å; E45-T60 PolarHBondContact OE2-OG1 2.88Å; E45-T60 VanDerWaalsContact OE2-OG1 3.05Å
46	A	87.9	Confident	90.8	Very high	61 Å²	61	59.3 Å²	59.3	50%	0.504	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-70.8	156.2	170.5	0	0	0	0	0	111.1	P59	A46-P59 VanDerWaalsContact O-CD 3.31Å; A46-P59 WeakPolarHBondContact O-CD 3.36Å
47	F	92.5	Very high	90.8	Very high	28 Å²	28	56 Å²	56	12%	0.123	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.1	143.5	175.3	-64.2	-40.9	0	0	0	112.4	P32 C34 P41 V49 N56 T57 H58	P32-F47 HydrophobicContact CB-CE2 4.03Å; P32-F47 HydrophobicContact CG-CE2 4.17Å; P32-F47 VanDerWaalsContact O-CE2 3.29Å; P32-F47 WeakPolarHBondContact O-CE2 3.16Å; C34-F47 HydrophobicContact CB-CE1 3.87Å; C34-F47 HydrophobicContact CB-CZ 4.49Å; P41-F47 HydrophobicContact CB-CD1 4.15Å; P41-F47 HydrophobicContact CB-CD2 3.81Å; P41-F47 HydrophobicContact CB-CE1 3.97Å; P41-F47 HydrophobicContact CB-CE2 3.64Å; P41-F47 HydrophobicContact CB-CG 4.08Å; P41-F47 HydrophobicContact CB-CZ 3.74Å; P41-F47 HydrophobicContact CG-CD2 4.05Å; P41-F47 HydrophobicContact CG-CE2 3.56Å; P41-F47 HydrophobicContact CG-CZ 3.9Å; F47-V49 HydrophobicContact CB-CG2 4.14Å; F47-N56 HydrophobicContact CB-CB 4.15Å; F47-N56 HydrophobicContact CD1-CB 4.42Å; F47-N56 HydrophobicContact CD2-CB 3.72Å; F47-N56 HydrophobicContact CE2-CB 4.11Å; F47-N56 HydrophobicContact CG-CB 3.88Å; F47-T57 CarbonylContact C-O 3.49Å; F47-T57 WeakPolarHBondContact CA-O 2.96Å; F47-H58 AromaticContact CD1-CD2 3.89Å; F47-H58 AromaticContact CD1-NE2 3.99Å; F47-H58 AromaticContact CE1-CD2 3.82Å; F47-H58 AromaticContact CE1-CE1 3.67Å; F47-H58 AromaticContact CE1-NE2 3.44Å; F47-H58 WeakPolarHBondContact CE1-NE2 3.46Å
48	L	92.2	Very high	90.8	Very high	4 Å²	4	53 Å²	53	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.8	151.1	-65.4	170.6	0	0	0	108.3	N56 T57 P59 L62 Y64 E72 W77	L48-N56 WeakPolarHBondContact O-CA 3.03Å; L48-T57 HydrophobicContact CB-CG2 4.07Å; L48-T57 PolarHBondContact N-O 3.5Å; L48-T57 PolarHBondContact O-N 3.19Å; L48-P59 HydrophobicContact CD1-CB 4.21Å; L48-P59 HydrophobicContact CD1-CG 4.14Å; L48-P59 HydrophobicContact CG-CG 4.03Å; L48-L62 HydrophobicContact CD1-CD1 4.11Å; L48-Y64 HydrophobicContact CD1-CD2 3.68Å; L48-Y64 HydrophobicContact CD1-CE2 3.44Å; L48-Y64 VanDerWaalsContact CD1-CE2 3.44Å; L48-E72 HydrophobicContact CD2-CB 4.06Å; L48-W77 HydrophobicContact CB-CD2 3.75Å; L48-W77 HydrophobicContact CB-CE3 3.69Å; L48-W77 HydrophobicContact CB-CG 4.23Å; L48-W77 HydrophobicContact CB-CH2 4.42Å; L48-W77 HydrophobicContact CB-CZ2 4.47Å; L48-W77 HydrophobicContact CB-CZ3 4.04Å; L48-W77 HydrophobicContact CD1-CD2 4.45Å; L48-W77 HydrophobicContact CD2-CB 4.47Å; L48-W77 HydrophobicContact CD2-CG 4.31Å
49	V	93.3	Very high	90.8	Very high	74 Å²	74	51 Å²	51	45%	0.448	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119	-177.8	-172.6	0	0	0	0	109.4	F47 K51 L55 N56 W77	F47-V49 HydrophobicContact CB-CG2 4.14Å; V49-K51 PolarHBondContact O-N 3.41Å; V49-L55 CarbonylContact C-O 3.56Å; V49-L55 WeakPolarHBondContact CA-O 3.47Å; V49-N56 VanDerWaalsContact CG2-OD1 3.29Å; V49-N56 WeakPolarHBondContact CG2-OD1 3.28Å; V49-W77 VanDerWaalsContact C-CE3 3.4Å
50	C	95	Very high	90.8	Very high	2 Å²	2	54 Å²	54	1%	0.014	32%	0.316	C	S	.	.			trans	-67.5	123.1	-177.5	175	0	0	0	0	109.3	D52 C53 G54 L55 W77 C79	C50-D52 PolarHBondContact O-N 3.44Å; C50-D52 VanDerWaalsContact O-N 3.14Å; C50-D52 PolarHBondContact SG-N 3.43Å; C50-C53 VanDerWaalsContact CB-SG 3.54Å; C50-C53 PolarHBondContact SG-SG 3.02Å; C50-G54 VanDerWaalsContact O-CA 3.26Å; C50-G54 WeakPolarHBondContact O-CA 3.46Å; C50-G54 PolarHBondContact O-N 3.39Å; C50-L55 HydrophobicContact CB-CB 4.28Å; C50-L55 PolarHBondContact N-O 3.35Å; C50-W77 HydrophobicContact CB-CE3 4.01Å; C50-W77 HydrophobicContact CB-CZ3 3.68Å; C50-W77 VanDerWaalsContact N-CE3 3.31Å; C50-W77 VanDerWaalsContact N-CZ3 3.32Å; C50-C79 HydrophobicContact CB-CB 4.05Å; C50-C79 PolarHBondContact SG-N 2.91Å; C50-C79 VanDerWaalsContact SG-N 3.36Å
51	K	93.7	Very high	90.9	Very high	112 Å²	112	51.9 Å²	51.9	49%	0.487	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.9	-178.9	78.1	-170.7	-177.1	-154.4	0	114.3	V49 P76 W77 Q78	V49-K51 PolarHBondContact O-N 3.41Å; K51-P76 HydrophobicContact CB-CB 4.48Å; K51-P76 HydrophobicContact CD-CB 3.47Å; K51-P76 VanDerWaalsContact CD-CB 3.47Å; K51-W77 PolarHBondContact N-O 3.3Å; K51-Q78 HydrophobicContact CD-CG 3.95Å; K51-Q78 VanDerWaalsContact CE-CG 3.4Å; K51-Q78 HydrophobicContact CG-CG 4.02Å; K51-Q78 VanDerWaalsContact NZ-CD 3.27Å
52	D	93.6	Very high	90.9	Very high	91 Å²	91	52.7 Å²	52.7	49%	0.487	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-35.8	-173.2	-57.7	-55.9	0	0	0	113.1	C50 Q78 C82	C50-D52 PolarHBondContact O-N 3.44Å; C50-D52 VanDerWaalsContact O-N 3.14Å; C50-D52 PolarHBondContact SG-N 3.43Å; D52-Q78 WeakPolarHBondContact OD2-CG 2.91Å; D52-Q78 PolarHBondContact OD2-NE2 2.84Å; D52-C82 HydrophobicContact CB-CB 3.93Å
53	C	94.3	Very high	90.9	Very high	70 Å²	70	56.8 Å²	56.8	47%	0.473	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-9.3	-177.1	70.7	0	0	0	0	114.7	C50 L55 C79	C50-C53 VanDerWaalsContact CB-SG 3.54Å; C50-C53 PolarHBondContact SG-SG 3.02Å; C53-L55 VanDerWaalsContact C-N 3.25Å; C53-L55 PolarHBondContact O-N 2.81Å; C53-L55 VanDerWaalsContact SG-CB 3.5Å; C53-C79 VanDerWaalsContact SG-SG 3.69Å
54	G	92.9	Very high	91.3	Very high	39 Å²	39	55.1 Å²	55.1	40%	0.402	31%	0.309	S	S	.	.			trans	73.4	11.4	-179.6	0	0	0	0	0	114.9	C50 N56	C50-G54 VanDerWaalsContact O-CA 3.26Å; C50-G54 WeakPolarHBondContact O-CA 3.46Å; C50-G54 PolarHBondContact O-N 3.39Å; G54-N56 PolarHBondContact O-N 2.95Å; G54-N56 PolarHBondContact O-ND2 2.75Å
55	L	93.1	Very high	91.5	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.188	28%	0.275	C	S	.	.			trans	-63.2	130	176.8	-177.2	149.5	0	0	0	110.3	Y35 V49 C50 C53 T57 W77 C79	Y35-L55 HydrophobicContact CD1-CD1 3.8Å; Y35-L55 HydrophobicContact CD1-CD2 4.42Å; Y35-L55 HydrophobicContact CD1-CG 4.48Å; Y35-L55 HydrophobicContact CD2-CD1 3.79Å; Y35-L55 HydrophobicContact CD2-CG 4.41Å; Y35-L55 HydrophobicContact CE1-CD1 4.23Å; Y35-L55 HydrophobicContact CE2-CD1 4.23Å; Y35-L55 HydrophobicContact CG-CD1 3.55Å; Y35-L55 HydrophobicContact CG-CD2 4.24Å; Y35-L55 HydrophobicContact CG-CG 3.98Å; V49-L55 CarbonylContact C-O 3.56Å; V49-L55 WeakPolarHBondContact CA-O 3.47Å; C50-L55 HydrophobicContact CB-CB 4.28Å; C50-L55 PolarHBondContact N-O 3.35Å; C53-L55 VanDerWaalsContact C-N 3.25Å; C53-L55 PolarHBondContact O-N 2.81Å; C53-L55 VanDerWaalsContact SG-CB 3.5Å; L55-T57 HydrophobicContact CD2-CG2 4.37Å; L55-W77 HydrophobicContact CD2-CH2 4.26Å; L55-C79 HydrophobicContact CD2-CB 4.46Å
56	N	93.3	Very high	91.5	Very high	35 Å²	35	51.1 Å²	51.1	19%	0.187	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.2	177.8	-52.9	-69.8	0	0	0	109.7	C34 Y35 F47 L48 V49 G54	C34-N56 WeakPolarHBondContact CA-O 3.25Å; Y35-N56 WeakPolarHBondContact CB-O 3.29Å; Y35-N56 PolarHBondContact N-O 3.12Å; F47-N56 HydrophobicContact CB-CB 4.15Å; F47-N56 HydrophobicContact CD1-CB 4.42Å; F47-N56 HydrophobicContact CD2-CB 3.72Å; F47-N56 HydrophobicContact CE2-CB 4.11Å; F47-N56 HydrophobicContact CG-CB 3.88Å; L48-N56 WeakPolarHBondContact O-CA 3.03Å; V49-N56 VanDerWaalsContact CG2-OD1 3.29Å; V49-N56 WeakPolarHBondContact CG2-OD1 3.28Å; G54-N56 PolarHBondContact O-N 2.95Å; G54-N56 PolarHBondContact O-ND2 2.75Å
