A0A3Q0KLZ8_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 306 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	52.3	Low	62.5	Low	243 Å²	243	141.3 Å²	141.3	100%	1.197	77%	0.769	S	S	*	*				0	138.2	0	-76.3	166.6	75.8	0	0	108
2	I	56.6	Low	61.3	Low	157 Å²	157	144.5 Å²	144.5	81%	0.805	77%	0.771	S	S	*	*			trans	-82.9	141.4	-146.3	-61.8	166.2	0	0	0	112.5
3	P	64.8	Low	60.2	Low	102 Å²	102	142.5 Å²	142.5	66%	0.662	78%	0.775	S	S	*	*			trans	-90.7	145.5	170.5	36.1	-29.7	0	0	0	111.1
4	V	73.2	Confident	59.3	Low	129 Å²	129	140.5 Å²	140.5	78%	0.782	77%	0.77	S	S	*	*			trans	-121.2	103.1	173.3	-178.3	0	0	0	0	109.1
5	H	65	Low	58.7	Low	171 Å²	171	139.9 Å²	139.9	79%	0.792	77%	0.772	S	S	*	*			trans	-87.5	133.2	162.3	-70.5	-84.5	0	0	0	108.5
6	S	68.4	Low	58.3	Low	108 Å²	108	140.6 Å²	140.6	76%	0.755	77%	0.774	S	S	*	*			trans	-115.5	101.1	167.6	-57.5	0	0	0	0	109.1
7	T	65.2	Low	58	Low	117 Å²	117	139 Å²	139	72%	0.718	78%	0.776	S	S	*	*			trans	-85.3	121.7	169.6	-59.1	0	0	0	0	108.3	T9	T7-T9 HydrophobicContact CG2-CG2 3.96Å
8	I	62.9	Low	57.4	Low	147 Å²	147	141.7 Å²	141.7	75%	0.754	78%	0.781	S	S	*	*			trans	-113.9	103.8	167.5	-62	176.7	0	0	0	107.3
9	T	63	Low	57	Low	92 Å²	92	141.4 Å²	141.4	56%	0.564	79%	0.789	S	S	*	*			trans	-99.3	111	170.5	42.1	0	0	0	0	108.9	T7	T7-T9 HydrophobicContact CG2-CG2 3.96Å
10	N	60.9	Low	56.4	Low	133 Å²	133	144.2 Å²	144.2	71%	0.711	80%	0.795	S	S	*	*			trans	-103.6	106.7	168.3	-87.3	-29	0	0	0	109.4
11	H	55.2	Low	56	Low	155 Å²	155	140.3 Å²	140.3	72%	0.718	79%	0.788	S	S	*	*			trans	-95.7	104.8	169.2	-52.9	-74.3	0	0	0	108.2
12	F	48.4	Very low	55.8	Low	180 Å²	180	138.4 Å²	138.4	79%	0.789	77%	0.774	S	S	*	*			trans	-112.5	92.4	165.8	-86.3	-81	0	0	0	109.2
13	S	46.5	Very low	55.4	Low	118 Å²	118	137.5 Å²	137.5	83%	0.825	78%	0.775	S	S	*	*			trans	-81.9	115.5	160.9	-65.4	0	0	0	0	107.7
14	T	48.4	Very low	55	Low	115 Å²	115	138.5 Å²	138.5	71%	0.706	78%	0.78	S	S	*	*			trans	-111.9	101.3	173.5	-18.8	0	0	0	0	108.2
15	T	50.4	Low	54.2	Low	131 Å²	131	136.8 Å²	136.8	80%	0.804	77%	0.773	S	S	*	*			trans	-80.5	114.2	165.8	48.5	0	0	0	0	108
16	N	51.6	Low	53.3	Low	151 Å²	151	136.6 Å²	136.6	81%	0.807	78%	0.778	S	S	*	*			trans	-99.2	104.6	168	-74	-23.6	0	0	0	108
17	S	53.4	Low	52.9	Low	114 Å²	114	138.6 Å²	138.6	80%	0.797	78%	0.779	S	S	*	*			trans	-75.7	153.2	169.4	65	0	0	0	0	111.2
18	E	46.4	Very low	52.1	Low	188 Å²	188	142.6 Å²	142.6	88%	0.879	79%	0.786	S	S	*	*			trans	-60	150.6	179.2	-67.1	155.9	144.7	0	0	113.5
19	C	50.3	Low	52	Low	136 Å²	136	140.5 Å²	140.5	92%	0.919	78%	0.78	S	S	*	*			trans	-137.5	77.3	163.2	-162.2	0	0	0	0	106.7
20	E	45.7	Very low	51.9	Low	197 Å²	197	143 Å²	143	92%	0.921	79%	0.785	S	S	*	*			trans	-104.9	126.1	162.2	-71.6	-142.4	165.5	0	0	108.7
21	G	47.4	Very low	51.6	Low	63 Å²	63	142 Å²	142	65%	0.649	79%	0.786	S	S	*	*			trans	-175.6	77.4	-178.4	0	0	0	0	0	110.9
22	F	47.8	Very low	51.6	Low	203 Å²	203	143.8 Å²	143.8	89%	0.89	79%	0.788	S	S	*	*			trans	-134.4	100.8	157.2	-83.8	-75.5	0	0	0	109.9
23	V	48.3	Very low	51.6	Low	138 Å²	138	142.3 Å²	142.3	84%	0.836	79%	0.788	S	S	*	*			trans	-74.7	121.3	162.1	170.5	0	0	0	0	107.8
24	T	56	Low	52.2	Low	123 Å²	123	144.8 Å²	144.8	76%	0.755	79%	0.789	S	S	*	*			trans	-154.5	99.4	151.2	43.9	0	0	0	0	110.4
25	S	57.4	Low	52.5	Low	92 Å²	92	145.3 Å²	145.3	64%	0.643	79%	0.792	S	S	*	*			trans	47.2	106.5	131	53.7	0	0	0	0	120.3
26	D	45.3	Very low	52.5	Low	168 Å²	168	144.2 Å²	144.2	90%	0.898	79%	0.787	S	S	*	*			trans	8.4	106.7	133.4	-59.1	-40	0	0	0	118
27	I	60.7	Low	53.2	Low	150 Å²	150	143.2 Å²	143.2	77%	0.769	79%	0.789	S	S	*	*			trans	-132.6	99.9	154	-57	-180	0	0	0	108.5	T29	I27-T29 PolarHBondContact O-N 3.27Å
28	K	47.8	Very low	52.9	Low	201 Å²	201	143.2 Å²	143.2	87%	0.874	78%	0.784	S	S	*	*			trans	-73.5	110.7	169.4	-164	177.1	-174.5	-177.6	0	108
29	T	60.9	Low	53.1	Low	102 Å²	102	144.9 Å²	144.9	63%	0.626	78%	0.783	S	S	*	*			trans	-127.2	115.4	172.6	-42.2	0	0	0	0	109.9	I27	I27-T29 PolarHBondContact O-N 3.27Å
30	E	61.2	Low	52.8	Low	144 Å²	144	143.4 Å²	143.4	67%	0.673	77%	0.774	S	S	*	*			trans	-62.9	151.3	175.1	-75.8	-73.4	146.3	0	0	113.1
31	P	53.7	Low	53.1	Low	112 Å²	112	138.8 Å²	138.8	73%	0.727	76%	0.763	S	S	*	*			trans	-90.2	107.3	178.2	34.2	-27.2	0	0	0	111.1
32	Y	56.8	Low	53.5	Low	194 Å²	194	142.3 Å²	142.3	76%	0.761	77%	0.772	S	S	*	*			trans	-88.6	113.6	168.7	35.8	-90.6	0	0	0	111.1
33	N	47.1	Very low	53.6	Low	149 Å²	149	140 Å²	140	80%	0.797	77%	0.768	S	S	*	*			trans	-61.8	125	166.4	-70.7	-47.9	0	0	0	110.5
34	M	60.4	Low	54	Low	170 Å²	170	139 Å²	139	84%	0.837	77%	0.766	S	S	*	*			trans	-129.4	112.8	164.6	-81.7	-77.2	111.9	0	0	109.8
35	T	54.4	Low	53.8	Low	125 Å²	125	143.4 Å²	143.4	77%	0.767	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58.2	149.2	175.2	-5.7	0	0	0	0	112.4
