A0AA82MSK7_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MSK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 227 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	44.3	Very low	54.5	Low	241 Å²	241	161.2 Å²	161.2	100%	1.187	84%	0.841	S	S	*	*				0	107.3	0	-68.4	172.8	-148.1	0	0	108.9
2	K	48.4	Very low	54.8	Low	216 Å²	216	159.4 Å²	159.4	94%	0.939	83%	0.831	S	S	*	*			trans	-145.7	106.3	170.2	-75.6	-176	176.8	177.1	0	107.5
3	S	52.9	Low	55.1	Low	114 Å²	114	160 Å²	160	80%	0.797	83%	0.827	S	S	*	*			trans	-158.1	96.5	170.9	57.7	0	0	0	0	109.7
4	I	59	Low	54.7	Low	158 Å²	158	165.1 Å²	165.1	81%	0.81	83%	0.83	S	S	*	*			trans	-142.3	103.8	166.1	-52.5	-178	0	0	0	108.6
5	L	62.2	Low	55.3	Low	142 Å²	142	161.6 Å²	161.6	74%	0.743	83%	0.828	S	S	*	*			trans	72	100.8	154.5	-81.2	80.6	0	0	0	121
6	K	54.9	Low	54.6	Low	180 Å²	180	161.8 Å²	161.8	78%	0.783	83%	0.831	S	S	*	*			trans	-76.5	111.3	148	-85.8	163.9	168.3	166.9	0	109
7	N	64.2	Low	54.4	Low	150 Å²	150	158.8 Å²	158.8	80%	0.802	83%	0.828	S	S	*	*			trans	-102.9	99	160.3	-81.7	-11.4	0	0	0	109.2
8	R	54.5	Low	54.2	Low	203 Å²	203	159 Å²	159	77%	0.766	83%	0.829	S	S	*	*			trans	-82.3	136.2	166.9	-86.8	-179.9	-85.1	-177	-3.6	108.2
9	C	49.8	Very low	54.1	Low	128 Å²	128	156.5 Å²	156.5	87%	0.865	82%	0.817	S	S	*	*			trans	64	84.1	156.9	-54	0	0	0	0	117.1
10	A	54.9	Low	53.9	Low	93 Å²	93	153.9 Å²	153.9	77%	0.769	81%	0.808	S	S	*	*			trans	-117.6	94.2	152	0	0	0	0	0	108	I12	A10-I12 PolarHBondContact O-N 3.38Å
11	N	54.5	Low	54.1	Low	148 Å²	148	154.7 Å²	154.7	79%	0.791	81%	0.805	S	S	*	*			trans	-68.8	103.6	172	-170.4	4.1	0	0	0	107.5	Q13	N11-Q13 PolarHBondContact O-N 3.42Å
12	I	57.7	Low	54.6	Low	140 Å²	140	151.6 Å²	151.6	72%	0.718	79%	0.787	S	S	*	*			trans	-78.5	91.8	-179.6	-57.2	175	0	0	0	107.7	A10 R14	A10-I12 PolarHBondContact O-N 3.38Å; I12-R14 HydrophobicContact CG2-CG 4.34Å; I12-R14 PolarHBondContact O-N 3.21Å
13	Q	59.3	Low	54.8	Low	167 Å²	167	149.4 Å²	149.4	78%	0.78	78%	0.78	S	S	*	*			trans	-66.8	114.8	162.7	-83.3	179.3	-23.7	0	0	108.6	N11	N11-Q13 PolarHBondContact O-N 3.42Å
14	R	49.6	Very low	54.4	Low	231 Å²	231	150.4 Å²	150.4	87%	0.872	78%	0.782	S	S	*	*			trans	-90.8	106.7	166.2	-70.2	-179.1	173.9	157.1	-2.2	107.8	I12	I12-R14 HydrophobicContact CG2-CG 4.34Å; I12-R14 PolarHBondContact O-N 3.21Å
15	S	64	Low	54.1	Low	113 Å²	113	149.7 Å²	149.7	79%	0.79	78%	0.779	S	S	*	*			trans	-81.5	113.9	173.1	-41.2	0	0	0	0	109.3
16	N	42.7	Very low	53.3	Low	164 Å²	164	151.6 Å²	151.6	88%	0.877	78%	0.784	S	S	*	*			trans	-98.2	119.9	162	-87	-7.6	0	0	0	107.6
17	S	51.5	Low	53.3	Low	112 Å²	112	148.6 Å²	148.6	78%	0.783	79%	0.786	S	S	*	*			trans	-171.3	111.6	159.1	175	0	0	0	0	109.7
18	L	50.8	Low	52.5	Low	162 Å²	162	147.1 Å²	147.1	85%	0.848	78%	0.782	S	S	*	*			trans	-120.9	85	167.9	-135.3	164.4	0	0	0	104.9	T20	L18-T20 HydrophobicContact CD2-CG2 4.12Å
19	D	52.8	Low	52.5	Low	111 Å²	111	145.1 Å²	145.1	59%	0.594	79%	0.787	S	S	*	*			trans	-105.9	109.4	175.2	-166.2	13.9	0	0	0	107.8
20	T	50.2	Low	52.6	Low	105 Å²	105	146.2 Å²	146.2	64%	0.644	78%	0.779	S	S	*	*			trans	-112.1	76	176.8	46.5	0	0	0	0	109.3	L18 H22	L18-T20 HydrophobicContact CD2-CG2 4.12Å; T20-H22 PolarHBondContact O-N 3.1Å
21	K	57.2	Low	52.4	Low	170 Å²	170	149.2 Å²	149.2	74%	0.739	78%	0.777	S	S	*	*			trans	-80.6	99.3	166.8	-64.4	-170.6	-176.6	-179.5	0	109.3	Q23	K21-Q23 PolarHBondContact O-N 2.74Å
22	H	54.8	Low	52.6	Low	176 Å²	176	149.9 Å²	149.9	82%	0.815	78%	0.781	S	S	*	*			trans	-75.6	107	162.3	-80.1	-71.7	0	0	0	109.1	T20	T20-H22 PolarHBondContact O-N 3.1Å
23	Q	53.7	Low	52.4	Low	171 Å²	171	149.4 Å²	149.4	80%	0.799	78%	0.78	S	S	*	*			trans	-81.6	110.5	158.9	-80.7	-179.3	-25	0	0	108	K21	K21-Q23 PolarHBondContact O-N 2.74Å
24	T	44.1	Very low	52.1	Low	135 Å²	135	148.2 Å²	148.2	83%	0.828	78%	0.779	S	S	*	*			trans	-84.3	105.4	164.9	44	0	0	0	0	108.2
25	N	53.5	Low	52.2	Low	142 Å²	142	144.7 Å²	144.7	76%	0.759	78%	0.777	S	S	*	*			trans	-95.7	122.7	165.4	-69.6	-25.6	0	0	0	108.8
26	E	45.1	Very low	51.3	Low	182 Å²	182	148.5 Å²	148.5	85%	0.85	77%	0.774	S	S	*	*			trans	-61.2	127.5	168.4	178.4	179.4	-168.9	0	0	110.8
27	S	54.7	Low	51.6	Low	118 Å²	118	149.2 Å²	149.2	83%	0.825	78%	0.776	S	S	*	*			trans	-152.1	116.5	154.7	62.5	0	0	0	0	109.9
28	V	48.2	Very low	51.5	Low	118 Å²	118	149.9 Å²	149.9	72%	0.715	77%	0.767	S	S	*	*			trans	-70.8	131.5	169.4	176.3	0	0	0	0	108.7
29	D	54.5	Low	51.3	Low	161 Å²	161	146.4 Å²	146.4	86%	0.861	76%	0.762	S	S	*	*			trans	-154.9	145.9	148.3	-144.1	-6.4	0	0	0	110.7
30	E	51.2	Low	51	Low	152 Å²	152	149.9 Å²	149.9	71%	0.71	77%	0.774	S	S	*	*			trans	-88.2	147.4	-154.9	-59.6	-127	159.9	0	0	114.9
31	E	50.6	Low	51	Low	155 Å²	155	154.1 Å²	154.1	72%	0.724	78%	0.784	S	S	*	*			trans	41.6	100.8	146.6	-51.4	-64.1	149.1	0	0	119.2
32	D	58.1	Low	50.9	Low	162 Å²	162	150.5 Å²	150.5	87%	0.866	78%	0.78	S	S	*	*			trans	-137.6	88.9	155.7	-164.8	16.6	0	0	0	109.7	N34	D32-N34 PolarHBondContact O-N 2.75Å
33	D	53.6	Low	51.1	Low	130 Å²	130	151.2 Å²	151.2	70%	0.695	78%	0.781	S	S	*	*			trans	-72.6	111.7	166.7	-84	-30.5	0	0	0	109.2
34	N	54.2	Low	51.6	Low	142 Å²	142	150.6 Å²	150.6	76%	0.759	78%	0.776	S	S	*	*	S	Bend	trans	158.3	126	131.7	-80.8	-59	0	0	0	112.3	D32	D32-N34 PolarHBondContact O-N 2.75Å
35	D	50.2	Low	52.8	Low	157 Å²	157	153.5 Å²	153.5	84%	0.84	78%	0.777	S	S	*	*			trans	56.9	77.1	153.3	-58.6	-22.7	0	0	0	119.4
36	R	46.8	Very low	53.3	Low	193 Å²	193	153.6 Å²	153.6	73%	0.728	77%	0.766	S	S	*	*			trans	-140.3	96.6	154.6	-158.6	168.6	173.8	-178.9	-9.6	112.6	E38	R36-E38 HydrophobicContact CG-CB 4.29Å; R36-E38 HydrophobicContact CG-CG 4.4Å; R36-E38 IonicContact CZ-OE1 3.18Å; R36-E38 IonicContact CZ-OE2 3.32Å; R36-E38 IonicContact NE-OE1 2.92Å; R36-E38 PolarHBondContact NE-OE1 3.19Å; R36-E38 IonicContact NE-OE2 3.1Å; R36-E38 PolarHBondContact NE-OE2 2.86Å; R36-E38 VanDerWaalsContact NE-OE2 3.1Å; R36-E38 VanDerWaalsContact NH2-CD 3.34Å; R36-E38 IonicContact NH2-OE1 2.68Å; R36-E38 PolarHBondContact NH2-OE1 2.74Å; R36-E38 IonicContact NH2-OE2 3.25Å; R36-E38 PolarHBondContact NH2-OE2 2.71Å; R36-E38 PolarHBondContact O-N 3.39Å
37	I	48.2	Very low	54.3	Low	179 Å²	179	148.2 Å²	148.2	92%	0.918	75%	0.753	S	S	*	*			trans	-57.4	97.7	160.8	-61	165.9	0	0	0	107.2
38	E	48.4	Very low	55	Low	126 Å²	126	149.2 Å²	149.2	59%	0.589	74%	0.742	S	S	*	*			trans	-143.1	96.5	173.5	-114.8	175.6	-156.6	0	0	110.6	R36 E40	R36-E38 HydrophobicContact CG-CB 4.29Å; R36-E38 HydrophobicContact CG-CG 4.4Å; R36-E38 IonicContact CZ-OE1 3.18Å; R36-E38 IonicContact CZ-OE2 3.32Å; R36-E38 IonicContact NE-OE1 2.92Å; R36-E38 PolarHBondContact NE-OE1 3.19Å; R36-E38 IonicContact NE-OE2 3.1Å; R36-E38 PolarHBondContact NE-OE2 2.86Å; R36-E38 VanDerWaalsContact NE-OE2 3.1Å; R36-E38 VanDerWaalsContact NH2-CD 3.34Å; R36-E38 IonicContact NH2-OE1 2.68Å; R36-E38 PolarHBondContact NH2-OE1 2.74Å; R36-E38 IonicContact NH2-OE2 3.25Å; R36-E38 PolarHBondContact NH2-OE2 2.71Å; R36-E38 PolarHBondContact O-N 3.39Å; E38-E40 PolarHBondContact O-N 3.3Å
39	A	46.8	Very low	56	Low	89 Å²	89	148.5 Å²	148.5	74%	0.736	73%	0.734	S	S	*	*			trans	31.4	78	150	0	0	0	0	0	115.8	K41	A39-K41 PolarHBondContact O-N 2.84Å