57	T	93.1	Very high	91.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.8	174.2	-172.7	0	0	0	0	111.1	F47 L48 L55 L62 W77	F47-T57 CarbonylContact C-O 3.49Å; F47-T57 WeakPolarHBondContact CA-O 2.96Å; L48-T57 HydrophobicContact CB-CG2 4.07Å; L48-T57 PolarHBondContact N-O 3.5Å; L48-T57 PolarHBondContact O-N 3.19Å; L55-T57 HydrophobicContact CD2-CG2 4.37Å; T57-L62 HydrophobicContact CG2-CD1 3.55Å; T57-L62 HydrophobicContact CG2-CD2 4.26Å; T57-L62 HydrophobicContact CG2-CG 3.87Å; T57-W77 HydrophobicContact CG2-CH2 3.42Å; T57-W77 VanDerWaalsContact CG2-CH2 3.42Å; T57-W77 HydrophobicContact CG2-CZ2 3.93Å; T57-W77 HydrophobicContact CG2-CZ3 4.02Å
58	H	93.6	Very high	91.1	Very high	12 Å²	12	52 Å²	52	6%	0.056	29%	0.291	C	S	.	.			trans	-70.3	136	168	-66.4	114.5	0	0	0	109.5	C34 C37 P40 E45 F47 T60 C61 L62	C34-H58 WeakPolarHBondContact CB-ND1 3.47Å; C34-H58 PolarHBondContact SG-N 2.99Å; C34-H58 VanDerWaalsContact SG-N 3.44Å; C34-H58 PolarHBondContact SG-ND1 3.16Å; C37-H58 PolarHBondContact SG-ND1 3.42Å; C37-H58 VanDerWaalsContact SG-ND1 3.45Å; P40-H58 PolarHBondContact O-CE1 3.07Å; P40-H58 VanDerWaalsContact O-CE1 3.23Å; P40-H58 PolarHBondContact O-NE2 3.19Å; E45-H58 HydrophobicContact CG-CB 4.43Å; E45-H58 WeakPolarHBondContact OE1-CB 3.13Å; E45-H58 IonicContact OE2-CD2 3.9Å; E45-H58 IonicContact OE2-CG 3.03Å; F47-H58 AromaticContact CD1-CD2 3.89Å; F47-H58 AromaticContact CD1-NE2 3.99Å; F47-H58 AromaticContact CE1-CD2 3.82Å; F47-H58 AromaticContact CE1-CE1 3.67Å; F47-H58 AromaticContact CE1-NE2 3.44Å; F47-H58 WeakPolarHBondContact CE1-NE2 3.46Å; H58-T60 VanDerWaalsContact C-N 3.27Å; H58-T60 PolarHBondContact O-N 3.4Å; H58-C61 HydrophobicContact CB-CB 3.93Å; H58-C61 WeakPolarHBondContact O-CB 3.43Å; H58-C61 PolarHBondContact O-N 3.49Å; H58-C61 VanDerWaalsContact O-N 3.08Å; H58-L62 PolarHBondContact O-N 2.95Å
59	P	92.2	Very high	91	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	30%	0.298	C	S	.	.	S	Bend	trans	-52.3	-42.4	170.8	-20.9	24	0	0	0	113.5	E45 A46 L48 C61 L62 D63 Y64 T69	E45-P59 HydrophobicContact CG-CG 4.23Å; E45-P59 VanDerWaalsContact OE1-CD 3.31Å; E45-P59 WeakPolarHBondContact OE1-CD 3.31Å; A46-P59 VanDerWaalsContact O-CD 3.31Å; A46-P59 WeakPolarHBondContact O-CD 3.36Å; L48-P59 HydrophobicContact CD1-CB 4.21Å; L48-P59 HydrophobicContact CD1-CG 4.14Å; L48-P59 HydrophobicContact CG-CG 4.03Å; P59-C61 VanDerWaalsContact C-N 3.29Å; P59-C61 PolarHBondContact O-N 3.27Å; P59-L62 CarbonylContact O-C 3.59Å; P59-L62 WeakPolarHBondContact O-CA 3.2Å; P59-L62 WeakPolarHBondContact O-CB 3.39Å; P59-L62 PolarHBondContact O-N 3.48Å; P59-D63 PolarHBondContact O-N 3.11Å; P59-Y64 HydrophobicContact CB-CD2 4.45Å; P59-Y64 WeakPolarHBondContact O-CB 3.38Å; P59-Y64 PolarHBondContact O-N 3.16Å; P59-T69 HydrophobicContact CB-CG2 3.6Å; P59-T69 WeakPolarHBondContact CB-OG1 3.5Å; P59-T69 HydrophobicContact CG-CG2 3.41Å; P59-T69 VanDerWaalsContact CG-CG2 3.41Å
60	T	92.3	Very high	90.6	Very high	81 Å²	81	55.5 Å²	55.5	50%	0.497	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-65.7	-30.9	176.7	58.4	0	0	0	0	112.6	E45 H58 L62 D63	E45-T60 WeakPolarHBondContact OE1-CB 3.3Å; E45-T60 WeakPolarHBondContact OE1-CG2 3.32Å; E45-T60 PolarHBondContact OE1-N 2.83Å; E45-T60 PolarHBondContact OE1-OG1 3.25Å; E45-T60 PolarHBondContact OE2-OG1 2.88Å; E45-T60 VanDerWaalsContact OE2-OG1 3.05Å; H58-T60 VanDerWaalsContact C-N 3.27Å; H58-T60 PolarHBondContact O-N 3.4Å; T60-L62 PolarHBondContact O-N 3.32Å; T60-D63 PolarHBondContact O-N 2.74Å
61	C	92.3	Very high	90.2	Very high	44 Å²	44	59.4 Å²	59.4	30%	0.297	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-70.6	-11.2	172.7	-72.6	0	0	0	0	113.2	C36 H58 P59	C36-C61 HydrophobicContact CB-CB 3.65Å; H58-C61 HydrophobicContact CB-CB 3.93Å; H58-C61 WeakPolarHBondContact O-CB 3.43Å; H58-C61 PolarHBondContact O-N 3.49Å; H58-C61 VanDerWaalsContact O-N 3.08Å; P59-C61 VanDerWaalsContact C-N 3.29Å; P59-C61 PolarHBondContact O-N 3.27Å
62	L	89.2	Confident	89.9	Confident	56 Å²	56	54.5 Å²	54.5	29%	0.293	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-104.4	9.8	170.1	-60.8	-178.6	0	0	0	112.5	L48 T57 H58 P59 T60 Y64 W77	L48-L62 HydrophobicContact CD1-CD1 4.11Å; T57-L62 HydrophobicContact CG2-CD1 3.55Å; T57-L62 HydrophobicContact CG2-CD2 4.26Å; T57-L62 HydrophobicContact CG2-CG 3.87Å; H58-L62 PolarHBondContact O-N 2.95Å; P59-L62 CarbonylContact O-C 3.59Å; P59-L62 WeakPolarHBondContact O-CA 3.2Å; P59-L62 WeakPolarHBondContact O-CB 3.39Å; P59-L62 PolarHBondContact O-N 3.48Å; T60-L62 PolarHBondContact O-N 3.32Å; L62-Y64 HydrophobicContact CB-CD1 3.66Å; L62-Y64 HydrophobicContact CB-CE1 3.55Å; L62-Y64 HydrophobicContact CB-CG 4.3Å; L62-Y64 HydrophobicContact CD1-CE1 3.91Å; L62-Y64 HydrophobicContact CD1-CE2 4.17Å; L62-Y64 WeakPolarHBondContact CD1-OH 3.26Å; L62-Y64 HydrophobicContact CG-CE1 4.42Å; L62-Y64 WeakPolarHBondContact O-CD1 3.31Å; L62-Y64 PolarHBondContact O-N 2.9Å; L62-W77 HydrophobicContact CD1-CH2 4.34Å; L62-W77 HydrophobicContact CD1-CZ2 3.6Å
63	D	86.8	Confident	89.5	Confident	149 Å²	149	53.7 Å²	53.7	80%	0.797	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	28	-173	-60.6	-51.5	0	0	0	113.8	P59 T60 W65	P59-D63 PolarHBondContact O-N 3.11Å; T60-D63 PolarHBondContact O-N 2.74Å; D63-W65 PolarHBondContact O-N 3.3Å
64	Y	88.2	Confident	89	Confident	26 Å²	26	57.3 Å²	57.3	10%	0.102	31%	0.308	C	S	.	.			trans	-73.8	131.1	175.7	-73.4	14	0	0	0	110.2	L48 P59 L62 L68 T69 E72 W77 D104	L48-Y64 HydrophobicContact CD1-CD2 3.68Å; L48-Y64 HydrophobicContact CD1-CE2 3.44Å; L48-Y64 VanDerWaalsContact CD1-CE2 3.44Å; P59-Y64 HydrophobicContact CB-CD2 4.45Å; P59-Y64 WeakPolarHBondContact O-CB 3.38Å; P59-Y64 PolarHBondContact O-N 3.16Å; L62-Y64 HydrophobicContact CB-CD1 3.66Å; L62-Y64 HydrophobicContact CB-CE1 3.55Å; L62-Y64 HydrophobicContact CB-CG 4.3Å; L62-Y64 HydrophobicContact CD1-CE1 3.91Å; L62-Y64 HydrophobicContact CD1-CE2 4.17Å; L62-Y64 WeakPolarHBondContact CD1-OH 3.26Å; L62-Y64 HydrophobicContact CG-CE1 4.42Å; L62-Y64 WeakPolarHBondContact O-CD1 3.31Å; L62-Y64 PolarHBondContact O-N 2.9Å; Y64-L68 HydrophobicContact CD1-CD2 3.64Å; Y64-L68 HydrophobicContact CD1-CG 4.41Å; Y64-L68 HydrophobicContact CD2-CD2 3.93Å; Y64-L68 HydrophobicContact CD2-CG 3.79Å; Y64-L68 HydrophobicContact CE1-CD2 4.03Å; Y64-L68 HydrophobicContact CE2-CD2 4.27Å; Y64-L68 HydrophobicContact CE2-CG 4.22Å; Y64-L68 HydrophobicContact CG-CD2 3.64Å; Y64-L68 HydrophobicContact CG-CG 3.93Å; Y64-T69 WeakPolarHBondContact CB-OG1 3.43Å; Y64-E72 HydrophobicContact CE2-CB 4.31Å; Y64-E72 HydrophobicContact CE2-CG 3.99Å; Y64-W77 PolarHBondContact OH-NE1 3.03Å; Y64-D104 HydrophobicContact CE1-CB 4.28Å; Y64-D104 HydrophobicContact CE2-CB 4.45Å; Y64-D104 WeakPolarHBondContact OH-CB 3.34Å; Y64-D104 PolarHBondContact OH-OD1 2.89Å; Y64-D104 PolarHBondContact OH-OD2 2.63Å
65	W	86.4	Confident	88.5	Confident	53 Å²	53	58 Å²	58	20%	0.201	31%	0.307	C	S	.	.			trans	-75.5	163.1	167.5	62.7	76.7	0	0	0	111	D63 E67 L68 T69 A102 Y136	D63-W65 PolarHBondContact O-N 3.3Å; W65-E67 PolarHBondContact O-N 3.28Å; W65-L68 HydrophobicContact CD2-CB 4.08Å; W65-L68 HydrophobicContact CG-CB 4.12Å; W65-L68 HydrophobicContact CZ2-CB 4.4Å; W65-L68 VanDerWaalsContact NE1-N 3.19Å; W65-L68 PolarHBondContact O-N 2.96Å; W65-L68 VanDerWaalsContact O-N 3.16Å; W65-T69 PolarHBondContact O-N 3.27Å; W65-T69 PolarHBondContact O-OG1 3.49Å; W65-A102 HydrophobicContact CH2-CB 3.75Å; W65-A102 WeakPolarHBondContact CH2-O 3.4Å; W65-A102 HydrophobicContact CZ2-CB 4.37Å; W65-A102 WeakPolarHBondContact CZ2-O 3.35Å; W65-Y136 AromaticContact CH2-CD1 3.82Å; W65-Y136 HydrophobicContact CH2-CD1 3.82Å; W65-Y136 AromaticContact CH2-CE1 3.56Å; W65-Y136 HydrophobicContact CH2-CE1 3.56Å; W65-Y136 AromaticContact CZ2-CD1 3.98Å; W65-Y136 HydrophobicContact CZ2-CD1 3.98Å; W65-Y136 AromaticContact CZ2-CE1 3.24Å; W65-Y136 HydrophobicContact CZ2-CE1 3.24Å; W65-Y136 AromaticContact CZ2-CZ 3.76Å
