A0A5K4F334_SCHMA Loading...

Miff domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F334, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	52	Low	225 Å²	225	154.6 Å²	154.6	100%	1.108	77%	0.765	S	S	*	*				0	116.8	0	-65.4	-53.3	-174.1	0	0	106.9
2	D	42.8	Very low	52.6	Low	131 Å²	131	151.4 Å²	151.4	70%	0.701	75%	0.746	S	S	*	*			trans	48.3	108	157.6	-44.1	-34.3	0	0	0	118.6
3	H	47	Very low	53.3	Low	186 Å²	186	146.7 Å²	146.7	86%	0.861	73%	0.725	S	S	*	*				-159.7	74.8	122.2	-78	-47.7	0	0	0	107.5	Y5	H3-Y5 PolarHBondContact O-N 2.99Å
4	L	50.4	Low	53.7	Low	176 Å²	176	144.1 Å²	144.1	92%	0.921	72%	0.716	S	S	*	*			trans	-83.1	20.9	173	-116.6	151.4	0	0	0	112.4	S6	L4-S6 PolarHBondContact O-N 3.05Å
5	Y	52.2	Low	53.6	Low	211 Å²	211	146.2 Å²	146.2	83%	0.827	71%	0.714	S	S	*	*			trans	-88.2	101.6	174.5	-79.4	-83.9	0	0	0	109.2	H3 K7	H3-Y5 PolarHBondContact O-N 2.99Å; Y5-K7 PolarHBondContact O-N 3.25Å
6	S	52.1	Low	53.8	Low	107 Å²	107	141.3 Å²	141.3	75%	0.748	70%	0.695	S	S	*	*			trans	-52.7	109	155.4	-70.5	0	0	0	0	107	L4 L8	L4-S6 PolarHBondContact O-N 3.05Å; S6-L8 VanDerWaalsContact C-N 3.28Å; S6-L8 PolarHBondContact O-N 3.22Å
7	K	54.4	Low	54.3	Low	205 Å²	205	138.9 Å²	138.9	89%	0.891	69%	0.686	S	S	*	*			trans	-56.6	96.5	167.7	-101.8	176.5	169.9	176.8	0	106.8	Y5 S9	Y5-K7 PolarHBondContact O-N 3.25Å; K7-S9 PolarHBondContact O-N 3.34Å
8	L	55	Low	54.6	Low	87 Å²	87	135.3 Å²	135.3	46%	0.455	67%	0.67	S	S	.	*			trans	-56.5	124.6	159.4	-93	79.2	0	0	0	106.1	S6 E12	S6-L8 VanDerWaalsContact C-N 3.28Å; S6-L8 PolarHBondContact O-N 3.22Å; L8-E12 HydrophobicContact CB-CB 4.29Å; L8-E12 HydrophobicContact CD2-CB 4.05Å; L8-E12 HydrophobicContact CG-CB 4.12Å
9	S	58.1	Low	54.9	Low	61 Å²	61	132.5 Å²	132.5	43%	0.427	66%	0.657	S	S	.	*			trans	-57.6	147.9	168.6	174	0	0	0	0	108.6	K7 Y11 E12 L13	K7-S9 PolarHBondContact O-N 3.34Å; S9-Y11 PolarHBondContact O-N 2.93Å; S9-Y11 PolarHBondContact OG-N 3.33Å; S9-E12 PolarHBondContact O-N 3.12Å; S9-L13 PolarHBondContact O-N 3.37Å
10	T	60.8	Low	55.2	Low	113 Å²	113	131.6 Å²	131.6	69%	0.693	65%	0.654	S	S	*	*	H	α-helix	trans	-50.2	-31.4	173.6	-34.6	0	0	0	0	111.6	D14	T10-D14 PolarHBondContact O-N 3.33Å
11	Y	58.4	Low	55.6	Low	199 Å²	199	133.4 Å²	133.4	78%	0.78	66%	0.658	S	S	*	*	H	α-helix	trans	-68.6	-30.3	174.2	-81.6	-84.3	0	0	0	115.1	S9	S9-Y11 PolarHBondContact O-N 2.93Å; S9-Y11 PolarHBondContact OG-N 3.33Å
12	E	59.4	Low	56.7	Low	116 Å²	116	130.1 Å²	130.1	54%	0.542	64%	0.638	S	S	.	*	H	α-helix	trans	-77.8	-31.9	176.8	-78.2	-159.6	141.2	0	0	112	L8 S9 Y15 T16	L8-E12 HydrophobicContact CB-CB 4.29Å; L8-E12 HydrophobicContact CD2-CB 4.05Å; L8-E12 HydrophobicContact CG-CB 4.12Å; S9-E12 PolarHBondContact O-N 3.12Å; E12-Y15 PolarHBondContact O-N 2.99Å; E12-T16 PolarHBondContact O-N 3.35Å
13	L	60.7	Low	57.5	Low	90 Å²	90	131 Å²	131	47%	0.471	64%	0.639	S	S	.	*	H	α-helix	trans	-68.1	-43.9	-179.6	-135.6	147.1	0	0	0	111.2	S9 Y15 T16 D17	S9-L13 PolarHBondContact O-N 3.37Å; L13-Y15 PolarHBondContact O-N 3.3Å; L13-T16 PolarHBondContact O-N 3.4Å; L13-T16 PolarHBondContact O-OG1 2.89Å; L13-D17 PolarHBondContact O-N 2.97Å
14	D	59.1	Low	58.2	Low	111 Å²	111	130.4 Å²	130.4	59%	0.594	63%	0.63	S	S	*	*	H	α-helix	trans	-61	-32.2	175	-81.9	-16.4	0	0	0	112.6	T10 D18	T10-D14 PolarHBondContact O-N 3.33Å; D14-D18 PolarHBondContact O-N 2.84Å
15	Y	53	Low	58.6	Low	175 Å²	175	127.5 Å²	127.5	69%	0.686	62%	0.619	S	S	*	*	H	α-helix	trans	-72.3	-37.8	179.5	-144.5	-89.5	0	0	0	112.1	E12 L13 I19	E12-Y15 PolarHBondContact O-N 2.99Å; L13-Y15 PolarHBondContact O-N 3.3Å; Y15-I19 HydrophobicContact CD1-CD1 3.75Å; Y15-I19 HydrophobicContact CD1-CG1 4.43Å; Y15-I19 HydrophobicContact CE1-CD1 3.91Å; Y15-I19 WeakPolarHBondContact O-CG1 3.46Å; Y15-I19 PolarHBondContact O-N 3.33Å
16	T	57.1	Low	59	Low	67 Å²	67	122.2 Å²	122.2	41%	0.411	61%	0.61	S	S	.	*	H	α-helix	trans	-71.2	-34	177.7	50.8	0	0	0	0	113	E12 L13 N20	E12-T16 PolarHBondContact O-N 3.35Å; L13-T16 PolarHBondContact O-N 3.4Å; L13-T16 PolarHBondContact O-OG1 2.89Å; T16-N20 PolarHBondContact O-N 2.81Å; T16-N20 PolarHBondContact O-ND2 3.24Å
17	D	61.4	Low	59.6	Low	101 Å²	101	124.7 Å²	124.7	54%	0.54	61%	0.61	S	S	.	*	H	α-helix	trans	-73.6	-37.4	177.6	-91.1	-11.8	0	0	0	112.5	L13 N20 K21	L13-D17 PolarHBondContact O-N 2.97Å; D17-N20 PolarHBondContact O-N 3Å; D17-K21 WeakPolarHBondContact O-CB 3.32Å; D17-K21 PolarHBondContact O-N 3.42Å
18	D	60	Low	59.7	Low	74 Å²	74	123.8 Å²	123.8	40%	0.396	61%	0.606	S	S	.	*	H	α-helix	trans	-66.7	-37.5	177.7	-170.6	43.9	0	0	0	112.3	D14 K21 K22	D14-D18 PolarHBondContact O-N 2.84Å; D18-K21 PolarHBondContact O-N 3.15Å; D18-K22 WeakPolarHBondContact O-CB 3.18Å; D18-K22 PolarHBondContact O-N 3.18Å; D18-K22 WeakPolarHBondContact OD1-CE 3.32Å; D18-K22 IonicContact OD1-NZ 3.92Å; D18-K22 PolarHBondContact OD1-NZ 2.96Å; D18-K22 WeakPolarHBondContact OD2-CE 3.38Å; D18-K22 IonicContact OD2-NZ 3.78Å; D18-K22 PolarHBondContact OD2-NZ 3.41Å
19	I	60.1	Low	59.7	Low	83 Å²	83	127.2 Å²	127.2	43%	0.426	62%	0.624	S	S	.	*	H	α-helix	trans	-64	-46.3	176.2	-67.9	170.7	0	0	0	110.6	Y15 K21 K22 M23	Y15-I19 HydrophobicContact CD1-CD1 3.75Å; Y15-I19 HydrophobicContact CD1-CG1 4.43Å; Y15-I19 HydrophobicContact CE1-CD1 3.91Å; Y15-I19 WeakPolarHBondContact O-CG1 3.46Å; Y15-I19 PolarHBondContact O-N 3.33Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.04Å; I19-K22 PolarHBondContact O-N 3.46Å; I19-M23 HydrophobicContact CG2-CG 4.18Å; I19-M23 VanDerWaalsContact O-CB 3.27Å; I19-M23 WeakPolarHBondContact O-CB 3.5Å; I19-M23 WeakPolarHBondContact O-CG 3.37Å; I19-M23 PolarHBondContact O-N 2.88Å
20	N	61.3	Low	59.4	Low	113 Å²	113	129.1 Å²	129.1	60%	0.604	64%	0.638	S	S	*	*	H	α-helix	trans	-67.9	-29.9	180	-75.1	-34.2	0	0	0	112.3	T16 D17 R24	T16-N20 PolarHBondContact O-N 2.81Å; T16-N20 PolarHBondContact O-ND2 3.24Å; D17-N20 PolarHBondContact O-N 3Å; N20-R24 PolarHBondContact O-N 3.37Å
21	K	63	Low	58.8	Low	171 Å²	171	134 Å²	134	74%	0.743	65%	0.645	S	S	*	*	H	α-helix	trans	-77.1	-36.4	177.9	-148.1	174.1	-171.4	176.4	0	112.7	D17 D18 I19	D17-K21 WeakPolarHBondContact O-CB 3.32Å; D17-K21 PolarHBondContact O-N 3.42Å; D18-K21 PolarHBondContact O-N 3.15Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.04Å
22	K	65.1	Low	58.5	Low	156 Å²	156	131.5 Å²	131.5	68%	0.678	65%	0.645	S	S	*	*	H	α-helix	trans	-80.2	-26.3	177.6	-75.7	174	178.4	160.6	0	113.9	D18 I19 R24	D18-K22 WeakPolarHBondContact O-CB 3.18Å; D18-K22 PolarHBondContact O-N 3.18Å; D18-K22 WeakPolarHBondContact OD1-CE 3.32Å; D18-K22 IonicContact OD1-NZ 3.92Å; D18-K22 PolarHBondContact OD1-NZ 2.96Å; D18-K22 WeakPolarHBondContact OD2-CE 3.38Å; D18-K22 IonicContact OD2-NZ 3.78Å; D18-K22 PolarHBondContact OD2-NZ 3.41Å; I19-K22 PolarHBondContact O-N 3.46Å; K22-R24 VanDerWaalsContact C-N 3.3Å
23	M	60.1	Low	58	Low	148 Å²	148	130.6 Å²	130.6	73%	0.729	65%	0.652	S	S	*	*	S	Bend	trans	-81.3	-9.6	174.7	-69.7	-75.5	-75.4	0	0	113.1	I19 V25	I19-M23 HydrophobicContact CG2-CG 4.18Å; I19-M23 VanDerWaalsContact O-CB 3.27Å; I19-M23 WeakPolarHBondContact O-CB 3.5Å; I19-M23 WeakPolarHBondContact O-CG 3.37Å; I19-M23 PolarHBondContact O-N 2.88Å; M23-V25 PolarHBondContact O-N 3.27Å