40	E	47.8	Very low	56.9	Low	184 Å²	184	149.1 Å²	149.1	86%	0.86	72%	0.724	S	S	*	*			trans	-56.5	94.1	156.7	-97.1	-170.5	139.7	0	0	108.3	E38 S42	E38-E40 PolarHBondContact O-N 3.3Å; E40-S42 PolarHBondContact O-N 3.4Å; E40-S42 PolarHBondContact O-OG 3.33Å
41	K	49.5	Very low	58.1	Low	194 Å²	194	143.6 Å²	143.6	84%	0.843	70%	0.699	S	S	*	*			trans	-63.4	83.4	154.9	-67.1	179.4	-178.2	174.5	0	105.5	A39 K43	A39-K41 PolarHBondContact O-N 2.84Å; K41-K43 VanDerWaalsContact C-N 3.31Å; K41-K43 PolarHBondContact O-N 3.22Å
42	S	54.9	Low	59.6	Low	94 Å²	94	145.6 Å²	145.6	66%	0.657	71%	0.709	S	S	*	*			trans	-54.8	100.8	173.9	10.7	0	0	0	0	106.2	E40 K44	E40-S42 PolarHBondContact O-N 3.4Å; E40-S42 PolarHBondContact O-OG 3.33Å; S42-K44 PolarHBondContact O-N 2.88Å
43	K	59.8	Low	60.8	Low	191 Å²	191	143.9 Å²	143.9	83%	0.83	70%	0.7	S	S	*	*			trans	-63.1	89.1	168.5	-70.9	172.1	-178.2	170.6	0	104.7	K41 K45	K41-K43 VanDerWaalsContact C-N 3.31Å; K41-K43 PolarHBondContact O-N 3.22Å; K43-K45 PolarHBondContact O-N 3.01Å
44	K	62.9	Low	62	Low	159 Å²	159	139.1 Å²	139.1	69%	0.691	68%	0.681	S	S	*	*			trans	-58.3	86.3	173.8	-82.5	-175	170	-170.9	0	107.4	S42 R46 D64	S42-K44 PolarHBondContact O-N 2.88Å; K44-R46 PolarHBondContact O-N 2.74Å; K44-D64 IonicContact NZ-OD2 2.7Å; K44-D64 PolarHBondContact NZ-OD2 2.74Å
45	K	69.4	Low	63.1	Low	196 Å²	196	136.1 Å²	136.1	85%	0.852	67%	0.668	S	S	*	*			trans	-68.9	108.6	167.9	-77.3	-176.4	177.1	177.9	0	105.5	K43 A47	K43-K45 PolarHBondContact O-N 3.01Å; K45-A47 PolarHBondContact O-N 3.25Å; K45-A47 VanDerWaalsContact O-N 3.16Å
46	R	64.3	Low	64.3	Low	144 Å²	144	132 Å²	132	54%	0.543	65%	0.65	S	S	.	*			trans	-57	117.9	171.9	-144.6	171.5	91.1	-156.5	5.1	107.3	K44 F48 P58	K44-R46 PolarHBondContact O-N 2.74Å; R46-F48 PolarHBondContact O-N 3.46Å; R46-P58 VanDerWaalsContact NH2-CB 3.27Å
47	A	66.5	Low	65.2	Low	68 Å²	68	130.1 Å²	130.1	56%	0.562	64%	0.643	S	S	*	*			trans	-66.4	125.8	172.2	0	0	0	0	0	108	K45 G59	K45-A47 PolarHBondContact O-N 3.25Å; K45-A47 VanDerWaalsContact O-N 3.16Å; A47-G59 WeakPolarHBondContact O-CA 3.39Å; A47-G59 PolarHBondContact O-N 2.97Å
48	F	68.7	Low	66.3	Low	139 Å²	139	125.7 Å²	125.7	61%	0.61	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.4	114.9	167.4	-71.9	-84.3	0	0	0	107	R46 C56	R46-F48 PolarHBondContact O-N 3.46Å; F48-C56 HydrophobicContact CD1-CB 4.46Å
49	I	69.5	Low	67.2	Low	103 Å²	103	120.4 Å²	120.4	53%	0.528	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	126.1	176.1	-56	173.8	0	0	0	106.7	R57	I49-R57 PolarHBondContact N-O 2.87Å; I49-R57 PolarHBondContact O-N 3.26Å
50	R	74.3	Confident	68	Low	174 Å²	174	125 Å²	125	66%	0.657	61%	0.612	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.5	124.3	174.3	-169.1	-176.8	-71.3	-116	7.5	107.5	G54	R50-G54 VanDerWaalsContact CG-C 3.43Å; R50-G54 VanDerWaalsContact CG-CA 3.44Å; R50-G54 WeakPolarHBondContact CG-O 3.27Å; R50-G54 PolarHBondContact NH1-O 3.03Å
51	D	76.2	Confident	68.8	Low	37 Å²	37	122.9 Å²	122.9	20%	0.198	61%	0.606	C	S	.	*			trans	-73.2	174.4	173.4	65.9	17.1	0	0	0	111.7	N53 G54 V55 R57	D51-N53 PolarHBondContact O-N 3.25Å; D51-N53 VanDerWaalsContact O-N 3.08Å; D51-N53 WeakPolarHBondContact OD1-CA 3.18Å; D51-N53 WeakPolarHBondContact OD1-CB 3.37Å; D51-N53 PolarHBondContact OD1-N 3.34Å; D51-N53 VanDerWaalsContact OD1-N 3.11Å; D51-G54 PolarHBondContact O-N 3.38Å; D51-G54 PolarHBondContact OD1-N 3.04Å; D51-G54 VanDerWaalsContact OD1-N 3.14Å; D51-V55 PolarHBondContact N-O 3.4Å; D51-V55 WeakPolarHBondContact OD1-CA 3.46Å; D51-V55 WeakPolarHBondContact OD1-CB 3.47Å; D51-V55 PolarHBondContact OD1-N 2.85Å; D51-R57 IonicContact OD2-CZ 3.35Å; D51-R57 IonicContact OD2-NE 3.07Å; D51-R57 PolarHBondContact OD2-NE 3.41Å; D51-R57 IonicContact OD2-NH2 2.9Å; D51-R57 PolarHBondContact OD2-NH2 3.24Å
52	E	82.6	Confident	69.3	Low	197 Å²	197	120.1 Å²	120.1	92%	0.921	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-17.9	178.8	70.4	-166.7	166.3	0	0	113.1
53	N	82.3	Confident	69.7	Low	126 Å²	126	123.9 Å²	123.9	67%	0.674	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	1.5	177.1	-63.3	35	0	0	0	112.7	D51 V55	D51-N53 PolarHBondContact O-N 3.25Å; D51-N53 VanDerWaalsContact O-N 3.08Å; D51-N53 WeakPolarHBondContact OD1-CA 3.18Å; D51-N53 WeakPolarHBondContact OD1-CB 3.37Å; D51-N53 PolarHBondContact OD1-N 3.34Å; D51-N53 VanDerWaalsContact OD1-N 3.11Å; N53-V55 VanDerWaalsContact C-N 3.34Å; N53-V55 HydrophobicContact CB-CG2 4.33Å
54	G	77.9	Confident	69.7	Low	30 Å²	30	119.7 Å²	119.7	31%	0.309	59%	0.594	S	S	.	*	S	Bend	trans	83.4	5	180	0	0	0	0	0	115	R50 D51	R50-G54 VanDerWaalsContact CG-C 3.43Å; R50-G54 VanDerWaalsContact CG-CA 3.44Å; R50-G54 WeakPolarHBondContact CG-O 3.27Å; R50-G54 PolarHBondContact NH1-O 3.03Å; D51-G54 PolarHBondContact O-N 3.38Å; D51-G54 PolarHBondContact OD1-N 3.04Å; D51-G54 VanDerWaalsContact OD1-N 3.14Å
55	V	78.1	Confident	69.5	Low	79 Å²	79	119.1 Å²	119.1	48%	0.479	60%	0.604	S	S	.	*			trans	-83.9	121.5	-177.8	-175.4	0	0	0	0	109.4	D51 N53 R57	D51-V55 PolarHBondContact N-O 3.4Å; D51-V55 WeakPolarHBondContact OD1-CA 3.46Å; D51-V55 WeakPolarHBondContact OD1-CB 3.47Å; D51-V55 PolarHBondContact OD1-N 2.85Å; N53-V55 VanDerWaalsContact C-N 3.34Å; N53-V55 HydrophobicContact CB-CG2 4.33Å; V55-R57 PolarHBondContact O-N 3.44Å
56	C	74.9	Confident	69	Low	70 Å²	70	116.1 Å²	116.1	47%	0.473	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.7	109.2	173.8	-65.7	0	0	0	0	109.5	F48	F48-C56 HydrophobicContact CD1-CB 4.46Å
57	R	65.7	Low	68.7	Low	154 Å²	154	116.5 Å²	116.5	58%	0.581	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.4	145.5	170.2	-61.4	-170.9	-170.3	-173.5	3.6	109.6	I49 D51 V55 G59	I49-R57 PolarHBondContact N-O 2.87Å; I49-R57 PolarHBondContact O-N 3.26Å; D51-R57 IonicContact OD2-CZ 3.35Å; D51-R57 IonicContact OD2-NE 3.07Å; D51-R57 PolarHBondContact OD2-NE 3.41Å; D51-R57 IonicContact OD2-NH2 2.9Å; D51-R57 PolarHBondContact OD2-NH2 3.24Å; V55-R57 PolarHBondContact O-N 3.44Å; R57-G59 PolarHBondContact O-N 2.86Å; R57-G59 VanDerWaalsContact O-N 3.07Å
58	P	71.8	Confident	68	Low	86 Å²	86	116.8 Å²	116.8	56%	0.558	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-49.1	118.2	161.8	-23.9	34.7	0	0	0	108.2	R46	R46-P58 VanDerWaalsContact NH2-CB 3.27Å
59	G	66.7	Low	67.3	Low	15 Å²	15	120 Å²	120	16%	0.155	62%	0.618	C	S	.	*	P	Polyproline II helix	trans	-55	142.7	172.7	0	0	0	0	0	109.8	A47 R57 L61	A47-G59 WeakPolarHBondContact O-CA 3.39Å; A47-G59 PolarHBondContact O-N 2.97Å; R57-G59 PolarHBondContact O-N 2.86Å; R57-G59 VanDerWaalsContact O-N 3.07Å; G59-L61 PolarHBondContact O-N 2.85Å
60	E	63.6	Low	66.6	Low	186 Å²	186	121.6 Å²	121.6	87%	0.869	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-54.7	127.2	171.2	-67.1	178.9	178.2	0	0	107.7	D62	E60-D62 PolarHBondContact O-N 2.76Å
61	L	64.9	Low	65.4	Low	139 Å²	139	120.8 Å²	120.8	73%	0.728	63%	0.631	S	S	*	*			trans	-72	114.2	174.3	-171.6	90.1	0	0	0	105.1	G59 E63	G59-L61 PolarHBondContact O-N 2.85Å; L61-E63 PolarHBondContact O-N 3.38Å
62	D	61.5	Low	64.1	Low	136 Å²	136	127.1 Å²	127.1	73%	0.727	66%	0.66	S	S	*	*			trans	-51.4	117	163.9	-74.4	-29.3	0	0	0	106.3	E60 D64	E60-D62 PolarHBondContact O-N 2.76Å; D62-D64 PolarHBondContact O-N 3.36Å