66	P	85.8	Confident	88.2	Confident	99 Å²	99	60.8 Å²	60.8	64%	0.643	33%	0.327	S	S	*	.	H	α-helix	trans	-56	-43	-173.3	-28.9	37.2	0	0	0	114.7	L68 T69 E70	P66-L68 PolarHBondContact O-N 2.95Å; P66-T69 WeakPolarHBondContact O-CB 3.2Å; P66-T69 PolarHBondContact O-N 2.77Å; P66-E70 PolarHBondContact O-N 3.26Å
67	E	85.6	Confident	88.2	Confident	105 Å²	105	59.7 Å²	59.7	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-67.1	-34.1	-179.9	-60.5	81.1	176.2	0	0	112.9	W65 R71	W65-E67 PolarHBondContact O-N 3.28Å; E67-R71 WeakPolarHBondContact O-CB 3.29Å; E67-R71 PolarHBondContact O-N 3.25Å
68	L	87.2	Confident	88.3	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-70.7	-43.8	173.8	178.5	57.6	0	0	0	110	Y64 W65 P66 E70 R71 E72	Y64-L68 HydrophobicContact CD1-CD2 3.64Å; Y64-L68 HydrophobicContact CD1-CG 4.41Å; Y64-L68 HydrophobicContact CD2-CD2 3.93Å; Y64-L68 HydrophobicContact CD2-CG 3.79Å; Y64-L68 HydrophobicContact CE1-CD2 4.03Å; Y64-L68 HydrophobicContact CE2-CD2 4.27Å; Y64-L68 HydrophobicContact CE2-CG 4.22Å; Y64-L68 HydrophobicContact CG-CD2 3.64Å; Y64-L68 HydrophobicContact CG-CG 3.93Å; W65-L68 HydrophobicContact CD2-CB 4.08Å; W65-L68 HydrophobicContact CG-CB 4.12Å; W65-L68 HydrophobicContact CZ2-CB 4.4Å; W65-L68 VanDerWaalsContact NE1-N 3.19Å; W65-L68 PolarHBondContact O-N 2.96Å; W65-L68 VanDerWaalsContact O-N 3.16Å; P66-L68 PolarHBondContact O-N 2.95Å; L68-E70 VanDerWaalsContact C-N 3.34Å; L68-E70 PolarHBondContact O-N 2.96Å; L68-R71 PolarHBondContact O-N 3.21Å; L68-E72 HydrophobicContact CD1-CG 3.86Å; L68-E72 HydrophobicContact CG-CG 4.33Å; L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 3.14Å
69	T	88	Confident	88.2	Confident	29 Å²	29	60.3 Å²	60.3	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-54.8	-49.6	174.8	-58.8	0	0	0	0	111.3	P59 Y64 W65 P66 R71 E72 C73	P59-T69 HydrophobicContact CB-CG2 3.6Å; P59-T69 WeakPolarHBondContact CB-OG1 3.5Å; P59-T69 HydrophobicContact CG-CG2 3.41Å; P59-T69 VanDerWaalsContact CG-CG2 3.41Å; Y64-T69 WeakPolarHBondContact CB-OG1 3.43Å; W65-T69 PolarHBondContact O-N 3.27Å; W65-T69 PolarHBondContact O-OG1 3.49Å; P66-T69 WeakPolarHBondContact O-CB 3.2Å; P66-T69 PolarHBondContact O-N 2.77Å; T69-R71 VanDerWaalsContact C-N 3.33Å; T69-R71 PolarHBondContact O-N 2.94Å; T69-E72 PolarHBondContact O-N 3.38Å; T69-C73 VanDerWaalsContact O-CB 3.28Å; T69-C73 WeakPolarHBondContact O-CB 3.33Å; T69-C73 PolarHBondContact O-N 3.1Å; T69-C73 PolarHBondContact O-SG 3.18Å
70	E	86	Confident	88.1	Confident	123 Å²	123	63.8 Å²	63.8	58%	0.575	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-43.6	179	-174.8	176.5	-165.4	0	0	111.9	P66 L68 Q74	P66-E70 PolarHBondContact O-N 3.26Å; L68-E70 VanDerWaalsContact C-N 3.34Å; L68-E70 PolarHBondContact O-N 2.96Å; E70-Q74 VanDerWaalsContact O-CG 3.28Å; E70-Q74 WeakPolarHBondContact O-CG 3.34Å; E70-Q74 PolarHBondContact O-N 3Å
71	R	85.8	Confident	87.9	Confident	83 Å²	83	64.6 Å²	64.6	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-44.6	178.2	-176.3	-173.7	-61.6	-171.8	-3.1	112.6	E67 L68 T69 Q74 S75	E67-R71 WeakPolarHBondContact O-CB 3.29Å; E67-R71 PolarHBondContact O-N 3.25Å; L68-R71 PolarHBondContact O-N 3.21Å; T69-R71 VanDerWaalsContact C-N 3.33Å; T69-R71 PolarHBondContact O-N 2.94Å; R71-Q74 PolarHBondContact O-N 3.46Å; R71-S75 PolarHBondContact O-N 3.18Å; R71-S75 PolarHBondContact O-OG 2.53Å
72	E	87.5	Confident	87.9	Confident	10 Å²	10	64 Å²	64	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-74.6	-32.2	-178.5	-68.6	-56.7	132	0	0	111.8	L48 Y64 L68 T69 Q74 S75 K105	L48-E72 HydrophobicContact CD2-CB 4.06Å; Y64-E72 HydrophobicContact CE2-CB 4.31Å; Y64-E72 HydrophobicContact CE2-CG 3.99Å; L68-E72 HydrophobicContact CD1-CG 3.86Å; L68-E72 HydrophobicContact CG-CG 4.33Å; L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 3.14Å; T69-E72 PolarHBondContact O-N 3.38Å; E72-Q74 PolarHBondContact O-N 3.37Å; E72-S75 PolarHBondContact O-N 3.06Å; E72-S75 VanDerWaalsContact O-N 3.12Å; E72-K105 IonicContact OE1-NZ 2.6Å
73	C	84.9	Confident	88.1	Confident	73 Å²	73	61.7 Å²	61.7	49%	0.493	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-26.3	170.7	-75.7	0	0	0	0	113.1	T69	T69-C73 VanDerWaalsContact O-CB 3.28Å; T69-C73 WeakPolarHBondContact O-CB 3.33Å; T69-C73 PolarHBondContact O-N 3.1Å; T69-C73 PolarHBondContact O-SG 3.18Å
74	Q	83.9	Confident	88.4	Confident	146 Å²	146	56 Å²	56	68%	0.682	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-7	175.9	-68.9	174	15.1	0	0	113.4	E70 R71 E72	E70-Q74 VanDerWaalsContact O-CG 3.28Å; E70-Q74 WeakPolarHBondContact O-CG 3.34Å; E70-Q74 PolarHBondContact O-N 3Å; R71-Q74 PolarHBondContact O-N 3.46Å; E72-Q74 PolarHBondContact O-N 3.37Å
75	S	82.6	Confident	88.6	Confident	54 Å²	54	54.7 Å²	54.7	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-120.1	158.6	-174.7	-60.9	0	0	0	0	111.7	R71 E72 W77	R71-S75 PolarHBondContact O-N 3.18Å; R71-S75 PolarHBondContact O-OG 2.53Å; E72-S75 PolarHBondContact O-N 3.06Å; E72-S75 VanDerWaalsContact O-N 3.12Å; S75-W77 VanDerWaalsContact C-N 3.29Å; S75-W77 PolarHBondContact O-N 2.6Å
76	P	88.1	Confident	88.8	Confident	95 Å²	95	55.4 Å²	55.4	62%	0.617	31%	0.309	S	S	*	.			trans	-68.3	86.4	169.8	-19.8	33.3	0	0	0	111	K51	K51-P76 HydrophobicContact CB-CB 4.48Å; K51-P76 HydrophobicContact CD-CB 3.47Å; K51-P76 VanDerWaalsContact CD-CB 3.47Å
77	W	92.9	Very high	89.1	Confident	11 Å²	11	54.7 Å²	54.7	4%	0.042	30%	0.302	C	S	.	.			trans	-62.4	146.8	-178.2	-180	77.4	0	0	0	112.2	L48 V49 C50 K51 L55 T57 L62 Y64 S75 C79 D104	L48-W77 HydrophobicContact CB-CD2 3.75Å; L48-W77 HydrophobicContact CB-CE3 3.69Å; L48-W77 HydrophobicContact CB-CG 4.23Å; L48-W77 HydrophobicContact CB-CH2 4.42Å; L48-W77 HydrophobicContact CB-CZ2 4.47Å; L48-W77 HydrophobicContact CB-CZ3 4.04Å; L48-W77 HydrophobicContact CD1-CD2 4.45Å; L48-W77 HydrophobicContact CD2-CB 4.47Å; L48-W77 HydrophobicContact CD2-CG 4.31Å; V49-W77 VanDerWaalsContact C-CE3 3.4Å; C50-W77 HydrophobicContact CB-CE3 4.01Å; C50-W77 HydrophobicContact CB-CZ3 3.68Å; C50-W77 VanDerWaalsContact N-CE3 3.31Å; C50-W77 VanDerWaalsContact N-CZ3 3.32Å; K51-W77 PolarHBondContact N-O 3.3Å; L55-W77 HydrophobicContact CD2-CH2 4.26Å; T57-W77 HydrophobicContact CG2-CH2 3.42Å; T57-W77 VanDerWaalsContact CG2-CH2 3.42Å; T57-W77 HydrophobicContact CG2-CZ2 3.93Å; T57-W77 HydrophobicContact CG2-CZ3 4.02Å; L62-W77 HydrophobicContact CD1-CH2 4.34Å; L62-W77 HydrophobicContact CD1-CZ2 3.6Å; Y64-W77 PolarHBondContact OH-NE1 3.03Å; S75-W77 VanDerWaalsContact C-N 3.29Å; S75-W77 PolarHBondContact O-N 2.6Å; W77-C79 HydrophobicContact CH2-CB 3.66Å; W77-C79 HydrophobicContact CZ2-CB 4.18Å; W77-C79 HydrophobicContact CZ3-CB 4.21Å; W77-D104 PolarHBondContact NE1-OD2 3.05Å
