A0A5K4FCW1_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB (A0A5K4F9B3), UniProt , Accession A0A5K4FCW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 aa.

						>A0A5K4FCW1_SCHMA|A0A5K4FCW1
MLVHNHLLFNEISFVHEIQLPGHQQTIMNCDSKFNDSFWSEVFKTVDKNHDGRINKKEFKKFMLTNGGKFTSSDIQKIFAYCDTDKSGYIDFQEFKNFMEGH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	44.4	Very low	240 Å²	240	147.5 Å²	147.5	100%	1.182	74%	0.743	S	S	*	*				0	59.5	0	-67.4	178.4	-169	0	0	109.9
2	L	38.9	Very low	44.7	Very low	173 Å²	173	141.9 Å²	141.9	91%	0.906	72%	0.716	S	S	*	*			trans	-138.3	70.6	-169.6	-81.7	158.4	0	0	0	109.1
3	V	44.8	Very low	44.6	Very low	134 Å²	134	138.2 Å²	138.2	81%	0.812	71%	0.711	S	S	*	*			trans	-142.9	13.4	-179	-142	0	0	0	0	115.2
4	H	45.6	Very low	44.7	Very low	177 Å²	177	132.4 Å²	132.4	82%	0.819	68%	0.678	S	S	*	*	S	Bend	trans	-128.2	36	179.9	-81.8	151	0	0	0	114.3
5	N	47	Very low	44.8	Very low	91 Å²	91	132.1 Å²	132.1	49%	0.487	68%	0.684	S	S	.	*	S	Bend	trans	-117	2.9	177.1	-133.2	26.6	0	0	0	114.7	Y81	N5-Y81 PolarHBondContact ND2-OH 3.15Å
6	H	47.8	Very low	45	Very low	153 Å²	153	134 Å²	134	71%	0.708	69%	0.689	S	S	*	*	S	Bend	trans	-98.3	-7.8	-176.3	-159.4	-67	0	0	0	113.9
7	L	41.1	Very low	44.8	Very low	130 Å²	130	134.2 Å²	134.2	68%	0.681	69%	0.686	S	S	*	*	S	Bend	trans	-100.2	-20.1	-173.1	-68.2	174.1	0	0	0	114.8
8	L	46.4	Very low	44.7	Very low	127 Å²	127	130.9 Å²	130.9	67%	0.665	67%	0.669	S	S	*	*	S	Bend	trans	-79.5	-26.3	-179.8	-75.1	168.4	0	0	0	113.2	I12	L8-I12 WeakPolarHBondContact O-CD1 3.44Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å
9	F	48.3	Very low	44.6	Very low	93 Å²	93	132.3 Å²	132.3	41%	0.408	67%	0.673	S	S	.	*	S	Bend	trans	-80.6	-25.6	-178.1	-79.6	-87.8	0	0	0	113.7	E11 I12 Y81 F98	F9-E11 VanDerWaalsContact C-N 3.33Å; F9-E11 PolarHBondContact O-N 2.86Å; F9-I12 PolarHBondContact O-N 2.85Å; F9-Y81 HydrophobicContact CZ-CE1 4.4Å; F9-F98 HydrophobicContact CE1-CE1 4.29Å; F9-F98 HydrophobicContact CE1-CE2 4.04Å; F9-F98 AromaticContact CE1-CZ 3.76Å; F9-F98 HydrophobicContact CE1-CZ 3.76Å; F9-F98 HydrophobicContact CE2-CE2 4.5Å; F9-F98 HydrophobicContact CZ-CD2 4.3Å; F9-F98 AromaticContact CZ-CE2 3.49Å; F9-F98 HydrophobicContact CZ-CE2 3.49Å; F9-F98 VanDerWaalsContact CZ-CE2 3.49Å; F9-F98 AromaticContact CZ-CZ 3.64Å; F9-F98 HydrophobicContact CZ-CZ 3.64Å
10	N	43.4	Very low	44.3	Very low	123 Å²	123	131.3 Å²	131.3	66%	0.658	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-16.4	-175.4	-128.7	0	0	0	0	113.7
11	E	45.4	Very low	44.1	Very low	182 Å²	182	131.3 Å²	131.3	85%	0.85	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-9.4	172.8	-74.8	-150.4	97.6	0	0	113.8	F9 S13	F9-E11 VanDerWaalsContact C-N 3.33Å; F9-E11 PolarHBondContact O-N 2.86Å; E11-S13 PolarHBondContact O-N 2.82Å
12	I	48.1	Very low	44.5	Very low	80 Å²	80	123.1 Å²	123.1	41%	0.41	66%	0.655	S	S	.	*			trans	-86.4	54	172.4	-47	167.6	0	0	0	108.3	L8 F9 F14	L8-I12 WeakPolarHBondContact O-CD1 3.44Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; F9-I12 PolarHBondContact O-N 2.85Å; I12-F14 HydrophobicContact CG2-CB 3.65Å; I12-F14 PolarHBondContact O-N 2.64Å
13	S	43	Very low	44.7	Very low	93 Å²	93	123.9 Å²	123.9	65%	0.65	65%	0.653	S	S	*	*			trans	-72.5	58.2	162	-71.3	0	0	0	0	109.2	E11 V15	E11-S13 PolarHBondContact O-N 2.82Å; S13-V15 PolarHBondContact O-N 2.84Å
14	F	45.8	Very low	44.1	Very low	58 Å²	58	126.2 Å²	126.2	25%	0.254	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-0.3	-174.4	-174.5	-105.7	0	0	0	112.9	I12 H16 I18 F62 N66	I12-F14 HydrophobicContact CG2-CB 3.65Å; I12-F14 PolarHBondContact O-N 2.64Å; F14-H16 VanDerWaalsContact C-N 3.34Å; F14-H16 PolarHBondContact O-N 2.91Å; F14-I18 HydrophobicContact CE1-CD1 4.21Å; F14-F62 HydrophobicContact CD1-CZ 4.47Å; F14-F62 HydrophobicContact CE1-CE1 4.09Å; F14-F62 HydrophobicContact CE1-CE2 4.33Å; F14-F62 AromaticContact CE1-CZ 3.43Å; F14-F62 HydrophobicContact CE1-CZ 3.43Å; F14-F62 VanDerWaalsContact CE1-CZ 3.43Å; F14-F62 HydrophobicContact CZ-CE1 4.2Å; F14-F62 HydrophobicContact CZ-CE2 4.14Å; F14-F62 AromaticContact CZ-CZ 3.54Å; F14-F62 HydrophobicContact CZ-CZ 3.54Å; F14-N66 HydrophobicContact CE2-CB 3.42Å; F14-N66 VanDerWaalsContact CE2-CB 3.42Å; F14-N66 VanDerWaalsContact CE2-ND2 3.34Å; F14-N66 WeakPolarHBondContact CE2-ND2 3.14Å; F14-N66 HydrophobicContact CZ-CB 3.66Å; F14-N66 WeakPolarHBondContact CZ-ND2 3.34Å
15	V	47.1	Very low	43.8	Very low	128 Å²	128	126 Å²	126	78%	0.776	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	11.1	-179	-66.6	0	0	0	0	114.4	S13	S13-V15 PolarHBondContact O-N 2.84Å
16	H	47	Very low	43.2	Very low	162 Å²	162	127.5 Å²	127.5	75%	0.75	67%	0.667	S	S	*	*	S	Bend	trans	-83.3	-29.4	-174.9	-160.4	81.4	0	0	0	115.4	F14	F14-H16 VanDerWaalsContact C-N 3.34Å; F14-H16 PolarHBondContact O-N 2.91Å
17	E	41.2	Very low	43	Very low	138 Å²	138	127 Å²	127	65%	0.645	67%	0.668	S	S	*	*			trans	-163.3	69.6	-174.8	-156.6	143.4	64.8	0	0	113.9	Q19	E17-Q19 HydrophobicContact CG-CB 4.28Å; E17-Q19 PolarHBondContact O-N 3.18Å; E17-Q19 VanDerWaalsContact O-N 3.09Å
18	I	44.1	Very low	43.1	Very low	75 Å²	75	130.4 Å²	130.4	39%	0.385	68%	0.683	S	S	.	*			trans	-79.3	84.8	157.8	-52.7	-178.9	0	0	0	106.7	F14 L20	F14-I18 HydrophobicContact CE1-CD1 4.21Å; I18-L20 VanDerWaalsContact C-N 3.29Å; I18-L20 HydrophobicContact CG2-CD2 3.65Å; I18-L20 HydrophobicContact CG2-CG 3.77Å; I18-L20 PolarHBondContact O-N 3.28Å
19	Q	41.4	Very low	43.2	Very low	157 Å²	157	130.2 Å²	130.2	73%	0.734	68%	0.683	S	S	*	*			trans	-72.4	86	172.6	-166.6	150.5	-103.9	0	0	108.6	E17 P21	E17-Q19 HydrophobicContact CG-CB 4.28Å; E17-Q19 PolarHBondContact O-N 3.18Å; E17-Q19 VanDerWaalsContact O-N 3.09Å; Q19-P21 VanDerWaalsContact O-CD 3.24Å; Q19-P21 WeakPolarHBondContact O-CD 3.46Å
20	L	40.3	Very low	43	Very low	112 Å²	112	132.3 Å²	132.3	59%	0.586	71%	0.707	S	S	*	*			trans	-78	112.5	170.4	-63.5	-179.7	0	0	0	108.7	I18 G22	I18-L20 VanDerWaalsContact C-N 3.29Å; I18-L20 HydrophobicContact CG2-CD2 3.65Å; I18-L20 HydrophobicContact CG2-CG 3.77Å; I18-L20 PolarHBondContact O-N 3.28Å; L20-G22 PolarHBondContact O-N 3.17Å
21	P	40.2	Very low	43.4	Very low	131 Å²	131	131.9 Å²	131.9	85%	0.851	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	114.8	173.5	30	-30.7	0	0	0	108.9	Q19	Q19-P21 VanDerWaalsContact O-CD 3.24Å; Q19-P21 WeakPolarHBondContact O-CD 3.46Å
22	G	47.3	Very low	43.7	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.9	15.3	161.3	0	0	0	0	0	118.6	L20	L20-G22 PolarHBondContact O-N 3.17Å
23	H	42.5	Very low	44	Very low	188 Å²	188	132.2 Å²	132.2	87%	0.87	71%	0.714	S	S	*	*			trans	-126.7	111.4	167.3	-95.8	44.5	0	0	0	111.4
24	Q	32.3	Very low	44.6	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	71%	0.711	S	S	*	*			trans	-82.8	143.6	162.5	-64.1	-163.6	-68.6	0	0	108.8
25	Q	40.1	Very low	45.4	Very low	172 Å²	172	136.3 Å²	136.3	80%	0.804	73%	0.725	S	S	*	*			trans	96.9	104.7	166.9	-54.5	-176.9	16.5	0	0	114.2
26	T	35	Very low	46.6	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	71%	0.71	S	S	*	*				81.3	100.6	97.9	-56	0	0	0	0	107.6