63	E	63.4	Low	62.9	Low	173 Å²	173	123.3 Å²	123.3	81%	0.808	66%	0.655	S	S	*	*			trans	-68.5	75.8	177.2	-66.2	173.4	174.2	0	0	107.2	L61 T65	L61-E63 PolarHBondContact O-N 3.38Å; E63-T65 VanDerWaalsContact C-N 3.28Å; E63-T65 PolarHBondContact O-N 2.81Å; E63-T65 PolarHBondContact O-OG1 2.93Å
64	D	58.7	Low	61.6	Low	102 Å²	102	128.3 Å²	128.3	55%	0.545	66%	0.664	S	S	.	*			trans	-54.3	102.3	169.6	-77.7	-30	0	0	0	105.7	K44 D62 N66	K44-D64 IonicContact NZ-OD2 2.7Å; K44-D64 PolarHBondContact NZ-OD2 2.74Å; D62-D64 PolarHBondContact O-N 3.36Å; D64-N66 PolarHBondContact O-N 2.88Å
65	T	59.3	Low	60.7	Low	148 Å²	148	129.8 Å²	129.8	91%	0.908	67%	0.67	S	S	*	*	S	Bend	trans	-72.4	35.3	-172.1	-32.9	0	0	0	0	111	E63	E63-T65 VanDerWaalsContact C-N 3.28Å; E63-T65 PolarHBondContact O-N 2.81Å; E63-T65 PolarHBondContact O-OG1 2.93Å
66	N	57.9	Low	60	Low	132 Å²	132	128.5 Å²	128.5	71%	0.706	67%	0.665	S	S	*	*			trans	-123.6	48.1	178.6	-148.8	-10.4	0	0	0	109.4	D64 S68	D64-N66 PolarHBondContact O-N 2.88Å; N66-S68 PolarHBondContact O-N 2.77Å
67	M	58.5	Low	59.7	Low	153 Å²	153	129.7 Å²	129.7	75%	0.754	67%	0.67	S	S	*	*			trans	-69.2	75.4	151.2	-69.9	-79.4	-87.6	0	0	106.3	K69	M67-K69 VanDerWaalsContact C-N 3.26Å; M67-K69 PolarHBondContact O-N 2.78Å
68	S	51.7	Low	60.1	Low	73 Å²	73	127.2 Å²	127.2	51%	0.51	67%	0.671	S	S	.	*			trans	-61.1	91.4	175.7	61.6	0	0	0	0	108.7	N66 N70	N66-S68 PolarHBondContact O-N 2.77Å; S68-N70 WeakPolarHBondContact O-CB 3.25Å; S68-N70 PolarHBondContact O-N 2.95Å
69	K	54.9	Low	60.1	Low	207 Å²	207	127.1 Å²	127.1	90%	0.9	67%	0.666	S	S	*	*	S	Bend	trans	36.9	14.1	142.9	-133.1	167.5	-176.5	173.1	0	120.9	M67	M67-K69 VanDerWaalsContact C-N 3.26Å; M67-K69 PolarHBondContact O-N 2.78Å
70	N	54	Low	60.4	Low	137 Å²	137	133 Å²	133	73%	0.733	68%	0.684	S	S	*	*			trans	-126.9	6.2	-172.4	-66.8	-20.1	0	0	0	113.5	S68 E72	S68-N70 WeakPolarHBondContact O-CB 3.25Å; S68-N70 PolarHBondContact O-N 2.95Å; N70-E72 PolarHBondContact O-N 3.22Å; N70-E72 VanDerWaalsContact O-N 3.08Å
71	H	49.7	Very low	61	Low	156 Å²	156	126.5 Å²	126.5	72%	0.722	66%	0.656	S	S	*	*			trans	-83.5	56.5	162.4	-69.3	-60	0	0	0	109.6	S73	H71-S73 PolarHBondContact O-N 2.77Å
72	E	48.2	Very low	61.6	Low	171 Å²	171	122 Å²	122	80%	0.799	64%	0.639	S	S	*	*			trans	-63.1	119.1	161.1	-161	155.9	-144.3	0	0	106.1	N70 R74	N70-E72 PolarHBondContact O-N 3.22Å; N70-E72 VanDerWaalsContact O-N 3.08Å; E72-R74 PolarHBondContact O-N 2.8Å
73	S	57.8	Low	62.1	Low	117 Å²	117	118.2 Å²	118.2	82%	0.818	63%	0.627	S	S	*	*			trans	-56.2	68.5	-170.7	-51.3	0	0	0	0	113.2	H71 S75	H71-S73 PolarHBondContact O-N 2.77Å; S73-S75 PolarHBondContact O-N 3.28Å
74	R	55.7	Low	62.6	Low	230 Å²	230	115.8 Å²	115.8	87%	0.868	62%	0.616	S	S	*	*			trans	-77.7	63.8	170.4	-64.1	-177.2	75	119.3	1.5	108.2	E72 S76	E72-R74 PolarHBondContact O-N 2.8Å; R74-S76 PolarHBondContact O-N 3.18Å
75	S	58.4	Low	63.5	Low	61 Å²	61	118.4 Å²	118.4	43%	0.427	62%	0.618	S	S	.	*			trans	-53.8	113.3	163.3	-176.4	0	0	0	0	106.7	S73 R80	S73-S75 PolarHBondContact O-N 3.28Å; S75-R80 VanDerWaalsContact OG-CG 3.3Å; S75-R80 WeakPolarHBondContact OG-CG 3.27Å
76	S	62.4	Low	64.1	Low	53 Å²	53	116.6 Å²	116.6	37%	0.371	60%	0.602	S	S	.	*			trans	-56	149.8	174.9	173.3	0	0	0	0	108.8	R74 V78 D79 R80	R74-S76 PolarHBondContact O-N 3.18Å; S76-V78 PolarHBondContact O-N 3.1Å; S76-V78 VanDerWaalsContact O-N 3.11Å; S76-V78 WeakPolarHBondContact OG-CB 3.14Å; S76-V78 PolarHBondContact OG-N 3.37Å; S76-D79 VanDerWaalsContact CB-OD2 3.23Å; S76-D79 WeakPolarHBondContact CB-OD2 3.4Å; S76-D79 PolarHBondContact N-OD2 3Å; S76-D79 VanDerWaalsContact N-OD2 3.08Å; S76-D79 WeakPolarHBondContact O-CA 3.32Å; S76-D79 WeakPolarHBondContact O-CB 3.49Å; S76-D79 PolarHBondContact O-N 3.38Å; S76-R80 PolarHBondContact O-N 2.89Å
77	V	69.9	Low	64.7	Low	95 Å²	95	113.5 Å²	113.5	58%	0.576	59%	0.591	S	S	*	*	H	α-helix	trans	-51.8	-33.5	169.6	175.5	0	0	0	0	110.2	T81	V77-T81 WeakPolarHBondContact O-CB 3.42Å; V77-T81 PolarHBondContact O-N 3.2Å; V77-T81 PolarHBondContact O-OG1 2.77Å
78	V	72.3	Confident	65.1	Low	101 Å²	101	109.8 Å²	109.8	61%	0.612	58%	0.579	S	S	*	*	H	α-helix	trans	-64.1	-44.2	174.5	-178.1	0	0	0	0	111.5	S76 T81 A82	S76-V78 PolarHBondContact O-N 3.1Å; S76-V78 VanDerWaalsContact O-N 3.11Å; S76-V78 WeakPolarHBondContact OG-CB 3.14Å; S76-V78 PolarHBondContact OG-N 3.37Å; V78-T81 PolarHBondContact O-N 3.25Å; V78-A82 VanDerWaalsContact O-CB 3.29Å; V78-A82 WeakPolarHBondContact O-CB 3.45Å; V78-A82 PolarHBondContact O-N 2.99Å
79	D	73.8	Confident	65.8	Low	85 Å²	85	113.5 Å²	113.5	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-67.7	-41.4	179.9	-57.7	-28.8	0	0	0	111	S76 A82 A83	S76-D79 VanDerWaalsContact CB-OD2 3.23Å; S76-D79 WeakPolarHBondContact CB-OD2 3.4Å; S76-D79 PolarHBondContact N-OD2 3Å; S76-D79 VanDerWaalsContact N-OD2 3.08Å; S76-D79 WeakPolarHBondContact O-CA 3.32Å; S76-D79 WeakPolarHBondContact O-CB 3.49Å; S76-D79 PolarHBondContact O-N 3.38Å; D79-A82 PolarHBondContact O-N 2.9Å; D79-A83 WeakPolarHBondContact O-CB 3.39Å; D79-A83 PolarHBondContact O-N 2.7Å
80	R	72.4	Confident	66.5	Low	139 Å²	139	107.3 Å²	107.3	53%	0.525	56%	0.558	S	S	.	*	H	α-helix	trans	-59.8	-48.6	173.1	-71.8	-169	-80.2	163.9	-4.7	111.4	S75 S76 A82 A83 E84	S75-R80 VanDerWaalsContact OG-CG 3.3Å; S75-R80 WeakPolarHBondContact OG-CG 3.27Å; S76-R80 PolarHBondContact O-N 2.89Å; R80-A82 VanDerWaalsContact C-N 3.31Å; R80-A82 PolarHBondContact O-N 3.33Å; R80-A83 PolarHBondContact O-N 3.23Å; R80-E84 WeakPolarHBondContact O-CB 3.42Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 3.14Å
81	T	76.4	Confident	67.1	Low	48 Å²	48	104.7 Å²	104.7	29%	0.294	55%	0.547	S	S	.	.	H	α-helix	trans	-62.6	-38.3	177.8	-55.1	0	0	0	0	111.9	V77 V78 R85	V77-T81 WeakPolarHBondContact O-CB 3.42Å; V77-T81 PolarHBondContact O-N 3.2Å; V77-T81 PolarHBondContact O-OG1 2.77Å; V78-T81 PolarHBondContact O-N 3.25Å; T81-R85 WeakPolarHBondContact O-CB 3.48Å; T81-R85 WeakPolarHBondContact O-CG 3.48Å; T81-R85 PolarHBondContact O-N 3.08Å
82	A	75.9	Confident	68.1	Low	44 Å²	44	103.3 Å²	103.3	36%	0.364	54%	0.541	S	S	.	.	H	α-helix	trans	-67.2	-44.2	177.4	0	0	0	0	0	111.3	V78 D79 R80 R85 I86	V78-A82 VanDerWaalsContact O-CB 3.29Å; V78-A82 WeakPolarHBondContact O-CB 3.45Å; V78-A82 PolarHBondContact O-N 2.99Å; D79-A82 PolarHBondContact O-N 2.9Å; R80-A82 VanDerWaalsContact C-N 3.31Å; R80-A82 PolarHBondContact O-N 3.33Å; A82-R85 PolarHBondContact O-N 3.11Å; A82-I86 VanDerWaalsContact O-CG1 3.31Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.07Å
83	A	73.8	Confident	68.8	Low	58 Å²	58	101.1 Å²	101.1	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-61.4	-45.4	175.5	0	0	0	0	0	111.7	D79 R80 R85 I86 S87	D79-A83 WeakPolarHBondContact O-CB 3.39Å; D79-A83 PolarHBondContact O-N 2.7Å; R80-A83 PolarHBondContact O-N 3.23Å; A83-R85 PolarHBondContact O-N 2.92Å; A83-I86 PolarHBondContact O-N 2.9Å; A83-S87 WeakPolarHBondContact O-CB 3.38Å; A83-S87 PolarHBondContact O-N 3.16Å