24	R	60.6	Low	57.6	Low	174 Å²	174	133 Å²	133	66%	0.657	67%	0.665	S	S	*	*			trans	-71.3	106.1	178.7	-162.9	171.4	-170	140.4	2.2	109.5	N20 K22 E27	N20-R24 PolarHBondContact O-N 3.37Å; K22-R24 VanDerWaalsContact C-N 3.3Å; R24-E27 IonicContact CZ-OE1 2.71Å; R24-E27 IonicContact NE-OE1 3.13Å; R24-E27 IonicContact NH2-OE1 3.27Å; R24-E27 PolarHBondContact NH2-OE1 2.92Å; R24-E27 VanDerWaalsContact NH2-OE1 3.13Å
25	V	59	Low	57	Low	116 Å²	116	135.4 Å²	135.4	70%	0.703	68%	0.678	S	S	*	*			trans	-53	125.4	168.6	-179.9	0	0	0	0	107.9	M23 E27	M23-V25 PolarHBondContact O-N 3.27Å; V25-E27 PolarHBondContact O-N 2.96Å; V25-E27 VanDerWaalsContact O-N 3.13Å
26	P	61.4	Low	56.5	Low	99 Å²	99	132.6 Å²	132.6	64%	0.643	68%	0.684	S	S	*	*			trans	-59.4	121	176.9	-0.1	1.6	0	0	0	109.6	K28	P26-K28 PolarHBondContact O-N 3.43Å
27	E	63.4	Low	56.1	Low	160 Å²	160	133.1 Å²	133.1	75%	0.748	70%	0.695	S	S	*	*	S	Bend	trans	-69	12.6	-177.4	-78.2	175.8	-156.5	0	0	114.4	R24 V25	R24-E27 IonicContact CZ-OE1 2.71Å; R24-E27 IonicContact NE-OE1 3.13Å; R24-E27 IonicContact NH2-OE1 3.27Å; R24-E27 PolarHBondContact NH2-OE1 2.92Å; R24-E27 VanDerWaalsContact NH2-OE1 3.13Å; V25-E27 PolarHBondContact O-N 2.96Å; V25-E27 VanDerWaalsContact O-N 3.13Å
28	K	57.4	Low	55.4	Low	185 Å²	185	134.6 Å²	134.6	80%	0.804	71%	0.708	S	S	*	*			trans	-139.2	82.6	-178.2	-62.1	-154.7	178.9	-160.9	0	112.9	P26	P26-K28 PolarHBondContact O-N 3.43Å
29	L	55.6	Low	54.7	Low	159 Å²	159	139.8 Å²	139.8	83%	0.832	73%	0.734	S	S	*	*			trans	-118	62.7	154.7	-93.1	140.7	0	0	0	107.5	Y31	L29-Y31 PolarHBondContact O-N 2.94Å
30	S	50.5	Low	54	Low	102 Å²	102	141.2 Å²	141.2	71%	0.713	75%	0.752	S	S	*	*			trans	-84	102.6	161.9	53.2	0	0	0	0	106.9	D32	S30-D32 PolarHBondContact O-N 3.19Å
31	Y	48.8	Very low	53.3	Low	214 Å²	214	145 Å²	145	84%	0.839	77%	0.766	S	S	*	*			trans	-79.6	111.8	172.6	-164.2	-89.7	0	0	0	107.7	L29 S33	L29-Y31 PolarHBondContact O-N 2.94Å; Y31-S33 PolarHBondContact O-N 3.44Å
32	D	50.8	Low	52.5	Low	147 Å²	147	140 Å²	140	79%	0.786	76%	0.763	S	S	*	*			trans	-66.6	123.1	170.5	-87	-31.3	0	0	0	109	S30	S30-D32 PolarHBondContact O-N 3.19Å
33	S	50.4	Low	51.4	Low	97 Å²	97	141.6 Å²	141.6	68%	0.678	77%	0.772	S	S	*	*			trans	-91.7	8.9	-167.8	-179.8	0	0	0	0	114.4	Y31 N35	Y31-S33 PolarHBondContact O-N 3.44Å; S33-N35 PolarHBondContact O-N 3.47Å
34	D	50.8	Low	50.8	Low	142 Å²	142	142.5 Å²	142.5	76%	0.759	78%	0.78	S	S	*	*			trans	-95.5	8.3	-159	-69.4	-14.8	0	0	0	116.5
35	N	47.2	Very low	50.4	Low	161 Å²	161	138.7 Å²	138.7	86%	0.861	78%	0.776	S	S	*	*			trans	-103.8	73.3	174.8	-109.1	25	0	0	0	112.3	S33 A37	S33-N35 PolarHBondContact O-N 3.47Å; N35-A37 PolarHBondContact O-N 3.46Å
36	S	43.5	Very low	49.7	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	77%	0.774	S	S	*	*			trans	-82.8	66.7	163.1	47.6	0	0	0	0	110.5	T38	S36-T38 PolarHBondContact O-N 2.91Å
37	A	47.7	Very low	49.2	Very low	77 Å²	77	140.9 Å²	140.9	64%	0.636	78%	0.778	S	S	*	*			trans	-92.4	92	168.4	0	0	0	0	0	109.3	N35 L39	N35-A37 PolarHBondContact O-N 3.46Å; A37-L39 PolarHBondContact O-N 2.9Å
38	T	46.5	Very low	48.6	Very low	133 Å²	133	143.6 Å²	143.6	82%	0.816	78%	0.781	S	S	*	*			trans	19.9	93.3	150.2	57.9	0	0	0	0	116.2	S36 S40	S36-T38 PolarHBondContact O-N 2.91Å; T38-S40 PolarHBondContact O-N 3.4Å
39	L	46.4	Very low	48.4	Very low	182 Å²	182	142.2 Å²	142.2	95%	0.953	78%	0.783	S	S	*	*			trans	-66.7	97.7	162	-83	155.6	0	0	0	108.6	A37	A37-L39 PolarHBondContact O-N 2.9Å
40	S	45.8	Very low	47.8	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.779	S	S	*	*			trans	-81.7	109.6	161.1	-172.7	0	0	0	0	108.3	T38	T38-S40 PolarHBondContact O-N 3.4Å
41	E	45.1	Very low	48	Very low	191 Å²	191	144.6 Å²	144.6	89%	0.893	78%	0.782	S	S	*	*	S	Bend	trans	-27.5	128.5	157.5	-166.1	165.8	-171.2	0	0	113.3
42	G	46.3	Very low	48.2	Very low	66 Å²	66	140.8 Å²	140.8	68%	0.68	78%	0.781	S	S	*	*			trans	151.4	-12.7	163.7	0	0	0	0	0	120.2
43	H	42.3	Very low	48.2	Very low	190 Å²	190	137.4 Å²	137.4	88%	0.88	77%	0.774	S	S	*	*			trans	-124.4	93.4	-177.1	-85.9	-44.7	0	0	0	113.4
44	D	46.8	Very low	48	Very low	167 Å²	167	139.4 Å²	139.4	89%	0.893	78%	0.777	S	S	*	*			trans	-70.8	137.1	165.2	-134.1	-14.5	0	0	0	110.2	S46	D44-S46 PolarHBondContact O-N 2.94Å
45	V	52.1	Low	48.3	Very low	95 Å²	95	140.5 Å²	140.5	58%	0.576	78%	0.782	S	S	*	*			trans	-78.5	115.3	-150.1	-169.7	0	0	0	0	111.6	F47	V45-F47 HydrophobicContact CB-CE2 4.42Å; V45-F47 WeakPolarHBondContact O-CD2 3.39Å; V45-F47 PolarHBondContact O-N 3.2Å; V45-F47 VanDerWaalsContact O-N 3.15Å
46	S	45.8	Very low	48.1	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	78%	0.776	S	S	*	*			trans	-70.5	101.5	167.7	176.3	0	0	0	0	109.9	D44 R48	D44-S46 PolarHBondContact O-N 2.94Å; S46-R48 PolarHBondContact O-N 3.29Å
47	F	50	Low	48.3	Very low	168 Å²	168	137.9 Å²	137.9	74%	0.737	77%	0.77	S	S	*	*			trans	-69.5	27	173.8	-72.9	-84.7	0	0	0	114.2	V45	V45-F47 HydrophobicContact CB-CE2 4.42Å; V45-F47 WeakPolarHBondContact O-CD2 3.39Å; V45-F47 PolarHBondContact O-N 3.2Å; V45-F47 VanDerWaalsContact O-N 3.15Å
48	R	51.8	Low	48.3	Very low	216 Å²	216	143.8 Å²	143.8	82%	0.815	78%	0.781	S	S	*	*			trans	-92	-6.9	-166.4	-95.4	-174.4	170.1	-118.3	-0.2	117.7	S46	S46-R48 PolarHBondContact O-N 3.29Å
49	N	51.8	Low	48.4	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	79%	0.787	S	S	*	*			trans	-139	52.9	-174.5	-77	-25.1	0	0	0	113.9
50	Y	43.3	Very low	48.4	Very low	188 Å²	188	145 Å²	145	74%	0.737	77%	0.773	S	S	*	*			trans	-86.2	124.6	156.2	-73.6	-77.8	0	0	0	108.3	V52	Y50-V52 PolarHBondContact O-N 2.88Å
51	P	55.3	Low	48.7	Very low	122 Å²	122	145.4 Å²	145.4	79%	0.792	78%	0.776	S	S	*	*			trans	-60.2	109	171.2	24.7	-30.5	0	0	0	107	A53	P51-A53 PolarHBondContact O-N 3.24Å
52	V	53.3	Low	49.2	Very low	135 Å²	135	144.3 Å²	144.3	82%	0.818	77%	0.771	S	S	*	*			trans	-60.4	112.8	169.3	-175.7	0	0	0	0	104.8	Y50 D54	Y50-V52 PolarHBondContact O-N 2.88Å; V52-D54 PolarHBondContact O-N 3.32Å
53	A	51.3	Low	49.2	Very low	76 Å²	76	151.2 Å²	151.2	63%	0.628	78%	0.778	S	S	*	*			trans	-51.4	119.3	174.7	0	0	0	0	0	107.4	P51 L55	P51-A53 PolarHBondContact O-N 3.24Å; A53-L55 PolarHBondContact O-N 3.27Å
54	D	44.6	Very low	49.5	Very low	138 Å²	138	145.5 Å²	145.5	74%	0.738	76%	0.763	S	S	*	*			trans	-62.8	98.2	-179.3	-159.4	1	0	0	0	107.4	V52 N56	V52-D54 PolarHBondContact O-N 3.32Å; D54-N56 PolarHBondContact O-N 2.85Å
55	L	56.6	Low	49.8	Very low	166 Å²	166	142.9 Å²	142.9	87%	0.869	76%	0.756	S	S	*	*			trans	-71.9	15.6	-178.9	-75.2	167.7	0	0	0	112.3	A53 A57	A53-L55 PolarHBondContact O-N 3.27Å; L55-A57 PolarHBondContact O-N 3.35Å; L55-A57 VanDerWaalsContact O-N 3.16Å
56	N	44.4	Very low	49.7	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	76%	0.764	S	S	*	*			trans	-81.5	20	178.2	-124.5	6.5	0	0	0	113.6	D54 K58	D54-N56 PolarHBondContact O-N 2.85Å; N56-K58 PolarHBondContact O-N 2.94Å
57	A	47	Very low	49.6	Very low	83 Å²	83	147.4 Å²	147.4	69%	0.686	77%	0.772	S	S	*	*			trans	-62.1	103.7	171.3	0	0	0	0	0	109.1	L55 R59	L55-A57 PolarHBondContact O-N 3.35Å; L55-A57 VanDerWaalsContact O-N 3.16Å; A57-R59 PolarHBondContact O-N 3.48Å