36	P	50.9	Low	53.7	Low	109 Å²	109	146.1 Å²	146.1	71%	0.708	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-90	137.1	176.2	34.4	-29.2	0	0	0	111.2
37	P	66.1	Low	53.8	Low	130 Å²	130	143.1 Å²	143.1	84%	0.844	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-86.7	128	166	31.3	-27.1	0	0	0	110.5
38	T	46.3	Very low	53.3	Low	114 Å²	114	144.4 Å²	144.4	70%	0.699	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-89	146.6	179	-67.6	0	0	0	0	110.7
39	R	50.1	Low	53.5	Low	223 Å²	223	143.4 Å²	143.4	84%	0.842	77%	0.774	S	S	*	*			trans	89.7	124.7	149.7	-91.4	168.1	-178.6	-164	-2.9	122.2
40	S	45	Very low	53.2	Low	105 Å²	105	145.9 Å²	145.9	73%	0.734	78%	0.784	S	S	*	*			trans	70.8	136.7	136.8	-62.3	0	0	0	0	116.8
41	S	52.2	Low	52.9	Low	100 Å²	100	144.2 Å²	144.2	70%	0.699	79%	0.788	S	S	*	*			cis	-173.8	174.1	20.3	17.5	0	0	0	0	109.2
42	T	55.6	Low	53.1	Low	136 Å²	136	146.9 Å²	146.9	83%	0.834	80%	0.795	S	S	*	*			trans	81.9	100.2	161.9	66.8	0	0	0	0	119.6	S44	T42-S44 PolarHBondContact O-N 3.49Å
43	I	49.2	Very low	53.3	Low	156 Å²	156	142.9 Å²	142.9	80%	0.8	79%	0.793	S	S	*	*			trans	-52.2	121.3	159.4	-64.5	157.1	0	0	0	109.7	R45	I43-R45 HydrophobicContact CG2-CG 4.44Å
44	S	57.5	Low	53.7	Low	115 Å²	115	140.4 Å²	140.4	80%	0.804	79%	0.788	S	S	*	*			trans	-122.1	96.4	157.6	-173.9	0	0	0	0	107.9	T42 N46	T42-S44 PolarHBondContact O-N 3.49Å; S44-N46 PolarHBondContact O-N 3.44Å
45	R	50.8	Low	53.6	Low	216 Å²	216	144.4 Å²	144.4	82%	0.815	79%	0.793	S	S	*	*			trans	-71.2	117.7	159.2	-79.4	179.2	-171	138.6	2.9	105.7	I43	I43-R45 HydrophobicContact CG2-CG 4.44Å
46	N	55.2	Low	53.8	Low	149 Å²	149	149.1 Å²	149.1	80%	0.797	80%	0.797	S	S	*	*			trans	-169.4	119.8	140.7	-85.6	-23	0	0	0	109.4	S44	S44-N46 PolarHBondContact O-N 3.44Å
47	S	47.5	Very low	53.8	Low	105 Å²	105	146.6 Å²	146.6	73%	0.734	79%	0.791	S	S	*	*			trans	35	108.3	134.2	-173.7	0	0	0	0	117.2
48	M	51	Low	53.6	Low	178 Å²	178	152.6 Å²	152.6	88%	0.877	80%	0.796	S	S	*	*				-173.5	119	117.6	-82.8	-130.6	169.5	0	0	109	N50	M48-N50 PolarHBondContact O-N 3.49Å
49	M	52.2	Low	54.5	Low	179 Å²	179	158.4 Å²	158.4	88%	0.882	81%	0.806	S	S	*	*			trans	-50.5	125.2	165.7	-57.2	-170.7	144.7	0	0	108.7
50	N	54.6	Low	55.4	Low	154 Å²	154	150.6 Å²	150.6	82%	0.824	79%	0.785	S	S	*	*			trans	-178.4	109.4	149.5	-85.9	-25.6	0	0	0	110.5	M48	M48-N50 PolarHBondContact O-N 3.49Å
51	S	53.5	Low	57.1	Low	109 Å²	109	152.6 Å²	152.6	76%	0.762	79%	0.793	S	S	*	*			trans	43.9	88.4	157.8	62.7	0	0	0	0	117.5	P53	S51-P53 VanDerWaalsContact O-CD 3.31Å; S51-P53 WeakPolarHBondContact O-CD 3.44Å; S51-P53 VanDerWaalsContact O-N 3.11Å
52	L	59.7	Low	58.4	Low	168 Å²	168	152.2 Å²	152.2	88%	0.88	78%	0.782	S	S	*	*			trans	-52.4	118.2	150.5	-80	158	0	0	0	107	S54	L52-S54 PolarHBondContact O-N 3.46Å
53	P	61	Low	59.9	Low	111 Å²	111	149.5 Å²	149.5	72%	0.721	77%	0.767	S	S	*	*			trans	-60	113.2	173.2	24.4	-30.4	0	0	0	105.5	S51 R55	S51-P53 VanDerWaalsContact O-CD 3.31Å; S51-P53 WeakPolarHBondContact O-CD 3.44Å; S51-P53 VanDerWaalsContact O-N 3.11Å; P53-R55 PolarHBondContact O-N 3.38Å
54	S	55.4	Low	61.6	Low	97 Å²	97	148.1 Å²	148.1	68%	0.678	76%	0.761	S	S	*	*			trans	-41.8	107.3	170.8	-177.1	0	0	0	0	106.5	L52 R56	L52-S54 PolarHBondContact O-N 3.46Å; S54-R56 PolarHBondContact O-N 2.7Å
55	R	57.2	Low	63.1	Low	253 Å²	253	150.2 Å²	150.2	96%	0.955	76%	0.758	S	S	*	*			trans	-69.3	54.8	178.6	-79.4	-174.4	170.1	-156.8	-0.5	109.2	P53 G57	P53-R55 PolarHBondContact O-N 3.38Å; R55-G57 VanDerWaalsContact C-N 3.3Å; R55-G57 PolarHBondContact O-N 3.26Å
56	R	57.8	Low	65	Low	224 Å²	224	144.3 Å²	144.3	85%	0.845	74%	0.741	S	S	*	*			trans	-82.8	82.6	-176	-153.5	174.9	-170.4	173.8	3.2	108	S54	S54-R56 PolarHBondContact O-N 2.7Å
57	G	52.9	Low	66.7	Low	56 Å²	56	143.6 Å²	143.6	58%	0.577	73%	0.727	S	S	*	*			trans	74.8	102.2	152.3	0	0	0	0	0	115.3	R55 R59	R55-G57 VanDerWaalsContact C-N 3.3Å; R55-G57 PolarHBondContact O-N 3.26Å; G57-R59 VanDerWaalsContact C-N 3.3Å; G57-R59 PolarHBondContact O-N 2.91Å
58	R	61.6	Low	68.8	Low	256 Å²	256	141.6 Å²	141.6	97%	0.966	71%	0.708	S	S	*	*			trans	-50.7	105.5	144.5	-89.7	-175.7	170.6	-160.2	-2.7	106.5	S60	R58-S60 PolarHBondContact O-N 2.99Å
59	R	65.6	Low	70.9	Confident	237 Å²	237	137.2 Å²	137.2	89%	0.894	69%	0.686	S	S	*	*			trans	-56.6	125.1	168.4	-67.2	-176.1	175.3	-143.3	1.6	105.4	G57 T61	G57-R59 VanDerWaalsContact C-N 3.3Å; G57-R59 PolarHBondContact O-N 2.91Å; R59-T61 PolarHBondContact O-N 3.28Å
60	S	67.9	Low	72.9	Confident	59 Å²	59	133 Å²	133	41%	0.413	67%	0.67	S	S	.	*			trans	-53.8	127.5	173.8	53	0	0	0	0	108.3	R58 I62	R58-S60 PolarHBondContact O-N 2.99Å; S60-I62 PolarHBondContact O-N 3.04Å
61	T	81.1	Confident	74.8	Confident	147 Å²	147	132.2 Å²	132.2	90%	0.902	66%	0.656	S	S	*	*			trans	-68.5	-5.9	168.5	36.5	0	0	0	0	112.3	R59 P63	R59-T61 PolarHBondContact O-N 3.28Å; T61-P63 WeakPolarHBondContact O-CD 3.15Å