84	E	73.2	Confident	68.8	Low	121 Å²	121	103.5 Å²	103.5	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-58.7	-44.5	173.8	-75.1	169.9	-161.1	0	0	111.9	R80 I86 S87 C88	R80-E84 WeakPolarHBondContact O-CB 3.42Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 3.14Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 PolarHBondContact O-N 2.8Å; E84-S87 PolarHBondContact O-N 3.34Å; E84-C88 PolarHBondContact O-N 3.49Å; E84-C88 PolarHBondContact O-SG 2.99Å
85	R	76.6	Confident	69	Low	157 Å²	157	96.1 Å²	96.1	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-63.7	-33	177.2	-76.3	172.6	-179.8	-175.7	2.8	113.2	T81 A82 A83 R89	T81-R85 WeakPolarHBondContact O-CB 3.48Å; T81-R85 WeakPolarHBondContact O-CG 3.48Å; T81-R85 PolarHBondContact O-N 3.08Å; A82-R85 PolarHBondContact O-N 3.11Å; A83-R85 PolarHBondContact O-N 2.92Å; R85-R89 WeakPolarHBondContact O-CG 3.38Å; R85-R89 PolarHBondContact O-N 2.87Å; R85-R89 PolarHBondContact O-NE 2.73Å
86	I	72.9	Confident	68.9	Low	110 Å²	110	98.9 Å²	98.9	56%	0.564	52%	0.515	S	S	*	.	H	α-helix	trans	-73.8	-43.7	175.5	-66.9	164.2	0	0	0	109.6	A82 A83 E84 R89 L90	A82-I86 VanDerWaalsContact O-CG1 3.31Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.07Å; A83-I86 PolarHBondContact O-N 2.9Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 PolarHBondContact O-N 2.8Å; I86-R89 PolarHBondContact O-N 3.31Å; I86-L90 PolarHBondContact O-N 3.27Å
87	S	70.9	Confident	68.6	Low	68 Å²	68	100.3 Å²	100.3	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-59.4	-50.3	177.6	-175.1	0	0	0	0	112	A83 E84 R89 L90 V91	A83-S87 WeakPolarHBondContact O-CB 3.38Å; A83-S87 PolarHBondContact O-N 3.16Å; E84-S87 PolarHBondContact O-N 3.34Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.4Å; S87-L90 PolarHBondContact O-N 3.07Å; S87-L90 VanDerWaalsContact O-N 3.11Å; S87-V91 WeakPolarHBondContact O-CG2 3.46Å; S87-V91 PolarHBondContact O-N 2.97Å
88	C	65.9	Low	67.8	Low	74 Å²	74	103.5 Å²	103.5	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-36.9	177.6	-71.4	0	0	0	0	112.7	E84 Q92	E84-C88 PolarHBondContact O-N 3.49Å; E84-C88 PolarHBondContact O-SG 2.99Å; C88-Q92 WeakPolarHBondContact O-CB 3.47Å; C88-Q92 VanDerWaalsContact O-CG 3.26Å; C88-Q92 WeakPolarHBondContact O-CG 3.39Å; C88-Q92 PolarHBondContact O-N 3.25Å
89	R	67.6	Low	67.1	Low	152 Å²	152	100.4 Å²	100.4	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-67.6	-39.8	175.6	-77.3	-177.7	-126.5	169.3	-0.6	112.2	R85 I86 S87 Q92 Q93	R85-R89 WeakPolarHBondContact O-CG 3.38Å; R85-R89 PolarHBondContact O-N 2.87Å; R85-R89 PolarHBondContact O-NE 2.73Å; I86-R89 PolarHBondContact O-N 3.31Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.4Å; R89-Q92 PolarHBondContact O-N 3.03Å; R89-Q93 WeakPolarHBondContact O-CG 3.46Å; R89-Q93 PolarHBondContact O-N 3.16Å
90	L	69.3	Low	66.3	Low	76 Å²	76	100.9 Å²	100.9	40%	0.398	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-42	177.5	-174.6	66.6	0	0	0	111.5	I86 S87 Q93 R94	I86-L90 PolarHBondContact O-N 3.27Å; S87-L90 PolarHBondContact O-N 3.07Å; S87-L90 VanDerWaalsContact O-N 3.11Å; L90-Q93 PolarHBondContact O-N 3.02Å; L90-R94 WeakPolarHBondContact O-CG 3.26Å; L90-R94 PolarHBondContact O-N 3.39Å
91	V	65.8	Low	65.5	Low	83 Å²	83	102.5 Å²	102.5	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-47.4	174.2	174.8	0	0	0	0	110.4	S87 Q93 R94 S95	S87-V91 WeakPolarHBondContact O-CG2 3.46Å; S87-V91 PolarHBondContact O-N 2.97Å; V91-Q93 PolarHBondContact O-N 2.94Å; V91-R94 PolarHBondContact O-N 3.01Å; V91-R94 VanDerWaalsContact O-N 3.16Å; V91-S95 PolarHBondContact O-N 3.18Å; V91-S95 PolarHBondContact O-OG 3.3Å
92	Q	70.1	Confident	64.7	Low	127 Å²	127	109 Å²	109	59%	0.593	54%	0.542	S	S	*	.	H	α-helix	trans	-61.9	-38.4	178.1	-73.6	171.4	19	0	0	113.4	C88 R89 S95 L96	C88-Q92 WeakPolarHBondContact O-CB 3.47Å; C88-Q92 VanDerWaalsContact O-CG 3.26Å; C88-Q92 WeakPolarHBondContact O-CG 3.39Å; C88-Q92 PolarHBondContact O-N 3.25Å; R89-Q92 PolarHBondContact O-N 3.03Å; Q92-S95 PolarHBondContact O-N 3.42Å; Q92-L96 WeakPolarHBondContact O-CG 3.33Å; Q92-L96 PolarHBondContact O-N 3.43Å; Q92-L96 VanDerWaalsContact O-N 3.07Å
93	Q	62.8	Low	63.8	Low	125 Å²	125	113.6 Å²	113.6	58%	0.584	55%	0.553	S	S	*	*	H	α-helix	trans	-62	-45.1	173.5	-77.4	178	-35	0	0	111.3	R89 L90 V91 L96 D97	R89-Q93 WeakPolarHBondContact O-CG 3.46Å; R89-Q93 PolarHBondContact O-N 3.16Å; L90-Q93 PolarHBondContact O-N 3.02Å; V91-Q93 PolarHBondContact O-N 2.94Å; Q93-L96 PolarHBondContact O-N 3.05Å; Q93-D97 PolarHBondContact O-N 3.22Å
94	R	58.3	Low	63.1	Low	166 Å²	166	116.5 Å²	116.5	63%	0.626	56%	0.56	S	S	*	*	H	α-helix	trans	-69.7	-31.7	177.9	-69.2	178.4	177.6	173.6	-0.9	113.2	L90 V91 D97 F98	L90-R94 WeakPolarHBondContact O-CG 3.26Å; L90-R94 PolarHBondContact O-N 3.39Å; V91-R94 PolarHBondContact O-N 3.01Å; V91-R94 VanDerWaalsContact O-N 3.16Å; R94-D97 PolarHBondContact O-N 2.9Å; R94-F98 PolarHBondContact O-N 2.82Å; R94-F98 VanDerWaalsContact O-N 3.16Å
95	S	60.2	Low	62.3	Low	76 Å²	76	116.9 Å²	116.9	53%	0.531	57%	0.566	S	S	.	*	H	α-helix	trans	-70.3	-32.6	174.8	-59.1	0	0	0	0	112.5	V91 Q92 D97 F98	V91-S95 PolarHBondContact O-N 3.18Å; V91-S95 PolarHBondContact O-OG 3.3Å; Q92-S95 PolarHBondContact O-N 3.42Å; S95-D97 VanDerWaalsContact C-N 3.3Å; S95-F98 PolarHBondContact O-N 3.4Å
96	L	55.9	Low	61.2	Low	119 Å²	119	114.8 Å²	114.8	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-65	-36.7	171.2	-77.7	162.4	0	0	0	111.4	Q92 Q93 L100	Q92-L96 WeakPolarHBondContact O-CG 3.33Å; Q92-L96 PolarHBondContact O-N 3.43Å; Q92-L96 VanDerWaalsContact O-N 3.07Å; Q93-L96 PolarHBondContact O-N 3.05Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3Å
97	D	56	Low	60.3	Low	83 Å²	83	117.8 Å²	117.8	44%	0.444	58%	0.576	S	S	.	*	H	α-helix	trans	-67.8	-35.1	176.4	-69	-24.2	0	0	0	112.3	Q93 R94 S95 G99 L100 Y101	Q93-D97 PolarHBondContact O-N 3.22Å; R94-D97 PolarHBondContact O-N 2.9Å; S95-D97 VanDerWaalsContact C-N 3.3Å; D97-G99 VanDerWaalsContact C-N 3.33Å; D97-G99 PolarHBondContact O-N 2.95Å; D97-L100 PolarHBondContact O-N 2.96Å; D97-Y101 HydrophobicContact CB-CD2 4.38Å; D97-Y101 WeakPolarHBondContact O-CB 3.31Å; D97-Y101 WeakPolarHBondContact O-CD2 3.2Å; D97-Y101 PolarHBondContact O-N 3.11Å
98	F	54.5	Low	59.4	Low	161 Å²	161	121.2 Å²	121.2	71%	0.706	59%	0.589	S	S	*	*	H	α-helix	trans	-63.6	-37.6	179.8	-131.4	-90.7	0	0	0	112.8	R94 S95 R102	R94-F98 PolarHBondContact O-N 2.82Å; R94-F98 VanDerWaalsContact O-N 3.16Å; S95-F98 PolarHBondContact O-N 3.4Å; F98-R102 PolarHBondContact O-N 3.29Å
99	G	57.7	Low	58.6	Low	37 Å²	37	125.6 Å²	125.6	38%	0.381	60%	0.604	S	S	.	*	H	α-helix	trans	-73.1	-31.4	174.8	0	0	0	0	0	113.6	D97 K103	D97-G99 VanDerWaalsContact C-N 3.33Å; D97-G99 PolarHBondContact O-N 2.95Å; G99-K103 WeakPolarHBondContact O-CG 3.36Å; G99-K103 PolarHBondContact O-N 3.07Å
100	L	56	Low	57.6	Low	94 Å²	94	125.3 Å²	125.3	49%	0.492	61%	0.614	S	S	.	*	H	α-helix	trans	-78.1	-37.9	177	-72.6	168.6	0	0	0	112.2	L96 D97 K103 L104	L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3Å; D97-L100 PolarHBondContact O-N 2.96Å; L100-K103 PolarHBondContact O-N 3.27Å; L100-L104 WeakPolarHBondContact O-CB 3.37Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 3.34Å