27	I	43.9	Very low	48	Very low	142 Å²	142	130.2 Å²	130.2	73%	0.728	70%	0.7	S	S	*	*				-166.8	108.3	73.7	-72.7	161.9	0	0	0	106.5	N29	I27-N29 HydrophobicContact CG2-CB 3.45Å; I27-N29 VanDerWaalsContact CG2-CB 3.45Å; I27-N29 PolarHBondContact O-N 2.93Å
28	M	43.1	Very low	49.7	Very low	203 Å²	203	127.2 Å²	127.2	100%	1	69%	0.685	S	S	*	*			trans	-83.8	75.2	161	-77.5	-170.6	-81.3	0	0	108
29	N	48.4	Very low	51.3	Low	123 Å²	123	124.8 Å²	124.8	66%	0.658	67%	0.671	S	S	*	*			trans	-98.8	85.2	164.2	-154.4	81.7	0	0	0	106.1	I27 D31	I27-N29 HydrophobicContact CG2-CB 3.45Å; I27-N29 VanDerWaalsContact CG2-CB 3.45Å; I27-N29 PolarHBondContact O-N 2.93Å; N29-D31 PolarHBondContact O-N 3.45Å
30	C	43.3	Very low	53.3	Low	136 Å²	136	118.8 Å²	118.8	92%	0.919	65%	0.646	S	S	*	*			trans	-66.2	85.1	174.9	-171.7	0	0	0	0	108.2
31	D	51	Low	55.2	Low	114 Å²	114	118.8 Å²	118.8	61%	0.61	64%	0.643	S	S	*	*			trans	-139.5	99.9	173.3	-151.2	-28.5	0	0	0	109.9	N29 K33	N29-D31 PolarHBondContact O-N 3.45Å; D31-K33 VanDerWaalsContact C-N 3.35Å; D31-K33 PolarHBondContact O-N 2.86Å
32	S	52	Low	57.1	Low	108 Å²	108	113.3 Å²	113.3	76%	0.755	61%	0.607	S	S	*	*	S	Bend	trans	50.2	9.5	144.1	68.7	0	0	0	0	123.2
33	K	54.3	Low	58.8	Low	162 Å²	162	110.4 Å²	110.4	70%	0.704	58%	0.575	S	S	*	*			trans	-140.4	95.9	164.7	-65.4	-170.6	-179.7	-171.6	0	111.9	D31 N35	D31-K33 VanDerWaalsContact C-N 3.35Å; D31-K33 PolarHBondContact O-N 2.86Å; K33-N35 PolarHBondContact O-N 3.17Å
34	F	57.2	Low	60.8	Low	132 Å²	132	107.1 Å²	107.1	58%	0.579	56%	0.558	S	S	*	*			trans	-64	91.2	161	-77.6	-79.4	0	0	0	107.9	F38	F34-F38 HydrophobicContact CD1-CB 4.13Å; F34-F38 AromaticContact CD1-CD1 3.45Å; F34-F38 HydrophobicContact CD1-CD1 3.45Å; F34-F38 VanDerWaalsContact CD1-CD1 3.45Å; F34-F38 HydrophobicContact CD1-CD2 4.47Å; F34-F38 AromaticContact CD1-CE1 3.93Å; F34-F38 HydrophobicContact CD1-CE1 3.93Å; F34-F38 AromaticContact CD1-CG 3.75Å; F34-F38 HydrophobicContact CD1-CG 3.75Å; F34-F38 AromaticContact CE1-CD1 3.73Å; F34-F38 HydrophobicContact CE1-CD1 3.73Å; F34-F38 HydrophobicContact CE1-CD2 4.4Å; F34-F38 AromaticContact CE1-CE1 3.73Å; F34-F38 HydrophobicContact CE1-CE1 3.73Å; F34-F38 HydrophobicContact CE1-CE2 4.4Å; F34-F38 HydrophobicContact CE1-CG 4.07Å; F34-F38 HydrophobicContact CE1-CZ 4.08Å
35	N	61.6	Low	63.1	Low	104 Å²	104	100.4 Å²	100.4	56%	0.556	53%	0.53	S	S	*	.			trans	-72.5	157.8	175	-67.9	-45.5	0	0	0	109.6	K33 S37 F38	K33-N35 PolarHBondContact O-N 3.17Å; N35-S37 PolarHBondContact O-N 3.29Å; N35-F38 PolarHBondContact O-N 2.81Å
36	D	73.3	Confident	65.1	Low	86 Å²	86	92.4 Å²	92.4	46%	0.46	49%	0.493	S	S	.	.	H	α-helix	trans	-43.4	-28.8	174.8	-62.7	3.8	0	0	0	113.2	S40 F92 K96	D36-S40 WeakPolarHBondContact O-CB 3.07Å; D36-S40 PolarHBondContact O-N 3.44Å; D36-F92 HydrophobicContact CB-CE1 4.41Å; D36-F92 HydrophobicContact CB-CZ 4.18Å; D36-F92 WeakPolarHBondContact O-CZ 3.18Å; D36-K96 WeakPolarHBondContact OD1-CE 3.39Å; D36-K96 IonicContact OD1-NZ 3.92Å; D36-K96 PolarHBondContact OD1-NZ 2.84Å; D36-K96 IonicContact OD2-NZ 2.64Å
37	S	76.4	Confident	67.4	Low	76 Å²	76	86.8 Å²	86.8	53%	0.531	46%	0.458	S	S	.	.	H	α-helix	trans	-56.8	-48.1	175.1	-163.4	0	0	0	0	113.7	N35 S40 E41	N35-S37 PolarHBondContact O-N 3.29Å; S37-S40 WeakPolarHBondContact O-CB 3.41Å; S37-S40 PolarHBondContact O-N 3.21Å; S37-S40 VanDerWaalsContact O-N 3.17Å; S37-E41 WeakPolarHBondContact O-CG 3.46Å; S37-E41 PolarHBondContact O-N 3.23Å
38	F	75.4	Confident	69.1	Low	75 Å²	75	86.1 Å²	86.1	33%	0.329	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-49.2	-176.8	176	-96.7	0	0	0	110.9	F34 N35 S40 E41 V42	F34-F38 HydrophobicContact CD1-CB 4.13Å; F34-F38 AromaticContact CD1-CD1 3.45Å; F34-F38 HydrophobicContact CD1-CD1 3.45Å; F34-F38 VanDerWaalsContact CD1-CD1 3.45Å; F34-F38 HydrophobicContact CD1-CD2 4.47Å; F34-F38 AromaticContact CD1-CE1 3.93Å; F34-F38 HydrophobicContact CD1-CE1 3.93Å; F34-F38 AromaticContact CD1-CG 3.75Å; F34-F38 HydrophobicContact CD1-CG 3.75Å; F34-F38 AromaticContact CE1-CD1 3.73Å; F34-F38 HydrophobicContact CE1-CD1 3.73Å; F34-F38 HydrophobicContact CE1-CD2 4.4Å; F34-F38 AromaticContact CE1-CE1 3.73Å; F34-F38 HydrophobicContact CE1-CE1 3.73Å; F34-F38 HydrophobicContact CE1-CE2 4.4Å; F34-F38 HydrophobicContact CE1-CG 4.07Å; F34-F38 HydrophobicContact CE1-CZ 4.08Å; N35-F38 PolarHBondContact O-N 2.81Å; F38-S40 PolarHBondContact O-N 2.76Å; F38-E41 PolarHBondContact O-N 3.34Å; F38-V42 HydrophobicContact CD1-CG2 4.3Å; F38-V42 HydrophobicContact CE1-CG2 3.86Å; F38-V42 HydrophobicContact CE2-CG2 4.4Å; F38-V42 HydrophobicContact CZ-CG2 3.92Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; F38-V42 PolarHBondContact O-N 3.36Å
39	W	78.6	Confident	71	Confident	24 Å²	24	80.3 Å²	80.3	9%	0.091	42%	0.423	C	S	.	.	H	α-helix	trans	-61.8	-33.8	176	-65.3	124.8	0	0	0	110.9	V42 F43 F92 F95 K96 M99	W39-V42 PolarHBondContact O-N 3.49Å; W39-F43 WeakPolarHBondContact O-CB 3.09Å; W39-F43 PolarHBondContact O-N 2.86Å; W39-F92 HydrophobicContact CB-CE2 3.85Å; W39-F92 HydrophobicContact CB-CZ 4.16Å; W39-F95 HydrophobicContact CE3-CD1 4.31Å; W39-F95 AromaticContact CE3-CE1 3.69Å; W39-F95 HydrophobicContact CE3-CE1 3.69Å; W39-F95 HydrophobicContact CE3-CZ 4.44Å; W39-F95 HydrophobicContact CZ3-CE1 4.32Å; W39-K96 HydrophobicContact CG-CG 4.46Å; W39-M99 HydrophobicContact CD2-CB 4.02Å; W39-M99 HydrophobicContact CD2-CG 4.45Å; W39-M99 HydrophobicContact CE3-CB 3.86Å; W39-M99 HydrophobicContact CE3-CG 3.83Å; W39-M99 HydrophobicContact CH2-CB 3.31Å; W39-M99 HydrophobicContact CH2-CG 3.71Å; W39-M99 HydrophobicContact CH2-SD 4Å; W39-M99 HydrophobicContact CZ2-CB 3.41Å; W39-M99 VanDerWaalsContact CZ2-CB 3.41Å; W39-M99 HydrophobicContact CZ2-CG 4.28Å; W39-M99 HydrophobicContact CZ3-CB 3.52Å; W39-M99 HydrophobicContact CZ3-CE 3.89Å; W39-M99 HydrophobicContact CZ3-CG 3.42Å; W39-M99 VanDerWaalsContact CZ3-CG 3.42Å; W39-M99 HydrophobicContact CZ3-SD 3.86Å
40	S	82.4	Confident	72.5	Confident	31 Å²	31	80.9 Å²	80.9	22%	0.217	42%	0.421	C	S	.	.	H	α-helix	trans	-66.9	-39	177.7	-173	0	0	0	0	111.5	D36 S37 F38 F43 K44	D36-S40 WeakPolarHBondContact O-CB 3.07Å; D36-S40 PolarHBondContact O-N 3.44Å; S37-S40 WeakPolarHBondContact O-CB 3.41Å; S37-S40 PolarHBondContact O-N 3.21Å; S37-S40 VanDerWaalsContact O-N 3.17Å; F38-S40 PolarHBondContact O-N 2.76Å; S40-F43 PolarHBondContact O-N 3.31Å; S40-K44 WeakPolarHBondContact O-CB 3.3Å; S40-K44 WeakPolarHBondContact O-CG 3.4Å; S40-K44 PolarHBondContact O-N 3.02Å; S40-K44 WeakPolarHBondContact OG-CE 3.21Å
41	E	81.3	Confident	74.4	Confident	113 Å²	113	77.2 Å²	77.2	53%	0.528	39%	0.393	S	S	.	.	H	α-helix	trans	-68.1	-43.8	176.5	-71.7	176.2	94	0	0	112.1	S37 F38 F43 K44 T45	S37-E41 WeakPolarHBondContact O-CG 3.46Å; S37-E41 PolarHBondContact O-N 3.23Å; F38-E41 PolarHBondContact O-N 3.34Å; E41-F43 VanDerWaalsContact C-N 3.33Å; E41-K44 PolarHBondContact O-N 3.13Å; E41-T45 PolarHBondContact O-N 3.05Å; E41-T45 PolarHBondContact O-OG1 3.44Å