58	K	47.8	Very low	49.5	Very low	200 Å²	200	145 Å²	145	87%	0.87	78%	0.776	S	S	*	*			trans	-26.6	106	162.1	-79.1	174.2	171.1	178.3	0	109.6	N56 S60	N56-K58 PolarHBondContact O-N 2.94Å; K58-S60 VanDerWaalsContact C-N 3.3Å; K58-S60 PolarHBondContact O-N 3.06Å
59	R	48.1	Very low	49.9	Very low	246 Å²	246	139.2 Å²	139.2	93%	0.928	77%	0.767	S	S	*	*			trans	-59.4	99.7	165.7	-91.3	-180	163	143.5	-4	106.3	A57 S61	A57-R59 PolarHBondContact O-N 3.48Å; R59-S61 PolarHBondContact O-N 2.99Å
60	S	47.1	Very low	50.2	Low	94 Å²	94	139.1 Å²	139.1	66%	0.657	77%	0.766	S	S	*	*			trans	-60.6	119	160.4	56.3	0	0	0	0	105.7	K58 E62	K58-S60 VanDerWaalsContact C-N 3.3Å; K58-S60 PolarHBondContact O-N 3.06Å; S60-E62 PolarHBondContact O-N 3.43Å
61	S	52.8	Low	51	Low	124 Å²	124	137.2 Å²	137.2	87%	0.867	77%	0.767	S	S	*	*			trans	-74	63.8	170.9	57.2	0	0	0	0	108.2	R59 Y63	R59-S61 PolarHBondContact O-N 2.99Å; S61-Y63 PolarHBondContact O-N 3.05Å
62	E	54.4	Low	51.2	Low	167 Å²	167	136.7 Å²	136.7	78%	0.78	76%	0.757	S	S	*	*			trans	-93.9	100.3	173.2	-141.4	162.4	177.3	0	0	107.3	S60 A64	S60-E62 PolarHBondContact O-N 3.43Å; E62-A64 PolarHBondContact O-N 2.9Å
63	Y	47.4	Very low	51.2	Low	211 Å²	211	135 Å²	135	83%	0.827	74%	0.744	S	S	*	*			trans	-63.5	98.7	-178.1	-166.2	-95.3	0	0	0	108.5	S61 P65	S61-Y63 PolarHBondContact O-N 3.05Å; Y63-P65 HydrophobicContact CD1-CB 4.26Å; Y63-P65 HydrophobicContact CD1-CG 4.29Å; Y63-P65 HydrophobicContact CE1-CB 4.07Å; Y63-P65 VanDerWaalsContact O-CD 3.28Å; Y63-P65 WeakPolarHBondContact O-CD 3.32Å
64	A	48.5	Very low	51.4	Low	70 Å²	70	136.6 Å²	136.6	58%	0.579	74%	0.741	S	S	*	*			trans	-86.1	102.6	166.1	0	0	0	0	0	108.2	E62 G66	E62-A64 PolarHBondContact O-N 2.9Å; A64-G66 PolarHBondContact O-N 2.94Å; A64-G66 VanDerWaalsContact O-N 3.15Å
65	P	51.7	Low	51.8	Low	113 Å²	113	133.2 Å²	133.2	73%	0.734	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	104.9	178	20.5	-6.8	0	0	0	107.7	Y63	Y63-P65 HydrophobicContact CD1-CB 4.26Å; Y63-P65 HydrophobicContact CD1-CG 4.29Å; Y63-P65 HydrophobicContact CE1-CB 4.07Å; Y63-P65 VanDerWaalsContact O-CD 3.28Å; Y63-P65 WeakPolarHBondContact O-CD 3.32Å
66	G	50.2	Low	51.7	Low	73 Å²	73	128.4 Å²	128.4	75%	0.753	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.1	-19.7	173	0	0	0	0	0	115.5	A64	A64-G66 PolarHBondContact O-N 2.94Å; A64-G66 VanDerWaalsContact O-N 3.15Å
67	Y	44.6	Very low	52.3	Low	210 Å²	210	127.5 Å²	127.5	82%	0.824	70%	0.698	S	S	*	*			trans	-106.4	88.9	171.8	-74.7	-86.9	0	0	0	109	P69	Y67-P69 WeakPolarHBondContact O-CD 3.28Å
68	S	48	Very low	52.7	Low	116 Å²	116	133.4 Å²	133.4	81%	0.811	70%	0.702	S	S	*	*			trans	-77.9	102.9	155.8	-68.7	0	0	0	0	105.8	D70	S68-D70 PolarHBondContact O-N 3.24Å
69	P	59.3	Low	53	Low	95 Å²	95	125.8 Å²	125.8	62%	0.617	67%	0.674	S	S	*	*			trans	-57.7	132.5	162.1	28	-31	0	0	0	104.9	Y67 I71	Y67-P69 WeakPolarHBondContact O-CD 3.28Å; P69-I71 WeakPolarHBondContact O-CG1 3.48Å; P69-I71 PolarHBondContact O-N 3.35Å
70	D	59.5	Low	53.4	Low	156 Å²	156	121.5 Å²	121.5	83%	0.834	66%	0.663	S	S	*	*			trans	-49	103.9	164.9	-85.5	-32.3	0	0	0	105.5	S68 L72	S68-D70 PolarHBondContact O-N 3.24Å; D70-L72 PolarHBondContact O-N 3.38Å
71	I	59.2	Low	54.2	Low	148 Å²	148	122 Å²	122	76%	0.759	66%	0.657	S	S	*	*			trans	-71.6	87.1	-179.7	-53.8	177.8	0	0	0	102.6	P69 N73	P69-I71 WeakPolarHBondContact O-CG1 3.48Å; P69-I71 PolarHBondContact O-N 3.35Å; I71-N73 PolarHBondContact O-N 3.01Å
72	L	59.6	Low	54.8	Low	111 Å²	111	120 Å²	120	58%	0.581	64%	0.636	S	S	*	*			trans	-51	101.4	162.5	-75	164.1	0	0	0	104.1	D70 D76	D70-L72 PolarHBondContact O-N 3.38Å; L72-D76 HydrophobicContact CD2-CB 3.87Å
73	N	53.2	Low	55.4	Low	99 Å²	99	114.9 Å²	114.9	53%	0.529	62%	0.618	S	S	.	*			trans	-61.4	149	176.6	-173.9	1.1	0	0	0	105.8	I71 S75 D76	I71-N73 PolarHBondContact O-N 3.01Å; N73-S75 WeakPolarHBondContact CB-OG 3.21Å; N73-S75 PolarHBondContact ND2-OG 3.34Å; N73-S75 PolarHBondContact O-N 3.41Å; N73-D76 PolarHBondContact O-N 3.27Å
74	N	56	Low	56.5	Low	109 Å²	109	109.7 Å²	109.7	58%	0.583	61%	0.605	S	S	*	*	H	α-helix	trans	-54.7	-18	178.2	-77.6	-39	0	0	0	112.3	R78	N74-R78 VanDerWaalsContact O-CB 3.28Å; N74-R78 WeakPolarHBondContact O-CB 3.5Å; N74-R78 WeakPolarHBondContact O-CG 3.31Å; N74-R78 PolarHBondContact O-N 3.18Å
75	S	53.6	Low	57.5	Low	68 Å²	68	110.6 Å²	110.6	48%	0.476	61%	0.612	S	S	.	*	H	α-helix	trans	-61.4	-34.8	168.7	55.3	0	0	0	0	114.4	N73	N73-S75 WeakPolarHBondContact CB-OG 3.21Å; N73-S75 PolarHBondContact ND2-OG 3.34Å; N73-S75 PolarHBondContact O-N 3.41Å
76	D	53.8	Low	58.6	Low	64 Å²	64	111.2 Å²	111.2	34%	0.342	61%	0.605	S	S	.	*	H	α-helix	trans	-78	-31.4	178.9	-68.7	-30.5	0	0	0	111.9	L72 N73 S79	L72-D76 HydrophobicContact CD2-CB 3.87Å; N73-D76 PolarHBondContact O-N 3.27Å; D76-S79 PolarHBondContact O-OG 3.36Å
77	I	56.4	Low	59.3	Low	121 Å²	121	111.8 Å²	111.8	62%	0.621	60%	0.603	S	S	*	*	H	α-helix	trans	-77.8	-26.6	175.5	-58.4	169.4	0	0	0	111
78	R	54.6	Low	60.6	Low	206 Å²	206	107.1 Å²	107.1	78%	0.777	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	3.3	-179.9	-73.2	179.9	178.4	-140.7	1.3	114.7	N74 K80	N74-R78 VanDerWaalsContact O-CB 3.28Å; N74-R78 WeakPolarHBondContact O-CB 3.5Å; N74-R78 WeakPolarHBondContact O-CG 3.31Å; N74-R78 PolarHBondContact O-N 3.18Å; R78-K80 VanDerWaalsContact C-N 3.31Å; R78-K80 PolarHBondContact O-N 2.71Å
79	S	54.3	Low	61.3	Low	40 Å²	40	105.9 Å²	105.9	28%	0.28	59%	0.585	S	S	.	*			trans	-68.5	95.2	172.5	68.4	0	0	0	0	108.9	D76 L81	D76-S79 PolarHBondContact O-OG 3.36Å; S79-L81 PolarHBondContact O-N 3.26Å
80	K	57.8	Low	61.8	Low	157 Å²	157	104.5 Å²	104.5	68%	0.683	58%	0.578	S	S	*	*			trans	-66.3	101.2	170.9	-168.1	177.7	-178.4	-174	0	106.8	R78 I82	R78-K80 VanDerWaalsContact C-N 3.31Å; R78-K80 PolarHBondContact O-N 2.71Å; K80-I82 HydrophobicContact CD-CD1 4.26Å; K80-I82 HydrophobicContact CD-CG1 4.19Å; K80-I82 HydrophobicContact CG-CG1 3.97Å; K80-I82 PolarHBondContact O-N 2.7Å; K80-I82 VanDerWaalsContact O-N 3.16Å
81	L	63.4	Low	61.9	Low	103 Å²	103	102.1 Å²	102.1	54%	0.539	57%	0.573	S	S	.	*			trans	-69.9	105.3	169.1	-177.4	69.6	0	0	0	106.7	S79 C108 T110	S79-L81 PolarHBondContact O-N 3.26Å; L81-C108 HydrophobicContact CD1-CB 3.86Å; L81-T110 HydrophobicContact CD1-CG2 3.45Å; L81-T110 VanDerWaalsContact CD1-CG2 3.45Å
82	I	65.2	Low	61.9	Low	82 Å²	82	102.2 Å²	102.2	42%	0.421	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	108.5	171.2	-57.4	176.5	0	0	0	106	K80 C108 E109	K80-I82 HydrophobicContact CD-CD1 4.26Å; K80-I82 HydrophobicContact CD-CG1 4.19Å; K80-I82 HydrophobicContact CG-CG1 3.97Å; K80-I82 PolarHBondContact O-N 2.7Å; K80-I82 VanDerWaalsContact O-N 3.16Å; I82-C108 WeakPolarHBondContact O-CA 3.27Å; I82-E109 PolarHBondContact N-O 3.5Å; I82-E109 PolarHBondContact O-N 3.01Å
83	C	67.8	Low	61.7	Low	60 Å²	60	102.7 Å²	102.7	41%	0.405	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	118.6	172.1	-66.2	0	0	0	0	109.1	V106 F107 C108	C83-V106 HydrophobicContact CB-CG1 4.4Å; C83-F107 CarbonylContact C-O 3.59Å; C83-F107 WeakPolarHBondContact CA-O 3.28Å; C83-C108 HydrophobicContact CB-CB 4.21Å; C83-C108 WeakPolarHBondContact CB-SG 3.5Å; C83-C108 WeakPolarHBondContact SG-CB 3.35Å; C83-C108 CovalentContact SG-SG 2.06Å; C83-C108 PolarHBondContact SG-SG 2.94Å