101	Y	56.1	Low	56.5	Low	173 Å²	173	127.1 Å²	127.1	68%	0.678	63%	0.633	S	S	*	*	H	α-helix	trans	-63.2	-42.3	172.8	-96.1	-84.4	0	0	0	111.5	D97 K103 L104 N105	D97-Y101 HydrophobicContact CB-CD2 4.38Å; D97-Y101 WeakPolarHBondContact O-CB 3.31Å; D97-Y101 WeakPolarHBondContact O-CD2 3.2Å; D97-Y101 PolarHBondContact O-N 3.11Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.4Å; Y101-L104 PolarHBondContact O-N 3.01Å; Y101-N105 WeakPolarHBondContact O-CB 3.49Å; Y101-N105 PolarHBondContact O-N 3.41Å
102	R	58.2	Low	55.7	Low	186 Å²	186	131 Å²	131	70%	0.702	65%	0.651	S	S	*	*	H	α-helix	trans	-61.2	-38.8	173.9	-170.9	-174.8	-75.7	-151.3	-2.2	112	F98	F98-R102 PolarHBondContact O-N 3.29Å
103	K	58.6	Low	54.4	Low	139 Å²	139	136.4 Å²	136.4	60%	0.604	67%	0.666	S	S	*	*	H	α-helix	trans	-71.5	-43	177.4	-75.5	175.3	-179	178.8	0	112.3	G99 L100 Y101 N105 N106 F107	G99-K103 WeakPolarHBondContact O-CG 3.36Å; G99-K103 PolarHBondContact O-N 3.07Å; L100-K103 PolarHBondContact O-N 3.27Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.4Å; K103-N105 VanDerWaalsContact C-N 3.34Å; K103-N105 PolarHBondContact O-N 3.29Å; K103-N106 PolarHBondContact O-N 3.3Å; K103-F107 WeakPolarHBondContact O-CD2 3.4Å; K103-F107 PolarHBondContact O-N 3.32Å
104	L	57.7	Low	53.1	Low	119 Å²	119	135.6 Å²	135.6	62%	0.623	67%	0.674	S	S	*	*	H	α-helix	trans	-66.8	-33.2	179.4	-73.1	170.2	0	0	0	113	L100 Y101 N106 F107	L100-L104 WeakPolarHBondContact O-CB 3.37Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 3.34Å; Y101-L104 PolarHBondContact O-N 3.01Å; L104-N106 PolarHBondContact O-N 3.26Å; L104-F107 PolarHBondContact O-N 3.05Å
105	N	56.1	Low	52.3	Low	129 Å²	129	133 Å²	133	69%	0.69	68%	0.679	S	S	*	*	H	α-helix	trans	-68.3	-22.5	177.3	-141.1	29.5	0	0	0	112.9	Y101 K103	Y101-N105 WeakPolarHBondContact O-CB 3.49Å; Y101-N105 PolarHBondContact O-N 3.41Å; K103-N105 VanDerWaalsContact C-N 3.34Å; K103-N105 PolarHBondContact O-N 3.29Å
106	N	55.4	Low	51.2	Low	114 Å²	114	135.6 Å²	135.6	61%	0.61	69%	0.691	S	S	*	*	H	α-helix	trans	-87.9	-20.5	176.5	-68.7	-2.1	0	0	0	113.4	K103 L104	K103-N106 PolarHBondContact O-N 3.3Å; L104-N106 PolarHBondContact O-N 3.26Å
107	F	53.8	Low	50.3	Low	173 Å²	173	139 Å²	139	76%	0.759	70%	0.704	S	S	*	*	H	α-helix	trans	-87.4	-6	-179.7	-82.7	-72.7	0	0	0	114.2	K103 L104	K103-F107 WeakPolarHBondContact O-CD2 3.4Å; K103-F107 PolarHBondContact O-N 3.32Å; L104-F107 PolarHBondContact O-N 3.05Å
108	N	51.5	Low	49.6	Very low	140 Å²	140	141 Å²	141	75%	0.749	72%	0.724	S	S	*	*	S	Bend	trans	-105.8	11	-172.7	-149.4	30.8	0	0	0	115.1
109	M	49.5	Very low	48.6	Very low	165 Å²	165	136.8 Å²	136.8	81%	0.813	73%	0.727	S	S	*	*	S	Bend	trans	-115.9	-8.3	-178.6	-78.6	-69	-170.5	0	0	115.9
110	D	45.3	Very low	47.8	Very low	146 Å²	146	140.9 Å²	140.9	78%	0.781	75%	0.75	S	S	*	*	S	Bend	trans	-103.9	6	-174.7	-73.3	-30.6	0	0	0	115.8	N112	D110-N112 PolarHBondContact O-N 3.19Å
111	S	47.4	Very low	46.9	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	5.2	-174.4	-120.8	0	0	0	0	116.3
112	N	48.1	Very low	45.8	Very low	164 Å²	164	139 Å²	139	88%	0.877	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	14	-175.7	-76.1	-27.3	0	0	0	116	D110	D110-N112 PolarHBondContact O-N 3.19Å
113	R	42.4	Very low	45.3	Very low	241 Å²	241	138.1 Å²	138.1	91%	0.909	77%	0.773	S	S	*	*			trans	-112.5	86.4	177.2	-129.8	176.9	-174.3	-122.8	3.2	111.8
114	S	35.8	Very low	44.3	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	78%	0.779	S	S	*	*			trans	-84.3	169.2	166.1	76.3	0	0	0	0	110.5
115	P	41.3	Very low	43.3	Very low	112 Å²	112	139.8 Å²	139.8	73%	0.727	78%	0.784	S	S	*	*				-125.6	126.3	-96.5	30.4	-11.5	0	0	0	112
116	T	37.9	Very low	42.8	Very low	129 Å²	129	141.4 Å²	141.4	79%	0.791	79%	0.793	S	S	*	*			trans	-156.6	124.4	167.9	19.4	0	0	0	0	111.8
117	Q	37.5	Very low	42.1	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	81%	0.808	S	S	*	*			trans	65.7	111.3	149.4	-71.9	178.4	-32.8	0	0	119.1
118	S	40.1	Very low	41.9	Very low	125 Å²	125	142.5 Å²	142.5	87%	0.874	81%	0.807	S	S	*	*			trans	129.1	105.2	140.8	-157.3	0	0	0	0	108.5
119	G	33.2	Very low	41.4	Very low	74 Å²	74	146 Å²	146	76%	0.763	82%	0.816	S	S	*	*			cis	99.3	58.9	39.6	0	0	0	0	0	110.2
120	S	41.7	Very low	41.2	Very low	123 Å²	123	144 Å²	144	86%	0.86	81%	0.808	S	S	*	*			trans	-178.7	111.3	160.2	-177.6	0	0	0	0	105.4
121	G	37.1	Very low	41.1	Very low	61 Å²	61	143.4 Å²	143.4	63%	0.629	81%	0.809	S	S	*	*				109.6	74.5	58.2	0	0	0	0	0	106.8	L123	G121-L123 PolarHBondContact O-N 3.2Å
122	I	32.4	Very low	40.6	Very low	165 Å²	165	144.6 Å²	144.6	85%	0.846	81%	0.805	S	S	*	*			trans	-68.6	108.9	175.5	-53.1	166.3	0	0	0	105.9
123	L	49.3	Very low	40.7	Very low	169 Å²	169	141.9 Å²	141.9	89%	0.885	80%	0.8	S	S	*	*			trans	-110.8	111.2	167.9	-81	167.6	0	0	0	108.2	G121	G121-L123 PolarHBondContact O-N 3.2Å
124	E	37.4	Very low	40.6	Very low	155 Å²	155	139.5 Å²	139.5	72%	0.724	80%	0.796	S	S	*	*			trans	-61.8	144.7	168.3	-59.2	172	146.6	0	0	110
125	N	36.6	Very low	41.2	Very low	138 Å²	138	142 Å²	142	74%	0.738	80%	0.8	S	S	*	*			trans	67.6	115.1	158.4	-46.6	-41.9	0	0	0	116.2
126	D	44.2	Very low	41.5	Very low	163 Å²	163	145.9 Å²	145.9	87%	0.872	81%	0.805	S	S	*	*				-166.5	109.2	127	-91.4	-23.3	0	0	0	110.1	N128	D126-N128 PolarHBondContact O-N 3.14Å
127	D	42.1	Very low	41.8	Very low	173 Å²	173	148.4 Å²	148.4	93%	0.925	81%	0.808	S	S	*	*			trans	-62.5	105.1	169.9	-67.2	-49.1	0	0	0	110.2
128	N	49.1	Very low	42.4	Very low	136 Å²	136	146.3 Å²	146.3	73%	0.727	80%	0.803	S	S	*	*			trans	-152.1	66.2	164.3	-158.6	21.8	0	0	0	113.8	D126 N130	D126-N128 PolarHBondContact O-N 3.14Å; N128-N130 PolarHBondContact O-N 3.25Å
129	F	40.9	Very low	42.7	Very low	214 Å²	214	147.8 Å²	147.8	94%	0.939	80%	0.801	S	S	*	*			trans	-83.9	83.9	162.1	-87	-87.9	0	0	0	109.9
130	N	46.3	Very low	43.8	Very low	123 Å²	123	151.1 Å²	151.1	66%	0.658	80%	0.801	S	S	*	*			trans	-171.2	80.2	154	-131	-6	0	0	0	114.1	N128	N128-N130 PolarHBondContact O-N 3.25Å
131	V	42.4	Very low	44.4	Very low	133 Å²	133	154.2 Å²	154.2	81%	0.806	80%	0.802	S	S	*	*			trans	-140	97.6	154.4	-172.2	0	0	0	0	110.2	S133	V131-S133 PolarHBondContact O-N 3.38Å
132	I	36.8	Very low	45.2	Very low	140 Å²	140	161.8 Å²	161.8	72%	0.718	81%	0.813	S	S	*	*			trans	-62.5	111.5	168.8	-63.8	159.2	0	0	0	109
133	S	49.8	Very low	46.2	Very low	108 Å²	108	160.8 Å²	160.8	76%	0.755	81%	0.805	S	S	*	*			trans	-104.8	106.8	164.4	46.9	0	0	0	0	110.3	V131	V131-S133 PolarHBondContact O-N 3.38Å
134	K	40.7	Very low	46.5	Very low	190 Å²	190	159.7 Å²	159.7	83%	0.826	80%	0.795	S	S	*	*			trans	-59.9	119.5	173.8	-60.6	170	173.5	-179.6	0	111.7
135	L	47.8	Very low	47.7	Very low	161 Å²	161	161.9 Å²	161.9	84%	0.843	80%	0.798	S	S	*	*			trans	-144.3	89.2	159.6	-68.2	175	0	0	0	106.2
136	K	48.2	Very low	48.6	Very low	194 Å²	194	164.2 Å²	164.2	84%	0.843	80%	0.798	S	S	*	*				63.2	105.6	108.2	-81.9	-171	174.4	-174.3	0	113
137	E	44.1	Very low	49.3	Very low	182 Å²	182	163.2 Å²	163.2	85%	0.85	79%	0.793	S	S	*	*			trans	-53	124.3	163.3	-72.5	157	141.3	0	0	109.9
138	D	50.7	Low	49.9	Very low	146 Å²	146	162 Å²	162	78%	0.781	79%	0.786	S	S	*	*			trans	-120.3	121.6	156.7	-77.1	-30.1	0	0	0	107.1	N140	D138-N140 PolarHBondContact O-N 3.28Å