62	I	78.5	Confident	76.7	Confident	92 Å²	92	134.1 Å²	134.1	47%	0.472	65%	0.646	S	S	.	*	S	Bend	trans	-67.1	123.9	177.4	-55.5	172.1	0	0	0	109.2	S60 I66	S60-I62 PolarHBondContact O-N 3.04Å; I62-I66 HydrophobicContact CG2-CB 3.8Å; I62-I66 HydrophobicContact CG2-CG2 3.7Å
63	P	87.4	Confident	78.5	Confident	78 Å²	78	130.9 Å²	130.9	51%	0.506	63%	0.629	S	S	.	*			trans	-46.8	140.1	172.1	-29.7	34.3	0	0	0	112.7	T61 E65 I66 R67	T61-P63 WeakPolarHBondContact O-CD 3.15Å; P63-E65 PolarHBondContact O-N 2.96Å; P63-I66 HydrophobicContact CB-CD1 4.29Å; P63-I66 HydrophobicContact CB-CG1 4.38Å; P63-I66 HydrophobicContact CG-CD1 4.08Å; P63-I66 PolarHBondContact O-N 2.99Å; P63-R67 PolarHBondContact O-N 3.41Å; P63-R67 VanDerWaalsContact O-N 3.14Å
64	L	84.9	Confident	80.2	Confident	128 Å²	128	132.7 Å²	132.7	67%	0.67	63%	0.626	S	S	*	*	H	α-helix	trans	-57.2	-36	-176.5	-71.6	173.5	0	0	0	112.6	R67 D68	L64-R67 WeakPolarHBondContact O-CB 3.34Å; L64-R67 PolarHBondContact O-N 3.29Å; L64-D68 PolarHBondContact O-N 3.49Å
65	E	89.6	Confident	82.2	Confident	159 Å²	159	135.8 Å²	135.8	74%	0.743	63%	0.627	S	S	*	*	H	α-helix	trans	-60.7	-48.3	178	-173.2	169.2	-169.1	0	0	112.2	P63 R67 D68 E69	P63-E65 PolarHBondContact O-N 2.96Å; E65-R67 VanDerWaalsContact C-N 3.29Å; E65-R67 PolarHBondContact O-N 3.26Å; E65-D68 PolarHBondContact O-N 3.4Å; E65-E69 PolarHBondContact O-N 3.48Å
66	I	91	Very high	84.1	Confident	92 Å²	92	130.8 Å²	130.8	47%	0.472	61%	0.608	S	S	.	*	H	α-helix	trans	-61.8	-40.9	175.6	-62.2	175.6	0	0	0	110.3	I62 P63 D68 E69 V70	I62-I66 HydrophobicContact CG2-CB 3.8Å; I62-I66 HydrophobicContact CG2-CG2 3.7Å; P63-I66 HydrophobicContact CB-CD1 4.29Å; P63-I66 HydrophobicContact CB-CG1 4.38Å; P63-I66 HydrophobicContact CG-CD1 4.08Å; P63-I66 PolarHBondContact O-N 2.99Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 3.16Å; I66-E69 PolarHBondContact O-N 3.29Å; I66-V70 HydrophobicContact CG2-CG2 4.35Å; I66-V70 WeakPolarHBondContact O-CB 3.4Å; I66-V70 VanDerWaalsContact O-CG2 3.3Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 3.16Å
67	R	89.5	Confident	86	Confident	133 Å²	133	124.7 Å²	124.7	50%	0.502	59%	0.592	S	S	.	*	H	α-helix	trans	-63.1	-37.6	178.5	-174.4	-178.9	178.8	-178.9	-1.4	112.1	P63 L64 E65 R71	P63-R67 PolarHBondContact O-N 3.41Å; P63-R67 VanDerWaalsContact O-N 3.14Å; L64-R67 WeakPolarHBondContact O-CB 3.34Å; L64-R67 PolarHBondContact O-N 3.29Å; E65-R67 VanDerWaalsContact C-N 3.29Å; E65-R67 PolarHBondContact O-N 3.26Å; R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.46Å; R67-R71 VanDerWaalsContact O-N 3.11Å
68	D	92.3	Very high	88.1	Confident	63 Å²	63	126.3 Å²	126.3	34%	0.337	59%	0.591	S	S	.	*	H	α-helix	trans	-74.4	-37.2	178	-75.7	-15.6	0	0	0	111.5	L64 E65 I66 R71 R72	L64-D68 PolarHBondContact O-N 3.49Å; E65-D68 PolarHBondContact O-N 3.4Å; I66-D68 VanDerWaalsContact C-N 3.29Å; I66-D68 PolarHBondContact O-N 3.16Å; D68-R71 WeakPolarHBondContact O-CB 3.47Å; D68-R71 PolarHBondContact O-N 3.12Å; D68-R71 IonicContact OD1-CZ 3.05Å; D68-R71 IonicContact OD1-NH1 2.87Å; D68-R71 PolarHBondContact OD1-NH1 3.15Å; D68-R71 IonicContact OD1-NH2 2.75Å; D68-R71 PolarHBondContact OD1-NH2 3Å; D68-R72 VanDerWaalsContact O-CG 3.31Å; D68-R72 WeakPolarHBondContact O-CG 3.46Å; D68-R72 PolarHBondContact O-N 2.98Å
69	E	94.6	Very high	89.9	Confident	87 Å²	87	117 Å²	117	41%	0.407	56%	0.558	S	S	.	*	H	α-helix	trans	-65.2	-44.6	174.4	-167.5	52	-139.1	0	0	111.8	E65 I66 R71 R72 L73	E65-E69 PolarHBondContact O-N 3.48Å; I66-E69 PolarHBondContact O-N 3.29Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 PolarHBondContact O-N 3.12Å; E69-R72 WeakPolarHBondContact O-CB 3.35Å; E69-R72 PolarHBondContact O-N 3.21Å; E69-R72 VanDerWaalsContact O-N 3.13Å; E69-R72 IonicContact OE2-NH1 3.97Å; E69-L73 WeakPolarHBondContact O-CB 3.33Å; E69-L73 PolarHBondContact O-N 2.93Å
70	V	94.8	Very high	91.4	Very high	91 Å²	91	113.3 Å²	113.3	55%	0.552	54%	0.544	S	S	*	.	H	α-helix	trans	-59.8	-38.4	172.8	172.1	0	0	0	0	111.3	I66 K74	I66-V70 HydrophobicContact CG2-CG2 4.35Å; I66-V70 WeakPolarHBondContact O-CB 3.4Å; I66-V70 VanDerWaalsContact O-CG2 3.3Å; I66-V70 WeakPolarHBondContact O-CG2 3.44Å; I66-V70 PolarHBondContact O-N 3.16Å; V70-K74 WeakPolarHBondContact O-CB 3.24Å; V70-K74 PolarHBondContact O-N 3.41Å
71	R	93.5	Very high	92.9	Very high	137 Å²	137	116.5 Å²	116.5	52%	0.517	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-44	175.7	-170.2	-172.1	-55.6	128.2	22	111.2	R67 D68 E69 K75	R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.46Å; R67-R71 VanDerWaalsContact O-N 3.11Å; D68-R71 WeakPolarHBondContact O-CB 3.47Å; D68-R71 PolarHBondContact O-N 3.12Å; D68-R71 IonicContact OD1-CZ 3.05Å; D68-R71 IonicContact OD1-NH1 2.87Å; D68-R71 PolarHBondContact OD1-NH1 3.15Å; D68-R71 IonicContact OD1-NH2 2.75Å; D68-R71 PolarHBondContact OD1-NH2 3Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 PolarHBondContact O-N 3.12Å; R71-K75 WeakPolarHBondContact O-CB 3.34Å; R71-K75 PolarHBondContact O-N 2.96Å