78	Q	93.9	Very high	89.4	Confident	19 Å²	19	52.6 Å²	52.6	9%	0.089	30%	0.299	C	S	.	.			trans	-128.4	134.4	176.5	-66.7	177	-76.3	0	0	108.8	K51 D52 C82 K83 T84	K51-Q78 HydrophobicContact CD-CG 3.95Å; K51-Q78 VanDerWaalsContact CE-CG 3.4Å; K51-Q78 HydrophobicContact CG-CG 4.02Å; K51-Q78 VanDerWaalsContact NZ-CD 3.27Å; D52-Q78 WeakPolarHBondContact OD2-CG 2.91Å; D52-Q78 PolarHBondContact OD2-NE2 2.84Å; Q78-C82 HydrophobicContact CB-CB 4.5Å; Q78-C82 PolarHBondContact NE2-O 3.28Å; Q78-C82 VanDerWaalsContact NE2-O 3.14Å; Q78-K83 HydrophobicContact CB-CD 4.36Å; Q78-K83 VanDerWaalsContact O-CE 3.32Å; Q78-K83 WeakPolarHBondContact O-CE 3.13Å; Q78-K83 PolarHBondContact O-NZ 2.74Å; Q78-T84 PolarHBondContact NE2-OG1 3.48Å; Q78-T84 PolarHBondContact OE1-OG1 3.26Å
79	C	93.1	Very high	89.5	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.041	33%	0.33	C	S	.	.			trans	-64.1	164.6	171.1	69.8	0	0	0	0	111	C50 C53 L55 W77 D81 C82 K83	C50-C79 HydrophobicContact CB-CB 4.05Å; C50-C79 PolarHBondContact SG-N 2.91Å; C50-C79 VanDerWaalsContact SG-N 3.36Å; C53-C79 VanDerWaalsContact SG-SG 3.69Å; L55-C79 HydrophobicContact CD2-CB 4.46Å; W77-C79 HydrophobicContact CH2-CB 3.66Å; W77-C79 HydrophobicContact CZ2-CB 4.18Å; W77-C79 HydrophobicContact CZ3-CB 4.21Å; C79-D81 PolarHBondContact O-N 3.4Å; C79-C82 CarbonylContact O-C 3.6Å; C79-C82 PolarHBondContact O-N 2.98Å; C79-C82 VanDerWaalsContact O-N 3.1Å; C79-C82 PolarHBondContact SG-N 2.85Å; C79-C82 VanDerWaalsContact SG-SG 3.69Å; C79-K83 PolarHBondContact O-N 3.05Å
80	S	88.6	Confident	89.5	Confident	74 Å²	74	59.9 Å²	59.9	52%	0.517	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.6	178.6	50	0	0	0	0	113.1	K83	S80-K83 WeakPolarHBondContact O-CB 3.48Å
81	D	89.3	Confident	89.5	Confident	99 Å²	99	56.3 Å²	56.3	53%	0.529	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-32.6	179.8	-69.3	-33.7	0	0	0	114	C79 R94	C79-D81 PolarHBondContact O-N 3.4Å; D81-R94 VanDerWaalsContact O-CZ 3.31Å; D81-R94 PolarHBondContact O-NE 3.31Å
82	C	92.4	Very high	89.2	Confident	30 Å²	30	57.6 Å²	57.6	20%	0.203	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.8	179.7	-70.5	0	0	0	0	112.9	D52 Q78 C79 T84	D52-C82 HydrophobicContact CB-CB 3.93Å; Q78-C82 HydrophobicContact CB-CB 4.5Å; Q78-C82 PolarHBondContact NE2-O 3.28Å; Q78-C82 VanDerWaalsContact NE2-O 3.14Å; C79-C82 CarbonylContact O-C 3.6Å; C79-C82 PolarHBondContact O-N 2.98Å; C79-C82 VanDerWaalsContact O-N 3.1Å; C79-C82 PolarHBondContact SG-N 2.85Å; C79-C82 VanDerWaalsContact SG-SG 3.69Å; C82-T84 PolarHBondContact O-N 3.49Å
83	K	92.7	Very high	88.7	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.035	36%	0.363	C	S	.	.			trans	-55.2	134	-173.9	-163	74	66.4	177.6	0	111.2	Q78 C79 S80 L97 I99 D104	Q78-K83 HydrophobicContact CB-CD 4.36Å; Q78-K83 VanDerWaalsContact O-CE 3.32Å; Q78-K83 WeakPolarHBondContact O-CE 3.13Å; Q78-K83 PolarHBondContact O-NZ 2.74Å; C79-K83 PolarHBondContact O-N 3.05Å; S80-K83 WeakPolarHBondContact O-CB 3.48Å; K83-L97 HydrophobicContact CB-CD2 3.62Å; K83-L97 HydrophobicContact CG-CD2 3.83Å; K83-L97 WeakPolarHBondContact O-CD2 3.47Å; K83-I99 HydrophobicContact CB-CD1 4.42Å; K83-I99 HydrophobicContact CG-CD1 4.39Å; K83-I99 HydrophobicContact CG-CG1 4.3Å; K83-D104 WeakPolarHBondContact CD-O 3.47Å; K83-D104 WeakPolarHBondContact CE-O 3.47Å; K83-D104 WeakPolarHBondContact CE-OD1 3.37Å; K83-D104 PolarHBondContact NZ-O 3.33Å; K83-D104 IonicContact NZ-OD1 3.68Å; K83-D104 PolarHBondContact NZ-OD1 3.39Å; K83-D104 IonicContact NZ-OD2 3.92Å; K83-D104 PolarHBondContact NZ-OD2 2.74Å
84	T	93.3	Very high	88.2	Confident	29 Å²	29	67.9 Å²	67.9	18%	0.178	36%	0.364	C	S	.	.			trans	-109.4	153.4	174.4	50.6	0	0	0	0	110.9	Q78 C82 T86	Q78-T84 PolarHBondContact NE2-OG1 3.48Å; Q78-T84 PolarHBondContact OE1-OG1 3.26Å; C82-T84 PolarHBondContact O-N 3.49Å; T84-T86 PolarHBondContact O-N 3.34Å
85	C	92.9	Very high	87.9	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-67.4	127.3	175.1	173.9	0	0	0	0	111.1	V87 C88 N89 N90 L97 G106 H108 C111	C85-V87 PolarHBondContact O-N 2.96Å; C85-V87 PolarHBondContact SG-N 2.71Å; C85-V87 VanDerWaalsContact SG-N 3.39Å; C85-C88 VanDerWaalsContact CB-SG 3.59Å; C85-N89 WeakPolarHBondContact O-CA 3.32Å; C85-N89 PolarHBondContact O-N 3.48Å; C85-N90 PolarHBondContact N-O 2.94Å; C85-L97 HydrophobicContact CB-CD1 3.77Å; C85-G106 CarbonylContact C-O 3.47Å; C85-G106 WeakPolarHBondContact CA-O 3.48Å; C85-H108 WeakPolarHBondContact CB-CE1 3.41Å; C85-H108 VanDerWaalsContact CB-ND1 3.3Å; C85-H108 WeakPolarHBondContact CB-ND1 3.31Å; C85-H108 PolarHBondContact SG-N 3.22Å; C85-H108 VanDerWaalsContact SG-N 3.44Å; C85-C111 VanDerWaalsContact SG-CB 3.56Å
86	T	91	Very high	87.9	Confident	68 Å²	68	71.6 Å²	71.6	42%	0.417	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.7	-179.8	-53.4	0	0	0	0	113.1	T84 K105 G106	T84-T86 PolarHBondContact O-N 3.34Å; T86-K105 HydrophobicContact CG2-CD 4.17Å; T86-G106 PolarHBondContact N-O 2.96Å; T86-G106 PolarHBondContact OG1-O 3.16Å
87	V	90.6	Very high	87.9	Confident	84 Å²	84	67.9 Å²	67.9	51%	0.509	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-46.1	-176.7	179.7	0	0	0	0	111.9	C85 F107 C111	C85-V87 PolarHBondContact O-N 2.96Å; C85-V87 PolarHBondContact SG-N 2.71Å; C85-V87 VanDerWaalsContact SG-N 3.39Å; V87-F107 HydrophobicContact CG2-CD1 4.06Å; V87-F107 HydrophobicContact CG2-CE1 4.4Å; V87-C111 HydrophobicContact CB-CB 3.86Å; V87-C111 HydrophobicContact CG1-CB 4.2Å; V87-C111 HydrophobicContact CG2-CB 4.11Å
88	C	92.1	Very high	87.6	Confident	61 Å²	61	68.6 Å²	68.6	41%	0.412	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-7	-177.4	69.1	0	0	0	0	114.3	C85 N90 H108	C85-C88 VanDerWaalsContact CB-SG 3.59Å; C88-N90 PolarHBondContact O-N 3.36Å; C88-H108 VanDerWaalsContact SG-CE1 3.56Å; C88-H108 PolarHBondContact SG-ND1 3.23Å; C88-H108 VanDerWaalsContact SG-ND1 3.41Å
89	N	90.6	Very high	87.4	Confident	127 Å²	127	70 Å²	70	68%	0.679	36%	0.355	S	S	*	.			trans	55.2	27.2	-176.3	-60.2	-54.5	0	0	0	114.5	C85	C85-N89 WeakPolarHBondContact O-CA 3.32Å; C85-N89 PolarHBondContact O-N 3.48Å
90	N	88.3	Confident	87.2	Confident	57 Å²	57	69.7 Å²	69.7	31%	0.305	35%	0.353	S	S	.	.			trans	-114.7	156.4	178.1	-156.9	-13.5	0	0	0	110.9	C85 C88 E92 H108	C85-N90 PolarHBondContact N-O 2.94Å; C88-N90 PolarHBondContact O-N 3.36Å; N90-E92 WeakPolarHBondContact ND2-CG 3.16Å; N90-E92 PolarHBondContact ND2-OE1 3.43Å; N90-E92 PolarHBondContact OD1-N 3.48Å; N90-E92 VanDerWaalsContact OD1-N 3.12Å; N90-H108 PolarHBondContact O-CE1 2.88Å
91	S	85.6	Confident	87	Confident	48 Å²	48	70.4 Å²	70.4	34%	0.336	35%	0.351	S	S	.	.			trans	-106.5	0.1	171.6	60.7	0	0	0	0	113	R94	S91-R94 PolarHBondContact O-N 2.89Å
92	E	79.5	Confident	86.9	Confident	110 Å²	110	65.9 Å²	65.9	51%	0.514	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	138.8	168.5	-78.9	178.2	-147.3	0	0	110.6	N90 H108	N90-E92 WeakPolarHBondContact ND2-CG 3.16Å; N90-E92 PolarHBondContact ND2-OE1 3.43Å; N90-E92 PolarHBondContact OD1-N 3.48Å; N90-E92 VanDerWaalsContact OD1-N 3.12Å; E92-H108 PolarHBondContact O-CE1 2.82Å; E92-H108 VanDerWaalsContact O-CE1 3.24Å; E92-H108 PolarHBondContact O-NE2 3.39Å
93	Y	77.4	Confident	86.7	Confident	164 Å²	164	64.5 Å²	64.5	64%	0.643	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	39.4	-174.6	-43	-81.3	0	0	0	113.6	R95 D96 L97	Y93-R95 PolarHBondContact O-N 2.83Å; Y93-D96 WeakPolarHBondContact O-CA 3.42Å; Y93-D96 PolarHBondContact O-N 3.45Å; Y93-L97 PolarHBondContact O-N 2.95Å