139	D	46.2	Very low	50.3	Low	156 Å²	156	161.4 Å²	161.4	83%	0.834	78%	0.783	S	S	*	*			trans	-69.4	102.8	-175.9	-63.2	-48.7	0	0	0	111	E141	D139-E141 PolarHBondContact O-N 3.27Å
140	N	55.2	Low	51	Low	144 Å²	144	159 Å²	159	77%	0.77	78%	0.78	S	S	*	*			trans	-92.5	92.3	170.1	-69	-13.4	0	0	0	109.6	D138 Y142	D138-N140 PolarHBondContact O-N 3.28Å; N140-Y142 PolarHBondContact O-N 3.16Å
141	E	56.1	Low	51.6	Low	187 Å²	187	160.1 Å²	160.1	87%	0.874	79%	0.786	S	S	*	*			trans	-55.9	111.2	170.4	-171.7	170.6	-170.2	0	0	110.6	D139 H143	D139-E141 PolarHBondContact O-N 3.27Å; E141-H143 PolarHBondContact O-N 2.88Å
142	Y	52.1	Low	52.1	Low	221 Å²	221	161.9 Å²	161.9	87%	0.867	79%	0.791	S	S	*	*			trans	-71.6	111.2	173.3	-94	-99.6	0	0	0	109.5	N140 E144	N140-Y142 PolarHBondContact O-N 3.16Å; Y142-E144 PolarHBondContact O-N 3.19Å
143	H	55.3	Low	52.9	Low	143 Å²	143	162.2 Å²	162.2	66%	0.662	79%	0.794	S	S	*	*			trans	-79.2	93.2	171.8	-167.8	-60.4	0	0	0	109.5	E141 Y145	E141-H143 PolarHBondContact O-N 2.88Å; H143-Y145 AromaticContact ND1-CE2 3.98Å; H143-Y145 PolarHBondContact O-N 3.25Å
144	E	54.3	Low	52.5	Low	146 Å²	146	160.6 Å²	160.6	68%	0.682	79%	0.794	S	S	*	*			trans	-68.4	120.4	169	-77.1	-174.7	165.4	0	0	110	Y142	Y142-E144 PolarHBondContact O-N 3.19Å
145	Y	62.2	Low	52.7	Low	202 Å²	202	154.4 Å²	154.4	79%	0.792	79%	0.785	S	S	*	*			trans	-81.5	115	168.3	-73.2	-87.4	0	0	0	108.8	H143 D147	H143-Y145 AromaticContact ND1-CE2 3.98Å; H143-Y145 PolarHBondContact O-N 3.25Å; Y145-D147 PolarHBondContact O-N 3.01Å
146	Y	56.9	Low	52.5	Low	186 Å²	186	154.4 Å²	154.4	73%	0.729	79%	0.786	S	S	*	*			trans	-73.4	117.6	166.5	-70.1	-90.2	0	0	0	108.8	D148	Y146-D148 PolarHBondContact O-N 3.36Å
147	D	57.9	Low	52.7	Low	143 Å²	143	152.3 Å²	152.3	77%	0.765	78%	0.782	S	S	*	*			trans	-87.2	81.2	169.7	-169.5	10.1	0	0	0	108.6	Y145 N149	Y145-D147 PolarHBondContact O-N 3.01Å; D147-N149 VanDerWaalsContact C-N 3.31Å; D147-N149 PolarHBondContact O-N 3.44Å; D147-N149 VanDerWaalsContact O-N 3.08Å
148	D	55.5	Low	52.9	Low	148 Å²	148	152.2 Å²	152.2	79%	0.791	78%	0.782	S	S	*	*			trans	-73.6	84.1	169.5	-76.9	-20.2	0	0	0	108.8	Y146	Y146-D148 PolarHBondContact O-N 3.36Å
149	N	57.8	Low	52.7	Low	123 Å²	123	153 Å²	153	66%	0.658	79%	0.785	S	S	*	*			trans	-128.9	68.2	170.1	-114.9	-20.2	0	0	0	111.6	D147 N151	D147-N149 VanDerWaalsContact C-N 3.31Å; D147-N149 PolarHBondContact O-N 3.44Å; D147-N149 VanDerWaalsContact O-N 3.08Å; N149-N151 VanDerWaalsContact C-N 3.34Å; N149-N151 PolarHBondContact O-N 3.43Å; N149-N151 VanDerWaalsContact O-N 3.11Å
150	D	54.5	Low	52.9	Low	163 Å²	163	153.9 Å²	153.9	87%	0.872	78%	0.784	S	S	*	*			trans	-67.6	90.2	155	-78.6	-28.2	0	0	0	109
151	N	59.4	Low	52.7	Low	146 Å²	146	155.7 Å²	155.7	78%	0.781	79%	0.788	S	S	*	*			trans	-144	90.1	157.6	-92.3	-38.3	0	0	0	111.1	N149 D153	N149-N151 VanDerWaalsContact C-N 3.34Å; N149-N151 PolarHBondContact O-N 3.43Å; N149-N151 VanDerWaalsContact O-N 3.11Å; N151-D153 PolarHBondContact O-N 2.89Å
152	N	52.6	Low	52.3	Low	171 Å²	171	152.8 Å²	152.8	91%	0.914	79%	0.788	S	S	*	*			trans	-60.6	103.8	159.2	-179.2	44.6	0	0	0	110.2
153	D	54.2	Low	52.3	Low	146 Å²	146	150.8 Å²	150.8	78%	0.781	79%	0.792	S	S	*	*			trans	-157.7	123	160	-175.1	-12.2	0	0	0	108.7	N151	N151-D153 PolarHBondContact O-N 2.89Å
154	G	40.9	Very low	51.9	Low	74 Å²	74	154.1 Å²	154.1	76%	0.763	80%	0.798	S	S	*	*			trans	-75.5	125.2	179.3	0	0	0	0	0	110.7
155	G	45.5	Very low	51.6	Low	61 Å²	61	154.2 Å²	154.2	63%	0.629	80%	0.804	S	S	*	*			trans	-154.6	122.7	172.8	0	0	0	0	0	111	I157	G155-I157 PolarHBondContact O-N 2.99Å
156	D	43.7	Very low	51.2	Low	161 Å²	161	151.2 Å²	151.2	86%	0.861	81%	0.806	S	S	*	*			trans	-43.1	117.1	174.1	-71.8	-44.5	0	0	0	112.4	Q158	D156-Q158 PolarHBondContact O-N 3.28Å
157	I	52.4	Low	50.9	Low	150 Å²	150	149.2 Å²	149.2	77%	0.769	81%	0.808	S	S	*	*			trans	-96	95.8	168.7	-50.3	174.2	0	0	0	107.5	G155 L159	G155-I157 PolarHBondContact O-N 2.99Å; I157-L159 PolarHBondContact O-N 3.19Å; I157-L159 VanDerWaalsContact O-N 3.14Å
158	Q	47.5	Very low	50.9	Low	180 Å²	180	150.6 Å²	150.6	84%	0.841	81%	0.812	S	S	*	*			trans	-61.7	107.6	165.5	-65.8	-179.1	-2.9	0	0	108.2	D156 E160	D156-Q158 PolarHBondContact O-N 3.28Å; Q158-E160 VanDerWaalsContact C-N 3.31Å; Q158-E160 PolarHBondContact O-N 3.35Å
159	L	46.7	Very low	50.7	Low	162 Å²	162	152.4 Å²	152.4	85%	0.848	82%	0.815	S	S	*	*			trans	-97.1	53.6	-176.1	-144.3	141	0	0	0	110	I157	I157-L159 PolarHBondContact O-N 3.19Å; I157-L159 VanDerWaalsContact O-N 3.14Å
160	E	49.3	Very low	50.3	Low	174 Å²	174	154.9 Å²	154.9	81%	0.813	82%	0.822	S	S	*	*			trans	-141.1	104.4	171	-75.2	-170.9	172.6	0	0	107.5	Q158	Q158-E160 VanDerWaalsContact C-N 3.31Å; Q158-E160 PolarHBondContact O-N 3.35Å
161	E	52	Low	50.2	Low	183 Å²	183	155.8 Å²	155.8	86%	0.855	82%	0.822	S	S	*	*	S	Bend	trans	158.2	-10.8	143.5	-87.4	-175	156.4	0	0	115.5	L163	E161-L163 PolarHBondContact O-N 3.34Å
162	S	48.1	Very low	49.7	Very low	125 Å²	125	157.9 Å²	157.9	87%	0.874	83%	0.827	S	S	*	*			trans	-84.9	14.9	-172.7	-60.1	0	0	0	0	117.2	R164	S162-R164 PolarHBondContact O-N 3.41Å; S162-R164 VanDerWaalsContact O-N 3.14Å
163	L	51.2	Low	49.6	Very low	180 Å²	180	159.8 Å²	159.8	94%	0.942	82%	0.821	S	S	*	*			trans	-85.8	46.3	174.1	-70.5	179.1	0	0	0	113.2	E161	E161-L163 PolarHBondContact O-N 3.34Å
164	R	48	Very low	49.4	Very low	213 Å²	213	161.7 Å²	161.7	80%	0.804	83%	0.825	S	S	*	*	S	Bend	trans	-130.2	113.5	170.9	-68.7	-170.6	-167.6	-106.8	2.8	110.9	S162	S162-R164 PolarHBondContact O-N 3.41Å; S162-R164 VanDerWaalsContact O-N 3.14Å
165	N	47.4	Very low	50.2	Low	148 Å²	148	165.1 Å²	165.1	79%	0.791	82%	0.822	S	S	*	*			trans	78.8	76.2	155.1	-44.8	-12.8	0	0	0	116
166	V	54	Low	50.5	Low	138 Å²	138	170.6 Å²	170.6	84%	0.836	83%	0.831	S	S	*	*			trans	-100.4	96.8	149.7	-178.4	0	0	0	0	106.3	M168	V166-M168 PolarHBondContact O-N 3.28Å
167	D	49.9	Very low	51.1	Low	144 Å²	144	168.8 Å²	168.8	77%	0.77	82%	0.821	S	S	*	*			trans	-61	111.6	168.1	-89.1	-37.4	0	0	0	108.4	E169	D167-E169 PolarHBondContact O-N 3.27Å
168	M	57.4	Low	51.3	Low	173 Å²	173	168.3 Å²	168.3	85%	0.852	82%	0.82	S	S	*	*			trans	-84	80	168.5	-79.2	-172.2	-68.1	0	0	108.9	V166 H170	V166-M168 PolarHBondContact O-N 3.28Å; M168-H170 VanDerWaalsContact C-N 3.33Å; M168-H170 PolarHBondContact O-N 2.96Å
169	E	51.8	Low	51.6	Low	186 Å²	186	164.9 Å²	164.9	87%	0.869	81%	0.808	S	S	*	*			trans	-83.8	83.6	157.4	-67.5	-168.7	175.2	0	0	107.8	D167	D167-E169 PolarHBondContact O-N 3.27Å
170	H	49.5	Very low	51.8	Low	174 Å²	174	163 Å²	163	81%	0.806	80%	0.803	S	S	*	*			trans	-91.8	103.3	170.3	-146	-61.2	0	0	0	108	M168 E172	M168-H170 VanDerWaalsContact C-N 3.33Å; M168-H170 PolarHBondContact O-N 2.96Å; H170-E172 PolarHBondContact O-N 2.89Å
171	E	52.8	Low	52.1	Low	183 Å²	183	161.6 Å²	161.6	86%	0.855	80%	0.8	S	S	*	*			trans	-58.7	116.9	171.3	-134.5	170.8	-171.1	0	0	108.4	R173	E171-R173 PolarHBondContact O-N 2.72Å
172	E	48.6	Very low	52.3	Low	190 Å²	190	160.5 Å²	160.5	89%	0.888	79%	0.794	S	S	*	*			trans	-69.1	93.4	176.1	-69.8	-176.4	165.3	0	0	109	H170	H170-E172 PolarHBondContact O-N 2.89Å
173	R	51.8	Low	52.6	Low	210 Å²	210	161.6 Å²	161.6	79%	0.792	79%	0.791	S	S	*	*			trans	-88.5	107.1	166.6	-156	176.1	-145.8	-127.3	2.7	108	E171 E175	E171-R173 PolarHBondContact O-N 2.72Å; R173-E175 VanDerWaalsContact C-N 3.35Å; R173-E175 PolarHBondContact O-N 3.26Å