84	N	69.6	Low	61.5	Low	103 Å²	103	101 Å²	101	55%	0.551	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.6	124.1	169.7	-70.6	-21.2	0	0	0	108.3	F107	N84-F107 PolarHBondContact N-O 2.8Å; N84-F107 PolarHBondContact O-N 3.29Å
85	A	69	Low	61.5	Low	89 Å²	89	104.1 Å²	104.1	74%	0.736	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.8	127.3	168	0	0	0	0	0	108.4	G105	A85-G105 WeakPolarHBondContact CA-O 3.06Å
86	Q	75.1	Confident	61.7	Low	125 Å²	125	105.2 Å²	105.2	58%	0.584	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.8	125.2	175.5	-174	174.8	7	0	0	108.3	H88 G105	Q86-H88 PolarHBondContact NE2-CD2 2.86Å; Q86-H88 PolarHBondContact NE2-NE2 2.96Å; Q86-G105 PolarHBondContact N-O 2.7Å; Q86-G105 PolarHBondContact O-N 2.96Å
87	A	65.3	Low	61.5	Low	85 Å²	85	105.1 Å²	105.1	70%	0.702	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.8	124.9	171.2	0	0	0	0	0	108.4	S103	A87-S103 CarbonylContact C-O 3.56Å; A87-S103 WeakPolarHBondContact CA-O 3.42Å
88	H	71.5	Confident	61.6	Low	112 Å²	112	104.1 Å²	104.1	52%	0.519	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	120.9	171.7	-94	-74.8	0	0	0	109	Q86 A102 S103	Q86-H88 PolarHBondContact NE2-CD2 2.86Å; Q86-H88 PolarHBondContact NE2-NE2 2.96Å; H88-A102 CarbonylContact O-C 3.56Å; H88-A102 WeakPolarHBondContact O-CA 3.27Å; H88-S103 PolarHBondContact N-O 3.03Å; H88-S103 PolarHBondContact O-N 3.42Å
89	A	63.9	Low	61.4	Low	90 Å²	90	101.6 Å²	101.6	74%	0.744	63%	0.63	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.8	125.4	164.7	0	0	0	0	0	107.9	N101	A89-N101 WeakPolarHBondContact CA-O 3.29Å
90	S	68.7	Low	61.7	Low	67 Å²	67	104.3 Å²	104.3	47%	0.469	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.6	128.3	168.4	67.5	0	0	0	0	109.5	N101	S90-N101 PolarHBondContact N-O 2.95Å; S90-N101 PolarHBondContact O-N 2.97Å
91	S	61.7	Low	61.6	Low	106 Å²	106	102.1 Å²	102.1	74%	0.741	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.1	116.1	170.2	57.6	0	0	0	0	107.7
92	Q	59.7	Low	61.4	Low	150 Å²	150	101.2 Å²	101.2	70%	0.701	66%	0.658	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.8	119.5	167.7	-76.3	-179.6	-3.6	0	0	107.9	K99	Q92-K99 PolarHBondContact N-O 3.45Å; Q92-K99 VanDerWaalsContact N-O 3.11Å; Q92-K99 PolarHBondContact O-N 3.13Å
93	S	54.5	Low	61.3	Low	121 Å²	121	100.7 Å²	100.7	85%	0.846	66%	0.661	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	103.9	168.7	179.2	0	0	0	0	107.1
94	A	50.3	Low	60.9	Low	63 Å²	63	102.4 Å²	102.4	52%	0.521	68%	0.68	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.2	128.8	172	0	0	0	0	0	108.5	G96 S97	A94-G96 PolarHBondContact O-N 3.21Å; A94-S97 PolarHBondContact O-N 2.86Å
95	D	54.5	Low	60.5	Low	175 Å²	175	99.4 Å²	99.4	94%	0.936	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	26.2	72.6	169	-62.9	-19.6	0	0	0	115.5	S97	D95-S97 PolarHBondContact O-N 3.16Å
96	G	59.2	Low	60.1	Low	90 Å²	90	99.5 Å²	99.5	93%	0.928	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.7	1.4	167.3	0	0	0	0	0	116.6	A94	A94-G96 PolarHBondContact O-N 3.21Å
97	S	49.1	Very low	59.6	Low	63 Å²	63	99.1 Å²	99.1	44%	0.441	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.1	122.5	171.1	89.7	0	0	0	0	112.1	A94 D95	A94-S97 PolarHBondContact O-N 2.86Å; D95-S97 PolarHBondContact O-N 3.16Å
98	A	57.6	Low	59.4	Low	99 Å²	99	96.8 Å²	96.8	82%	0.818	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.4	116	170.6	0	0	0	0	0	108.9
99	K	51.1	Low	58.8	Low	154 Å²	154	97.6 Å²	97.6	67%	0.67	64%	0.643	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.2	119.1	170.1	-69.8	-176	-178.9	177	0	109.1	Q92	Q92-K99 PolarHBondContact N-O 3.45Å; Q92-K99 VanDerWaalsContact N-O 3.11Å; Q92-K99 PolarHBondContact O-N 3.13Å
100	A	60.9	Low	58.7	Low	96 Å²	96	94.2 Å²	94.2	79%	0.793	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.3	127.4	169	0	0	0	0	0	108.2
101	N	54.8	Low	58.3	Low	112 Å²	112	95.8 Å²	95.8	60%	0.599	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.4	130.1	170.3	-163.6	-0.4	0	0	0	108.7	A89 S90	A89-N101 WeakPolarHBondContact CA-O 3.29Å; S90-N101 PolarHBondContact N-O 2.95Å; S90-N101 PolarHBondContact O-N 2.97Å
102	A	59.5	Low	58.1	Low	84 Å²	84	91.9 Å²	91.9	69%	0.694	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.1	121.1	176.7	0	0	0	0	0	108.2	H88	H88-A102 CarbonylContact O-C 3.56Å; H88-A102 WeakPolarHBondContact O-CA 3.27Å
103	S	62.8	Low	57.8	Low	70 Å²	70	91.7 Å²	91.7	49%	0.49	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.6	133.5	171.4	63.8	0	0	0	0	109.7	A87 H88	A87-S103 CarbonylContact C-O 3.56Å; A87-S103 WeakPolarHBondContact CA-O 3.42Å; H88-S103 PolarHBondContact N-O 3.03Å; H88-S103 PolarHBondContact O-N 3.42Å
104	A	60.9	Low	57.9	Low	97 Å²	97	94.8 Å²	94.8	80%	0.802	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.9	129	172.4	0	0	0	0	0	108
105	G	61.1	Low	58	Low	39 Å²	39	93.1 Å²	93.1	40%	0.402	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.1	141.5	177.9	0	0	0	0	0	110.3	A85 Q86	A85-G105 WeakPolarHBondContact CA-O 3.06Å; Q86-G105 PolarHBondContact N-O 2.7Å; Q86-G105 PolarHBondContact O-N 2.96Å
106	V	59.2	Low	58	Low	92 Å²	92	88.8 Å²	88.8	56%	0.558	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.1	167.9	-177.1	0	0	0	0	107.7	C83	C83-V106 HydrophobicContact CB-CG1 4.4Å
107	F	65	Low	57.6	Low	116 Å²	116	89.9 Å²	89.9	51%	0.509	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.8	173.4	-177.1	-100.3	0	0	0	108.4	C83 N84 E109	C83-F107 CarbonylContact C-O 3.59Å; C83-F107 WeakPolarHBondContact CA-O 3.28Å; N84-F107 PolarHBondContact N-O 2.8Å; N84-F107 PolarHBondContact O-N 3.29Å; F107-E109 HydrophobicContact CD1-CB 4.42Å; F107-E109 HydrophobicContact CE1-CB 3.75Å; F107-E109 HydrophobicContact CE1-CG 4.21Å; F107-E109 HydrophobicContact CZ-CB 4.37Å; F107-E109 HydrophobicContact CZ-CG 4.48Å
108	C	61.9	Low	57.7	Low	37 Å²	37	96.5 Å²	96.5	25%	0.25	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.9	173.7	-64.8	0	0	0	0	109	L81 I82 C83	L81-C108 HydrophobicContact CD1-CB 3.86Å; I82-C108 WeakPolarHBondContact O-CA 3.27Å; C83-C108 HydrophobicContact CB-CB 4.21Å; C83-C108 WeakPolarHBondContact CB-SG 3.5Å; C83-C108 WeakPolarHBondContact SG-CB 3.35Å; C83-C108 CovalentContact SG-SG 2.06Å; C83-C108 PolarHBondContact SG-SG 2.94Å
109	E	58.6	Low	57.4	Low	129 Å²	129	94.9 Å²	94.9	60%	0.603	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	128.2	174.2	-159.4	163.3	-170.4	0	0	109.1	I82 F107	I82-E109 PolarHBondContact N-O 3.5Å; I82-E109 PolarHBondContact O-N 3.01Å; F107-E109 HydrophobicContact CD1-CB 4.42Å; F107-E109 HydrophobicContact CE1-CB 3.75Å; F107-E109 HydrophobicContact CE1-CG 4.21Å; F107-E109 HydrophobicContact CZ-CB 4.37Å; F107-E109 HydrophobicContact CZ-CG 4.48Å
110	T	61.6	Low	57.3	Low	18 Å²	18	95.2 Å²	95.2	11%	0.11	52%	0.52	C	S	.	.			trans	-118.7	130.8	177.5	73.9	0	0	0	0	108.7	L81 S112 A115 L119	L81-T110 HydrophobicContact CD1-CG2 3.45Å; L81-T110 VanDerWaalsContact CD1-CG2 3.45Å; T110-S112 PolarHBondContact O-N 2.82Å; T110-S112 PolarHBondContact OG1-O 3.38Å; T110-A115 HydrophobicContact CG2-CB 4.08Å; T110-A115 WeakPolarHBondContact OG1-CB 3.37Å; T110-L119 HydrophobicContact CG2-CD1 3.32Å