94	R	73.7	Confident	86.6	Confident	136 Å²	136	64.9 Å²	64.9	51%	0.513	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-46.4	-31.9	172.9	-171.6	-174.9	-59.8	148.6	1.8	114	D81 S91 D96 L97	D81-R94 VanDerWaalsContact O-CZ 3.31Å; D81-R94 PolarHBondContact O-NE 3.31Å; S91-R94 PolarHBondContact O-N 2.89Å; R94-D96 PolarHBondContact O-N 3.2Å; R94-L97 VanDerWaalsContact O-CB 3.29Å; R94-L97 WeakPolarHBondContact O-CB 3.47Å; R94-L97 PolarHBondContact O-N 3.3Å; R94-L97 VanDerWaalsContact O-N 3.09Å
95	R	77	Confident	86.5	Confident	211 Å²	211	66.7 Å²	66.7	80%	0.796	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-59.9	-32.5	176.1	-60.7	-172.8	-152.7	153.5	7	111.7	Y93 L97 R122	Y93-R95 PolarHBondContact O-N 2.83Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-R122 PolarHBondContact O-NH1 2.85Å; R95-R122 PolarHBondContact O-NH2 3.23Å
96	D	83.2	Confident	86.4	Confident	67 Å²	67	66.7 Å²	66.7	36%	0.358	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-98	8.4	-178.3	-49.3	-28.3	0	0	0	111.4	Y93 R94 H108 I109	Y93-D96 WeakPolarHBondContact O-CA 3.42Å; Y93-D96 PolarHBondContact O-N 3.45Å; R94-D96 PolarHBondContact O-N 3.2Å; D96-H108 CarbonylContact O-C 3.55Å; D96-H108 WeakPolarHBondContact O-CA 3.39Å; D96-I109 HydrophobicContact CB-CD1 4.04Å; D96-I109 HydrophobicContact CB-CG1 4.42Å; D96-I109 WeakPolarHBondContact O-CG1 3.12Å; D96-I109 PolarHBondContact O-N 3.36Å
97	L	87.8	Confident	86.4	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.089	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123	171.5	-166.2	86	0	0	0	109.2	K83 C85 Y93 R94 R95 F107	K83-L97 HydrophobicContact CB-CD2 3.62Å; K83-L97 HydrophobicContact CG-CD2 3.83Å; K83-L97 WeakPolarHBondContact O-CD2 3.47Å; C85-L97 HydrophobicContact CB-CD1 3.77Å; Y93-L97 PolarHBondContact O-N 2.95Å; R94-L97 VanDerWaalsContact O-CB 3.29Å; R94-L97 WeakPolarHBondContact O-CB 3.47Å; R94-L97 PolarHBondContact O-N 3.3Å; R94-L97 VanDerWaalsContact O-N 3.09Å; R95-L97 VanDerWaalsContact C-N 3.34Å; L97-F107 CarbonylContact C-O 3.6Å; L97-F107 WeakPolarHBondContact CA-O 3.42Å
98	I	87.2	Confident	86.3	Confident	26 Å²	26	61.2 Å²	61.2	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	149	171.4	48.3	158.7	0	0	0	109.1	G106 F107 I109 H112 L116 L126	I98-G106 CarbonylContact O-C 3.5Å; I98-G106 VanDerWaalsContact O-CA 3.26Å; I98-G106 WeakPolarHBondContact O-CA 3.39Å; I98-F107 HydrophobicContact CD1-CB 3.87Å; I98-F107 HydrophobicContact CG1-CB 3.89Å; I98-F107 WeakPolarHBondContact CG1-O 3.41Å; I98-F107 PolarHBondContact N-O 3.41Å; I98-F107 PolarHBondContact O-N 3.27Å; I98-I109 HydrophobicContact CG2-CG1 4.46Å; I98-H112 HydrophobicContact CD1-CB 4.16Å; I98-L116 HydrophobicContact CD1-CD1 3.14Å; I98-L116 HydrophobicContact CD1-CG 4.5Å; I98-L116 HydrophobicContact CG1-CD1 4.37Å; I98-L126 HydrophobicContact CB-CD2 3.54Å; I98-L126 HydrophobicContact CD1-CD2 3.11Å; I98-L126 HydrophobicContact CD1-CG 4.5Å; I98-L126 HydrophobicContact CG1-CD2 3.83Å; I98-L126 HydrophobicContact CG2-CD2 4Å
99	I	89.6	Confident	86	Confident	47 Å²	47	59.1 Å²	59.1	24%	0.241	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134	176.4	-58	179.1	0	0	0	107.3	K83 D104	K83-I99 HydrophobicContact CB-CD1 4.42Å; K83-I99 HydrophobicContact CG-CD1 4.39Å; K83-I99 HydrophobicContact CG-CG1 4.3Å; I99-D104 VanDerWaalsContact CG2-OD1 3.29Å; I99-D104 WeakPolarHBondContact CG2-OD1 3.45Å
100	C	88.5	Confident	85.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.007	27%	0.268	C	S	.	.			trans	-75.4	121.3	174.1	178.4	0	0	0	0	109.8	A102 C103 D104 K105 F107 L126 C128	C100-A102 PolarHBondContact O-N 3.34Å; C100-A102 VanDerWaalsContact O-N 3.12Å; C100-A102 PolarHBondContact SG-N 3.37Å; C100-A102 VanDerWaalsContact SG-N 3.4Å; C100-C103 PolarHBondContact O-N 3.44Å; C100-C103 PolarHBondContact SG-SG 2.82Å; C100-D104 WeakPolarHBondContact O-CA 3.5Å; C100-D104 PolarHBondContact O-N 3.08Å; C100-K105 PolarHBondContact N-O 3.29Å; C100-F107 HydrophobicContact CB-CE2 4.17Å; C100-L126 CarbonylContact C-O 3.45Å; C100-L126 VanDerWaalsContact CA-O 3.25Å; C100-L126 WeakPolarHBondContact CA-O 3.44Å; C100-C128 HydrophobicContact CB-CB 4.03Å; C100-C128 PolarHBondContact SG-N 3.23Å
101	D	85.5	Confident	85.7	Confident	89 Å²	89	57.4 Å²	57.4	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.6	178.1	-62.5	-57	0	0	0	113	P125 L126	D101-P125 HydrophobicContact CB-CB 4.36Å; D101-P125 VanDerWaalsContact OD2-C 3.26Å; D101-P125 WeakPolarHBondContact OD2-CA 3.36Å; D101-P125 VanDerWaalsContact OD2-CB 3.28Å; D101-P125 WeakPolarHBondContact OD2-CB 3.1Å; D101-L126 PolarHBondContact N-O 2.91Å; D101-L126 PolarHBondContact OD2-N 2.86Å
102	A	85.9	Confident	85.6	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.025	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-23.6	179	0	0	0	0	0	115.4	W65 C100 V127 C131 Y136	W65-A102 HydrophobicContact CH2-CB 3.75Å; W65-A102 WeakPolarHBondContact CH2-O 3.4Å; W65-A102 HydrophobicContact CZ2-CB 4.37Å; W65-A102 WeakPolarHBondContact CZ2-O 3.35Å; C100-A102 PolarHBondContact O-N 3.34Å; C100-A102 VanDerWaalsContact O-N 3.12Å; C100-A102 PolarHBondContact SG-N 3.37Å; C100-A102 VanDerWaalsContact SG-N 3.4Å; A102-V127 HydrophobicContact CB-CG1 4.14Å; A102-V127 HydrophobicContact CB-CG2 4.16Å; A102-C131 HydrophobicContact CB-CB 3.87Å; A102-Y136 HydrophobicContact CB-CD1 4.03Å; A102-Y136 HydrophobicContact CB-CD2 4.45Å; A102-Y136 HydrophobicContact CB-CG 3.92Å
103	C	88.2	Confident	85.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.014	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	5.1	-178.6	66.8	0	0	0	0	114.6	C100 K105 C128 C131	C100-C103 PolarHBondContact O-N 3.44Å; C100-C103 PolarHBondContact SG-SG 2.82Å; C103-K105 HydrophobicContact CB-CG 4.31Å; C103-K105 WeakPolarHBondContact O-CG 3.49Å; C103-K105 PolarHBondContact O-N 3Å; C103-C128 VanDerWaalsContact SG-SG 3.67Å; C103-C131 VanDerWaalsContact CB-SG 3.53Å; C103-C131 PolarHBondContact SG-SG 2.88Å
104	D	90.6	Very high	85.8	Confident	15 Å²	15	57 Å²	57	8%	0.08	26%	0.262	C	S	.	.			trans	54.4	18.1	179.9	-174.6	43.3	0	0	0	114.3	Y64 W77 K83 I99 C100	Y64-D104 HydrophobicContact CE1-CB 4.28Å; Y64-D104 HydrophobicContact CE2-CB 4.45Å; Y64-D104 WeakPolarHBondContact OH-CB 3.34Å; Y64-D104 PolarHBondContact OH-OD1 2.89Å; Y64-D104 PolarHBondContact OH-OD2 2.63Å; W77-D104 PolarHBondContact NE1-OD2 3.05Å; K83-D104 WeakPolarHBondContact CD-O 3.47Å; K83-D104 WeakPolarHBondContact CE-O 3.47Å; K83-D104 WeakPolarHBondContact CE-OD1 3.37Å; K83-D104 PolarHBondContact NZ-O 3.33Å; K83-D104 IonicContact NZ-OD1 3.68Å; K83-D104 PolarHBondContact NZ-OD1 3.39Å; K83-D104 IonicContact NZ-OD2 3.92Å; K83-D104 PolarHBondContact NZ-OD2 2.74Å; I99-D104 VanDerWaalsContact CG2-OD1 3.29Å; I99-D104 WeakPolarHBondContact CG2-OD1 3.45Å; C100-D104 WeakPolarHBondContact O-CA 3.5Å; C100-D104 PolarHBondContact O-N 3.08Å
105	K	90.7	Very high	85.9	Confident	67 Å²	67	57 Å²	57	29%	0.291	27%	0.265	S	S	.	.			trans	-81	135.3	176.8	-66.5	-167.5	-166.7	-45.5	0	110.3	E72 T86 C100 C103 F107	E72-K105 IonicContact OE1-NZ 2.6Å; T86-K105 HydrophobicContact CG2-CD 4.17Å; C100-K105 PolarHBondContact N-O 3.29Å; C103-K105 HydrophobicContact CB-CG 4.31Å; C103-K105 WeakPolarHBondContact O-CG 3.49Å; C103-K105 PolarHBondContact O-N 3Å; K105-F107 HydrophobicContact CB-CE2 3.59Å; K105-F107 HydrophobicContact CB-CZ 3.78Å; K105-F107 WeakPolarHBondContact O-CD2 3.21Å; K105-F107 VanDerWaalsContact O-CE2 3.31Å; K105-F107 WeakPolarHBondContact O-CE2 3.23Å