72	R	95.3	Very high	93.7	Very high	149 Å²	149	115.6 Å²	115.6	56%	0.562	53%	0.533	S	S	*	.	H	α-helix	trans	-61.7	-46.4	176.5	-73	169.6	176.6	-178.2	-2.6	110.9	D68 E69 K75 R76	D68-R72 VanDerWaalsContact O-CG 3.31Å; D68-R72 WeakPolarHBondContact O-CG 3.46Å; D68-R72 PolarHBondContact O-N 2.98Å; E69-R72 WeakPolarHBondContact O-CB 3.35Å; E69-R72 PolarHBondContact O-N 3.21Å; E69-R72 VanDerWaalsContact O-N 3.13Å; E69-R72 IonicContact OE2-NH1 3.97Å; R72-K75 PolarHBondContact O-N 3.25Å; R72-R76 WeakPolarHBondContact O-CG 3.31Å; R72-R76 PolarHBondContact O-N 3.36Å
73	L	96.7	Very high	94.7	Very high	99 Å²	99	119 Å²	119	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-47.9	177.6	-176.5	61	0	0	0	111.8	E69 K75 R76 N77	E69-L73 WeakPolarHBondContact O-CB 3.33Å; E69-L73 PolarHBondContact O-N 2.93Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.28Å; L73-R76 PolarHBondContact O-N 2.97Å; L73-N77 WeakPolarHBondContact O-CB 3.41Å; L73-N77 PolarHBondContact O-N 3.35Å
74	K	97	Very high	95.2	Very high	150 Å²	150	117.4 Å²	117.4	65%	0.652	53%	0.533	S	S	*	.	H	α-helix	trans	-59	-43.4	175.9	-174.5	173.6	-178.8	173.8	0	111.4	V70 N77 T78	V70-K74 WeakPolarHBondContact O-CB 3.24Å; V70-K74 PolarHBondContact O-N 3.41Å; K74-N77 PolarHBondContact O-N 3.46Å; K74-T78 PolarHBondContact O-N 3.49Å; K74-T78 PolarHBondContact O-OG1 3.07Å; K74-T78 VanDerWaalsContact O-OG1 3.08Å
75	K	96.7	Very high	95.8	Very high	162 Å²	162	113.7 Å²	113.7	70%	0.704	52%	0.517	S	S	*	.	H	α-helix	trans	-60.8	-45.6	177	-172.2	179.6	-179.1	-176.1	0	111.7	R71 R72 L73 E79	R71-K75 WeakPolarHBondContact O-CB 3.34Å; R71-K75 PolarHBondContact O-N 2.96Å; R72-K75 PolarHBondContact O-N 3.25Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.28Å; K75-E79 PolarHBondContact O-N 2.87Å; K75-E79 VanDerWaalsContact O-N 3.15Å
76	R	97.6	Very high	96.2	Very high	148 Å²	148	110 Å²	110	56%	0.558	50%	0.502	S	S	*	.	H	α-helix	trans	-61.8	-43.8	175.1	-72.8	177.5	178.7	162.7	-0.9	111.6	R72 L73 E79 R80	R72-R76 WeakPolarHBondContact O-CG 3.31Å; R72-R76 PolarHBondContact O-N 3.36Å; L73-R76 PolarHBondContact O-N 2.97Å; R76-E79 PolarHBondContact O-N 2.86Å; R76-R80 WeakPolarHBondContact O-CG 3.36Å; R76-R80 PolarHBondContact O-N 3Å
77	N	98	Very high	96.4	Very high	96 Å²	96	107.5 Å²	107.5	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-45.8	179.9	-168.6	33.7	0	0	0	112.3	L73 K74 E79 R80 Q81	L73-N77 WeakPolarHBondContact O-CB 3.41Å; L73-N77 PolarHBondContact O-N 3.35Å; K74-N77 PolarHBondContact O-N 3.46Å; N77-E79 VanDerWaalsContact C-N 3.29Å; N77-E79 PolarHBondContact O-N 3.36Å; N77-R80 PolarHBondContact O-N 3.37Å; N77-Q81 PolarHBondContact O-N 2.91Å
78	T	97.4	Very high	96.7	Very high	89 Å²	89	106 Å²	106	55%	0.546	49%	0.494	S	S	.	.	H	α-helix	trans	-58.7	-41.1	175.3	-59.3	0	0	0	0	111.9	K74 Q81 R82	K74-T78 PolarHBondContact O-N 3.49Å; K74-T78 PolarHBondContact O-OG1 3.07Å; K74-T78 VanDerWaalsContact O-OG1 3.08Å; T78-Q81 PolarHBondContact O-N 2.96Å; T78-R82 PolarHBondContact O-N 3.43Å
79	E	98.3	Very high	97	Very high	60 Å²	60	110 Å²	110	28%	0.28	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-38.2	176.5	177	56.1	-163.3	0	0	112.7	K75 R76 N77 Q81 R82 R83	K75-E79 PolarHBondContact O-N 2.87Å; K75-E79 VanDerWaalsContact O-N 3.15Å; R76-E79 PolarHBondContact O-N 2.86Å; N77-E79 VanDerWaalsContact C-N 3.29Å; N77-E79 PolarHBondContact O-N 3.36Å; E79-Q81 VanDerWaalsContact C-N 3.34Å; E79-Q81 PolarHBondContact O-N 2.9Å; E79-R82 WeakPolarHBondContact O-CB 3.33Å; E79-R82 PolarHBondContact O-N 3.27Å; E79-R82 IonicContact OE1-CZ 3.75Å; E79-R82 IonicContact OE1-NE 2.87Å; E79-R82 PolarHBondContact OE1-NE 2.85Å; E79-R82 IonicContact OE1-NH2 3.63Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.47Å; E79-R82 IonicContact OE2-NE 3.66Å; E79-R82 PolarHBondContact OE2-NE 3.24Å; E79-R82 IonicContact OE2-NH2 3.67Å; E79-R83 WeakPolarHBondContact O-CG 3.38Å; E79-R83 PolarHBondContact O-N 3.46Å; E79-R83 WeakPolarHBondContact OE1-CG 3.48Å; E79-R83 IonicContact OE1-CZ 3.7Å; E79-R83 IonicContact OE1-NE 3.71Å; E79-R83 PolarHBondContact OE1-NE 3.08Å; E79-R83 IonicContact OE1-NH2 2.91Å
80	R	98.4	Very high	97	Very high	160 Å²	160	106.9 Å²	106.9	60%	0.604	49%	0.494	S	S	*	.	H	α-helix	trans	-59	-46.1	172.9	-74.1	175.4	-176.1	159.9	-1.7	111.1	R76 N77 R82 R83 A84	R76-R80 WeakPolarHBondContact O-CG 3.36Å; R76-R80 PolarHBondContact O-N 3Å; N77-R80 PolarHBondContact O-N 3.37Å; R80-R82 VanDerWaalsContact C-N 3.33Å; R80-R82 PolarHBondContact O-N 3.16Å; R80-R83 PolarHBondContact O-N 2.93Å; R80-A84 PolarHBondContact O-N 3.03Å