174	E	50	Low	52.7	Low	186 Å²	186	159.5 Å²	159.5	87%	0.869	78%	0.78	S	S	*	*			trans	-62.3	92.1	170.8	-64.5	-176.2	167.7	0	0	109.4
175	E	57.3	Low	53.3	Low	147 Å²	147	158.3 Å²	158.3	69%	0.687	78%	0.784	S	S	*	*			trans	-91.4	114.6	161.8	-70.7	-168.3	175.9	0	0	108	R173 D177	R173-E175 VanDerWaalsContact C-N 3.35Å; R173-E175 PolarHBondContact O-N 3.26Å; E175-D177 VanDerWaalsContact C-N 3.26Å; E175-D177 PolarHBondContact O-N 2.87Å
176	E	52.4	Low	53.9	Low	175 Å²	175	160 Å²	160	82%	0.818	78%	0.784	S	S	*	*			trans	-59.9	87.4	172.7	-69.5	179.3	162.9	0	0	109.6	N178	E176-N178 VanDerWaalsContact C-N 3.32Å; E176-N178 PolarHBondContact O-N 2.77Å
177	D	54.3	Low	54	Low	123 Å²	123	162.8 Å²	162.8	66%	0.658	78%	0.781	S	S	*	*			trans	-71.6	89.1	179.4	-133	4.3	0	0	0	108.5	E175 N179	E175-D177 VanDerWaalsContact C-N 3.26Å; E175-D177 PolarHBondContact O-N 2.87Å; D177-N179 PolarHBondContact O-N 3.38Å; D177-N179 PolarHBondContact OD1-OD1 3.29Å; D177-N179 PolarHBondContact OD2-ND2 2.71Å
178	N	58.5	Low	54.4	Low	141 Å²	141	161.9 Å²	161.9	75%	0.754	78%	0.781	S	S	*	*			trans	-68.3	49.6	170.1	-76.3	-53.4	0	0	0	111.2	E176 T180	E176-N178 VanDerWaalsContact C-N 3.32Å; E176-N178 PolarHBondContact O-N 2.77Å; N178-T180 PolarHBondContact O-N 3.38Å
179	N	53.6	Low	54.1	Low	108 Å²	108	156.8 Å²	156.8	58%	0.578	76%	0.757	S	S	*	*			trans	-71.9	79.4	178.5	-73.6	-15.1	0	0	0	109.5	D177 I181	D177-N179 PolarHBondContact O-N 3.38Å; D177-N179 PolarHBondContact OD1-OD1 3.29Å; D177-N179 PolarHBondContact OD2-ND2 2.71Å; N179-I181 PolarHBondContact O-N 2.82Å
180	T	49.8	Very low	54.4	Low	122 Å²	122	159 Å²	159	75%	0.748	76%	0.757	S	S	*	*			trans	-53.6	106	157	-60.4	0	0	0	0	106.2	N178 Q182	N178-T180 PolarHBondContact O-N 3.38Å; T180-Q182 VanDerWaalsContact C-N 3.26Å; T180-Q182 PolarHBondContact O-N 2.94Å
181	I	55.2	Low	54.9	Low	145 Å²	145	159.1 Å²	159.1	74%	0.744	76%	0.756	S	S	*	*			trans	-56.6	98.4	171.8	-63.2	170.7	0	0	0	105.6	N179 N183	N179-I181 PolarHBondContact O-N 2.82Å; I181-N183 PolarHBondContact O-N 3.14Å; I181-N183 VanDerWaalsContact O-N 3.1Å
182	Q	56.5	Low	55.2	Low	160 Å²	160	156.2 Å²	156.2	75%	0.748	75%	0.745	S	S	*	*			trans	-61.5	117.5	169.6	-68.2	-172.5	-14.3	0	0	105	T180 D184	T180-Q182 VanDerWaalsContact C-N 3.26Å; T180-Q182 PolarHBondContact O-N 2.94Å; Q182-D184 PolarHBondContact O-N 3.23Å
183	N	54.2	Low	55.5	Low	148 Å²	148	156.8 Å²	156.8	79%	0.791	75%	0.745	S	S	*	*			trans	-62.9	91.2	172.1	-70.4	-62.5	0	0	0	106.6	I181 E185	I181-N183 PolarHBondContact O-N 3.14Å; I181-N183 VanDerWaalsContact O-N 3.1Å; N183-E185 PolarHBondContact O-N 3.47Å
184	D	54.7	Low	55.8	Low	136 Å²	136	155 Å²	155	73%	0.727	75%	0.745	S	S	*	*			trans	-52.1	116.3	170.2	-83.3	-20.8	0	0	0	106.9	Q182 F186	Q182-D184 PolarHBondContact O-N 3.23Å; D184-F186 PolarHBondContact O-N 2.97Å
185	E	61	Low	56	Low	188 Å²	188	151.8 Å²	151.8	88%	0.879	73%	0.733	S	S	*	*			trans	-47.5	106.3	-180	-147.6	170.5	-156.3	0	0	108	N183 Y187	N183-E185 PolarHBondContact O-N 3.47Å; E185-Y187 PolarHBondContact O-N 2.7Å
186	F	59.2	Low	56	Low	183 Å²	183	149.1 Å²	149.1	80%	0.803	75%	0.746	S	S	*	*			trans	-55.8	112	179.9	-77.8	-88.5	0	0	0	107.7	D184 T188	D184-F186 PolarHBondContact O-N 2.97Å; F186-T188 PolarHBondContact O-N 2.75Å
187	Y	56.9	Low	56.5	Low	197 Å²	197	148.9 Å²	148.9	77%	0.773	74%	0.742	S	S	*	*			trans	-63.1	89.9	173.2	-175.7	-95.4	0	0	0	108.6	E185 N189	E185-Y187 PolarHBondContact O-N 2.7Å; Y187-N189 VanDerWaalsContact C-N 3.33Å; Y187-N189 HydrophobicContact CD1-CB 3.9Å; Y187-N189 HydrophobicContact CE1-CB 3.6Å; Y187-N189 PolarHBondContact O-N 2.96Å
188	T	57.3	Low	57.4	Low	125 Å²	125	151.8 Å²	151.8	77%	0.767	75%	0.751	S	S	*	*			trans	-74.1	94.4	169.1	49.8	0	0	0	0	107.3	F186 R190	F186-T188 PolarHBondContact O-N 2.75Å; T188-R190 PolarHBondContact O-N 2.8Å
189	N	51.4	Low	57.8	Low	65 Å²	65	151.3 Å²	151.3	35%	0.348	74%	0.743	S	S	.	*			trans	-58.7	111.7	179.5	-168	-16.4	0	0	0	109	Y187 K191 I192	Y187-N189 VanDerWaalsContact C-N 3.33Å; Y187-N189 HydrophobicContact CD1-CB 3.9Å; Y187-N189 HydrophobicContact CE1-CB 3.6Å; Y187-N189 PolarHBondContact O-N 2.96Å; N189-K191 PolarHBondContact O-N 3.47Å; N189-I192 HydrophobicContact CB-CD1 3.55Å; N189-I192 HydrophobicContact CB-CG1 3.81Å; N189-I192 WeakPolarHBondContact O-CG1 3.29Å; N189-I192 PolarHBondContact O-N 2.78Å
190	R	57.9	Low	58.4	Low	232 Å²	232	149.7 Å²	149.7	88%	0.875	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-55.6	-21.8	-172.7	-169.3	176.3	-177.3	176.3	2.9	113.5	T188	T188-R190 PolarHBondContact O-N 2.8Å
191	K	60.7	Low	59.2	Low	177 Å²	177	150 Å²	150	77%	0.77	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-76.3	-17.5	178.9	-66.1	-177.7	179.5	178.7	0	114.4	N189 K193	N189-K191 PolarHBondContact O-N 3.47Å; K191-K193 VanDerWaalsContact C-N 3.29Å
192	I	57.7	Low	59.8	Low	122 Å²	122	150.3 Å²	150.3	63%	0.626	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-79.4	-17.3	-177.4	-42	165.9	0	0	0	111.2	N189 E194	N189-I192 HydrophobicContact CB-CD1 3.55Å; N189-I192 HydrophobicContact CB-CG1 3.81Å; N189-I192 WeakPolarHBondContact O-CG1 3.29Å; N189-I192 PolarHBondContact O-N 2.78Å; I192-E194 PolarHBondContact O-N 3.08Å
193	K	55.9	Low	60.4	Low	203 Å²	203	147.2 Å²	147.2	88%	0.883	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-76.2	-1.1	-176.7	-149.3	173.4	-176.2	176.1	0	114.3	K191	K191-K193 VanDerWaalsContact C-N 3.29Å
194	E	57.7	Low	61.2	Low	173 Å²	173	145.8 Å²	145.8	81%	0.808	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-109.9	3.8	-169.4	-140.3	171.5	-160.3	0	0	114.6	I192	I192-E194 PolarHBondContact O-N 3.08Å
195	L	53.6	Low	62	Low	117 Å²	117	144.3 Å²	144.3	61%	0.613	70%	0.701	S	S	*	*			trans	-114	96.4	171	-61.8	173.2	0	0	0	107.2	K197 F199	L195-K197 PolarHBondContact O-N 2.9Å; L195-F199 HydrophobicContact CB-CE2 4.21Å; L195-F199 HydrophobicContact CD1-CE2 3.72Å; L195-F199 HydrophobicContact CD1-CZ 4.15Å
196	G	57.2	Low	62.1	Low	92 Å²	92	138.2 Å²	138.2	95%	0.948	69%	0.688	S	S	*	*			trans	-66.8	38.2	174.8	0	0	0	0	0	113.9
197	K	63.7	Low	62	Low	170 Å²	170	135.7 Å²	135.7	74%	0.739	68%	0.678	S	S	*	*	S	Bend	trans	-137.1	117.3	175	-68.3	-173.5	177.9	-173.7	0	106.7	L195 F199	L195-K197 PolarHBondContact O-N 2.9Å; K197-F199 PolarHBondContact O-N 3.21Å
198	E	72	Confident	62	Low	183 Å²	183	137.3 Å²	137.3	86%	0.855	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-59	124	167.8	55.2	-162.5	167.7	0	0	109.4
199	F	66.8	Low	61.8	Low	131 Å²	131	136.6 Å²	136.6	58%	0.575	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-90	123.3	169.2	-75	-95.1	0	0	0	107.7	L195 K197 D203	L195-F199 HydrophobicContact CB-CE2 4.21Å; L195-F199 HydrophobicContact CD1-CE2 3.72Å; L195-F199 HydrophobicContact CD1-CZ 4.15Å; K197-F199 PolarHBondContact O-N 3.21Å; F199-D203 HydrophobicContact CD1-CB 3.94Å
200	T	66.7	Low	61.9	Low	74 Å²	74	138.8 Å²	138.8	45%	0.454	70%	0.696	S	S	.	*	P	Polyproline II helix	trans	-81.6	156.7	170.6	58.6	0	0	0	0	110.2	K202 D203 I204	T200-K202 PolarHBondContact O-N 2.73Å; T200-D203 PolarHBondContact N-OD2 2.75Å; T200-D203 WeakPolarHBondContact O-CA 3.36Å; T200-D203 VanDerWaalsContact O-CB 3.32Å; T200-D203 WeakPolarHBondContact O-CB 3.3Å; T200-D203 PolarHBondContact O-N 2.91Å; T200-D203 PolarHBondContact OG1-OD2 2.73Å; T200-I204 PolarHBondContact O-N 3.11Å