106	G	91	Very high	85.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.8	174.6	0	0	0	0	0	112	C85 T86 I98	C85-G106 CarbonylContact C-O 3.47Å; C85-G106 WeakPolarHBondContact CA-O 3.48Å; T86-G106 PolarHBondContact N-O 2.96Å; T86-G106 PolarHBondContact OG1-O 3.16Å; I98-G106 CarbonylContact O-C 3.5Å; I98-G106 VanDerWaalsContact O-CA 3.26Å; I98-G106 WeakPolarHBondContact O-CA 3.39Å
107	F	90.5	Very high	84.9	Confident	21 Å²	21	52.2 Å²	52.2	9%	0.092	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.6	171.4	-56.4	-90.3	0	0	0	109.3	V87 L97 I98 C100 K105 H112 C128	V87-F107 HydrophobicContact CG2-CD1 4.06Å; V87-F107 HydrophobicContact CG2-CE1 4.4Å; L97-F107 CarbonylContact C-O 3.6Å; L97-F107 WeakPolarHBondContact CA-O 3.42Å; I98-F107 HydrophobicContact CD1-CB 3.87Å; I98-F107 HydrophobicContact CG1-CB 3.89Å; I98-F107 WeakPolarHBondContact CG1-O 3.41Å; I98-F107 PolarHBondContact N-O 3.41Å; I98-F107 PolarHBondContact O-N 3.27Å; C100-F107 HydrophobicContact CB-CE2 4.17Å; K105-F107 HydrophobicContact CB-CE2 3.59Å; K105-F107 HydrophobicContact CB-CZ 3.78Å; K105-F107 WeakPolarHBondContact O-CD2 3.21Å; K105-F107 VanDerWaalsContact O-CE2 3.31Å; K105-F107 WeakPolarHBondContact O-CE2 3.23Å; F107-H112 HydrophobicContact CB-CB 4.27Å; F107-C128 HydrophobicContact CD2-CB 4.12Å; F107-C128 HydrophobicContact CE2-CB 3.44Å; F107-C128 VanDerWaalsContact CE2-CB 3.44Å; F107-C128 HydrophobicContact CZ-CB 3.73Å
108	H	89.8	Confident	83.6	Confident	16 Å²	16	59.5 Å²	59.5	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	149.1	162.3	-62.4	125.6	0	0	0	109.1	C85 C88 N90 E92 D96 E110 C111 H112	C85-H108 WeakPolarHBondContact CB-CE1 3.41Å; C85-H108 VanDerWaalsContact CB-ND1 3.3Å; C85-H108 WeakPolarHBondContact CB-ND1 3.31Å; C85-H108 PolarHBondContact SG-N 3.22Å; C85-H108 VanDerWaalsContact SG-N 3.44Å; C88-H108 VanDerWaalsContact SG-CE1 3.56Å; C88-H108 PolarHBondContact SG-ND1 3.23Å; C88-H108 VanDerWaalsContact SG-ND1 3.41Å; N90-H108 PolarHBondContact O-CE1 2.88Å; E92-H108 PolarHBondContact O-CE1 2.82Å; E92-H108 VanDerWaalsContact O-CE1 3.24Å; E92-H108 PolarHBondContact O-NE2 3.39Å; D96-H108 CarbonylContact O-C 3.55Å; D96-H108 WeakPolarHBondContact O-CA 3.39Å; H108-E110 PolarHBondContact O-N 3.49Å; H108-E110 VanDerWaalsContact O-N 3.16Å; H108-C111 HydrophobicContact CB-CB 3.98Å; H108-C111 CarbonylContact O-C 3.59Å; H108-C111 WeakPolarHBondContact O-CA 3.17Å; H108-C111 PolarHBondContact O-N 3.44Å; H108-H112 PolarHBondContact O-N 3.46Å
109	I	84.7	Confident	82.5	Confident	18 Å²	18	62.4 Å²	62.4	9%	0.092	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-45.9	172.7	-70.1	169.4	0	0	0	111.2	D96 I98 L116	D96-I109 HydrophobicContact CB-CD1 4.04Å; D96-I109 HydrophobicContact CB-CG1 4.42Å; D96-I109 WeakPolarHBondContact O-CG1 3.12Å; D96-I109 PolarHBondContact O-N 3.36Å; I98-I109 HydrophobicContact CG2-CG1 4.46Å; I109-L116 HydrophobicContact CG2-CB 4.14Å; I109-L116 WeakPolarHBondContact CG2-O 3.26Å
110	E	85.5	Confident	81.1	Confident	116 Å²	116	63.1 Å²	63.1	54%	0.542	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.3	179.3	-70.6	-58.6	124	0	0	114.7	H108 K115	H108-E110 PolarHBondContact O-N 3.49Å; H108-E110 VanDerWaalsContact O-N 3.16Å; E110-K115 WeakPolarHBondContact OE2-CE 3.49Å; E110-K115 IonicContact OE2-NZ 2.69Å; E110-K115 PolarHBondContact OE2-NZ 3.14Å
111	C	88.1	Confident	79.7	Confident	31 Å²	31	68.3 Å²	68.3	21%	0.209	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-22	178.5	-69.4	0	0	0	0	112.4	C85 V87 H108	C85-C111 VanDerWaalsContact SG-CB 3.56Å; V87-C111 HydrophobicContact CB-CB 3.86Å; V87-C111 HydrophobicContact CG1-CB 4.2Å; V87-C111 HydrophobicContact CG2-CB 4.11Å; H108-C111 HydrophobicContact CB-CB 3.98Å; H108-C111 CarbonylContact O-C 3.59Å; H108-C111 WeakPolarHBondContact O-CA 3.17Å; H108-C111 PolarHBondContact O-N 3.44Å
112	H	83.5	Confident	78.6	Confident	10 Å²	10	72.6 Å²	72.6	5%	0.046	35%	0.348	C	S	.	.	S	Bend	trans	-66.1	145.9	176.6	-167.5	-88.9	0	0	0	110.6	I98 F107 H108 P114 K115 L116 C128	I98-H112 HydrophobicContact CD1-CB 4.16Å; F107-H112 HydrophobicContact CB-CB 4.27Å; H108-H112 PolarHBondContact O-N 3.46Å; H112-P114 CarbonylContact C-O 3.42Å; H112-P114 PolarHBondContact ND1-O 2.83Å; H112-P114 CarbonylContact O-C 3.55Å; H112-K115 WeakPolarHBondContact O-CA 3.21Å; H112-K115 PolarHBondContact O-N 3.41Å; H112-L116 HydrophobicContact CB-CD1 4.02Å; H112-L116 HydrophobicContact CB-CG 4.03Å; H112-L116 WeakPolarHBondContact ND1-CG 3.29Å; H112-C128 WeakPolarHBondContact NE2-CA 3.35Å
113	R	81.4	Confident	77.6	Confident	205 Å²	205	79.7 Å²	79.7	77%	0.774	38%	0.384	S	S	*	.	S	Bend	trans	-128.3	124.5	175.1	-70.1	-168.4	-178	151.6	2.5	108.7	A129	R113-A129 WeakPolarHBondContact O-CB 3.48Å
114	P	80.3	Confident	76.7	Confident	99 Å²	99	83.7 Å²	83.7	64%	0.643	41%	0.405	S	S	*	.	S	Bend	cis	-59.4	154.7	-7.7	28.7	-35.6	0	0	0	111.6	H112 L116	H112-P114 CarbonylContact C-O 3.42Å; H112-P114 PolarHBondContact ND1-O 2.83Å; H112-P114 CarbonylContact O-C 3.55Å; P114-L116 PolarHBondContact O-N 3.22Å
115	K	74	Confident	75.9	Confident	136 Å²	136	85.9 Å²	85.9	59%	0.591	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-58	134.5	176	-73.2	-166.9	175.9	-161.2	0	108.8	E110 H112	E110-K115 WeakPolarHBondContact OE2-CE 3.49Å; E110-K115 IonicContact OE2-NZ 2.69Å; E110-K115 PolarHBondContact OE2-NZ 3.14Å; H112-K115 WeakPolarHBondContact O-CA 3.21Å; H112-K115 PolarHBondContact O-N 3.41Å
116	L	72.4	Confident	75.4	Confident	27 Å²	27	84 Å²	84	14%	0.141	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-85.3	141.3	178	-63.9	179.2	0	0	0	108.8	I98 I109 H112 P114 I120 L126	I98-L116 HydrophobicContact CD1-CD1 3.14Å; I98-L116 HydrophobicContact CD1-CG 4.5Å; I98-L116 HydrophobicContact CG1-CD1 4.37Å; I109-L116 HydrophobicContact CG2-CB 4.14Å; I109-L116 WeakPolarHBondContact CG2-O 3.26Å; H112-L116 HydrophobicContact CB-CD1 4.02Å; H112-L116 HydrophobicContact CB-CG 4.03Å; H112-L116 WeakPolarHBondContact ND1-CG 3.29Å; P114-L116 PolarHBondContact O-N 3.22Å; L116-I120 HydrophobicContact CB-CD1 3.46Å; L116-I120 VanDerWaalsContact CB-CD1 3.46Å; L116-I120 HydrophobicContact CD1-CD1 3.73Å; L116-I120 HydrophobicContact CD2-CD1 3.44Å; L116-I120 VanDerWaalsContact CD2-CD1 3.44Å; L116-I120 HydrophobicContact CG-CD1 3.67Å; L116-L126 HydrophobicContact CD1-CD1 4.09Å; L116-L126 HydrophobicContact CD1-CD2 3.9Å; L116-L126 HydrophobicContact CD2-CD1 4.46Å
117	E	68.6	Low	75.1	Confident	151 Å²	151	85.4 Å²	85.4	71%	0.706	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-76.5	141.1	169.4	-65.1	-175.6	169.3	0	0	108.3	S119 I120	E117-S119 PolarHBondContact O-N 2.82Å; E117-I120 WeakPolarHBondContact O-CG1 3.29Å; E117-I120 PolarHBondContact O-N 3.12Å; E117-I120 VanDerWaalsContact O-N 3.14Å
118	E	60.7	Low	74.9	Confident	169 Å²	169	84.5 Å²	84.5	79%	0.79	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.5	-176	-69.8	179.4	171.3	0	0	113.6	I120	E118-I120 VanDerWaalsContact C-N 3.26Å; E118-I120 PolarHBondContact O-N 3.38Å
119	S	62	Low	74.7	Confident	88 Å²	88	85.2 Å²	85.2	62%	0.615	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	16	179.4	64.5	0	0	0	0	114.6	E117 D121	E117-S119 PolarHBondContact O-N 2.82Å; S119-D121 PolarHBondContact O-N 3.47Å