81	Q	98.4	Very high	96.9	Very high	126 Å²	126	105.7 Å²	105.7	59%	0.589	49%	0.485	S	S	*	.	H	α-helix	trans	-61.3	-42.2	176.6	-172.4	61	30.2	0	0	112	N77 T78 E79 R83 A84 C85	N77-Q81 PolarHBondContact O-N 2.91Å; T78-Q81 PolarHBondContact O-N 2.96Å; E79-Q81 VanDerWaalsContact C-N 3.34Å; E79-Q81 PolarHBondContact O-N 2.9Å; Q81-R83 VanDerWaalsContact C-N 3.33Å; Q81-R83 PolarHBondContact O-N 3.29Å; Q81-A84 PolarHBondContact O-N 3.18Å; Q81-C85 WeakPolarHBondContact O-CB 3.39Å; Q81-C85 PolarHBondContact O-N 3.48Å
82	R	98.6	Very high	97	Very high	129 Å²	129	102 Å²	102	49%	0.487	48%	0.483	S	S	.	.	H	α-helix	trans	-59.2	-44.8	175.8	-166.7	-168.2	73.3	85.3	7.4	111.3	T78 E79 R80 C85 I86	T78-R82 PolarHBondContact O-N 3.43Å; E79-R82 WeakPolarHBondContact O-CB 3.33Å; E79-R82 PolarHBondContact O-N 3.27Å; E79-R82 IonicContact OE1-CZ 3.75Å; E79-R82 IonicContact OE1-NE 2.87Å; E79-R82 PolarHBondContact OE1-NE 2.85Å; E79-R82 IonicContact OE1-NH2 3.63Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.47Å; E79-R82 IonicContact OE2-NE 3.66Å; E79-R82 PolarHBondContact OE2-NE 3.24Å; E79-R82 IonicContact OE2-NH2 3.67Å; R80-R82 VanDerWaalsContact C-N 3.33Å; R80-R82 PolarHBondContact O-N 3.16Å; R82-C85 PolarHBondContact O-N 2.83Å; R82-I86 HydrophobicContact CG-CD1 4.35Å; R82-I86 WeakPolarHBondContact O-CG1 3.44Å; R82-I86 PolarHBondContact O-N 3.25Å; R82-I86 VanDerWaalsContact O-N 3.07Å
83	R	98.3	Very high	97	Very high	164 Å²	164	98 Å²	98	62%	0.619	47%	0.473	S	S	*	.	H	α-helix	trans	-65.1	-42.4	179.1	-70.9	176.1	-176	-160.7	-0.6	112.6	E79 R80 Q81 I86 S87	E79-R83 WeakPolarHBondContact O-CG 3.38Å; E79-R83 PolarHBondContact O-N 3.46Å; E79-R83 WeakPolarHBondContact OE1-CG 3.48Å; E79-R83 IonicContact OE1-CZ 3.7Å; E79-R83 IonicContact OE1-NE 3.71Å; E79-R83 PolarHBondContact OE1-NE 3.08Å; E79-R83 IonicContact OE1-NH2 2.91Å; R80-R83 PolarHBondContact O-N 2.93Å; Q81-R83 VanDerWaalsContact C-N 3.33Å; Q81-R83 PolarHBondContact O-N 3.29Å; R83-I86 PolarHBondContact O-N 3.41Å; R83-S87 PolarHBondContact O-N 3.02Å; R83-S87 VanDerWaalsContact O-N 3.09Å
84	A	97.9	Very high	96.9	Very high	43 Å²	43	93.8 Å²	93.8	36%	0.355	45%	0.45	S	S	.	.	H	α-helix	trans	-58.6	-50.9	174.7	0	0	0	0	0	110.7	R80 Q81 I86 S87 D88	R80-A84 PolarHBondContact O-N 3.03Å; Q81-A84 PolarHBondContact O-N 3.18Å; A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 3.33Å; A84-S87 WeakPolarHBondContact O-CA 3.41Å; A84-S87 WeakPolarHBondContact O-CB 3.2Å; A84-S87 PolarHBondContact O-N 3.21Å; A84-D88 VanDerWaalsContact O-CG 3.25Å; A84-D88 PolarHBondContact O-N 3.42Å
85	C	98.4	Very high	96.8	Very high	51 Å²	51	89.8 Å²	89.8	35%	0.345	44%	0.436	S	S	.	.	H	α-helix	trans	-58	-38.8	178.6	-179.1	0	0	0	0	113.3	Q81 R82 D88 K89	Q81-C85 WeakPolarHBondContact O-CB 3.39Å; Q81-C85 PolarHBondContact O-N 3.48Å; R82-C85 PolarHBondContact O-N 2.83Å; C85-D88 PolarHBondContact O-N 2.99Å; C85-K89 WeakPolarHBondContact O-CG 3.46Å; C85-K89 PolarHBondContact O-N 3.48Å; C85-K89 VanDerWaalsContact O-N 3.07Å
86	I	97.8	Very high	96.7	Very high	82 Å²	82	86.3 Å²	86.3	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-63.9	-44.7	174.9	-72.6	165.6	0	0	0	111.1	R82 R83 A84 D88 K89 M90	R82-I86 HydrophobicContact CG-CD1 4.35Å; R82-I86 WeakPolarHBondContact O-CG1 3.44Å; R82-I86 PolarHBondContact O-N 3.25Å; R82-I86 VanDerWaalsContact O-N 3.07Å; R83-I86 PolarHBondContact O-N 3.41Å; A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 3.33Å; I86-D88 VanDerWaalsContact C-N 3.33Å; I86-D88 PolarHBondContact O-N 2.93Å; I86-K89 PolarHBondContact O-N 3.4Å; I86-M90 WeakPolarHBondContact O-CB 3.49Å; I86-M90 PolarHBondContact O-N 2.91Å
87	S	95.2	Very high	96.6	Very high	39 Å²	39	79.2 Å²	79.2	27%	0.273	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-43	178.5	-159.5	0	0	0	0	111.4	R83 A84 K89 M90 N91	R83-S87 PolarHBondContact O-N 3.02Å; R83-S87 VanDerWaalsContact O-N 3.09Å; A84-S87 WeakPolarHBondContact O-CA 3.41Å; A84-S87 WeakPolarHBondContact O-CB 3.2Å; A84-S87 PolarHBondContact O-N 3.21Å; S87-K89 PolarHBondContact O-N 2.88Å; S87-M90 PolarHBondContact O-N 3.3Å; S87-N91 WeakPolarHBondContact O-CB 3.39Å; S87-N91 VanDerWaalsContact O-CG 3.26Å; S87-N91 PolarHBondContact O-N 3.22Å; S87-N91 PolarHBondContact O-ND2 3.5Å
88	D	96.2	Very high	96.4	Very high	101 Å²	101	74.9 Å²	74.9	54%	0.54	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-44.4	178.3	-61.8	-25.8	0	0	0	111.4	A84 C85 I86 N91 A92	A84-D88 VanDerWaalsContact O-CG 3.25Å; A84-D88 PolarHBondContact O-N 3.42Å; C85-D88 PolarHBondContact O-N 2.99Å; I86-D88 VanDerWaalsContact C-N 3.33Å; I86-D88 PolarHBondContact O-N 2.93Å; D88-N91 PolarHBondContact O-N 3.16Å; D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 2.95Å; D88-A92 PolarHBondContact O-N 2.85Å