42	V	81	Confident	76	Confident	15 Å²	15	73.6 Å²	73.6	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-47.1	173.2	177.5	0	0	0	0	109.7	F38 W39 K44 T45 V46 F95	F38-V42 HydrophobicContact CD1-CG2 4.3Å; F38-V42 HydrophobicContact CE1-CG2 3.86Å; F38-V42 HydrophobicContact CE2-CG2 4.4Å; F38-V42 HydrophobicContact CZ-CG2 3.92Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; F38-V42 PolarHBondContact O-N 3.36Å; W39-V42 PolarHBondContact O-N 3.49Å; V42-K44 PolarHBondContact O-N 2.85Å; V42-T45 WeakPolarHBondContact O-CB 3.26Å; V42-T45 PolarHBondContact O-N 3.07Å; V42-V46 WeakPolarHBondContact O-CG2 2.81Å; V42-V46 PolarHBondContact O-N 3.27Å; V42-F95 HydrophobicContact CB-CE1 4.17Å; V42-F95 HydrophobicContact CB-CZ 4.46Å; V42-F95 HydrophobicContact CG1-CE1 3.8Å; V42-F95 HydrophobicContact CG1-CZ 3.59Å
43	F	82.4	Confident	77.8	Confident	9 Å²	9	73.1 Å²	73.1	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-49.4	179.1	-170.8	-86.1	0	0	0	111.6	W39 S40 E41 T45 V46 D47 G52 I54 F92 F95	W39-F43 WeakPolarHBondContact O-CB 3.09Å; W39-F43 PolarHBondContact O-N 2.86Å; S40-F43 PolarHBondContact O-N 3.31Å; E41-F43 VanDerWaalsContact C-N 3.33Å; F43-T45 PolarHBondContact O-N 3.21Å; F43-V46 PolarHBondContact O-N 3.26Å; F43-D47 HydrophobicContact CD1-CB 4Å; F43-D47 HydrophobicContact CE1-CB 3.8Å; F43-D47 WeakPolarHBondContact CE1-OD2 3.5Å; F43-D47 WeakPolarHBondContact O-CB 3.35Å; F43-D47 PolarHBondContact O-N 3.46Å; F43-G52 VanDerWaalsContact CE1-C 3.43Å; F43-G52 WeakPolarHBondContact CE1-O 3.26Å; F43-G52 WeakPolarHBondContact CZ-O 3.23Å; F43-I54 HydrophobicContact CD2-CD1 3.49Å; F43-I54 VanDerWaalsContact CD2-CD1 3.49Å; F43-I54 HydrophobicContact CD2-CG1 4.05Å; F43-I54 HydrophobicContact CE1-CG1 4.44Å; F43-I54 HydrophobicContact CE2-CD1 3.45Å; F43-I54 VanDerWaalsContact CE2-CD1 3.45Å; F43-I54 HydrophobicContact CE2-CG1 3.57Å; F43-I54 HydrophobicContact CG-CD1 4.26Å; F43-I54 HydrophobicContact CZ-CD1 4.16Å; F43-I54 HydrophobicContact CZ-CG1 3.78Å; F43-F92 HydrophobicContact CB-CD2 4.08Å; F43-F92 HydrophobicContact CD2-CB 4.45Å; F43-F92 HydrophobicContact CD2-CD2 4.17Å; F43-F92 HydrophobicContact CE2-CB 4.35Å; F43-F92 HydrophobicContact CG-CD2 4.03Å; F43-F95 HydrophobicContact CD2-CB 4.08Å; F43-F95 HydrophobicContact CD2-CD1 4.19Å; F43-F95 HydrophobicContact CD2-CG 4.16Å; F43-F95 HydrophobicContact CE2-CB 4.38Å
44	K	83.5	Confident	79.3	Confident	119 Å²	119	65.4 Å²	65.4	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-26	175.7	-74.6	169.7	-175.5	173.3	0	113.8	S40 E41 V42	S40-K44 WeakPolarHBondContact O-CB 3.3Å; S40-K44 WeakPolarHBondContact O-CG 3.4Å; S40-K44 PolarHBondContact O-N 3.02Å; S40-K44 WeakPolarHBondContact OG-CE 3.21Å; E41-K44 PolarHBondContact O-N 3.13Å; V42-K44 PolarHBondContact O-N 2.85Å
45	T	81.2	Confident	80.8	Confident	42 Å²	42	60.6 Å²	60.6	26%	0.258	31%	0.31	S	S	.	.	H	α-helix	trans	-73.5	-35.8	176.8	-60	0	0	0	0	111.2	E41 V42 F43 K48	E41-T45 PolarHBondContact O-N 3.05Å; E41-T45 PolarHBondContact O-OG1 3.44Å; V42-T45 WeakPolarHBondContact O-CB 3.26Å; V42-T45 PolarHBondContact O-N 3.07Å; F43-T45 PolarHBondContact O-N 3.21Å; T45-K48 WeakPolarHBondContact O-CE 3.48Å; T45-K48 PolarHBondContact O-NZ 3.07Å
46	V	81.2	Confident	82	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-81	-46.8	178.5	-175.2	0	0	0	0	111.5	V42 F43 K48 I54 F62	V42-V46 WeakPolarHBondContact O-CG2 2.81Å; V42-V46 PolarHBondContact O-N 3.27Å; F43-V46 PolarHBondContact O-N 3.26Å; V46-K48 PolarHBondContact O-N 3.19Å; V46-K48 VanDerWaalsContact O-N 3.09Å; V46-I54 HydrophobicContact CB-CD1 3.8Å; V46-I54 HydrophobicContact CB-CG1 4.17Å; V46-I54 HydrophobicContact CG1-CB 4.43Å; V46-I54 HydrophobicContact CG1-CD1 3.69Å; V46-I54 HydrophobicContact CG1-CG1 3.86Å; V46-I54 HydrophobicContact CG1-CG2 3.67Å; V46-I54 HydrophobicContact CG2-CD1 4.44Å; V46-F62 HydrophobicContact CB-CD2 4.43Å; V46-F62 HydrophobicContact CB-CG 4.42Å; V46-F62 HydrophobicContact CG1-CB 3.88Å; V46-F62 HydrophobicContact CG1-CD1 4.42Å; V46-F62 HydrophobicContact CG1-CG 4.04Å; V46-F62 HydrophobicContact CG2-CB 4.48Å; V46-F62 HydrophobicContact CG2-CD1 3.95Å; V46-F62 HydrophobicContact CG2-CD2 3.66Å; V46-F62 HydrophobicContact CG2-CE1 3.96Å; V46-F62 HydrophobicContact CG2-CE2 3.66Å; V46-F62 HydrophobicContact CG2-CG 3.77Å; V46-F62 HydrophobicContact CG2-CZ 3.79Å
47	D	84.9	Confident	82.6	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.027	32%	0.321	C	S	.	.			trans	-68	97	178.3	178.8	4.2	0	0	0	109.8	F43 N49 H50 D51 G52 I54	F43-D47 HydrophobicContact CD1-CB 4Å; F43-D47 HydrophobicContact CE1-CB 3.8Å; F43-D47 WeakPolarHBondContact CE1-OD2 3.5Å; F43-D47 WeakPolarHBondContact O-CB 3.35Å; F43-D47 PolarHBondContact O-N 3.46Å; D47-N49 PolarHBondContact OD1-N 2.9Å; D47-N49 PolarHBondContact OD1-OD1 3.05Å; D47-H50 PolarHBondContact O-CE1 3.5Å; D47-H50 VanDerWaalsContact O-CE1 3.26Å; D47-H50 PolarHBondContact O-ND1 3.29Å; D47-H50 VanDerWaalsContact O-ND1 3.13Å; D47-H50 WeakPolarHBondContact OD1-CA 3.14Å; D47-H50 PolarHBondContact OD1-N 2.85Å; D47-H50 VanDerWaalsContact OD2-CA 3.26Å; D47-H50 WeakPolarHBondContact OD2-CA 3.44Å; D47-D51 PolarHBondContact OD1-N 2.94Å; D47-D51 PolarHBondContact OD2-N 3.01Å; D47-G52 PolarHBondContact OD2-N 3.41Å; D47-I54 HydrophobicContact CB-CG1 4.41Å
48	K	78.7	Confident	83.1	Confident	129 Å²	129	62.4 Å²	62.4	56%	0.561	30%	0.3	S	S	*	.	S	Bend	trans	-86.3	-27.4	-176.9	-68.4	-53.1	-174.4	-157.7	0	111.9	T45 V46 H50 E58	T45-K48 WeakPolarHBondContact O-CE 3.48Å; T45-K48 PolarHBondContact O-NZ 3.07Å; V46-K48 PolarHBondContact O-N 3.19Å; V46-K48 VanDerWaalsContact O-N 3.09Å; K48-H50 VanDerWaalsContact C-N 3.33Å; K48-E58 PolarHBondContact N-OE1 3.03Å
49	N	82.5	Confident	83.5	Confident	80 Å²	80	59.3 Å²	59.3	43%	0.428	29%	0.286	S	S	.	.	S	Bend	trans	-86.7	-7.7	177.1	66.9	-2.7	0	0	0	112.6	D47 D51 E58	D47-N49 PolarHBondContact OD1-N 2.9Å; D47-N49 PolarHBondContact OD1-OD1 3.05Å; N49-D51 VanDerWaalsContact CG-CG 3.49Å; N49-D51 PolarHBondContact ND2-OD2 3.37Å; N49-D51 PolarHBondContact O-N 3.4Å; N49-D51 PolarHBondContact OD1-N 3.45Å; N49-D51 PolarHBondContact OD1-OD1 2.83Å; N49-D51 VanDerWaalsContact OD1-OD1 3.04Å; N49-E58 VanDerWaalsContact CG-OE1 3.31Å; N49-E58 PolarHBondContact N-OE1 2.9Å; N49-E58 PolarHBondContact OD1-OE1 3.15Å; N49-E58 VanDerWaalsContact OD1-OE1 3.14Å
50	H	79.7	Confident	83.8	Confident	135 Å²	135	62 Å²	62	63%	0.625	30%	0.299	S	S	*	.			trans	53.4	35	-178	-61.5	-47.3	0	0	0	112.4	D47 K48 G52	D47-H50 PolarHBondContact O-CE1 3.5Å; D47-H50 VanDerWaalsContact O-CE1 3.26Å; D47-H50 PolarHBondContact O-ND1 3.29Å; D47-H50 VanDerWaalsContact O-ND1 3.13Å; D47-H50 WeakPolarHBondContact OD1-CA 3.14Å; D47-H50 PolarHBondContact OD1-N 2.85Å; D47-H50 VanDerWaalsContact OD2-CA 3.26Å; D47-H50 WeakPolarHBondContact OD2-CA 3.44Å; K48-H50 VanDerWaalsContact C-N 3.33Å; H50-G52 VanDerWaalsContact C-N 3.31Å
51	D	85.1	Confident	83.9	Confident	60 Å²	60	66.9 Å²	66.9	32%	0.321	32%	0.316	S	S	.	.	S	Bend	trans	-87.2	-3	179.7	78.4	-9.2	0	0	0	112.8	D47 N49 R53	D47-D51 PolarHBondContact OD1-N 2.94Å; D47-D51 PolarHBondContact OD2-N 3.01Å; N49-D51 VanDerWaalsContact CG-CG 3.49Å; N49-D51 PolarHBondContact ND2-OD2 3.37Å; N49-D51 PolarHBondContact O-N 3.4Å; N49-D51 PolarHBondContact OD1-N 3.45Å; N49-D51 PolarHBondContact OD1-OD1 2.83Å; N49-D51 VanDerWaalsContact OD1-OD1 3.04Å; D51-R53 WeakPolarHBondContact OD1-CG 3.33Å; D51-R53 PolarHBondContact OD1-N 3.19Å; D51-R53 VanDerWaalsContact OD2-CG 3.28Å; D51-R53 WeakPolarHBondContact OD2-CG 3.44Å; D51-R53 IonicContact OD2-CZ 3.71Å; D51-R53 IonicContact OD2-NE 2.89Å; D51-R53 PolarHBondContact OD2-NE 3.09Å; D51-R53 IonicContact OD2-NH2 3.64Å