120	I	61.6	Low	74.8	Confident	61 Å²	61	88 Å²	88	31%	0.313	45%	0.447	S	S	.	.			trans	-65.2	107.8	168.8	-67.4	178.3	0	0	0	107.5	L116 E117 E118 R122 L126	L116-I120 HydrophobicContact CB-CD1 3.46Å; L116-I120 VanDerWaalsContact CB-CD1 3.46Å; L116-I120 HydrophobicContact CD1-CD1 3.73Å; L116-I120 HydrophobicContact CD2-CD1 3.44Å; L116-I120 VanDerWaalsContact CD2-CD1 3.44Å; L116-I120 HydrophobicContact CG-CD1 3.67Å; E117-I120 WeakPolarHBondContact O-CG1 3.29Å; E117-I120 PolarHBondContact O-N 3.12Å; E117-I120 VanDerWaalsContact O-N 3.14Å; E118-I120 VanDerWaalsContact C-N 3.26Å; E118-I120 PolarHBondContact O-N 3.38Å; I120-R122 PolarHBondContact O-N 3.19Å; I120-L126 HydrophobicContact CD1-CD1 4.3Å
121	D	59.1	Low	74.8	Confident	110 Å²	110	82.5 Å²	82.5	59%	0.588	42%	0.422	S	S	*	.			trans	-52.3	108.1	167.9	-69.8	-43.5	0	0	0	107	S119 I123 L124	S119-D121 PolarHBondContact O-N 3.47Å; D121-I123 HydrophobicContact CB-CB 4.46Å; D121-I123 PolarHBondContact O-N 3.32Å; D121-L124 PolarHBondContact O-N 3.34Å
122	R	62.7	Low	74.6	Confident	180 Å²	180	85.2 Å²	85.2	68%	0.679	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	5.8	176	-57.2	-177	-171.1	-136.1	-4.2	113.6	R95 I120	R95-R122 PolarHBondContact O-NH1 2.85Å; R95-R122 PolarHBondContact O-NH2 3.23Å; I120-R122 PolarHBondContact O-N 3.19Å
123	I	64.3	Low	74.6	Confident	152 Å²	152	91.2 Å²	91.2	78%	0.779	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-29.7	179.2	-53	175.6	0	0	0	109.9	D121	D121-I123 HydrophobicContact CB-CB 4.46Å; D121-I123 PolarHBondContact O-N 3.32Å
124	L	68.5	Low	74.7	Confident	86 Å²	86	86.9 Å²	86.9	45%	0.45	45%	0.452	S	S	.	.	S	Bend	trans	-85.3	143	177.8	-69.1	178.2	0	0	0	110.7	D121 L126 I140	D121-L124 PolarHBondContact O-N 3.34Å; L124-L126 PolarHBondContact O-N 3.26Å; L124-I140 HydrophobicContact CD2-CG2 4.26Å
125	P	74.1	Confident	74.8	Confident	61 Å²	61	83.8 Å²	83.8	40%	0.396	44%	0.438	S	S	.	.			trans	-60	136.2	172.8	-19.1	29.1	0	0	0	110.3	D101 V138	D101-P125 HydrophobicContact CB-CB 4.36Å; D101-P125 VanDerWaalsContact OD2-C 3.26Å; D101-P125 WeakPolarHBondContact OD2-CA 3.36Å; D101-P125 VanDerWaalsContact OD2-CB 3.28Å; D101-P125 WeakPolarHBondContact OD2-CB 3.1Å; P125-V138 HydrophobicContact CB-CB 4.43Å; P125-V138 HydrophobicContact CB-CG1 3.58Å; P125-V138 HydrophobicContact CB-CG2 4.07Å; P125-V138 HydrophobicContact CG-CG1 3.62Å; P125-V138 VanDerWaalsContact O-CG2 3.29Å; P125-V138 WeakPolarHBondContact O-CG2 3.41Å
126	L	81	Confident	75	Confident	28 Å²	28	80.7 Å²	80.7	15%	0.147	42%	0.423	C	S	.	.			trans	-110.9	124.8	178.8	-173	78.7	0	0	0	110	I98 C100 D101 L116 I120 L124	I98-L126 HydrophobicContact CB-CD2 3.54Å; I98-L126 HydrophobicContact CD1-CD2 3.11Å; I98-L126 HydrophobicContact CD1-CG 4.5Å; I98-L126 HydrophobicContact CG1-CD2 3.83Å; I98-L126 HydrophobicContact CG2-CD2 4Å; C100-L126 CarbonylContact C-O 3.45Å; C100-L126 VanDerWaalsContact CA-O 3.25Å; C100-L126 WeakPolarHBondContact CA-O 3.44Å; D101-L126 PolarHBondContact N-O 2.91Å; D101-L126 PolarHBondContact OD2-N 2.86Å; L116-L126 HydrophobicContact CD1-CD1 4.09Å; L116-L126 HydrophobicContact CD1-CD2 3.9Å; L116-L126 HydrophobicContact CD2-CD1 4.46Å; I120-L126 HydrophobicContact CD1-CD1 4.3Å; L124-L126 PolarHBondContact O-N 3.26Å
127	V	83.9	Confident	74.8	Confident	28 Å²	28	86.8 Å²	86.8	17%	0.17	44%	0.444	C	S	.	.			trans	-113.3	127.8	175.7	176.7	0	0	0	0	108.9	A102 C131 H132 V138	A102-V127 HydrophobicContact CB-CG1 4.14Å; A102-V127 HydrophobicContact CB-CG2 4.16Å; V127-C131 HydrophobicContact CG1-CB 3.4Å; V127-H132 HydrophobicContact CG1-CB 4.45Å; V127-V138 HydrophobicContact CB-CG2 4.16Å; V127-V138 HydrophobicContact CG2-CG2 3.45Å; V127-V138 VanDerWaalsContact CG2-CG2 3.45Å
128	C	86.6	Confident	74.5	Confident	3 Å²	3	81.9 Å²	81.9	2%	0.02	42%	0.424	C	S	.	.			trans	-68.8	158.2	179.3	75.1	0	0	0	0	111.5	C100 C103 F107 H112 S130 C131 H132	C100-C128 HydrophobicContact CB-CB 4.03Å; C100-C128 PolarHBondContact SG-N 3.23Å; C103-C128 VanDerWaalsContact SG-SG 3.67Å; F107-C128 HydrophobicContact CD2-CB 4.12Å; F107-C128 HydrophobicContact CE2-CB 3.44Å; F107-C128 VanDerWaalsContact CE2-CB 3.44Å; F107-C128 HydrophobicContact CZ-CB 3.73Å; H112-C128 WeakPolarHBondContact NE2-CA 3.35Å; C128-S130 VanDerWaalsContact C-N 3.26Å; C128-S130 PolarHBondContact O-N 3.41Å; C128-C131 PolarHBondContact O-N 3.39Å; C128-C131 VanDerWaalsContact O-N 3.07Å; C128-C131 VanDerWaalsContact SG-SG 3.69Å; C128-H132 PolarHBondContact O-N 3.42Å
129	A	85.2	Confident	74.2	Confident	31 Å²	31	76.7 Å²	76.7	26%	0.256	41%	0.411	S	S	.	.	H	α-helix	trans	-56.2	-37.3	-178.3	0	0	0	0	0	114	R113 C131 H132 D133	R113-A129 WeakPolarHBondContact O-CB 3.48Å; A129-C131 PolarHBondContact O-N 2.86Å; A129-H132 WeakPolarHBondContact O-CB 3.31Å; A129-H132 PolarHBondContact O-N 2.94Å; A129-D133 WeakPolarHBondContact O-CB 3.28Å; A129-D133 VanDerWaalsContact O-CG 3.22Å; A129-D133 PolarHBondContact O-N 3.12Å
130	S	86.5	Confident	73.6	Confident	75 Å²	75	77.6 Å²	77.6	52%	0.524	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-44.9	176.4	-57.5	0	0	0	0	112.2	C128 H132 D133 E134	C128-S130 VanDerWaalsContact C-N 3.26Å; C128-S130 PolarHBondContact O-N 3.41Å; S130-H132 VanDerWaalsContact C-N 3.35Å; S130-D133 PolarHBondContact O-N 3.22Å; S130-E134 WeakPolarHBondContact O-CG 3.28Å; S130-E134 PolarHBondContact O-N 2.91Å
131	C	86.2	Confident	72.7	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.014	42%	0.416	C	S	.	.	H	α-helix	trans	-68.9	-36.1	176	-71.8	0	0	0	0	111.7	A102 C103 V127 C128 A129 D133 E134 G135 Y136	A102-C131 HydrophobicContact CB-CB 3.87Å; C103-C131 VanDerWaalsContact CB-SG 3.53Å; C103-C131 PolarHBondContact SG-SG 2.88Å; V127-C131 HydrophobicContact CG1-CB 3.4Å; C128-C131 PolarHBondContact O-N 3.39Å; C128-C131 VanDerWaalsContact O-N 3.07Å; C128-C131 VanDerWaalsContact SG-SG 3.69Å; A129-C131 PolarHBondContact O-N 2.86Å; C131-D133 VanDerWaalsContact C-N 3.32Å; C131-D133 PolarHBondContact O-N 2.06Å; C131-E134 PolarHBondContact O-N 2.97Å; C131-G135 PolarHBondContact O-N 3.47Å; C131-G135 VanDerWaalsContact O-N 3.16Å; C131-Y136 HydrophobicContact CB-CD2 3.85Å; C131-Y136 HydrophobicContact CB-CG 4.25Å; C131-Y136 WeakPolarHBondContact O-CB 3.44Å; C131-Y136 WeakPolarHBondContact O-CD2 3.1Å; C131-Y136 PolarHBondContact O-N 3.38Å
132	H	83.4	Confident	71.6	Confident	88 Å²	88	80 Å²	80	41%	0.407	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-42.1	173.5	-177.2	-86.7	0	0	0	111.6	V127 C128 A129 S130 E134 G135 R137	V127-H132 HydrophobicContact CG1-CB 4.45Å; C128-H132 PolarHBondContact O-N 3.42Å; A129-H132 WeakPolarHBondContact O-CB 3.31Å; A129-H132 PolarHBondContact O-N 2.94Å; S130-H132 VanDerWaalsContact C-N 3.35Å; H132-E134 VanDerWaalsContact C-N 3.35Å; H132-G135 PolarHBondContact O-N 3.48Å; H132-G135 VanDerWaalsContact O-N 3.11Å; H132-R137 PolarHBondContact O-NH1 3.28Å
133	D	85	Confident	70.5	Confident	135 Å²	135	78 Å²	78	72%	0.722	43%	0.428	S	S	*	.	H	α-helix	trans	-67.9	-33.5	176	-69.1	-17.3	0	0	0	112.1	A129 S130 C131 G135	A129-D133 WeakPolarHBondContact O-CB 3.28Å; A129-D133 VanDerWaalsContact O-CG 3.22Å; A129-D133 PolarHBondContact O-N 3.12Å; S130-D133 PolarHBondContact O-N 3.22Å; C131-D133 VanDerWaalsContact C-N 3.32Å; C131-D133 PolarHBondContact O-N 2.06Å; D133-G135 PolarHBondContact O-N 3.29Å
134	E	83.4	Confident	69	Low	114 Å²	114	76.2 Å²	76.2	53%	0.533	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.8	171.3	-74	171.2	-161.5	0	0	113.4	S130 C131 H132 Y136	S130-E134 WeakPolarHBondContact O-CG 3.28Å; S130-E134 PolarHBondContact O-N 2.91Å; C131-E134 PolarHBondContact O-N 2.97Å; H132-E134 VanDerWaalsContact C-N 3.35Å; E134-Y136 HydrophobicContact CB-CD2 4.03Å; E134-Y136 HydrophobicContact CB-CE2 4.2Å