89	K	97.1	Very high	96.2	Very high	147 Å²	147	78.4 Å²	78.4	64%	0.639	38%	0.383	S	S	*	.	H	α-helix	trans	-65.3	-42.4	177.6	-74.1	-178.8	178.3	-171.7	0	112.6	C85 I86 S87 A92 L93	C85-K89 WeakPolarHBondContact O-CG 3.46Å; C85-K89 PolarHBondContact O-N 3.48Å; C85-K89 VanDerWaalsContact O-N 3.07Å; I86-K89 PolarHBondContact O-N 3.4Å; S87-K89 PolarHBondContact O-N 2.88Å; K89-A92 PolarHBondContact O-N 3.47Å; K89-L93 WeakPolarHBondContact O-CB 3.34Å; K89-L93 PolarHBondContact O-N 3.35Å
90	M	95.2	Very high	96	Very high	22 Å²	22	80 Å²	80	11%	0.108	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-43.8	177.1	-174.8	-170.3	71.5	0	0	111	I86 S87 L93 H94 K113 I116 L117	I86-M90 WeakPolarHBondContact O-CB 3.49Å; I86-M90 PolarHBondContact O-N 2.91Å; S87-M90 PolarHBondContact O-N 3.3Å; M90-L93 WeakPolarHBondContact O-CB 3.38Å; M90-L93 PolarHBondContact O-N 2.91Å; M90-H94 PolarHBondContact O-N 3.15Å; M90-K113 HydrophobicContact CE-CD 4.38Å; M90-K113 HydrophobicContact CE-CG 3.96Å; M90-K113 HydrophobicContact SD-CB 3.9Å; M90-K113 HydrophobicContact SD-CD 4.21Å; M90-K113 HydrophobicContact SD-CG 3.9Å; M90-I116 HydrophobicContact CE-CD1 3.79Å; M90-I116 HydrophobicContact CG-CG2 3.89Å; M90-I116 HydrophobicContact SD-CD1 4.48Å; M90-L117 HydrophobicContact CG-CD2 4.4Å
91	N	93.4	Very high	95.7	Very high	65 Å²	65	77.2 Å²	77.2	35%	0.348	39%	0.389	S	S	.	.	H	α-helix	trans	-67.6	-38.9	176.6	-71.1	-16	0	0	0	112.3	S87 D88 L93 H94 N95	S87-N91 WeakPolarHBondContact O-CB 3.39Å; S87-N91 VanDerWaalsContact O-CG 3.26Å; S87-N91 PolarHBondContact O-N 3.22Å; S87-N91 PolarHBondContact O-ND2 3.5Å; D88-N91 PolarHBondContact O-N 3.16Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-H94 PolarHBondContact O-N 3.23Å; N91-N95 WeakPolarHBondContact O-CB 3.34Å; N91-N95 PolarHBondContact O-N 2.99Å; N91-N95 PolarHBondContact O-ND2 3.32Å
92	A	95	Very high	95.4	Very high	59 Å²	59	74.4 Å²	74.4	49%	0.488	39%	0.394	S	S	.	.	H	α-helix	trans	-62.3	-41.4	174.6	0	0	0	0	0	111.9	D88 K89 N95 L96	D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 2.95Å; D88-A92 PolarHBondContact O-N 2.85Å; K89-A92 PolarHBondContact O-N 3.47Å; A92-N95 PolarHBondContact O-N 3.15Å; A92-L96 WeakPolarHBondContact O-CB 3.39Å; A92-L96 PolarHBondContact O-N 3.22Å
93	L	95.7	Very high	95	Very high	65 Å²	65	71.7 Å²	71.7	34%	0.34	39%	0.387	S	S	.	.	H	α-helix	trans	-61.8	-46.8	175	-173.7	70.3	0	0	0	111.4	K89 M90 N91 L96 A97 C120 F124	K89-L93 WeakPolarHBondContact O-CB 3.34Å; K89-L93 PolarHBondContact O-N 3.35Å; M90-L93 WeakPolarHBondContact O-CB 3.38Å; M90-L93 PolarHBondContact O-N 2.91Å; N91-L93 VanDerWaalsContact C-N 3.34Å; L93-L96 WeakPolarHBondContact O-CB 3.2Å; L93-L96 PolarHBondContact O-N 3Å; L93-A97 PolarHBondContact O-N 3.32Å; L93-C120 HydrophobicContact CD2-CB 4.02Å; L93-C120 HydrophobicContact CG-CB 4.22Å; L93-F124 HydrophobicContact CD1-CE2 3.51Å; L93-F124 HydrophobicContact CD1-CZ 3.86Å; L93-F124 HydrophobicContact CG-CE2 3.99Å
94	H	94.8	Very high	94.5	Very high	11 Å²	11	68 Å²	68	5%	0.051	38%	0.379	C	S	.	.	H	α-helix	trans	-59.1	-48.3	176.4	-179.9	-107.1	0	0	0	112.3	M90 N91 L96 A97 M98 M111 I116	M90-H94 PolarHBondContact O-N 3.15Å; N91-H94 PolarHBondContact O-N 3.23Å; H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact O-N 2.92Å; H94-A97 PolarHBondContact O-N 3.16Å; H94-A97 VanDerWaalsContact O-N 3.14Å; H94-M98 WeakPolarHBondContact O-CG 3.5Å; H94-M98 PolarHBondContact O-N 2.96Å; H94-M111 VanDerWaalsContact NE2-CE 3.27Å; H94-M111 WeakPolarHBondContact NE2-CE 3.48Å; H94-I116 HydrophobicContact CB-CG2 3.76Å
95	N	94.4	Very high	94	Very high	66 Å²	66	68.1 Å²	68.1	35%	0.353	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-36	177.5	-70	-18.3	0	0	0	112.2	N91 A92 K99 P105	N91-N95 WeakPolarHBondContact O-CB 3.34Å; N91-N95 PolarHBondContact O-N 2.99Å; N91-N95 PolarHBondContact O-ND2 3.32Å; A92-N95 PolarHBondContact O-N 3.15Å; N95-K99 WeakPolarHBondContact O-CB 3.33Å; N95-K99 WeakPolarHBondContact O-CG 3.38Å; N95-K99 PolarHBondContact O-N 3.3Å; N95-K99 VanDerWaalsContact O-N 3.08Å; N95-P105 WeakPolarHBondContact OD1-CB 3.37Å
96	L	95.4	Very high	93.3	Very high	89 Å²	89	70 Å²	70	47%	0.466	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-47	174	177.2	62.8	0	0	0	111.2	A92 L93 H94 M98 K99 L100 F124	A92-L96 WeakPolarHBondContact O-CB 3.39Å; A92-L96 PolarHBondContact O-N 3.22Å; L93-L96 WeakPolarHBondContact O-CB 3.2Å; L93-L96 PolarHBondContact O-N 3Å; H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact O-N 2.92Å; L96-M98 PolarHBondContact O-N 2.96Å; L96-K99 PolarHBondContact O-N 3.11Å; L96-L100 HydrophobicContact CD1-CD1 4.5Å; L96-L100 HydrophobicContact CG-CD1 4.31Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.32Å; L96-L100 VanDerWaalsContact O-N 3.11Å; L96-F124 HydrophobicContact CD2-CE1 4.39Å; L96-F124 HydrophobicContact CD2-CZ 4.16Å; L96-F124 HydrophobicContact CG-CE1 4.48Å; L96-F124 HydrophobicContact CG-CZ 4.3Å