52	G	84.2	Confident	83.8	Confident	37 Å²	37	62.9 Å²	62.9	38%	0.381	30%	0.297	S	S	.	.	S	Bend	trans	84.4	6.4	179.7	0	0	0	0	0	114.3	F43 D47 H50	F43-G52 VanDerWaalsContact CE1-C 3.43Å; F43-G52 WeakPolarHBondContact CE1-O 3.26Å; F43-G52 WeakPolarHBondContact CZ-O 3.23Å; D47-G52 PolarHBondContact OD2-N 3.41Å; H50-G52 VanDerWaalsContact C-N 3.31Å
53	R	88.4	Confident	83.7	Confident	99 Å²	99	63.5 Å²	63.5	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	130.2	-179.3	58.9	178	-175.6	-170.3	-1.9	111.6	D51 N55 Y89 I90 D91	D51-R53 WeakPolarHBondContact OD1-CG 3.33Å; D51-R53 PolarHBondContact OD1-N 3.19Å; D51-R53 VanDerWaalsContact OD2-CG 3.28Å; D51-R53 WeakPolarHBondContact OD2-CG 3.44Å; D51-R53 IonicContact OD2-CZ 3.71Å; D51-R53 IonicContact OD2-NE 2.89Å; D51-R53 PolarHBondContact OD2-NE 3.09Å; D51-R53 IonicContact OD2-NH2 3.64Å; R53-N55 PolarHBondContact O-N 3.4Å; R53-Y89 HydrophobicContact CG-CD1 4.08Å; R53-Y89 HydrophobicContact CG-CG 4.42Å; R53-I90 CarbonylContact C-O 3.59Å; R53-I90 WeakPolarHBondContact CA-O 3.33Å; R53-D91 WeakPolarHBondContact CB-OD1 3.11Å
54	I	86.7	Confident	83.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	113.8	-179.6	-63.6	161.2	0	0	0	109	F43 V46 D47 E58 F59 F79 I90 F95	F43-I54 HydrophobicContact CD2-CD1 3.49Å; F43-I54 VanDerWaalsContact CD2-CD1 3.49Å; F43-I54 HydrophobicContact CD2-CG1 4.05Å; F43-I54 HydrophobicContact CE1-CG1 4.44Å; F43-I54 HydrophobicContact CE2-CD1 3.45Å; F43-I54 VanDerWaalsContact CE2-CD1 3.45Å; F43-I54 HydrophobicContact CE2-CG1 3.57Å; F43-I54 HydrophobicContact CG-CD1 4.26Å; F43-I54 HydrophobicContact CZ-CD1 4.16Å; F43-I54 HydrophobicContact CZ-CG1 3.78Å; V46-I54 HydrophobicContact CB-CD1 3.8Å; V46-I54 HydrophobicContact CB-CG1 4.17Å; V46-I54 HydrophobicContact CG1-CB 4.43Å; V46-I54 HydrophobicContact CG1-CD1 3.69Å; V46-I54 HydrophobicContact CG1-CG1 3.86Å; V46-I54 HydrophobicContact CG1-CG2 3.67Å; V46-I54 HydrophobicContact CG2-CD1 4.44Å; D47-I54 HydrophobicContact CB-CG1 4.41Å; I54-E58 HydrophobicContact CG2-CB 4.14Å; I54-F59 HydrophobicContact CG2-CB 3.77Å; I54-F59 HydrophobicContact CG2-CD2 4.21Å; I54-F59 HydrophobicContact CG2-CG 4.49Å; I54-F79 WeakPolarHBondContact O-CE2 3.31Å; I54-I90 HydrophobicContact CB-CB 4.29Å; I54-I90 PolarHBondContact N-O 2.86Å; I54-I90 PolarHBondContact O-N 3.46Å; I54-F95 HydrophobicContact CD1-CD2 4.34Å
55	N	88.3	Confident	83.2	Confident	30 Å²	30	66.9 Å²	66.9	16%	0.16	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	164	174.4	70.2	58.1	0	0	0	112.1	R53 K57 E58 F59 Y89	R53-N55 PolarHBondContact O-N 3.4Å; N55-K57 PolarHBondContact O-N 2.73Å; N55-K57 VanDerWaalsContact O-N 3.09Å; N55-K57 WeakPolarHBondContact OD1-CA 3.24Å; N55-K57 VanDerWaalsContact OD1-CB 3.29Å; N55-K57 WeakPolarHBondContact OD1-CB 3.21Å; N55-K57 PolarHBondContact OD1-N 2.96Å; N55-E58 PolarHBondContact N-OE2 3.09Å; N55-E58 VanDerWaalsContact N-OE2 3.1Å; N55-E58 VanDerWaalsContact ND2-CD 3.3Å; N55-E58 PolarHBondContact ND2-OE2 3.45Å; N55-E58 PolarHBondContact O-N 2.91Å; N55-E58 VanDerWaalsContact O-N 3.12Å; N55-E58 PolarHBondContact OD1-N 3.14Å; N55-F59 PolarHBondContact O-N 3.04Å; N55-Y89 HydrophobicContact CB-CD1 3.63Å; N55-Y89 HydrophobicContact CB-CE1 3.67Å
56	K	86.5	Confident	82.5	Confident	110 Å²	110	68 Å²	68	48%	0.478	33%	0.331	S	S	.	.	H	α-helix	trans	-53.5	-33.1	179	-68.2	179.8	-176.6	176.3	0	113.9	K60 F79	K56-K60 WeakPolarHBondContact O-CB 3.05Å; K56-K60 PolarHBondContact O-N 3.1Å; K56-F79 HydrophobicContact CB-CD2 4.43Å; K56-F79 HydrophobicContact CB-CE2 4.28Å; K56-F79 HydrophobicContact CB-CZ 4.45Å; K56-F79 HydrophobicContact CD-CD1 4.18Å; K56-F79 HydrophobicContact CD-CE1 4.13Å; K56-F79 VanDerWaalsContact CE-CE1 3.42Å; K56-F79 HydrophobicContact CG-CD1 3.64Å; K56-F79 HydrophobicContact CG-CD2 3.86Å; K56-F79 HydrophobicContact CG-CE1 3.47Å; K56-F79 VanDerWaalsContact CG-CE1 3.47Å; K56-F79 HydrophobicContact CG-CE2 3.68Å; K56-F79 HydrophobicContact CG-CG 3.84Å; K56-F79 HydrophobicContact CG-CZ 3.48Å; K56-F79 VanDerWaalsContact CG-CZ 3.48Å
57	K	87.2	Confident	81.6	Confident	178 Å²	178	69.1 Å²	69.1	77%	0.774	34%	0.343	S	S	*	.	H	α-helix	trans	-75.2	-40.2	-179.1	-63.9	178.8	179.1	174.3	0	111.4	N55 K60 K61	N55-K57 PolarHBondContact O-N 2.73Å; N55-K57 VanDerWaalsContact O-N 3.09Å; N55-K57 WeakPolarHBondContact OD1-CA 3.24Å; N55-K57 VanDerWaalsContact OD1-CB 3.29Å; N55-K57 WeakPolarHBondContact OD1-CB 3.21Å; N55-K57 PolarHBondContact OD1-N 2.96Å; K57-K60 PolarHBondContact O-N 2.89Å; K57-K61 WeakPolarHBondContact O-CB 3.35Å; K57-K61 PolarHBondContact O-N 3.04Å
58	E	86.7	Confident	80.3	Confident	17 Å²	17	72.2 Å²	72.2	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-66.9	-47.6	176	-72.2	172.7	136.7	0	0	111.1	K48 N49 I54 N55 K60 K61 F62	K48-E58 PolarHBondContact N-OE1 3.03Å; N49-E58 VanDerWaalsContact CG-OE1 3.31Å; N49-E58 PolarHBondContact N-OE1 2.9Å; N49-E58 PolarHBondContact OD1-OE1 3.15Å; N49-E58 VanDerWaalsContact OD1-OE1 3.14Å; I54-E58 HydrophobicContact CG2-CB 4.14Å; N55-E58 PolarHBondContact N-OE2 3.09Å; N55-E58 VanDerWaalsContact N-OE2 3.1Å; N55-E58 VanDerWaalsContact ND2-CD 3.3Å; N55-E58 PolarHBondContact ND2-OE2 3.45Å; N55-E58 PolarHBondContact O-N 2.91Å; N55-E58 VanDerWaalsContact O-N 3.12Å; N55-E58 PolarHBondContact OD1-N 3.14Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 3.32Å; E58-K61 PolarHBondContact O-N 2.66Å; E58-K61 VanDerWaalsContact O-N 3.1Å; E58-F62 WeakPolarHBondContact O-CB 3.49Å; E58-F62 PolarHBondContact O-N 3.02Å
59	F	84	Confident	79.7	Confident	9 Å²	9	75.5 Å²	75.5	4%	0.039	39%	0.39	C	S	.	.	H	α-helix	trans	-57.5	-44.7	173.9	-166.7	-107.3	0	0	0	111.6	I54 N55 K61 F62 M63 I75 I78 F79 I90	I54-F59 HydrophobicContact CG2-CB 3.77Å; I54-F59 HydrophobicContact CG2-CD2 4.21Å; I54-F59 HydrophobicContact CG2-CG 4.49Å; N55-F59 PolarHBondContact O-N 3.04Å; F59-K61 PolarHBondContact O-N 2.99Å; F59-F62 PolarHBondContact O-N 3.33Å; F59-M63 HydrophobicContact CD1-CG 4.21Å; F59-M63 HydrophobicContact CE1-CE 3.75Å; F59-M63 HydrophobicContact CE1-CG 3.94Å; F59-M63 HydrophobicContact CE2-CE 3.81Å; F59-M63 HydrophobicContact CZ-CE 3.19Å; F59-M63 HydrophobicContact CZ-CG 4.21Å; F59-M63 WeakPolarHBondContact O-CB 3.21Å; F59-M63 WeakPolarHBondContact O-CG 3.28Å; F59-M63 PolarHBondContact O-N 2.79Å; F59-I75 HydrophobicContact CD1-CG2 3.7Å; F59-I75 HydrophobicContact CE1-CG2 4.18Å; F59-I78 HydrophobicContact CE1-CB 4.13Å; F59-I78 HydrophobicContact CE1-CG2 3.85Å; F59-I78 HydrophobicContact CZ-CB 4.39Å; F59-I78 HydrophobicContact CZ-CG2 3.61Å; F59-F79 HydrophobicContact CB-CD2 3.87Å; F59-F79 HydrophobicContact CB-CE2 4.23Å; F59-F79 HydrophobicContact CD1-CB 4.17Å; F59-F79 AromaticContact CD1-CD2 3.94Å; F59-F79 HydrophobicContact CD1-CD2 3.94Å; F59-F79 HydrophobicContact CE1-CB 4.38Å; F59-F79 AromaticContact CG-CD2 3.95Å; F59-F79 HydrophobicContact CG-CD2 3.95Å; F59-I90 HydrophobicContact CD2-CD1 4.2Å; F59-I90 HydrophobicContact CE2-CD1 4.37Å