135	G	81	Confident	67.6	Low	35 Å²	35	78 Å²	78	36%	0.361	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.5	1.2	177.5	0	0	0	0	0	115.1	C131 H132 D133 R137	C131-G135 PolarHBondContact O-N 3.47Å; C131-G135 VanDerWaalsContact O-N 3.16Å; H132-G135 PolarHBondContact O-N 3.48Å; H132-G135 VanDerWaalsContact O-N 3.11Å; D133-G135 PolarHBondContact O-N 3.29Å; G135-R137 VanDerWaalsContact C-NH1 3.31Å; G135-R137 PolarHBondContact O-N 3.17Å; G135-R137 PolarHBondContact O-NH1 2.9Å
136	Y	79	Confident	65.6	Low	70 Å²	70	78.1 Å²	78.1	28%	0.275	46%	0.458	S	S	.	.			trans	-64.7	135	171.8	-67.5	-84.4	0	0	0	110	W65 A102 C131 E134	W65-Y136 AromaticContact CH2-CD1 3.82Å; W65-Y136 HydrophobicContact CH2-CD1 3.82Å; W65-Y136 AromaticContact CH2-CE1 3.56Å; W65-Y136 HydrophobicContact CH2-CE1 3.56Å; W65-Y136 AromaticContact CZ2-CD1 3.98Å; W65-Y136 HydrophobicContact CZ2-CD1 3.98Å; W65-Y136 AromaticContact CZ2-CE1 3.24Å; W65-Y136 HydrophobicContact CZ2-CE1 3.24Å; W65-Y136 AromaticContact CZ2-CZ 3.76Å; A102-Y136 HydrophobicContact CB-CD1 4.03Å; A102-Y136 HydrophobicContact CB-CD2 4.45Å; A102-Y136 HydrophobicContact CB-CG 3.92Å; C131-Y136 HydrophobicContact CB-CD2 3.85Å; C131-Y136 HydrophobicContact CB-CG 4.25Å; C131-Y136 WeakPolarHBondContact O-CB 3.44Å; C131-Y136 WeakPolarHBondContact O-CD2 3.1Å; C131-Y136 PolarHBondContact O-N 3.38Å; E134-Y136 HydrophobicContact CB-CD2 4.03Å; E134-Y136 HydrophobicContact CB-CE2 4.2Å
137	R	67.5	Low	63.6	Low	156 Å²	156	83.3 Å²	83.3	59%	0.589	49%	0.486	S	S	*	.			trans	-132.2	143.2	178.2	-63.6	-66.2	-179	-83.1	1.9	108.8	H132 G135	H132-R137 PolarHBondContact O-NH1 3.28Å; G135-R137 VanDerWaalsContact C-NH1 3.31Å; G135-R137 PolarHBondContact O-N 3.17Å; G135-R137 PolarHBondContact O-NH1 2.9Å
138	V	62.8	Low	61.7	Low	47 Å²	47	86.5 Å²	86.5	29%	0.285	51%	0.505	S	S	.	.			trans	-79.5	119	170.9	179.8	0	0	0	0	107.6	P125 V127 I140	P125-V138 HydrophobicContact CB-CB 4.43Å; P125-V138 HydrophobicContact CB-CG1 3.58Å; P125-V138 HydrophobicContact CB-CG2 4.07Å; P125-V138 HydrophobicContact CG-CG1 3.62Å; P125-V138 VanDerWaalsContact O-CG2 3.29Å; P125-V138 WeakPolarHBondContact O-CG2 3.41Å; V127-V138 HydrophobicContact CB-CG2 4.16Å; V127-V138 HydrophobicContact CG2-CG2 3.45Å; V127-V138 VanDerWaalsContact CG2-CG2 3.45Å; V138-I140 HydrophobicContact CG1-CG1 3.97Å; V138-I140 PolarHBondContact O-N 3.35Å; V138-I140 VanDerWaalsContact O-N 3.17Å
139	A	53.7	Low	59.6	Low	61 Å²	61	94 Å²	94	50%	0.504	54%	0.538	S	S	.	.			trans	-74.1	100.7	165.1	0	0	0	0	0	107.7	D141 V148	A139-D141 VanDerWaalsContact C-N 3.29Å; A139-D141 PolarHBondContact O-N 3.43Å; A139-D141 VanDerWaalsContact O-N 3.12Å; A139-V148 HydrophobicContact CB-CG1 4.47Å
140	I	50.6	Low	57.5	Low	106 Å²	106	96.5 Å²	96.5	54%	0.544	56%	0.559	S	S	.	*			trans	-81	85.6	169.2	-54.8	178.2	0	0	0	106.6	L124 V138 T142	L124-I140 HydrophobicContact CD2-CG2 4.26Å; V138-I140 HydrophobicContact CG1-CG1 3.97Å; V138-I140 PolarHBondContact O-N 3.35Å; V138-I140 VanDerWaalsContact O-N 3.17Å; I140-T142 PolarHBondContact O-N 3.38Å
141	D	43.2	Very low	55.7	Low	93 Å²	93	96 Å²	96	50%	0.497	56%	0.555	S	S	.	*			trans	-71	98.3	176.1	-79.8	-25.9	0	0	0	109.9	A139 L143 V148	A139-D141 VanDerWaalsContact C-N 3.29Å; A139-D141 PolarHBondContact O-N 3.43Å; A139-D141 VanDerWaalsContact O-N 3.12Å; D141-L143 PolarHBondContact O-N 3.21Å; D141-L143 VanDerWaalsContact O-N 3.15Å; D141-V148 HydrophobicContact CB-CG2 4.18Å; D141-V148 WeakPolarHBondContact OD2-CG2 3.03Å
142	T	35	Very low	54.1	Low	129 Å²	129	100.2 Å²	100.2	79%	0.791	58%	0.584	S	S	*	*			trans	-83.7	68	163.9	-40.4	0	0	0	0	108	I140	I140-T142 PolarHBondContact O-N 3.38Å
143	L	38.7	Very low	52.3	Low	138 Å²	138	102.5 Å²	102.5	72%	0.723	60%	0.595	S	S	*	*			trans	-138.9	136.7	174.2	-75.3	176.7	0	0	0	112.4	D141	D141-L143 PolarHBondContact O-N 3.21Å; D141-L143 VanDerWaalsContact O-N 3.15Å
144	P	33.1	Very low	50.8	Low	115 Å²	115	101.5 Å²	101.5	75%	0.747	59%	0.59	S	S	*	*	S	Bend	trans	-75.2	131.3	177.9	31.5	-30.3	0	0	0	108.8
145	S	40.3	Very low	49.1	Very low	123 Å²	123	104 Å²	104	86%	0.86	60%	0.599	S	S	*	*	S	Bend	trans	91.5	87.4	-179.1	-35.4	0	0	0	0	112.6
146	G	32.4	Very low	47.6	Very low	64 Å²	64	106.5 Å²	106.5	66%	0.66	61%	0.611	S	S	*	*			trans	-69	139	-171.8	0	0	0	0	0	114.5
147	N	38.1	Very low	46.3	Very low	136 Å²	136	108.8 Å²	108.8	73%	0.727	63%	0.627	S	S	*	*			trans	-168.7	115.2	136.1	-83.1	-12.8	0	0	0	106.5	F149	N147-F149 HydrophobicContact CB-CE2 3.92Å; N147-F149 HydrophobicContact CB-CZ 4.45Å
148	V	44	Very low	45.6	Very low	95 Å²	95	108.5 Å²	108.5	58%	0.576	63%	0.634	S	S	*	*			trans	-104.1	122.4	174.7	-170.6	0	0	0	0	107.6	A139 D141	A139-V148 HydrophobicContact CB-CG1 4.47Å; D141-V148 HydrophobicContact CB-CG2 4.18Å; D141-V148 WeakPolarHBondContact OD2-CG2 3.03Å
149	F	42.8	Very low	45.1	Very low	162 Å²	162	111.2 Å²	111.2	71%	0.711	66%	0.655	S	S	*	*			trans	-108.3	121.7	172.7	-64.9	-84	0	0	0	108.7	N147 S151	N147-F149 HydrophobicContact CB-CE2 3.92Å; N147-F149 HydrophobicContact CB-CZ 4.45Å; F149-S151 PolarHBondContact O-N 3.42Å
150	A	41.4	Very low	45.4	Very low	83 Å²	83	113 Å²	113	69%	0.686	66%	0.664	S	S	*	*			trans	-78.1	98.3	163.1	0	0	0	0	0	107.8
151	S	48.4	Very low	45.6	Very low	63 Å²	63	118.5 Å²	118.5	44%	0.441	69%	0.693	S	S	.	*			trans	-138.3	142.1	164.3	75.1	0	0	0	0	110.9	F149 E153	F149-S151 PolarHBondContact O-N 3.42Å; S151-E153 PolarHBondContact O-N 3.07Å
152	S	52.1	Low	45.8	Very low	91 Å²	91	119.8 Å²	119.8	64%	0.636	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-8.7	177.3	45.3	0	0	0	0	114.3	L154 F155	S152-L154 VanDerWaalsContact C-N 3.25Å; S152-L154 PolarHBondContact O-N 3.26Å; S152-F155 PolarHBondContact O-N 3.37Å
153	E	45.6	Very low	46.3	Very low	136 Å²	136	119.3 Å²	119.3	64%	0.636	70%	0.698	S	S	*	*	H	α-helix	trans	-63.6	-24.5	-179.5	-63.5	-86.7	119.2	0	0	113.1	S151	S151-E153 PolarHBondContact O-N 3.07Å
154	L	53.1	Low	46.7	Very low	115 Å²	115	118.2 Å²	118.2	60%	0.602	70%	0.696	S	S	*	*	H	α-helix	trans	-78.6	-22.3	178.6	-75.3	171.2	0	0	0	113.9	S152 M158	S152-L154 VanDerWaalsContact C-N 3.25Å; S152-L154 PolarHBondContact O-N 3.26Å; L154-M158 PolarHBondContact O-N 3.09Å
155	F	49.2	Very low	47.5	Very low	165 Å²	165	118.4 Å²	118.4	72%	0.724	69%	0.693	S	S	*	*	H	α-helix	trans	-72.8	-33.7	-178.4	-140.3	-93.2	0	0	0	111.9	S152	S152-F155 PolarHBondContact O-N 3.37Å
156	S	49.2	Very low	48	Very low	89 Å²	89	118.1 Å²	118.1	62%	0.622	68%	0.683	S	S	*	*	H	α-helix	trans	-78.9	-29	176.7	-71.1	0	0	0	0	113.7	S160	S156-S160 PolarHBondContact O-OG 3.45Å
157	L	52.1	Low	49	Very low	118 Å²	118	121.7 Å²	121.7	62%	0.618	68%	0.684	S	S	*	*	H	α-helix	trans	-77	-28.4	178.3	-91.2	149.2	0	0	0	112.9
158	M	52.7	Low	49.8	Very low	149 Å²	149	120.7 Å²	120.7	73%	0.734	68%	0.681	S	S	*	*	H	α-helix	trans	-81.7	-20.7	177.3	-73.1	-166.4	55.4	0	0	114.8	L154 S160	L154-M158 PolarHBondContact O-N 3.09Å; M158-S160 VanDerWaalsContact C-N 3.33Å
159	C	51.6	Low	50.3	Low	105 Å²	105	122.7 Å²	122.7	71%	0.709	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	0.9	174.4	-79.1	0	0	0	0	114.1
160	S	60.4	Low	50.9	Low	99 Å²	99	119.4 Å²	119.4	69%	0.692	69%	0.688	S	S	*	*			trans	-113.7	10.8	-174.8	-54.8	0	0	0	0	114.3	S156 M158	S156-S160 PolarHBondContact O-OG 3.45Å; M158-S160 VanDerWaalsContact C-N 3.33Å
161	L	54.9	Low	51.8	Low	220 Å²	220	122.7 Å²	122.7	100%	1.152	69%	0.688	S	S	*	*			trans	-120.3	0	172.1	-70.1	173.7	0	0	0	110.1

Retrieved 161 of 161 residues in 26.6 ms (Link to these results)

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