97	A	95.1	Very high	92.5	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-44.4	179.4	0	0	0	0	0	111.9	L93 H94 K99 L100 I101 I123 F124	L93-A97 PolarHBondContact O-N 3.32Å; H94-A97 PolarHBondContact O-N 3.16Å; H94-A97 VanDerWaalsContact O-N 3.14Å; A97-K99 PolarHBondContact O-N 3.14Å; A97-L100 WeakPolarHBondContact O-CB 3.43Å; A97-L100 PolarHBondContact O-N 3.36Å; A97-I101 PolarHBondContact O-N 3.01Å; A97-I123 HydrophobicContact CB-CB 4.36Å; A97-I123 HydrophobicContact CB-CD1 3.8Å; A97-I123 HydrophobicContact CB-CG2 4.26Å; A97-F124 HydrophobicContact CB-CE2 4.26Å; A97-F124 HydrophobicContact CB-CZ 4.06Å
98	M	94.2	Very high	91.6	Very high	5 Å²	5	73.4 Å²	73.4	3%	0.025	40%	0.397	C	S	.	.	H	α-helix	trans	-61.5	-43.5	176.1	-68.2	-62.7	123.9	0	0	112.2	H94 L96 L100 I101 G102 E103 P105 I119 I123	H94-M98 WeakPolarHBondContact O-CG 3.5Å; H94-M98 PolarHBondContact O-N 2.96Å; L96-M98 PolarHBondContact O-N 2.96Å; M98-L100 VanDerWaalsContact C-N 3.26Å; M98-L100 PolarHBondContact O-N 3.08Å; M98-I101 PolarHBondContact O-N 3.49Å; M98-G102 PolarHBondContact O-N 3.3Å; M98-E103 CarbonylContact C-O 3.57Å; M98-E103 WeakPolarHBondContact CB-O 3.4Å; M98-E103 PolarHBondContact O-N 2.95Å; M98-E103 HydrophobicContact SD-CB 4.21Å; M98-P105 HydrophobicContact CB-CB 4.23Å; M98-P105 HydrophobicContact CG-CB 4.12Å; M98-I119 HydrophobicContact CE-CG2 3.48Å; M98-I119 VanDerWaalsContact CE-CG2 3.48Å; M98-I123 HydrophobicContact CE-CD1 3.77Å
99	K	93.7	Very high	90.7	Very high	162 Å²	162	73.6 Å²	73.6	70%	0.704	41%	0.407	S	S	*	.	H	α-helix	trans	-60.4	-33	175.1	-77.9	174.6	-178.8	-174.9	0	113.4	N95 L96 A97 G102	N95-K99 WeakPolarHBondContact O-CB 3.33Å; N95-K99 WeakPolarHBondContact O-CG 3.38Å; N95-K99 PolarHBondContact O-N 3.3Å; N95-K99 VanDerWaalsContact O-N 3.08Å; L96-K99 PolarHBondContact O-N 3.11Å; A97-K99 PolarHBondContact O-N 3.14Å; K99-G102 PolarHBondContact O-N 3.47Å
100	L	92.8	Very high	90.2	Very high	94 Å²	94	76.5 Å²	76.5	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-71.6	-31.8	179.1	-71.9	166.3	0	0	0	112.6	L96 A97 M98 F124 I127	L96-L100 HydrophobicContact CD1-CD1 4.5Å; L96-L100 HydrophobicContact CG-CD1 4.31Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.32Å; L96-L100 VanDerWaalsContact O-N 3.11Å; A97-L100 WeakPolarHBondContact O-CB 3.43Å; A97-L100 PolarHBondContact O-N 3.36Å; M98-L100 VanDerWaalsContact C-N 3.26Å; M98-L100 PolarHBondContact O-N 3.08Å; L100-F124 HydrophobicContact CD1-CD1 4.19Å; L100-F124 HydrophobicContact CD1-CE1 3.57Å; L100-I127 HydrophobicContact CB-CD1 3.84Å; L100-I127 HydrophobicContact CD1-CD1 3.7Å; L100-I127 HydrophobicContact CD2-CD1 4.49Å; L100-I127 HydrophobicContact CG-CD1 4.22Å
101	I	92.2	Very high	89.8	Confident	101 Å²	101	77.4 Å²	77.4	52%	0.518	42%	0.424	S	S	.	.	H	α-helix	trans	-83.9	-21.8	174.2	-64.9	-168.4	0	0	0	111.7	A97 M98 E103 I123	A97-I101 PolarHBondContact O-N 3.01Å; M98-I101 PolarHBondContact O-N 3.49Å; I101-E103 HydrophobicContact CG2-CB 4.45Å; I101-I123 HydrophobicContact CD1-CB 4.23Å; I101-I123 HydrophobicContact CD1-CD1 3.41Å; I101-I123 VanDerWaalsContact CD1-CD1 3.41Å; I101-I123 HydrophobicContact CD1-CG1 3.45Å; I101-I123 VanDerWaalsContact CD1-CG1 3.45Å; I101-I123 HydrophobicContact CD1-CG2 3.85Å; I101-I123 HydrophobicContact CG1-CD1 4.19Å; I101-I123 HydrophobicContact CG1-CG1 4.38Å; I101-I123 HydrophobicContact CG1-CG2 3.91Å
102	G	91.7	Very high	89.8	Confident	68 Å²	68	80.6 Å²	80.6	70%	0.701	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	26	-174	0	0	0	0	0	112.7	M98 K99	M98-G102 PolarHBondContact O-N 3.3Å; K99-G102 PolarHBondContact O-N 3.47Å
103	E	90.9	Very high	89.6	Confident	72 Å²	72	84.1 Å²	84.1	34%	0.336	44%	0.441	S	S	.	.			trans	-101.2	151.6	176.2	-164.7	172.1	173	0	0	111.5	M98 I101 H108	M98-E103 CarbonylContact C-O 3.57Å; M98-E103 WeakPolarHBondContact CB-O 3.4Å; M98-E103 PolarHBondContact O-N 2.95Å; M98-E103 HydrophobicContact SD-CB 4.21Å; I101-E103 HydrophobicContact CG2-CB 4.45Å; E103-H108 IonicContact OE1-CE1 3.83Å; E103-H108 PolarHBondContact OE1-CE1 3.03Å; E103-H108 IonicContact OE1-NE2 2.7Å; E103-H108 PolarHBondContact OE1-NE2 3.26Å; E103-H108 IonicContact OE2-NE2 2.73Å
104	D	88.6	Confident	89.6	Confident	87 Å²	87	86.8 Å²	86.8	47%	0.465	46%	0.456	S	S	.	.			trans	-79.3	123	178.1	-62.7	-51.4	0	0	0	111.2	S106 K107	D104-S106 PolarHBondContact O-N 3.32Å; D104-S106 VanDerWaalsContact O-N 3.15Å; D104-K107 HydrophobicContact CB-CD 4.39Å; D104-K107 HydrophobicContact CB-CG 4.33Å; D104-K107 PolarHBondContact O-N 3.44Å; D104-K107 IonicContact OD2-NZ 2.85Å