201	L	68	Low	61.6	Low	129 Å²	129	136 Å²	136	68%	0.675	69%	0.693	S	S	*	*	H	α-helix	trans	-53.6	-27.9	172.7	-74.2	169.9	0	0	0	112.1	D203 I204 L205	L201-D203 VanDerWaalsContact C-N 3.3Å; L201-D203 PolarHBondContact O-N 3.25Å; L201-I204 PolarHBondContact O-N 3.3Å; L201-L205 HydrophobicContact CB-CD1 4.26Å; L201-L205 VanDerWaalsContact O-CB 3.27Å; L201-L205 WeakPolarHBondContact O-CB 3.23Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.47Å
202	K	67.5	Low	61.1	Low	151 Å²	151	135.1 Å²	135.1	66%	0.657	70%	0.696	S	S	*	*	H	α-helix	trans	-62.2	-35.5	174	-164.8	173.9	-178.8	-179.8	0	112.6	T200	T200-K202 PolarHBondContact O-N 2.73Å
203	D	68.4	Low	60.8	Low	95 Å²	95	137 Å²	137	51%	0.508	70%	0.702	S	S	.	*	H	α-helix	trans	-72.3	-33.9	176.7	-57.4	-53	0	0	0	112	F199 T200 L201	F199-D203 HydrophobicContact CD1-CB 3.94Å; T200-D203 PolarHBondContact N-OD2 2.75Å; T200-D203 WeakPolarHBondContact O-CA 3.36Å; T200-D203 VanDerWaalsContact O-CB 3.32Å; T200-D203 WeakPolarHBondContact O-CB 3.3Å; T200-D203 PolarHBondContact O-N 2.91Å; T200-D203 PolarHBondContact OG1-OD2 2.73Å; L201-D203 VanDerWaalsContact C-N 3.3Å; L201-D203 PolarHBondContact O-N 3.25Å
204	I	70.6	Confident	60.7	Low	119 Å²	119	132.5 Å²	132.5	61%	0.61	69%	0.692	S	S	*	*	H	α-helix	trans	-78.7	-43.8	-179	-58.8	173.1	0	0	0	110.9	T200 L201 G206	T200-I204 PolarHBondContact O-N 3.11Å; L201-I204 PolarHBondContact O-N 3.3Å; I204-G206 PolarHBondContact O-N 3.18Å
205	L	72.7	Confident	60.3	Low	105 Å²	105	130.3 Å²	130.3	55%	0.55	69%	0.686	S	S	.	*	S	Bend	trans	-81.2	-1.4	-172.7	-65.7	170.9	0	0	0	113.4	L201 H207	L201-L205 HydrophobicContact CB-CD1 4.26Å; L201-L205 VanDerWaalsContact O-CB 3.27Å; L201-L205 WeakPolarHBondContact O-CB 3.23Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.47Å; L205-H207 PolarHBondContact O-CD2 2.65Å; L205-H207 PolarHBondContact O-N 3.08Å
206	G	62.1	Low	60.3	Low	60 Å²	60	131.3 Å²	131.3	62%	0.619	69%	0.692	S	S	*	*			trans	62.1	9.3	170.2	0	0	0	0	0	115.1	I204 R208	I204-G206 PolarHBondContact O-N 3.18Å; G206-R208 PolarHBondContact O-N 2.84Å
207	H	57.1	Low	60.2	Low	129 Å²	129	132.7 Å²	132.7	60%	0.597	68%	0.676	S	S	*	*			trans	-78.7	75.7	176.9	-63.3	-58.3	0	0	0	109.4	L205 V209	L205-H207 PolarHBondContact O-CD2 2.65Å; L205-H207 PolarHBondContact O-N 3.08Å; H207-V209 PolarHBondContact O-N 3.01Å
208	R	57.2	Low	59.9	Low	231 Å²	231	133.1 Å²	133.1	87%	0.872	68%	0.678	S	S	*	*			trans	-62.6	93.7	141.4	-64.5	-176.3	-175.5	-162.3	-0.3	104.8	G206 P210	G206-R208 PolarHBondContact O-N 2.84Å; R208-P210 WeakPolarHBondContact O-CD 3.49Å; R208-P210 VanDerWaalsContact O-N 3.1Å
209	V	52	Low	59.2	Low	110 Å²	110	130.9 Å²	130.9	67%	0.667	67%	0.672	S	S	*	*			trans	-53.7	111.7	153.1	176.5	0	0	0	0	103.2	H207 E211	H207-V209 PolarHBondContact O-N 3.01Å; V209-E211 PolarHBondContact O-N 3.23Å
210	P	54.6	Low	58.8	Low	111 Å²	111	131.1 Å²	131.1	72%	0.721	68%	0.679	S	S	*	*			trans	-53.1	120	166	-17.3	31.6	0	0	0	104.1	R208 L212	R208-P210 WeakPolarHBondContact O-CD 3.49Å; R208-P210 VanDerWaalsContact O-N 3.1Å; P210-L212 PolarHBondContact O-N 2.78Å
211	E	52.3	Low	58.5	Low	174 Å²	174	136 Å²	136	81%	0.813	70%	0.697	S	S	*	*			trans	-45.9	114.6	171.4	-67	172.7	178.4	0	0	105.2	V209 E213	V209-E211 PolarHBondContact O-N 3.23Å; E211-E213 PolarHBondContact O-N 3.11Å
212	L	49.3	Very low	58.2	Low	159 Å²	159	137.1 Å²	137.1	83%	0.832	70%	0.704	S	S	*	*			trans	-56	100	149	-88.2	149.7	0	0	0	101.4	P210 T214	P210-L212 PolarHBondContact O-N 2.78Å; L212-T214 PolarHBondContact O-N 3.3Å
213	E	51	Low	58	Low	161 Å²	161	138.7 Å²	138.7	75%	0.752	72%	0.715	S	S	*	*			trans	-49.2	94.5	154.8	-73.3	168.9	168.3	0	0	103.1	E211 D215	E211-E213 PolarHBondContact O-N 3.11Å; E213-D215 PolarHBondContact O-N 3.08Å
214	T	53.8	Low	57.2	Low	109 Å²	109	136.7 Å²	136.7	67%	0.669	72%	0.717	S	S	*	*			trans	-61	97.3	151.6	49.8	0	0	0	0	101.2	L212 N216	L212-T214 PolarHBondContact O-N 3.3Å; T214-N216 PolarHBondContact O-N 2.65Å
215	D	50.1	Low	56.4	Low	126 Å²	126	140.1 Å²	140.1	67%	0.674	73%	0.73	S	S	*	*			trans	-46.4	101.5	154.5	-83	-28.2	0	0	0	103.8	E213 I217	E213-D215 PolarHBondContact O-N 3.08Å; D215-I217 HydrophobicContact CB-CG1 3.92Å; D215-I217 PolarHBondContact O-N 2.96Å
216	N	53.6	Low	55.5	Low	138 Å²	138	142.8 Å²	142.8	74%	0.738	75%	0.745	S	S	*	*			trans	-64.9	81.5	156.9	-75.6	-48.8	0	0	0	102.9	T214 K218	T214-N216 PolarHBondContact O-N 2.65Å; N216-K218 PolarHBondContact O-N 3.25Å
217	I	55.7	Low	54.8	Low	122 Å²	122	152.8 Å²	152.8	63%	0.626	78%	0.776	S	S	*	*			trans	-61.5	87.2	159.4	-60.5	177.3	0	0	0	103.2	D215 D219	D215-I217 HydrophobicContact CB-CG1 3.92Å; D215-I217 PolarHBondContact O-N 2.96Å; I217-D219 HydrophobicContact CG2-CB 3.46Å; I217-D219 VanDerWaalsContact CG2-CB 3.46Å; I217-D219 VanDerWaalsContact CG2-OD2 3.27Å; I217-D219 WeakPolarHBondContact CG2-OD2 3.48Å; I217-D219 PolarHBondContact O-N 3.47Å; I217-D219 VanDerWaalsContact O-N 3.1Å
218	K	57.4	Low	54.7	Low	178 Å²	178	154 Å²	154	77%	0.774	79%	0.785	S	S	*	*			trans	-74.7	69	152	-70.1	-177.1	177.5	-178.3	0	105.2	N216	N216-K218 PolarHBondContact O-N 3.25Å
219	D	56.7	Low	54.6	Low	137 Å²	137	149.9 Å²	149.9	73%	0.733	78%	0.78	S	S	*	*			trans	-95.2	91.2	157.7	-74.8	-15.9	0	0	0	105.1	I217	I217-D219 HydrophobicContact CG2-CB 3.46Å; I217-D219 VanDerWaalsContact CG2-CB 3.46Å; I217-D219 VanDerWaalsContact CG2-OD2 3.27Å; I217-D219 WeakPolarHBondContact CG2-OD2 3.48Å; I217-D219 PolarHBondContact O-N 3.47Å; I217-D219 VanDerWaalsContact O-N 3.1Å
220	D	59.1	Low	54.7	Low	136 Å²	136	152.2 Å²	152.2	73%	0.727	79%	0.787	S	S	*	*			trans	-0.9	149	138.9	-58.8	-36.5	0	0	0	117
221	E	59.7	Low	54.7	Low	177 Å²	177	154.6 Å²	154.6	83%	0.827	79%	0.79	S	S	*	*			trans	98.1	92.6	152.5	-43.8	-154.9	161.5	0	0	117.7
222	D	61.2	Low	54.9	Low	152 Å²	152	153.4 Å²	153.4	81%	0.813	79%	0.789	S	S	*	*				57.8	70.4	117.2	-154.4	20.1	0	0	0	116.9	G224	D222-G224 VanDerWaalsContact C-N 3.35Å; D222-G224 PolarHBondContact O-N 3.1Å
223	M	62.9	Low	55.3	Low	183 Å²	183	153 Å²	153	90%	0.901	79%	0.786	S	S	*	*			trans	-84.3	87.8	158.5	-67	-65.7	-92.4	0	0	108.5	H225	M223-H225 PolarHBondContact O-N 2.68Å
224	G	53.3	Low	55.6	Low	53 Å²	53	152.4 Å²	152.4	55%	0.546	79%	0.789	S	S	.	*			trans	-50.1	130	173	0	0	0	0	0	112.3	D222 N226	D222-G224 VanDerWaalsContact C-N 3.35Å; D222-G224 PolarHBondContact O-N 3.1Å; G224-N226 PolarHBondContact O-N 2.92Å
225	H	52.4	Low	55.7	Low	192 Å²	192	155.8 Å²	155.8	89%	0.889	80%	0.798	S	S	*	*			trans	-63.9	119.2	159.2	-75	-74.7	0	0	0	108.7	M223	M223-H225 PolarHBondContact O-N 2.68Å
226	N	54.4	Low	56.2	Low	161 Å²	161	158.3 Å²	158.3	86%	0.861	81%	0.808	S	S	*	*			trans	-114.8	124.5	157.3	-74.5	-35.4	0	0	0	108.1	G224	G224-N226 PolarHBondContact O-N 2.92Å
227	E	48	Very low	56.4	Low	270 Å²	270	160.1 Å²	160.1	100%	1.262	81%	0.814	S	S	*	*			trans	-54.2	0	155.5	-85	176.8	141.1	0	0	112.2

Retrieved 227 of 227 residues in 43.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).