111	S	60.8	Low	56.9	Low	101 Å²	101	96.4 Å²	96.4	71%	0.706	52%	0.517	S	S	*	.	S	Bend	trans	-70.5	-5.3	173.2	54.7	0	0	0	0	114
112	S	56.8	Low	56.6	Low	23 Å²	23	95 Å²	95	16%	0.161	52%	0.516	C	S	.	.			trans	-96.2	119.6	178.2	174.7	0	0	0	0	111.4	T110 R114 A115 Q116	T110-S112 PolarHBondContact O-N 2.82Å; T110-S112 PolarHBondContact OG1-O 3.38Å; S112-R114 PolarHBondContact O-N 3.02Å; S112-R114 VanDerWaalsContact O-N 3.15Å; S112-R114 PolarHBondContact OG-N 3.47Å; S112-A115 PolarHBondContact O-N 2.79Å; S112-A115 VanDerWaalsContact O-N 3.12Å; S112-A115 PolarHBondContact OG-N 3.22Å; S112-Q116 PolarHBondContact O-N 3.04Å; S112-Q116 VanDerWaalsContact O-N 3.15Å
113	H	54.8	Low	55.9	Low	146 Å²	146	98.1 Å²	98.1	68%	0.676	51%	0.514	S	S	*	.	H	α-helix	trans	-54.8	-31.4	174.1	-170.9	-80.4	0	0	0	112.1
114	R	54.9	Low	54.7	Low	187 Å²	187	99.2 Å²	99.2	71%	0.706	52%	0.521	S	S	*	.	H	α-helix	trans	-78.3	-32.1	-179.1	-149.1	175.5	-164.1	152.5	2.6	112.9	S112	S112-R114 PolarHBondContact O-N 3.02Å; S112-R114 VanDerWaalsContact O-N 3.15Å; S112-R114 PolarHBondContact OG-N 3.47Å
115	A	52.8	Low	53.7	Low	28 Å²	28	99.3 Å²	99.3	23%	0.231	52%	0.516	C	S	.	.	H	α-helix	trans	-73.8	-29.7	174.1	0	0	0	0	0	111.9	T110 S112 E117 R118 L119	T110-A115 HydrophobicContact CG2-CB 4.08Å; T110-A115 WeakPolarHBondContact OG1-CB 3.37Å; S112-A115 PolarHBondContact O-N 2.79Å; S112-A115 VanDerWaalsContact O-N 3.12Å; S112-A115 PolarHBondContact OG-N 3.22Å; A115-E117 VanDerWaalsContact C-N 3.27Å; A115-E117 PolarHBondContact O-N 3.38Å; A115-R118 PolarHBondContact O-N 2.94Å; A115-L119 PolarHBondContact O-N 3.13Å
116	Q	53.8	Low	52.6	Low	83 Å²	83	102.9 Å²	102.9	39%	0.388	54%	0.535	S	S	.	.	H	α-helix	trans	-63.7	-30.3	175.2	-150.8	-172.7	46.8	0	0	112.9	S112 R120	S112-Q116 PolarHBondContact O-N 3.04Å; S112-Q116 VanDerWaalsContact O-N 3.15Å; Q116-R120 VanDerWaalsContact CD-NH1 3.31Å; Q116-R120 WeakPolarHBondContact O-CG 3.17Å; Q116-R120 PolarHBondContact O-N 2.86Å
117	E	51.3	Low	51.8	Low	114 Å²	114	102.8 Å²	102.8	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-73.3	-41.8	174	-75.9	-178.7	159.5	0	0	112.2	A115 R120 V121	A115-E117 VanDerWaalsContact C-N 3.27Å; A115-E117 PolarHBondContact O-N 3.38Å; E117-R120 PolarHBondContact O-N 3.02Å; E117-V121 WeakPolarHBondContact O-CG2 3.45Å; E117-V121 PolarHBondContact O-N 3.11Å
118	R	50.7	Low	51	Low	202 Å²	202	99.8 Å²	99.8	76%	0.762	54%	0.537	S	S	*	.	H	α-helix	trans	-66.7	-38.7	176.8	-76.5	-173.7	169.8	140.8	-2.9	112.7	A115 R120 V121 S122	A115-R118 PolarHBondContact O-N 2.94Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.93Å; R118-V121 PolarHBondContact O-N 3.1Å; R118-S122 PolarHBondContact O-N 2.92Å; R118-S122 PolarHBondContact O-OG 3.33Å
119	L	51.5	Low	50.5	Low	65 Å²	65	104.8 Å²	104.8	34%	0.34	56%	0.561	S	S	.	*	H	α-helix	trans	-67.5	-31.2	176.1	-86.7	157.5	0	0	0	113.3	T110 A115 V121 S122 K123	T110-L119 HydrophobicContact CG2-CD1 3.32Å; A115-L119 PolarHBondContact O-N 3.13Å; L119-V121 VanDerWaalsContact C-N 3.32Å; L119-S122 WeakPolarHBondContact CA-OG 3.44Å; L119-S122 PolarHBondContact O-OG 2.84Å; L119-K123 PolarHBondContact O-N 3.32Å
120	R	50.8	Low	50.1	Low	161 Å²	161	104 Å²	104	61%	0.608	56%	0.561	S	S	*	*	H	α-helix	trans	-70.7	-27.2	173.4	-79.5	-177.2	-176.4	112.3	1.8	112.8	Q116 E117 R118	Q116-R120 VanDerWaalsContact CD-NH1 3.31Å; Q116-R120 WeakPolarHBondContact O-CG 3.17Å; Q116-R120 PolarHBondContact O-N 2.86Å; E117-R120 PolarHBondContact O-N 3.02Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.93Å
121	V	51.5	Low	49.4	Very low	120 Å²	120	108.1 Å²	108.1	73%	0.727	58%	0.579	S	S	*	*	H	α-helix	trans	-78.6	-27.8	176.8	175.9	0	0	0	0	111.8	E117 R118 L119	E117-V121 WeakPolarHBondContact O-CG2 3.45Å; E117-V121 PolarHBondContact O-N 3.11Å; R118-V121 PolarHBondContact O-N 3.1Å; L119-V121 VanDerWaalsContact C-N 3.32Å
122	S	48.6	Very low	48.7	Very low	82 Å²	82	109.3 Å²	109.3	57%	0.573	57%	0.573	S	S	*	*	H	α-helix	trans	-89.7	-7.4	177.6	49	0	0	0	0	114.9	R118 L119 S124	R118-S122 PolarHBondContact O-N 2.92Å; R118-S122 PolarHBondContact O-OG 3.33Å; L119-S122 WeakPolarHBondContact CA-OG 3.44Å; L119-S122 PolarHBondContact O-OG 2.84Å; S122-S124 VanDerWaalsContact C-N 3.29Å; S122-S124 PolarHBondContact O-N 2.83Å
123	K	43.9	Very low	48.4	Very low	151 Å²	151	112 Å²	112	66%	0.657	59%	0.588	S	S	*	*			trans	-92.8	60.2	178.6	-149.8	171.3	-170.5	174	0	110.2	L119	L119-K123 PolarHBondContact O-N 3.32Å
124	S	37.9	Very low	48.4	Very low	92 Å²	92	107.9 Å²	107.9	64%	0.643	58%	0.576	S	S	*	*			trans	-121.6	60.3	175.7	68.2	0	0	0	0	110.2	S122	S122-S124 VanDerWaalsContact C-N 3.29Å; S122-S124 PolarHBondContact O-N 2.83Å
125	S	40.2	Very low	48.5	Very low	100 Å²	100	103.1 Å²	103.1	70%	0.699	56%	0.564	S	S	*	*	S	Bend	trans	-169.8	129.5	165.4	57.1	0	0	0	0	108
126	S	39	Very low	48.7	Very low	114 Å²	114	105.8 Å²	105.8	80%	0.797	57%	0.574	S	S	*	*	S	Bend	trans	84	63.5	170.9	90.8	0	0	0	0	118.2
127	T	42.4	Very low	48.9	Very low	89 Å²	89	107.4 Å²	107.4	55%	0.546	58%	0.582	S	S	.	*			trans	-160.1	83.6	134.5	-36.5	0	0	0	0	110	D129	T127-D129 PolarHBondContact O-N 3.42Å
128	G	47.7	Very low	49.2	Very low	54 Å²	54	110.5 Å²	110.5	56%	0.557	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-4.6	-171.5	0	0	0	0	0	117.4
129	D	51	Low	49.6	Very low	142 Å²	142	105.1 Å²	105.1	76%	0.759	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-14.5	-175.7	-66.3	-36.5	0	0	0	114.5	T127	T127-D129 PolarHBondContact O-N 3.42Å
130	N	49.7	Very low	50.1	Low	112 Å²	112	106.7 Å²	106.7	60%	0.599	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-12.1	180	-71.9	-46.8	0	0	0	113.5	S134	N130-S134 PolarHBondContact O-N 3.27Å
131	E	47.1	Very low	50.5	Low	105 Å²	105	106.9 Å²	106.9	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-70.8	-33.2	176.6	-73.4	-172	138.7	0	0	111.8	V133 S134 I135	E131-V133 PolarHBondContact O-N 3.05Å; E131-S134 PolarHBondContact O-N 2.75Å; E131-I135 HydrophobicContact CB-CD1 4.28Å; E131-I135 WeakPolarHBondContact O-CB 3.2Å; E131-I135 WeakPolarHBondContact O-CD1 3.5Å; E131-I135 WeakPolarHBondContact O-CG1 3.23Å; E131-I135 PolarHBondContact O-N 2.85Å
132	H	46.3	Very low	50.9	Low	125 Å²	125	105.8 Å²	105.8	58%	0.579	57%	0.572	S	S	*	*	H	α-helix	trans	-59.6	-46.7	177.5	-77.7	-78.4	0	0	0	112.3	S134 I135 D136	H132-S134 VanDerWaalsContact C-N 3.33Å; H132-S134 PolarHBondContact O-N 3.4Å; H132-I135 PolarHBondContact O-N 3.15Å; H132-D136 WeakPolarHBondContact O-CB 3.36Å; H132-D136 PolarHBondContact O-N 3.06Å
133	V	51	Low	51.5	Low	79 Å²	79	108.2 Å²	108.2	48%	0.479	57%	0.574	S	S	.	*	H	α-helix	trans	-67.6	-34.3	179.1	-176	0	0	0	0	111.8	E131 H137	E131-V133 PolarHBondContact O-N 3.05Å; V133-H137 PolarHBondContact O-CD2 2.99Å; V133-H137 PolarHBondContact O-N 3.49Å
134	S	54.2	Low	52.3	Low	61 Å²	61	108.7 Å²	108.7	43%	0.427	58%	0.576	S	S	.	*	H	α-helix	trans	-71	-39.4	177.1	124.1	0	0	0	0	112.1	N130 E131 H132 R138	N130-S134 PolarHBondContact O-N 3.27Å; E131-S134 PolarHBondContact O-N 2.75Å; H132-S134 VanDerWaalsContact C-N 3.33Å; H132-S134 PolarHBondContact O-N 3.4Å; S134-R138 WeakPolarHBondContact O-CB 3.27Å; S134-R138 VanDerWaalsContact O-CG 3.3Å; S134-R138 WeakPolarHBondContact O-CG 3.4Å; S134-R138 PolarHBondContact O-N 3.04Å; S134-R138 VanDerWaalsContact O-N 3.12Å