60	K	83.9	Confident	79.2	Confident	82 Å²	82	75.5 Å²	75.5	36%	0.357	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-45.7	174.5	179	172.2	-179.1	175.1	0	111.8	K56 K57 E58 F62 M63 L64 S72 I75	K56-K60 WeakPolarHBondContact O-CB 3.05Å; K56-K60 PolarHBondContact O-N 3.1Å; K57-K60 PolarHBondContact O-N 2.89Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 3.32Å; K60-F62 VanDerWaalsContact C-N 3.35Å; K60-M63 PolarHBondContact O-N 2.81Å; K60-L64 HydrophobicContact CG-CD1 3.81Å; K60-L64 HydrophobicContact CG-CG 4.31Å; K60-L64 WeakPolarHBondContact O-CB 3.49Å; K60-L64 WeakPolarHBondContact O-CG 3.2Å; K60-L64 PolarHBondContact O-N 2.88Å; K60-S72 WeakPolarHBondContact CE-OG 3.37Å; K60-S72 PolarHBondContact NZ-OG 2.89Å; K60-I75 HydrophobicContact CB-CD1 4.34Å; K60-I75 HydrophobicContact CB-CG2 4Å; K60-I75 HydrophobicContact CG-CD1 3.85Å
61	K	83.9	Confident	79.3	Confident	132 Å²	132	72.6 Å²	72.6	57%	0.574	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-41.9	180	-172.8	175.4	-177.7	178.5	0	111.3	K57 E58 F59 L64 T65	K57-K61 WeakPolarHBondContact O-CB 3.35Å; K57-K61 PolarHBondContact O-N 3.04Å; E58-K61 PolarHBondContact O-N 2.66Å; E58-K61 VanDerWaalsContact O-N 3.1Å; F59-K61 PolarHBondContact O-N 2.99Å; K61-L64 PolarHBondContact O-N 3.15Å; K61-T65 WeakPolarHBondContact O-CB 3.49Å; K61-T65 PolarHBondContact O-N 2.88Å; K61-T65 PolarHBondContact O-OG1 2.86Å
62	F	80.1	Confident	79.2	Confident	29 Å²	29	72.3 Å²	72.3	13%	0.127	38%	0.382	C	S	.	.	H	α-helix	trans	-60.9	-54.5	174.8	177.8	-107.4	0	0	0	110.9	F14 V46 E58 F59 K60 L64 T65 N66	F14-F62 HydrophobicContact CD1-CZ 4.47Å; F14-F62 HydrophobicContact CE1-CE1 4.09Å; F14-F62 HydrophobicContact CE1-CE2 4.33Å; F14-F62 AromaticContact CE1-CZ 3.43Å; F14-F62 HydrophobicContact CE1-CZ 3.43Å; F14-F62 VanDerWaalsContact CE1-CZ 3.43Å; F14-F62 HydrophobicContact CZ-CE1 4.2Å; F14-F62 HydrophobicContact CZ-CE2 4.14Å; F14-F62 AromaticContact CZ-CZ 3.54Å; F14-F62 HydrophobicContact CZ-CZ 3.54Å; V46-F62 HydrophobicContact CB-CD2 4.43Å; V46-F62 HydrophobicContact CB-CG 4.42Å; V46-F62 HydrophobicContact CG1-CB 3.88Å; V46-F62 HydrophobicContact CG1-CD1 4.42Å; V46-F62 HydrophobicContact CG1-CG 4.04Å; V46-F62 HydrophobicContact CG2-CB 4.48Å; V46-F62 HydrophobicContact CG2-CD1 3.95Å; V46-F62 HydrophobicContact CG2-CD2 3.66Å; V46-F62 HydrophobicContact CG2-CE1 3.96Å; V46-F62 HydrophobicContact CG2-CE2 3.66Å; V46-F62 HydrophobicContact CG2-CG 3.77Å; V46-F62 HydrophobicContact CG2-CZ 3.79Å; E58-F62 WeakPolarHBondContact O-CB 3.49Å; E58-F62 PolarHBondContact O-N 3.02Å; F59-F62 PolarHBondContact O-N 3.33Å; K60-F62 VanDerWaalsContact C-N 3.35Å; F62-L64 VanDerWaalsContact C-N 3.29Å; F62-L64 PolarHBondContact O-N 2.84Å; F62-T65 PolarHBondContact O-N 3.18Å; F62-N66 VanDerWaalsContact O-CB 3.28Å; F62-N66 WeakPolarHBondContact O-CB 3.48Å; F62-N66 PolarHBondContact O-N 3.01Å; F62-N66 PolarHBondContact O-OD1 3.44Å
63	M	79	Confident	79.2	Confident	28 Å²	28	73.5 Å²	73.5	14%	0.138	38%	0.384	C	S	.	.	H	α-helix	trans	-56.8	-40.4	177.4	-73.8	-65.7	-177.8	0	0	113	F59 K60 T65 N66 G67 F70 I75 I78	F59-M63 HydrophobicContact CD1-CG 4.21Å; F59-M63 HydrophobicContact CE1-CE 3.75Å; F59-M63 HydrophobicContact CE1-CG 3.94Å; F59-M63 HydrophobicContact CE2-CE 3.81Å; F59-M63 HydrophobicContact CZ-CE 3.19Å; F59-M63 HydrophobicContact CZ-CG 4.21Å; F59-M63 WeakPolarHBondContact O-CB 3.21Å; F59-M63 WeakPolarHBondContact O-CG 3.28Å; F59-M63 PolarHBondContact O-N 2.79Å; K60-M63 PolarHBondContact O-N 2.81Å; M63-T65 VanDerWaalsContact C-N 3.34Å; M63-T65 PolarHBondContact O-N 2.91Å; M63-N66 PolarHBondContact O-N 3.31Å; M63-G67 CarbonylContact O-C 3.34Å; M63-G67 PolarHBondContact O-N 2.83Å; M63-G67 VanDerWaalsContact O-O 3.13Å; M63-F70 HydrophobicContact CB-CD2 4.34Å; M63-F70 HydrophobicContact SD-CD2 3.95Å; M63-F70 HydrophobicContact SD-CE2 3.99Å; M63-I75 HydrophobicContact CB-CD1 4.03Å; M63-I75 HydrophobicContact CB-CG1 4.11Å; M63-I75 HydrophobicContact CG-CG1 4.44Å; M63-I78 HydrophobicContact CE-CG2 4.4Å
64	L	79.5	Confident	79	Confident	91 Å²	91	71.5 Å²	71.5	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-33.7	176	-72.4	172.2	0	0	0	113	K60 K61 F62	K60-L64 HydrophobicContact CG-CD1 3.81Å; K60-L64 HydrophobicContact CG-CG 4.31Å; K60-L64 WeakPolarHBondContact O-CB 3.49Å; K60-L64 WeakPolarHBondContact O-CG 3.2Å; K60-L64 PolarHBondContact O-N 2.88Å; K61-L64 PolarHBondContact O-N 3.15Å; F62-L64 VanDerWaalsContact C-N 3.29Å; F62-L64 PolarHBondContact O-N 2.84Å
65	T	75.1	Confident	78.8	Confident	108 Å²	108	71.9 Å²	71.9	66%	0.663	38%	0.382	S	S	*	.	H	α-helix	trans	-77.7	-32.8	179.2	-54.3	0	0	0	0	111.4	K61 F62 M63	K61-T65 WeakPolarHBondContact O-CB 3.49Å; K61-T65 PolarHBondContact O-N 2.88Å; K61-T65 PolarHBondContact O-OG1 2.86Å; F62-T65 PolarHBondContact O-N 3.18Å; M63-T65 VanDerWaalsContact C-N 3.34Å; M63-T65 PolarHBondContact O-N 2.91Å
66	N	67.7	Low	78.7	Confident	66 Å²	66	76 Å²	76	35%	0.353	40%	0.401	S	S	.	.	H	α-helix	trans	-107.2	-9.2	-167.3	-83.7	91.7	0	0	0	115.1	F14 F62 M63	F14-N66 HydrophobicContact CE2-CB 3.42Å; F14-N66 VanDerWaalsContact CE2-CB 3.42Å; F14-N66 VanDerWaalsContact CE2-ND2 3.34Å; F14-N66 WeakPolarHBondContact CE2-ND2 3.14Å; F14-N66 HydrophobicContact CZ-CB 3.66Å; F14-N66 WeakPolarHBondContact CZ-ND2 3.34Å; F62-N66 VanDerWaalsContact O-CB 3.28Å; F62-N66 WeakPolarHBondContact O-CB 3.48Å; F62-N66 PolarHBondContact O-N 3.01Å; F62-N66 PolarHBondContact O-OD1 3.44Å; M63-N66 PolarHBondContact O-N 3.31Å
67	G	61	Low	78.6	Confident	26 Å²	26	77.2 Å²	77.2	27%	0.268	41%	0.406	S	S	.	.			trans	-168.5	80.7	178.2	0	0	0	0	0	110.4	M63 K69 F70	M63-G67 CarbonylContact O-C 3.34Å; M63-G67 PolarHBondContact O-N 2.83Å; M63-G67 VanDerWaalsContact O-O 3.13Å; G67-K69 PolarHBondContact O-N 2.82Å; G67-F70 VanDerWaalsContact O-CD2 3.22Å; G67-F70 WeakPolarHBondContact O-CD2 3.42Å; G67-F70 PolarHBondContact O-N 2.91Å
68	G	58.2	Low	78.3	Confident	70 Å²	70	70.5 Å²	70.5	72%	0.722	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	29.6	-169.5	0	0	0	0	0	117.9
69	K	66.3	Low	78.2	Confident	198 Å²	198	69.8 Å²	69.8	86%	0.861	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	-5.7	178.7	-66.3	-175.2	179.2	176.3	0	114.7	G67 T71	G67-K69 PolarHBondContact O-N 2.82Å; K69-T71 PolarHBondContact O-N 3Å
70	F	72.6	Confident	78.3	Confident	81 Å²	81	72.5 Å²	72.5	36%	0.355	40%	0.399	S	S	.	.			trans	-76.2	123.1	177.4	-60.9	-70.3	0	0	0	111.2	M63 G67 D74 I75 I78	M63-F70 HydrophobicContact CB-CD2 4.34Å; M63-F70 HydrophobicContact SD-CD2 3.95Å; M63-F70 HydrophobicContact SD-CE2 3.99Å; G67-F70 VanDerWaalsContact O-CD2 3.22Å; G67-F70 WeakPolarHBondContact O-CD2 3.42Å; G67-F70 PolarHBondContact O-N 2.91Å; F70-D74 HydrophobicContact CB-CB 4.45Å; F70-D74 HydrophobicContact CD1-CB 4.32Å; F70-I75 HydrophobicContact CB-CD1 4.14Å; F70-I75 HydrophobicContact CB-CG1 3.7Å; F70-I78 HydrophobicContact CD1-CD1 4.21Å; F70-I78 HydrophobicContact CE1-CD1 4.27Å
71	T	81.1	Confident	78.3	Confident	73 Å²	73	74 Å²	74	45%	0.448	40%	0.403	S	S	.	.			trans	-73	162.1	173.7	71.3	0	0	0	0	110.1	K69 S73 D74 I75	K69-T71 PolarHBondContact O-N 3Å; T71-S73 PolarHBondContact O-N 3.41Å; T71-S73 PolarHBondContact OG1-N 3.12Å; T71-D74 WeakPolarHBondContact CB-OD2 3.29Å; T71-D74 PolarHBondContact N-OD2 3.35Å; T71-D74 PolarHBondContact O-N 2.86Å; T71-D74 VanDerWaalsContact OG1-CG 3.25Å; T71-D74 PolarHBondContact OG1-N 2.9Å; T71-D74 PolarHBondContact OG1-OD2 2.88Å; T71-I75 WeakPolarHBondContact O-CG1 3.31Å; T71-I75 PolarHBondContact O-N 3.33Å
72	S	82.7	Confident	78.3	Confident	55 Å²	55	67.9 Å²	67.9	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-57.4	-25.2	173.5	-63.3	0	0	0	0	112.4	K60 Q76	K60-S72 WeakPolarHBondContact CE-OG 3.37Å; K60-S72 PolarHBondContact NZ-OG 2.89Å; S72-Q76 WeakPolarHBondContact O-CB 3.39Å; S72-Q76 VanDerWaalsContact O-CG 3.24Å; S72-Q76 WeakPolarHBondContact O-CG 3.41Å; S72-Q76 PolarHBondContact O-N 2.9Å; S72-Q76 PolarHBondContact O-NE2 2.7Å
73	S	84.6	Confident	78.6	Confident	62 Å²	62	67 Å²	67	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-72.8	-45	175.3	-167.3	0	0	0	0	111.5	T71 Q76 K77	T71-S73 PolarHBondContact O-N 3.41Å; T71-S73 PolarHBondContact OG1-N 3.12Å; S73-Q76 WeakPolarHBondContact O-CB 3.14Å; S73-Q76 PolarHBondContact O-N 3.35Å; S73-K77 WeakPolarHBondContact O-CG 3.39Å; S73-K77 PolarHBondContact O-N 3.38Å
74	D	84.5	Confident	78.8	Confident	57 Å²	57	70.8 Å²	70.8	31%	0.305	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-43.7	179	-55.1	-48.1	0	0	0	111.2	F70 T71 Q76 K77 I78	F70-D74 HydrophobicContact CB-CB 4.45Å; F70-D74 HydrophobicContact CD1-CB 4.32Å; T71-D74 WeakPolarHBondContact CB-OD2 3.29Å; T71-D74 PolarHBondContact N-OD2 3.35Å; T71-D74 PolarHBondContact O-N 2.86Å; T71-D74 VanDerWaalsContact OG1-CG 3.25Å; T71-D74 PolarHBondContact OG1-N 2.9Å; T71-D74 PolarHBondContact OG1-OD2 2.88Å; D74-Q76 VanDerWaalsContact C-N 3.27Å; D74-Q76 PolarHBondContact O-N 3.49Å; D74-K77 PolarHBondContact O-N 3.09Å; D74-K77 VanDerWaalsContact O-N 3.11Å; D74-I78 VanDerWaalsContact O-CG1 3.31Å; D74-I78 WeakPolarHBondContact O-CG1 3.2Å; D74-I78 PolarHBondContact O-N 2.95Å
75	I	82.8	Confident	79.1	Confident	7 Å²	7	72.6 Å²	72.6	4%	0.036	41%	0.409	C	S	.	.	H	α-helix	trans	-59.1	-41.8	176	-63	171.4	0	0	0	110.5	F59 K60 M63 F70 T71 I78 F79	F59-I75 HydrophobicContact CD1-CG2 3.7Å; F59-I75 HydrophobicContact CE1-CG2 4.18Å; K60-I75 HydrophobicContact CB-CD1 4.34Å; K60-I75 HydrophobicContact CB-CG2 4Å; K60-I75 HydrophobicContact CG-CD1 3.85Å; M63-I75 HydrophobicContact CB-CD1 4.03Å; M63-I75 HydrophobicContact CB-CG1 4.11Å; M63-I75 HydrophobicContact CG-CG1 4.44Å; F70-I75 HydrophobicContact CB-CD1 4.14Å; F70-I75 HydrophobicContact CB-CG1 3.7Å; T71-I75 WeakPolarHBondContact O-CG1 3.31Å; T71-I75 PolarHBondContact O-N 3.33Å; I75-I78 PolarHBondContact O-N 2.82Å; I75-F79 WeakPolarHBondContact O-CB 3.35Å; I75-F79 PolarHBondContact O-N 2.83Å
76	Q	85	Confident	79.5	Confident	116 Å²	116	76 Å²	76	54%	0.542	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-38.4	176.5	-80	173.8	95.4	0	0	112.6	S72 S73 D74 A80	S72-Q76 WeakPolarHBondContact O-CB 3.39Å; S72-Q76 VanDerWaalsContact O-CG 3.24Å; S72-Q76 WeakPolarHBondContact O-CG 3.41Å; S72-Q76 PolarHBondContact O-N 2.9Å; S72-Q76 PolarHBondContact O-NE2 2.7Å; S73-Q76 WeakPolarHBondContact O-CB 3.14Å; S73-Q76 PolarHBondContact O-N 3.35Å; D74-Q76 VanDerWaalsContact C-N 3.27Å; D74-Q76 PolarHBondContact O-N 3.49Å; Q76-A80 WeakPolarHBondContact O-CB 3.42Å; Q76-A80 PolarHBondContact O-N 3.37Å
77	K	84.4	Confident	80.4	Confident	136 Å²	136	75.1 Å²	75.1	59%	0.591	41%	0.413	S	S	*	.	H	α-helix	trans	-66.2	-45.8	176.5	-70.6	174.2	-175.2	173.7	0	111.6	S73 D74 A80 Y81	S73-K77 WeakPolarHBondContact O-CG 3.39Å; S73-K77 PolarHBondContact O-N 3.38Å; D74-K77 PolarHBondContact O-N 3.09Å; D74-K77 VanDerWaalsContact O-N 3.11Å; K77-A80 PolarHBondContact O-N 2.98Å; K77-Y81 WeakPolarHBondContact O-CB 3.13Å; K77-Y81 PolarHBondContact O-N 2.89Å
78	I	81.4	Confident	81.7	Confident	37 Å²	37	74.8 Å²	74.8	19%	0.19	41%	0.41	C	S	.	.	H	α-helix	trans	-63.4	-46.5	177	-61.4	164.3	0	0	0	109.4	F59 M63 F70 D74 I75 A80 Y81 C82	F59-I78 HydrophobicContact CE1-CB 4.13Å; F59-I78 HydrophobicContact CE1-CG2 3.85Å; F59-I78 HydrophobicContact CZ-CB 4.39Å; F59-I78 HydrophobicContact CZ-CG2 3.61Å; M63-I78 HydrophobicContact CE-CG2 4.4Å; F70-I78 HydrophobicContact CD1-CD1 4.21Å; F70-I78 HydrophobicContact CE1-CD1 4.27Å; D74-I78 VanDerWaalsContact O-CG1 3.31Å; D74-I78 WeakPolarHBondContact O-CG1 3.2Å; D74-I78 PolarHBondContact O-N 2.95Å; I75-I78 PolarHBondContact O-N 2.82Å; I78-A80 PolarHBondContact O-N 3.48Å; I78-Y81 WeakPolarHBondContact O-CB 3.27Å; I78-Y81 PolarHBondContact O-N 3.1Å; I78-Y81 VanDerWaalsContact O-N 3.07Å; I78-C82 PolarHBondContact O-N 3.29Å; I78-C82 PolarHBondContact O-SG 2.88Å
79	F	85.1	Confident	83.1	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.009	39%	0.392	C	S	.	.	H	α-helix	trans	-57.9	-47.9	177.1	-171.6	-80	0	0	0	111.8	I54 K56 F59 I75 Y81 C82 D83 G88 I90	I54-F79 WeakPolarHBondContact O-CE2 3.31Å; K56-F79 HydrophobicContact CB-CD2 4.43Å; K56-F79 HydrophobicContact CB-CE2 4.28Å; K56-F79 HydrophobicContact CB-CZ 4.45Å; K56-F79 HydrophobicContact CD-CD1 4.18Å; K56-F79 HydrophobicContact CD-CE1 4.13Å; K56-F79 VanDerWaalsContact CE-CE1 3.42Å; K56-F79 HydrophobicContact CG-CD1 3.64Å; K56-F79 HydrophobicContact CG-CD2 3.86Å; K56-F79 HydrophobicContact CG-CE1 3.47Å; K56-F79 VanDerWaalsContact CG-CE1 3.47Å; K56-F79 HydrophobicContact CG-CE2 3.68Å; K56-F79 HydrophobicContact CG-CG 3.84Å; K56-F79 HydrophobicContact CG-CZ 3.48Å; K56-F79 VanDerWaalsContact CG-CZ 3.48Å; F59-F79 HydrophobicContact CB-CD2 3.87Å; F59-F79 HydrophobicContact CB-CE2 4.23Å; F59-F79 HydrophobicContact CD1-CB 4.17Å; F59-F79 AromaticContact CD1-CD2 3.94Å; F59-F79 HydrophobicContact CD1-CD2 3.94Å; F59-F79 HydrophobicContact CE1-CB 4.38Å; F59-F79 AromaticContact CG-CD2 3.95Å; F59-F79 HydrophobicContact CG-CD2 3.95Å; I75-F79 WeakPolarHBondContact O-CB 3.35Å; I75-F79 PolarHBondContact O-N 2.83Å; F79-Y81 PolarHBondContact O-N 2.99Å; F79-C82 PolarHBondContact O-N 3.47Å; F79-C82 VanDerWaalsContact O-N 3.15Å; F79-D83 HydrophobicContact CD1-CB 4.11Å; F79-D83 HydrophobicContact CE1-CB 3.87Å; F79-D83 VanDerWaalsContact O-CB 3.27Å; F79-D83 WeakPolarHBondContact O-CB 3.28Å; F79-D83 PolarHBondContact O-N 3.47Å; F79-G88 WeakPolarHBondContact CZ-O 3.39Å; F79-I90 HydrophobicContact CD2-CD1 3.55Å; F79-I90 HydrophobicContact CD2-CG1 4.09Å; F79-I90 HydrophobicContact CE1-CG1 4.41Å; F79-I90 HydrophobicContact CE2-CD1 3.59Å; F79-I90 HydrophobicContact CE2-CG1 3.69Å; F79-I90 HydrophobicContact CG-CD1 4.19Å; F79-I90 HydrophobicContact CZ-CD1 4.24Å; F79-I90 HydrophobicContact CZ-CG1 3.86Å
80	A	85.8	Confident	84.1	Confident	67 Å²	67	66.2 Å²	66.2	55%	0.554	35%	0.351	S	S	*	.	H	α-helix	trans	-67.5	-19.9	178.6	0	0	0	0	0	113.4	Q76 K77 I78	Q76-A80 WeakPolarHBondContact O-CB 3.42Å; Q76-A80 PolarHBondContact O-N 3.37Å; K77-A80 PolarHBondContact O-N 2.98Å; I78-A80 PolarHBondContact O-N 3.48Å