135	I	57.7	Low	53.3	Low	87 Å²	87	112.2 Å²	112.2	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-69.6	-40.7	176.9	-67.5	164.1	0	0	0	109.6	E131 H132 R138 L139	E131-I135 HydrophobicContact CB-CD1 4.28Å; E131-I135 WeakPolarHBondContact O-CB 3.2Å; E131-I135 WeakPolarHBondContact O-CD1 3.5Å; E131-I135 WeakPolarHBondContact O-CG1 3.23Å; E131-I135 PolarHBondContact O-N 2.85Å; H132-I135 PolarHBondContact O-N 3.15Å; I135-R138 CarbonylContact O-C 3.59Å; I135-R138 WeakPolarHBondContact O-CB 3.21Å; I135-R138 PolarHBondContact O-N 3.36Å; I135-L139 HydrophobicContact CG2-CD1 3.76Å; I135-L139 HydrophobicContact CG2-CG 4.39Å; I135-L139 WeakPolarHBondContact O-CB 3.33Å; I135-L139 WeakPolarHBondContact O-CG 3.37Å; I135-L139 PolarHBondContact O-N 3.34Å
136	D	56.4	Low	54.3	Low	83 Å²	83	111.6 Å²	111.6	44%	0.444	56%	0.563	S	S	.	*	H	α-helix	trans	-63.7	-46.1	176.6	-71.8	-20.3	0	0	0	111.6	H132 R138 L139 I140	H132-D136 WeakPolarHBondContact O-CB 3.36Å; H132-D136 PolarHBondContact O-N 3.06Å; D136-R138 PolarHBondContact O-N 2.89Å; D136-L139 PolarHBondContact O-N 3.33Å; D136-I140 WeakPolarHBondContact O-CB 3.45Å; D136-I140 WeakPolarHBondContact O-CD1 3.45Å; D136-I140 WeakPolarHBondContact O-CG1 3.26Å; D136-I140 PolarHBondContact O-N 3.08Å
137	H	58.3	Low	55.3	Low	118 Å²	118	109.3 Å²	109.3	55%	0.546	55%	0.547	S	S	.	.	H	α-helix	trans	-63.6	-30.3	174.9	-77.2	-45.5	0	0	0	113.2	V133 R141	V133-H137 PolarHBondContact O-CD2 2.99Å; V133-H137 PolarHBondContact O-N 3.49Å; H137-R141 VanDerWaalsContact O-CB 3.31Å; H137-R141 WeakPolarHBondContact O-CB 3.18Å; H137-R141 PolarHBondContact O-N 3.3Å
138	R	57.4	Low	56.2	Low	178 Å²	178	110.4 Å²	110.4	67%	0.672	55%	0.546	S	S	*	.	H	α-helix	trans	-74.6	-40.8	174	-78.4	178.1	151.6	-159.3	-6.1	111.9	S134 I135 D136 R141 L142	S134-R138 WeakPolarHBondContact O-CB 3.27Å; S134-R138 VanDerWaalsContact O-CG 3.3Å; S134-R138 WeakPolarHBondContact O-CG 3.4Å; S134-R138 PolarHBondContact O-N 3.04Å; S134-R138 VanDerWaalsContact O-N 3.12Å; I135-R138 CarbonylContact O-C 3.59Å; I135-R138 WeakPolarHBondContact O-CB 3.21Å; I135-R138 PolarHBondContact O-N 3.36Å; D136-R138 PolarHBondContact O-N 2.89Å; R138-R141 PolarHBondContact O-N 2.8Å; R138-L142 WeakPolarHBondContact O-CB 3.34Å; R138-L142 VanDerWaalsContact O-CG 3.28Å; R138-L142 WeakPolarHBondContact O-CG 3.46Å; R138-L142 PolarHBondContact O-N 3.29Å
139	L	60.4	Low	56.8	Low	89 Å²	89	113 Å²	113	47%	0.466	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-49	174.2	-85.7	162.8	0	0	0	111.1	I135 D136 R141 L142 E143	I135-L139 HydrophobicContact CG2-CD1 3.76Å; I135-L139 HydrophobicContact CG2-CG 4.39Å; I135-L139 WeakPolarHBondContact O-CB 3.33Å; I135-L139 WeakPolarHBondContact O-CG 3.37Å; I135-L139 PolarHBondContact O-N 3.34Å; D136-L139 PolarHBondContact O-N 3.33Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 2.78Å; L139-L142 CarbonylContact O-C 3.56Å; L139-L142 PolarHBondContact O-N 3.33Å; L139-E143 PolarHBondContact O-N 3.47Å
140	I	60.6	Low	57.4	Low	98 Å²	98	112.1 Å²	112.1	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-59.9	-38.5	177.2	-65.9	161.2	0	0	0	110.8	D136 K144	D136-I140 WeakPolarHBondContact O-CB 3.45Å; D136-I140 WeakPolarHBondContact O-CD1 3.45Å; D136-I140 WeakPolarHBondContact O-CG1 3.26Å; D136-I140 PolarHBondContact O-N 3.08Å; I140-K144 VanDerWaalsContact O-CB 3.31Å; I140-K144 WeakPolarHBondContact O-CB 3.28Å; I140-K144 PolarHBondContact O-N 3.32Å; I140-K144 VanDerWaalsContact O-N 3.08Å
141	R	59.7	Low	58.1	Low	166 Å²	166	113.4 Å²	113.4	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-72.1	-33.6	176.6	-169.3	179	-65.4	168.1	0.8	112.4	H137 R138 L139 R145	H137-R141 VanDerWaalsContact O-CB 3.31Å; H137-R141 WeakPolarHBondContact O-CB 3.18Å; H137-R141 PolarHBondContact O-N 3.3Å; R138-R141 PolarHBondContact O-N 2.8Å; L139-R141 VanDerWaalsContact C-N 3.26Å; L139-R141 PolarHBondContact O-N 2.78Å; R141-R145 WeakPolarHBondContact O-CG 3.38Å; R141-R145 PolarHBondContact O-N 2.98Å
142	L	60.4	Low	58.8	Low	97 Å²	97	113.3 Å²	113.3	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-72.1	-46.4	175.5	-77.8	164.9	0	0	0	111.3	R138 L139 K144 R145 I146	R138-L142 WeakPolarHBondContact O-CB 3.34Å; R138-L142 VanDerWaalsContact O-CG 3.28Å; R138-L142 WeakPolarHBondContact O-CG 3.46Å; R138-L142 PolarHBondContact O-N 3.29Å; L139-L142 CarbonylContact O-C 3.56Å; L139-L142 PolarHBondContact O-N 3.33Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 2.83Å; L142-R145 CarbonylContact O-C 3.56Å; L142-R145 WeakPolarHBondContact O-CA 3.33Å; L142-R145 WeakPolarHBondContact O-CB 3.29Å; L142-R145 PolarHBondContact O-N 3.15Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.42Å; L142-I146 PolarHBondContact O-N 3.42Å
143	E	61.5	Low	59.7	Low	132 Å²	132	112.6 Å²	112.6	62%	0.617	54%	0.535	S	S	*	.	H	α-helix	trans	-56.5	-41.4	173.1	-86.6	-172.5	135.1	0	0	111.9	L139 R145 I146 S147	L139-E143 PolarHBondContact O-N 3.47Å; E143-R145 PolarHBondContact O-N 3.12Å; E143-I146 PolarHBondContact O-N 3.44Å; E143-S147 WeakPolarHBondContact O-CB 3.5Å; E143-S147 PolarHBondContact O-N 3.31Å; E143-S147 PolarHBondContact O-OG 3.21Å
144	K	60.7	Low	60.3	Low	161 Å²	161	111.8 Å²	111.8	70%	0.7	54%	0.537	S	S	*	.	H	α-helix	trans	-65.8	-25.8	176.9	-161.7	170.9	-174.7	175.6	0	112.9	I140 L142 S147	I140-K144 VanDerWaalsContact O-CB 3.31Å; I140-K144 WeakPolarHBondContact O-CB 3.28Å; I140-K144 PolarHBondContact O-N 3.32Å; I140-K144 VanDerWaalsContact O-N 3.08Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 2.83Å; K144-S147 PolarHBondContact O-OG 3.25Å
145	R	57.3	Low	60.9	Low	167 Å²	167	114.1 Å²	114.1	63%	0.63	54%	0.544	S	S	*	.	H	α-helix	trans	-85	-38.2	174.2	-72.8	178.6	178.5	-170	-1.3	112.3	R141 L142 E143 H148 L149	R141-R145 WeakPolarHBondContact O-CG 3.38Å; R141-R145 PolarHBondContact O-N 2.98Å; L142-R145 CarbonylContact O-C 3.56Å; L142-R145 WeakPolarHBondContact O-CA 3.33Å; L142-R145 WeakPolarHBondContact O-CB 3.29Å; L142-R145 PolarHBondContact O-N 3.15Å; E143-R145 PolarHBondContact O-N 3.12Å; R145-H148 PolarHBondContact O-N 3.21Å; R145-L149 WeakPolarHBondContact O-CG 3.28Å; R145-L149 PolarHBondContact O-N 3.21Å; R145-L149 VanDerWaalsContact O-N 3.1Å
146	I	61.6	Low	61.4	Low	86 Å²	86	117.1 Å²	117.1	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-65.5	-45.7	178.5	-67.8	161.9	0	0	0	110.1	L142 E143 H148 L149 E150	L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.42Å; L142-I146 PolarHBondContact O-N 3.42Å; E143-I146 PolarHBondContact O-N 3.44Å; I146-H148 VanDerWaalsContact C-N 3.32Å; I146-H148 PolarHBondContact O-N 3.15Å; I146-L149 PolarHBondContact O-N 3.27Å; I146-L149 VanDerWaalsContact O-N 3.11Å; I146-E150 HydrophobicContact CG2-CG 4.26Å; I146-E150 WeakPolarHBondContact O-CG 3.28Å; I146-E150 PolarHBondContact O-N 3.21Å
147	S	61.2	Low	62.1	Low	66 Å²	66	118.9 Å²	118.9	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-61.2	-36.4	176.9	51.6	0	0	0	0	113.5	E143 K144 F151	E143-S147 WeakPolarHBondContact O-CB 3.5Å; E143-S147 PolarHBondContact O-N 3.31Å; E143-S147 PolarHBondContact O-OG 3.21Å; K144-S147 PolarHBondContact O-OG 3.25Å; S147-F151 WeakPolarHBondContact O-CB 3.2Å; S147-F151 PolarHBondContact O-N 2.76Å