81	Y	83.2	Confident	84.9	Confident	113 Å²	113	65.7 Å²	65.7	44%	0.443	35%	0.352	S	S	.	.	H	α-helix	trans	-78.4	-36.6	172.6	-174.7	-82.1	0	0	0	111.3	N5 F9 K77 I78 F79 F98	N5-Y81 PolarHBondContact ND2-OH 3.15Å; F9-Y81 HydrophobicContact CZ-CE1 4.4Å; K77-Y81 WeakPolarHBondContact O-CB 3.13Å; K77-Y81 PolarHBondContact O-N 2.89Å; I78-Y81 WeakPolarHBondContact O-CB 3.27Å; I78-Y81 PolarHBondContact O-N 3.1Å; I78-Y81 VanDerWaalsContact O-N 3.07Å; F79-Y81 PolarHBondContact O-N 2.99Å; Y81-F98 AromaticContact CD1-CD2 3.57Å; Y81-F98 HydrophobicContact CD1-CD2 3.57Å; Y81-F98 AromaticContact CD1-CE2 3.26Å; Y81-F98 HydrophobicContact CD1-CE2 3.26Å; Y81-F98 HydrophobicContact CD1-CZ 4.46Å; Y81-F98 AromaticContact CE1-CD2 3.6Å; Y81-F98 HydrophobicContact CE1-CD2 3.6Å; Y81-F98 AromaticContact CE1-CE2 3.39Å; Y81-F98 HydrophobicContact CE1-CE2 3.39Å; Y81-F98 HydrophobicContact CG-CE2 4.5Å
82	C	83.2	Confident	85.1	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-76.1	-37.5	175.5	-56.6	0	0	0	0	112.9	I78 F79 T84 I90 F98	I78-C82 PolarHBondContact O-N 3.29Å; I78-C82 PolarHBondContact O-SG 2.88Å; F79-C82 PolarHBondContact O-N 3.47Å; F79-C82 VanDerWaalsContact O-N 3.15Å; C82-T84 VanDerWaalsContact C-N 3.33Å; C82-T84 PolarHBondContact O-N 3.42Å; C82-I90 HydrophobicContact CB-CD1 3.57Å; C82-I90 HydrophobicContact CB-CG1 3.89Å; C82-I90 HydrophobicContact CB-CG2 4.31Å; C82-F98 HydrophobicContact CB-CG 4.41Å; C82-F98 VanDerWaalsContact SG-CD2 3.59Å; C82-F98 VanDerWaalsContact SG-CG 3.58Å
83	D	87	Confident	85.2	Confident	10 Å²	10	67 Å²	67	5%	0.053	35%	0.347	C	S	.	.			trans	-78	79.3	-179.5	-179.8	16.4	0	0	0	110.2	F79 K86 S87 G88	F79-D83 HydrophobicContact CD1-CB 4.11Å; F79-D83 HydrophobicContact CE1-CB 3.87Å; F79-D83 VanDerWaalsContact O-CB 3.27Å; F79-D83 WeakPolarHBondContact O-CB 3.28Å; F79-D83 PolarHBondContact O-N 3.47Å; D83-K86 VanDerWaalsContact CG-CA 3.47Å; D83-K86 PolarHBondContact O-N 3.04Å; D83-K86 WeakPolarHBondContact OD1-CA 3.38Å; D83-K86 PolarHBondContact OD1-N 2.98Å; D83-K86 WeakPolarHBondContact OD2-CA 3.43Å; D83-S87 PolarHBondContact OD1-N 3.25Å; D83-G88 VanDerWaalsContact OD2-CA 3.31Å; D83-G88 WeakPolarHBondContact OD2-CA 3.47Å; D83-G88 PolarHBondContact OD2-N 3.41Å
84	T	83	Confident	85.2	Confident	109 Å²	109	64.9 Å²	64.9	67%	0.669	33%	0.329	S	S	*	.	S	Bend	trans	-69.9	-35.3	-177.4	53.8	0	0	0	0	112.2	C82 K86 E94	C82-T84 VanDerWaalsContact C-N 3.33Å; C82-T84 PolarHBondContact O-N 3.42Å; T84-K86 VanDerWaalsContact C-N 3.27Å; T84-K86 PolarHBondContact O-N 3.07Å; T84-E94 PolarHBondContact N-OE1 3Å; T84-E94 PolarHBondContact OG1-OE1 2.9Å
85	D	86.7	Confident	85	Confident	128 Å²	128	62.6 Å²	62.6	68%	0.684	32%	0.317	S	S	*	.	S	Bend	trans	-79.3	-10.9	177.4	-163.9	71.1	0	0	0	112.7	S87 E94	D85-S87 PolarHBondContact O-N 2.84Å; D85-E94 PolarHBondContact N-OE1 3.11Å
86	K	83.5	Confident	84.9	Confident	179 Å²	179	63.7 Å²	63.7	78%	0.778	32%	0.321	S	S	*	.			trans	57.5	32.2	-174.1	-57.2	176.6	-178.6	172.7	0	112.2	D83 T84 G88	D83-K86 VanDerWaalsContact CG-CA 3.47Å; D83-K86 PolarHBondContact O-N 3.04Å; D83-K86 WeakPolarHBondContact OD1-CA 3.38Å; D83-K86 PolarHBondContact OD1-N 2.98Å; D83-K86 WeakPolarHBondContact OD2-CA 3.43Å; T84-K86 VanDerWaalsContact C-N 3.27Å; T84-K86 PolarHBondContact O-N 3.07Å; K86-G88 PolarHBondContact O-N 3.4Å
87	S	87.1	Confident	84.7	Confident	48 Å²	48	62.1 Å²	62.1	34%	0.336	32%	0.317	S	S	.	.	S	Bend	trans	-68.5	-21.6	178.6	80.2	0	0	0	0	111.3	D83 D85 Y89	D83-S87 PolarHBondContact OD1-N 3.25Å; D85-S87 PolarHBondContact O-N 2.84Å; S87-Y89 VanDerWaalsContact C-N 3.32Å; S87-Y89 WeakPolarHBondContact O-CD2 3.35Å; S87-Y89 PolarHBondContact OG-N 2.99Å; S87-Y89 PolarHBondContact OG-O 2.86Å
88	G	86.8	Confident	84.2	Confident	19 Å²	19	57.4 Å²	57.4	20%	0.196	30%	0.296	C	S	.	.	S	Bend	trans	85.4	5.1	-170.6	0	0	0	0	0	113.7	F79 D83 K86	F79-G88 WeakPolarHBondContact CZ-O 3.39Å; D83-G88 VanDerWaalsContact OD2-CA 3.31Å; D83-G88 WeakPolarHBondContact OD2-CA 3.47Å; D83-G88 PolarHBondContact OD2-N 3.41Å; K86-G88 PolarHBondContact O-N 3.4Å
89	Y	88.9	Confident	83.7	Confident	88 Å²	88	59 Å²	59	35%	0.345	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.5	177.7	-57.2	-90.1	0	0	0	109	R53 N55 S87	R53-Y89 HydrophobicContact CG-CD1 4.08Å; R53-Y89 HydrophobicContact CG-CG 4.42Å; N55-Y89 HydrophobicContact CB-CD1 3.63Å; N55-Y89 HydrophobicContact CB-CE1 3.67Å; S87-Y89 VanDerWaalsContact C-N 3.32Å; S87-Y89 WeakPolarHBondContact O-CD2 3.35Å; S87-Y89 PolarHBondContact OG-N 2.99Å; S87-Y89 PolarHBondContact OG-O 2.86Å
90	I	86.9	Confident	83	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.6	173	-60.6	165.8	0	0	0	107.5	R53 I54 F59 F79 C82 E94 F95	R53-I90 CarbonylContact C-O 3.59Å; R53-I90 WeakPolarHBondContact CA-O 3.33Å; I54-I90 HydrophobicContact CB-CB 4.29Å; I54-I90 PolarHBondContact N-O 2.86Å; I54-I90 PolarHBondContact O-N 3.46Å; F59-I90 HydrophobicContact CD2-CD1 4.2Å; F59-I90 HydrophobicContact CE2-CD1 4.37Å; F79-I90 HydrophobicContact CD2-CD1 3.55Å; F79-I90 HydrophobicContact CD2-CG1 4.09Å; F79-I90 HydrophobicContact CE1-CG1 4.41Å; F79-I90 HydrophobicContact CE2-CD1 3.59Å; F79-I90 HydrophobicContact CE2-CG1 3.69Å; F79-I90 HydrophobicContact CG-CD1 4.19Å; F79-I90 HydrophobicContact CZ-CD1 4.24Å; F79-I90 HydrophobicContact CZ-CG1 3.86Å; C82-I90 HydrophobicContact CB-CD1 3.57Å; C82-I90 HydrophobicContact CB-CG1 3.89Å; C82-I90 HydrophobicContact CB-CG2 4.31Å; I90-E94 WeakPolarHBondContact CA-OE2 3.15Å; I90-E94 HydrophobicContact CG2-CB 4.09Å; I90-F95 HydrophobicContact CG2-CB 3.89Å; I90-F95 HydrophobicContact CG2-CD2 4.49Å
91	D	88.6	Confident	81.8	Confident	70 Å²	70	63 Å²	63	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	161.1	176.7	-68.6	-58.8	0	0	0	111.4	R53 Q93 E94 F95	R53-D91 WeakPolarHBondContact CB-OD1 3.11Å; D91-Q93 PolarHBondContact O-N 3.46Å; D91-Q93 VanDerWaalsContact O-N 3.15Å; D91-E94 PolarHBondContact N-OE2 2.9Å; D91-E94 VanDerWaalsContact N-OE2 3.15Å; D91-E94 PolarHBondContact O-N 3.49Å; D91-F95 PolarHBondContact O-N 2.99Å
92	F	85.1	Confident	80.1	Confident	54 Å²	54	69 Å²	69	24%	0.237	36%	0.361	C	S	.	.	H	α-helix	trans	-51.3	-40.1	177.2	177.3	-108.2	0	0	0	112.7	D36 W39 F43 K96	D36-F92 HydrophobicContact CB-CE1 4.41Å; D36-F92 HydrophobicContact CB-CZ 4.18Å; D36-F92 WeakPolarHBondContact O-CZ 3.18Å; W39-F92 HydrophobicContact CB-CE2 3.85Å; W39-F92 HydrophobicContact CB-CZ 4.16Å; F43-F92 HydrophobicContact CB-CD2 4.08Å; F43-F92 HydrophobicContact CD2-CB 4.45Å; F43-F92 HydrophobicContact CD2-CD2 4.17Å; F43-F92 HydrophobicContact CE2-CB 4.35Å; F43-F92 HydrophobicContact CG-CD2 4.03Å; F92-K96 HydrophobicContact CE1-CD 4.44Å; F92-K96 VanDerWaalsContact O-CB 3.23Å; F92-K96 WeakPolarHBondContact O-CB 3.24Å; F92-K96 PolarHBondContact O-N 2.93Å
93	Q	84.8	Confident	79.9	Confident	103 Å²	103	72.4 Å²	72.4	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-68.1	-40.5	179.1	-170.4	63.6	55.9	0	0	112.3	D91 K96 N97	D91-Q93 PolarHBondContact O-N 3.46Å; D91-Q93 VanDerWaalsContact O-N 3.15Å; Q93-K96 PolarHBondContact O-N 3.34Å; Q93-N97 PolarHBondContact NE2-OD1 3.5Å; Q93-N97 VanDerWaalsContact O-CB 3.31Å; Q93-N97 WeakPolarHBondContact O-CB 3.5Å; Q93-N97 PolarHBondContact O-N 3.23Å; Q93-N97 PolarHBondContact O-OD1 3.23Å
94	E	85.4	Confident	79.5	Confident	16 Å²	16	75.6 Å²	75.6	8%	0.075	40%	0.395	C	S	.	.	H	α-helix	trans	-67.8	-42.3	176.9	-67.6	-174.6	120.6	0	0	111	T84 D85 I90 D91 N97 F98	T84-E94 PolarHBondContact N-OE1 3Å; T84-E94 PolarHBondContact OG1-OE1 2.9Å; D85-E94 PolarHBondContact N-OE1 3.11Å; I90-E94 WeakPolarHBondContact CA-OE2 3.15Å; I90-E94 HydrophobicContact CG2-CB 4.09Å; D91-E94 PolarHBondContact N-OE2 2.9Å; D91-E94 VanDerWaalsContact N-OE2 3.15Å; D91-E94 PolarHBondContact O-N 3.49Å; E94-N97 PolarHBondContact O-N 3.06Å; E94-F98 WeakPolarHBondContact O-CB 3.47Å; E94-F98 PolarHBondContact O-N 3.24Å