148	H	60.4	Low	62.8	Low	113 Å²	113	114.7 Å²	114.7	52%	0.523	55%	0.55	S	S	.	*	H	α-helix	trans	-69.9	-35.7	175.1	-168.8	-85.9	0	0	0	112.3	R145 I146 Q152	R145-H148 PolarHBondContact O-N 3.21Å; I146-H148 VanDerWaalsContact C-N 3.32Å; I146-H148 PolarHBondContact O-N 3.15Å; H148-Q152 WeakPolarHBondContact O-CG 3.42Å; H148-Q152 PolarHBondContact O-N 2.9Å
149	L	60.7	Low	63.8	Low	108 Å²	108	108.3 Å²	108.3	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-72.9	-39.8	176.5	-74.4	167.7	0	0	0	112.2	R145 I146 Q152 Q153	R145-L149 WeakPolarHBondContact O-CG 3.28Å; R145-L149 PolarHBondContact O-N 3.21Å; R145-L149 VanDerWaalsContact O-N 3.1Å; I146-L149 PolarHBondContact O-N 3.27Å; I146-L149 VanDerWaalsContact O-N 3.11Å; L149-Q152 PolarHBondContact O-N 3.47Å; L149-Q153 WeakPolarHBondContact O-CB 3.48Å; L149-Q153 PolarHBondContact O-N 3.12Å
150	E	63.5	Low	64.7	Low	123 Å²	123	109.2 Å²	109.2	58%	0.575	54%	0.544	S	S	*	.	H	α-helix	trans	-66.4	-39	176	-73.8	-174.7	165.8	0	0	111.8	I146 Q153 A154	I146-E150 HydrophobicContact CG2-CG 4.26Å; I146-E150 WeakPolarHBondContact O-CG 3.28Å; I146-E150 PolarHBondContact O-N 3.21Å; E150-Q153 PolarHBondContact O-N 3.29Å; E150-A154 VanDerWaalsContact O-CB 3.28Å; E150-A154 WeakPolarHBondContact O-CB 3.39Å; E150-A154 PolarHBondContact O-N 3.17Å
151	F	63.5	Low	65.8	Low	140 Å²	140	108.6 Å²	108.6	61%	0.614	55%	0.545	S	S	*	.	H	α-helix	trans	-63.3	-42.7	174.8	-173.2	-101.4	0	0	0	111.8	S147 Q153 A154 L155	S147-F151 WeakPolarHBondContact O-CB 3.2Å; S147-F151 PolarHBondContact O-N 2.76Å; F151-Q153 PolarHBondContact O-N 3.28Å; F151-A154 PolarHBondContact O-N 3.36Å; F151-L155 HydrophobicContact CE1-CD1 3.75Å; F151-L155 HydrophobicContact CZ-CD1 3.89Å; F151-L155 WeakPolarHBondContact O-CB 3.48Å; F151-L155 PolarHBondContact O-N 3.19Å
152	Q	62.3	Low	66.9	Low	103 Å²	103	105.4 Å²	105.4	48%	0.481	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-38.7	175.4	-76	-172.6	-26.1	0	0	112.3	H148 L149 M156	H148-Q152 WeakPolarHBondContact O-CG 3.42Å; H148-Q152 PolarHBondContact O-N 2.9Å; L149-Q152 PolarHBondContact O-N 3.47Å; Q152-M156 WeakPolarHBondContact O-CB 3.43Å; Q152-M156 VanDerWaalsContact O-CG 3.23Å; Q152-M156 WeakPolarHBondContact O-CG 3.38Å; Q152-M156 PolarHBondContact O-N 3.28Å
153	Q	64.5	Low	68.1	Low	109 Å²	109	107.4 Å²	107.4	51%	0.509	55%	0.546	S	S	.	.	H	α-helix	trans	-71.9	-37.7	178.8	-156.5	-175.2	22.5	0	0	112.1	L149 E150 F151 K157	L149-Q153 WeakPolarHBondContact O-CB 3.48Å; L149-Q153 PolarHBondContact O-N 3.12Å; E150-Q153 PolarHBondContact O-N 3.29Å; F151-Q153 PolarHBondContact O-N 3.28Å; Q153-K157 VanDerWaalsContact CD-NZ 3.34Å; Q153-K157 HydrophobicContact CG-CD 4.11Å; Q153-K157 HydrophobicContact CG-CG 4.47Å; Q153-K157 WeakPolarHBondContact O-CB 3.48Å; Q153-K157 WeakPolarHBondContact O-CG 3.5Å; Q153-K157 PolarHBondContact O-N 2.81Å
154	A	63.3	Low	69.3	Low	62 Å²	62	105 Å²	105	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-38.8	175.9	0	0	0	0	0	111.7	E150 F151 G158	E150-A154 VanDerWaalsContact O-CB 3.28Å; E150-A154 WeakPolarHBondContact O-CB 3.39Å; E150-A154 PolarHBondContact O-N 3.17Å; F151-A154 PolarHBondContact O-N 3.36Å; A154-G158 PolarHBondContact O-N 3.23Å
155	L	66.8	Low	70.6	Confident	110 Å²	110	102.7 Å²	102.7	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-72	-40.3	178.8	-148.9	151.3	0	0	0	111.5	F151 G159	F151-L155 HydrophobicContact CE1-CD1 3.75Å; F151-L155 HydrophobicContact CZ-CD1 3.89Å; F151-L155 WeakPolarHBondContact O-CB 3.48Å; F151-L155 PolarHBondContact O-N 3.19Å; L155-G159 PolarHBondContact O-N 2.96Å
156	M	68.1	Low	72.2	Confident	151 Å²	151	101.4 Å²	101.4	74%	0.744	53%	0.527	S	S	*	.	H	α-helix	trans	-66.8	-42.3	173.5	-72.4	-77.9	-92.4	0	0	112.1	Q152 L160	Q152-M156 WeakPolarHBondContact O-CB 3.43Å; Q152-M156 VanDerWaalsContact O-CG 3.23Å; Q152-M156 WeakPolarHBondContact O-CG 3.38Å; Q152-M156 PolarHBondContact O-N 3.28Å; M156-L160 VanDerWaalsContact O-CB 3.27Å; M156-L160 WeakPolarHBondContact O-CB 3.35Å; M156-L160 PolarHBondContact O-N 3.25Å
157	K	71.5	Confident	73.5	Confident	120 Å²	120	105.4 Å²	105.4	52%	0.522	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-45.8	176.1	-75.7	173.6	177.3	170.4	0	111.4	Q153 L160 T161	Q153-K157 VanDerWaalsContact CD-NZ 3.34Å; Q153-K157 HydrophobicContact CG-CD 4.11Å; Q153-K157 HydrophobicContact CG-CG 4.47Å; Q153-K157 WeakPolarHBondContact O-CB 3.48Å; Q153-K157 WeakPolarHBondContact O-CG 3.5Å; Q153-K157 PolarHBondContact O-N 2.81Å; K157-L160 PolarHBondContact O-N 3.46Å; K157-T161 VanDerWaalsContact O-CG2 3.29Å; K157-T161 WeakPolarHBondContact O-CG2 3.43Å; K157-T161 PolarHBondContact O-N 3.18Å; K157-T161 PolarHBondContact O-OG1 2.85Å
158	G	72.9	Confident	74.9	Confident	30 Å²	30	106.8 Å²	106.8	31%	0.309	54%	0.538	S	S	.	.	H	α-helix	trans	-66.1	-41.2	178.7	0	0	0	0	0	113	A154 T161 V162	A154-G158 PolarHBondContact O-N 3.23Å; G158-T161 WeakPolarHBondContact CA-OG1 3.38Å; G158-T161 PolarHBondContact O-N 3.22Å; G158-T161 PolarHBondContact O-OG1 3.32Å; G158-V162 WeakPolarHBondContact O-CB 3.31Å; G158-V162 VanDerWaalsContact O-CG2 3.26Å; G158-V162 WeakPolarHBondContact O-CG2 3.39Å; G158-V162 PolarHBondContact O-N 3.39Å
159	G	79	Confident	76.4	Confident	43 Å²	43	106.1 Å²	106.1	44%	0.443	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-42.5	174.8	0	0	0	0	0	112.2	L155 Y163	L155-G159 PolarHBondContact O-N 2.96Å; G159-Y163 VanDerWaalsContact O-CB 3.27Å; G159-Y163 WeakPolarHBondContact O-CB 3.31Å; G159-Y163 PolarHBondContact O-N 3.46Å
160	L	80	Confident	77.8	Confident	109 Å²	109	108.5 Å²	108.5	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-64.1	-44.3	177.3	-167	85.4	0	0	0	111.6	M156 K157 Y163 I164	M156-L160 VanDerWaalsContact O-CB 3.27Å; M156-L160 WeakPolarHBondContact O-CB 3.35Å; M156-L160 PolarHBondContact O-N 3.25Å; K157-L160 PolarHBondContact O-N 3.46Å; L160-Y163 PolarHBondContact O-N 2.85Å; L160-I164 HydrophobicContact CD2-CD1 4.13Å; L160-I164 HydrophobicContact CG-CD1 3.91Å; L160-I164 WeakPolarHBondContact O-CB 3.39Å; L160-I164 WeakPolarHBondContact O-CD1 3.36Å; L160-I164 WeakPolarHBondContact O-CG1 3.15Å; L160-I164 PolarHBondContact O-N 3.24Å
161	T	82.8	Confident	79.1	Confident	85 Å²	85	110.9 Å²	110.9	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-66.2	-42.9	-179.7	54.9	0	0	0	0	111.9	K157 G158 Y163 I164 L165	K157-T161 VanDerWaalsContact O-CG2 3.29Å; K157-T161 WeakPolarHBondContact O-CG2 3.43Å; K157-T161 PolarHBondContact O-N 3.18Å; K157-T161 PolarHBondContact O-OG1 2.85Å; G158-T161 WeakPolarHBondContact CA-OG1 3.38Å; G158-T161 PolarHBondContact O-N 3.22Å; G158-T161 PolarHBondContact O-OG1 3.32Å; T161-Y163 VanDerWaalsContact C-N 3.35Å; T161-I164 PolarHBondContact O-N 3.36Å; T161-L165 WeakPolarHBondContact O-CB 3.3Å; T161-L165 PolarHBondContact O-N 3.15Å
162	V	82.3	Confident	80.4	Confident	98 Å²	98	108 Å²	108	59%	0.594	54%	0.537	S	S	*	.	H	α-helix	trans	-64	-40.6	175.4	174.8	0	0	0	0	111	G158 L165 Y166	G158-V162 WeakPolarHBondContact O-CB 3.31Å; G158-V162 VanDerWaalsContact O-CG2 3.26Å; G158-V162 WeakPolarHBondContact O-CG2 3.39Å; G158-V162 PolarHBondContact O-N 3.39Å; V162-L165 PolarHBondContact O-N 2.06Å; V162-Y166 WeakPolarHBondContact O-CB 3.36Å; V162-Y166 PolarHBondContact O-N 3.2Å
163	Y	86.1	Confident	81.6	Confident	140 Å²	140	109 Å²	109	55%	0.549	54%	0.544	S	S	.	.	H	α-helix	trans	-63.3	-44	176.2	179.2	-98.5	0	0	0	112.4	G159 L160 T161 Y166 R167	G159-Y163 VanDerWaalsContact O-CB 3.27Å; G159-Y163 WeakPolarHBondContact O-CB 3.31Å; G159-Y163 PolarHBondContact O-N 3.46Å; L160-Y163 PolarHBondContact O-N 2.85Å; T161-Y163 VanDerWaalsContact C-N 3.35Å; Y163-Y166 PolarHBondContact O-N 3.03Å; Y163-R167 WeakPolarHBondContact O-CB 3.12Å; Y163-R167 PolarHBondContact O-N 3.43Å
164	I	87.1	Confident	82.5	Confident	81 Å²	81	112.2 Å²	112.2	42%	0.415	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-46.6	176.4	-68.3	164.1	0	0	0	110.2	L160 T161 Y166 R167 I168	L160-I164 HydrophobicContact CD2-CD1 4.13Å; L160-I164 HydrophobicContact CG-CD1 3.91Å; L160-I164 WeakPolarHBondContact O-CB 3.39Å; L160-I164 WeakPolarHBondContact O-CD1 3.36Å; L160-I164 WeakPolarHBondContact O-CG1 3.15Å; L160-I164 PolarHBondContact O-N 3.24Å; T161-I164 PolarHBondContact O-N 3.36Å; I164-Y166 PolarHBondContact O-N 2.91Å; I164-R167 PolarHBondContact O-N 3.35Å; I164-I168 HydrophobicContact CG2-CD1 3.8Å; I164-I168 HydrophobicContact CG2-CG1 4.47Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.36Å; I164-I168 PolarHBondContact O-N 2.88Å
165	L	88.6	Confident	83.3	Confident	113 Å²	113	114.5 Å²	114.5	59%	0.592	56%	0.56	S	S	*	*	H	α-helix	trans	-60.5	-45.8	178.6	-163.6	93.1	0	0	0	111.6	T161 V162 R167 I168 L169	T161-L165 WeakPolarHBondContact O-CB 3.3Å; T161-L165 PolarHBondContact O-N 3.15Å; V162-L165 PolarHBondContact O-N 2.06Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.05Å; L165-I168 PolarHBondContact O-N 2.82Å; L165-L169 PolarHBondContact O-N 3.45Å
166	Y	90.1	Very high	83.5	Confident	139 Å²	139	116.4 Å²	116.4	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-61	-40.3	176.1	176.1	-99.5	0	0	0	111.8	V162 Y163 I164 L169 R170	V162-Y166 WeakPolarHBondContact O-CB 3.36Å; V162-Y166 PolarHBondContact O-N 3.2Å; Y163-Y166 PolarHBondContact O-N 3.03Å; I164-Y166 PolarHBondContact O-N 2.91Å; Y166-L169 PolarHBondContact O-N 3.16Å; Y166-R170 VanDerWaalsContact O-CB 3.28Å; Y166-R170 WeakPolarHBondContact O-CB 3.37Å; Y166-R170 PolarHBondContact O-N 2.86Å
167	R	89.6	Confident	84.2	Confident	170 Å²	170	114.7 Å²	114.7	64%	0.642	57%	0.574	S	S	*	*	H	α-helix	trans	-65.5	-39.9	177.7	-159.1	-173.5	-168.7	-174.5	5.5	111.7	Y163 I164 L165 W171	Y163-R167 WeakPolarHBondContact O-CB 3.12Å; Y163-R167 PolarHBondContact O-N 3.43Å; I164-R167 PolarHBondContact O-N 3.35Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.05Å; R167-W171 WeakPolarHBondContact O-CB 3.35Å; R167-W171 PolarHBondContact O-N 3.02Å
168	I	90.9	Very high	84.9	Confident	95 Å²	95	114.4 Å²	114.4	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-65.1	-49.4	175.2	-65.5	164.6	0	0	0	110.1	I164 L165 R170 W171 V172	I164-I168 HydrophobicContact CG2-CD1 3.8Å; I164-I168 HydrophobicContact CG2-CG1 4.47Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.36Å; I164-I168 PolarHBondContact O-N 2.88Å; L165-I168 PolarHBondContact O-N 2.82Å; I168-R170 VanDerWaalsContact C-N 3.32Å; I168-R170 PolarHBondContact O-N 2.86Å; I168-W171 WeakPolarHBondContact O-CB 3.11Å; I168-W171 PolarHBondContact O-N 2.84Å; I168-W171 VanDerWaalsContact O-N 3.12Å; I168-V172 HydrophobicContact CG2-CG2 4.45Å; I168-V172 WeakPolarHBondContact O-CG2 3.5Å; I168-V172 PolarHBondContact O-N 2.87Å
169	L	90.8	Very high	85.6	Confident	100 Å²	100	119.1 Å²	119.1	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-57.1	-45.8	176.9	-113.3	84.1	0	0	0	111.8	L165 Y166 W171 V172 I173	L165-L169 PolarHBondContact O-N 3.45Å; Y166-L169 PolarHBondContact O-N 3.16Å; L169-W171 VanDerWaalsContact C-N 3.29Å; L169-W171 PolarHBondContact O-N 2.85Å; L169-V172 PolarHBondContact O-N 3.11Å; L169-I173 WeakPolarHBondContact O-CG1 3.15Å; L169-I173 PolarHBondContact O-N 3.22Å
170	R	90	Very high	85.9	Confident	158 Å²	158	123.5 Å²	123.5	60%	0.596	60%	0.601	S	S	*	*	H	α-helix	trans	-64.2	-34.5	178.7	-171.9	175.5	-175.5	-171.8	2.9	112.2	Y166 I168 K174	Y166-R170 VanDerWaalsContact O-CB 3.28Å; Y166-R170 WeakPolarHBondContact O-CB 3.37Å; Y166-R170 PolarHBondContact O-N 2.86Å; I168-R170 VanDerWaalsContact C-N 3.32Å; I168-R170 PolarHBondContact O-N 2.86Å; R170-K174 VanDerWaalsContact O-CB 3.32Å; R170-K174 WeakPolarHBondContact O-CB 3.34Å; R170-K174 PolarHBondContact O-N 3.18Å
171	W	91.3	Very high	86.3	Confident	172 Å²	172	124.4 Å²	124.4	65%	0.652	60%	0.603	S	S	*	*	H	α-helix	trans	-70	-42.9	175.7	-172.9	78.8	0	0	0	111.6	R167 I168 L169 K174 N175	R167-W171 WeakPolarHBondContact O-CB 3.35Å; R167-W171 PolarHBondContact O-N 3.02Å; I168-W171 WeakPolarHBondContact O-CB 3.11Å; I168-W171 PolarHBondContact O-N 2.84Å; I168-W171 VanDerWaalsContact O-N 3.12Å; L169-W171 VanDerWaalsContact C-N 3.29Å; L169-W171 PolarHBondContact O-N 2.85Å; W171-K174 PolarHBondContact O-N 2.93Å; W171-N175 VanDerWaalsContact CE2-ND2 3.27Å; W171-N175 WeakPolarHBondContact CZ2-ND2 3.41Å; W171-N175 WeakPolarHBondContact O-CB 3.38Å; W171-N175 PolarHBondContact O-N 2.92Å
172	V	90.5	Very high	86.6	Confident	81 Å²	81	127.1 Å²	127.1	49%	0.491	61%	0.608	S	S	.	*	H	α-helix	trans	-61.5	-46.2	176.2	172.9	0	0	0	0	111.4	I168 L169 K174 N175 S176	I168-V172 HydrophobicContact CG2-CG2 4.45Å; I168-V172 WeakPolarHBondContact O-CG2 3.5Å; I168-V172 PolarHBondContact O-N 2.87Å; L169-V172 PolarHBondContact O-N 3.11Å; V172-K174 VanDerWaalsContact C-N 3.26Å; V172-K174 PolarHBondContact O-N 3.29Å; V172-N175 PolarHBondContact O-N 3.19Å; V172-S176 WeakPolarHBondContact O-CB 3.39Å; V172-S176 PolarHBondContact O-N 3.45Å
173	I	88.4	Confident	86.9	Confident	124 Å²	124	129.1 Å²	129.1	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-64.7	-31.1	178.7	-66.8	163.1	0	0	0	112	L169	L169-I173 WeakPolarHBondContact O-CG1 3.15Å; L169-I173 PolarHBondContact O-N 3.22Å
174	K	83.1	Confident	86.9	Confident	175 Å²	175	128.3 Å²	128.3	76%	0.761	61%	0.614	S	S	*	*	H	α-helix	trans	-83.8	-21.2	-178.4	-163.6	177	174.4	-171.7	0	113.2	R170 W171 V172	R170-K174 VanDerWaalsContact O-CB 3.32Å; R170-K174 WeakPolarHBondContact O-CB 3.34Å; R170-K174 PolarHBondContact O-N 3.18Å; W171-K174 PolarHBondContact O-N 2.93Å; V172-K174 VanDerWaalsContact C-N 3.26Å; V172-K174 PolarHBondContact O-N 3.29Å
175	N	79.5	Confident	86.9	Confident	110 Å²	110	132.3 Å²	132.3	59%	0.588	63%	0.63	S	S	*	*	H	α-helix	trans	-103.2	-5.1	178.6	-86.3	8.5	0	0	0	113.7	W171 V172	W171-N175 VanDerWaalsContact CE2-ND2 3.27Å; W171-N175 WeakPolarHBondContact CZ2-ND2 3.41Å; W171-N175 WeakPolarHBondContact O-CB 3.38Å; W171-N175 PolarHBondContact O-N 2.92Å; V172-N175 PolarHBondContact O-N 3.19Å
176	S	70.1	Confident	86.8	Confident	150 Å²	150	134 Å²	134	100%	1.049	63%	0.634	S	S	*	*			trans	-95.5	0	170.3	-173.6	0	0	0	0	110.9	V172	V172-S176 WeakPolarHBondContact O-CB 3.39Å; V172-S176 PolarHBondContact O-N 3.45Å

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