95	F	81.1	Confident	79.3	Confident	9 Å²	9	73.8 Å²	73.8	4%	0.039	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-47.1	175.3	-173.9	-104.5	0	0	0	111.4	W39 V42 F43 I54 I90 D91 F98 M99	W39-F95 HydrophobicContact CE3-CD1 4.31Å; W39-F95 AromaticContact CE3-CE1 3.69Å; W39-F95 HydrophobicContact CE3-CE1 3.69Å; W39-F95 HydrophobicContact CE3-CZ 4.44Å; W39-F95 HydrophobicContact CZ3-CE1 4.32Å; V42-F95 HydrophobicContact CB-CE1 4.17Å; V42-F95 HydrophobicContact CB-CZ 4.46Å; V42-F95 HydrophobicContact CG1-CE1 3.8Å; V42-F95 HydrophobicContact CG1-CZ 3.59Å; F43-F95 HydrophobicContact CD2-CB 4.08Å; F43-F95 HydrophobicContact CD2-CD1 4.19Å; F43-F95 HydrophobicContact CD2-CG 4.16Å; F43-F95 HydrophobicContact CE2-CB 4.38Å; I54-F95 HydrophobicContact CD1-CD2 4.34Å; I90-F95 HydrophobicContact CG2-CB 3.89Å; I90-F95 HydrophobicContact CG2-CD2 4.49Å; D91-F95 PolarHBondContact O-N 2.99Å; F95-F98 PolarHBondContact O-N 2.7Å; F95-M99 HydrophobicContact CD1-CG 4.45Å; F95-M99 HydrophobicContact CE1-CE 4.28Å; F95-M99 HydrophobicContact CE1-CG 4.2Å; F95-M99 HydrophobicContact CE2-CE 3.72Å; F95-M99 HydrophobicContact CE2-CG 4.33Å; F95-M99 HydrophobicContact CZ-CE 3.43Å; F95-M99 VanDerWaalsContact CZ-CE 3.43Å; F95-M99 HydrophobicContact CZ-CG 4.12Å; F95-M99 WeakPolarHBondContact O-CB 3.22Å; F95-M99 WeakPolarHBondContact O-CG 3.46Å; F95-M99 PolarHBondContact O-N 3.34Å
96	K	79.8	Confident	78.9	Confident	30 Å²	30	70.6 Å²	70.6	13%	0.13	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-49.3	175.9	177.3	178.2	166	-173.9	0	111	D36 W39 F92 Q93 F98 M99 E100	D36-K96 WeakPolarHBondContact OD1-CE 3.39Å; D36-K96 IonicContact OD1-NZ 3.92Å; D36-K96 PolarHBondContact OD1-NZ 2.84Å; D36-K96 IonicContact OD2-NZ 2.64Å; W39-K96 HydrophobicContact CG-CG 4.46Å; F92-K96 HydrophobicContact CE1-CD 4.44Å; F92-K96 VanDerWaalsContact O-CB 3.23Å; F92-K96 WeakPolarHBondContact O-CB 3.24Å; F92-K96 PolarHBondContact O-N 2.93Å; Q93-K96 PolarHBondContact O-N 3.34Å; K96-F98 PolarHBondContact O-N 3.5Å; K96-M99 PolarHBondContact O-N 2.9Å; K96-E100 WeakPolarHBondContact CE-OE1 3.34Å; K96-E100 WeakPolarHBondContact CE-OE2 3.42Å; K96-E100 HydrophobicContact CG-CG 4.1Å; K96-E100 VanDerWaalsContact CG-OE2 3.26Å; K96-E100 WeakPolarHBondContact CG-OE2 3.31Å; K96-E100 IonicContact NZ-OE2 3.91Å; K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.19Å; K96-E100 WeakPolarHBondContact O-CG 3.32Å; K96-E100 PolarHBondContact O-N 2.86Å
97	N	80.2	Confident	78.6	Confident	83 Å²	83	63.8 Å²	63.8	44%	0.444	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-43.7	178.8	-72.4	-2.6	0	0	0	112	Q93 E94 M99 G101	Q93-N97 PolarHBondContact NE2-OD1 3.5Å; Q93-N97 VanDerWaalsContact O-CB 3.31Å; Q93-N97 WeakPolarHBondContact O-CB 3.5Å; Q93-N97 PolarHBondContact O-N 3.23Å; Q93-N97 PolarHBondContact O-OD1 3.23Å; E94-N97 PolarHBondContact O-N 3.06Å; N97-M99 VanDerWaalsContact C-N 3.28Å; N97-M99 PolarHBondContact O-N 3.42Å; N97-G101 PolarHBondContact O-N 3.06Å
98	F	75	Confident	78.1	Confident	37 Å²	37	64.9 Å²	64.9	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-39.5	177.4	171.5	-100.5	0	0	0	111.8	F9 Y81 C82 E94 F95 K96	F9-F98 HydrophobicContact CE1-CE1 4.29Å; F9-F98 HydrophobicContact CE1-CE2 4.04Å; F9-F98 AromaticContact CE1-CZ 3.76Å; F9-F98 HydrophobicContact CE1-CZ 3.76Å; F9-F98 HydrophobicContact CE2-CE2 4.5Å; F9-F98 HydrophobicContact CZ-CD2 4.3Å; F9-F98 AromaticContact CZ-CE2 3.49Å; F9-F98 HydrophobicContact CZ-CE2 3.49Å; F9-F98 VanDerWaalsContact CZ-CE2 3.49Å; F9-F98 AromaticContact CZ-CZ 3.64Å; F9-F98 HydrophobicContact CZ-CZ 3.64Å; Y81-F98 AromaticContact CD1-CD2 3.57Å; Y81-F98 HydrophobicContact CD1-CD2 3.57Å; Y81-F98 AromaticContact CD1-CE2 3.26Å; Y81-F98 HydrophobicContact CD1-CE2 3.26Å; Y81-F98 HydrophobicContact CD1-CZ 4.46Å; Y81-F98 AromaticContact CE1-CD2 3.6Å; Y81-F98 HydrophobicContact CE1-CD2 3.6Å; Y81-F98 AromaticContact CE1-CE2 3.39Å; Y81-F98 HydrophobicContact CE1-CE2 3.39Å; Y81-F98 HydrophobicContact CG-CE2 4.5Å; C82-F98 HydrophobicContact CB-CG 4.41Å; C82-F98 VanDerWaalsContact SG-CD2 3.59Å; C82-F98 VanDerWaalsContact SG-CG 3.58Å; E94-F98 WeakPolarHBondContact O-CB 3.47Å; E94-F98 PolarHBondContact O-N 3.24Å; F95-F98 PolarHBondContact O-N 2.7Å; K96-F98 PolarHBondContact O-N 3.5Å
99	M	71	Confident	77.4	Confident	72 Å²	72	68.1 Å²	68.1	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-84.5	-32.6	-178.2	-69.8	-67.5	-149.6	0	0	114.2	W39 F95 K96 N97 G101	W39-M99 HydrophobicContact CD2-CB 4.02Å; W39-M99 HydrophobicContact CD2-CG 4.45Å; W39-M99 HydrophobicContact CE3-CB 3.86Å; W39-M99 HydrophobicContact CE3-CG 3.83Å; W39-M99 HydrophobicContact CH2-CB 3.31Å; W39-M99 HydrophobicContact CH2-CG 3.71Å; W39-M99 HydrophobicContact CH2-SD 4Å; W39-M99 HydrophobicContact CZ2-CB 3.41Å; W39-M99 VanDerWaalsContact CZ2-CB 3.41Å; W39-M99 HydrophobicContact CZ2-CG 4.28Å; W39-M99 HydrophobicContact CZ3-CB 3.52Å; W39-M99 HydrophobicContact CZ3-CE 3.89Å; W39-M99 HydrophobicContact CZ3-CG 3.42Å; W39-M99 VanDerWaalsContact CZ3-CG 3.42Å; W39-M99 HydrophobicContact CZ3-SD 3.86Å; F95-M99 HydrophobicContact CD1-CG 4.45Å; F95-M99 HydrophobicContact CE1-CE 4.28Å; F95-M99 HydrophobicContact CE1-CG 4.2Å; F95-M99 HydrophobicContact CE2-CE 3.72Å; F95-M99 HydrophobicContact CE2-CG 4.33Å; F95-M99 HydrophobicContact CZ-CE 3.43Å; F95-M99 VanDerWaalsContact CZ-CE 3.43Å; F95-M99 HydrophobicContact CZ-CG 4.12Å; F95-M99 WeakPolarHBondContact O-CB 3.22Å; F95-M99 WeakPolarHBondContact O-CG 3.46Å; F95-M99 PolarHBondContact O-N 3.34Å; K96-M99 PolarHBondContact O-N 2.9Å; N97-M99 VanDerWaalsContact C-N 3.28Å; N97-M99 PolarHBondContact O-N 3.42Å; M99-G101 PolarHBondContact O-N 3.06Å
100	E	69.1	Low	76.5	Confident	85 Å²	85	66.6 Å²	66.6	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-72.9	-13.2	174.5	-75.6	-171.4	130.8	0	0	112.5	K96 H102	K96-E100 WeakPolarHBondContact CE-OE1 3.34Å; K96-E100 WeakPolarHBondContact CE-OE2 3.42Å; K96-E100 HydrophobicContact CG-CG 4.1Å; K96-E100 VanDerWaalsContact CG-OE2 3.26Å; K96-E100 WeakPolarHBondContact CG-OE2 3.31Å; K96-E100 IonicContact NZ-OE2 3.91Å; K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.19Å; K96-E100 WeakPolarHBondContact O-CG 3.32Å; K96-E100 PolarHBondContact O-N 2.86Å; E100-H102 VanDerWaalsContact C-N 3.33Å; E100-H102 PolarHBondContact O-N 2.6Å
101	G	62.5	Low	75.7	Confident	66 Å²	66	72.2 Å²	72.2	68%	0.68	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	33.4	165.3	0	0	0	0	0	114.7	N97 M99	N97-G101 PolarHBondContact O-N 3.06Å; M99-G101 PolarHBondContact O-N 3.06Å
102	H	45.7	Very low	74.5	Confident	241 Å²	241	72.4 Å²	72.4	100%	1.116	37%	0.374	S	S	*	.			trans	-107.1	0	-173.8	-121.1	-61.4	0	0	0	114.6	E100	E100-H102 VanDerWaalsContact C-N 3.33Å; E100-H102 PolarHBondContact O-N 2.6Å

Retrieved 102 of 102 residues in 32.4 ms (Link to these results)

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