105	P	86.3	Confident	89.6	Confident	44 Å²	44	90.1 Å²	90.1	29%	0.286	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-67.5	-17.1	178.5	28.3	-35.1	0	0	0	112.9	N95 M98 K107 H108	N95-P105 WeakPolarHBondContact OD1-CB 3.37Å; M98-P105 HydrophobicContact CB-CB 4.23Å; M98-P105 HydrophobicContact CG-CB 4.12Å; P105-K107 VanDerWaalsContact C-N 3.25Å; P105-K107 PolarHBondContact O-N 3.36Å; P105-H108 PolarHBondContact O-N 2.92Å
106	S	84.3	Confident	89.6	Confident	90 Å²	90	87.6 Å²	87.6	63%	0.629	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-65	-28.6	179.3	57.9	0	0	0	0	112.8	D104 H108	D104-S106 PolarHBondContact O-N 3.32Å; D104-S106 VanDerWaalsContact O-N 3.15Å; S106-H108 PolarHBondContact O-N 3.26Å
107	K	80.1	Confident	89.6	Confident	140 Å²	140	87.5 Å²	87.5	61%	0.609	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-65.7	-22.7	177.7	-64.9	177.9	-175.5	172	0	112.3	D104 P105	D104-K107 HydrophobicContact CB-CD 4.39Å; D104-K107 HydrophobicContact CB-CG 4.33Å; D104-K107 PolarHBondContact O-N 3.44Å; D104-K107 IonicContact OD2-NZ 2.85Å; P105-K107 VanDerWaalsContact C-N 3.25Å; P105-K107 PolarHBondContact O-N 3.36Å
108	H	77.4	Confident	89.6	Confident	53 Å²	53	89.2 Å²	89.2	25%	0.245	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-110.6	20.2	-171.8	-55.4	-58.4	0	0	0	113.5	E103 P105 S106 K110 M111	E103-H108 IonicContact OE1-CE1 3.83Å; E103-H108 PolarHBondContact OE1-CE1 3.03Å; E103-H108 IonicContact OE1-NE2 2.7Å; E103-H108 PolarHBondContact OE1-NE2 3.26Å; E103-H108 IonicContact OE2-NE2 2.73Å; P105-H108 PolarHBondContact O-N 2.92Å; S106-H108 PolarHBondContact O-N 3.26Å; H108-K110 PolarHBondContact O-N 3.22Å; H108-M111 HydrophobicContact CB-CE 4.05Å; H108-M111 HydrophobicContact CB-SD 4.45Å; H108-M111 WeakPolarHBondContact O-CB 3.2Å; H108-M111 PolarHBondContact O-N 3.38Å
109	S	76.5	Confident	89.6	Confident	106 Å²	106	91.6 Å²	91.6	74%	0.741	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.4	-172.4	-179.9	0	0	0	0	115.6
110	K	86.1	Confident	89.7	Confident	208 Å²	208	84 Å²	84	90%	0.904	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	16.2	-175.5	-66.6	-174	179.2	179.3	0	113.8	H108	H108-K110 PolarHBondContact O-N 3.22Å
111	M	87.5	Confident	89.9	Confident	41 Å²	41	86.9 Å²	86.9	20%	0.202	46%	0.462	C	S	.	.			trans	-74.2	145.2	-174.3	-166.8	151.3	65.7	0	0	112.5	H94 H108 D115 I116 I119	H94-M111 VanDerWaalsContact NE2-CE 3.27Å; H94-M111 WeakPolarHBondContact NE2-CE 3.48Å; H108-M111 HydrophobicContact CB-CE 4.05Å; H108-M111 HydrophobicContact CB-SD 4.45Å; H108-M111 WeakPolarHBondContact O-CB 3.2Å; H108-M111 PolarHBondContact O-N 3.38Å; M111-D115 HydrophobicContact CG-CB 3.35Å; M111-D115 HydrophobicContact SD-CB 3.93Å; M111-I116 HydrophobicContact CB-CG1 4.01Å; M111-I116 HydrophobicContact CE-CB 4.26Å; M111-I116 HydrophobicContact CE-CG1 3.55Å; M111-I116 HydrophobicContact CG-CG1 4Å; M111-I119 HydrophobicContact CE-CD1 3.5Å; M111-I119 VanDerWaalsContact CE-CD1 3.5Å; M111-I119 HydrophobicContact SD-CD1 3.2Å; M111-I119 WeakPolarHBondContact SD-CD1 3.43Å
112	E	93.1	Very high	90.2	Very high	131 Å²	131	86.4 Å²	86.4	61%	0.612	46%	0.464	S	S	*	.			trans	-68.3	154.4	175.5	-61.1	-165.9	167.6	0	0	111	N114 D115 I116	E112-N114 PolarHBondContact O-N 3.44Å; E112-D115 HydrophobicContact CB-CB 4.49Å; E112-D115 PolarHBondContact O-N 3.35Å; E112-D115 VanDerWaalsContact O-N 3.16Å; E112-I116 WeakPolarHBondContact O-CG1 3.46Å; E112-I116 PolarHBondContact O-N 3.48Å
113	K	92	Very high	90.4	Very high	133 Å²	133	84 Å²	84	58%	0.578	44%	0.435	S	S	*	.	H	α-helix	trans	-59.4	-35.7	-179.4	-63.2	-170.3	175.9	175.5	0	112.5	M90 L117	M90-K113 HydrophobicContact CE-CD 4.38Å; M90-K113 HydrophobicContact CE-CG 3.96Å; M90-K113 HydrophobicContact SD-CB 3.9Å; M90-K113 HydrophobicContact SD-CD 4.21Å; M90-K113 HydrophobicContact SD-CG 3.9Å; K113-L117 WeakPolarHBondContact O-CG 3.41Å; K113-L117 PolarHBondContact O-N 2.93Å; K113-L117 VanDerWaalsContact O-N 3.16Å
114	N	94.6	Very high	90.7	Very high	121 Å²	121	83.8 Å²	83.8	65%	0.647	43%	0.433	S	S	*	.	H	α-helix	trans	-68.6	-42.7	179.2	-66.6	-16.9	0	0	0	110.8	E112 L117 G118	E112-N114 PolarHBondContact O-N 3.44Å; N114-L117 PolarHBondContact O-N 3.37Å; N114-G118 PolarHBondContact O-N 3.44Å
115	D	94.4	Very high	91.1	Very high	81 Å²	81	82.9 Å²	82.9	43%	0.433	43%	0.426	S	S	.	.	H	α-helix	trans	-64	-42.2	176.7	-62.1	-20.9	0	0	0	111.5	M111 E112 L117 G118 I119	M111-D115 HydrophobicContact CG-CB 3.35Å; M111-D115 HydrophobicContact SD-CB 3.93Å; E112-D115 HydrophobicContact CB-CB 4.49Å; E112-D115 PolarHBondContact O-N 3.35Å; E112-D115 VanDerWaalsContact O-N 3.16Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 3.47Å; D115-G118 PolarHBondContact O-N 3.34Å; D115-I119 WeakPolarHBondContact O-CB 3.21Å; D115-I119 WeakPolarHBondContact O-CG1 3.4Å; D115-I119 PolarHBondContact O-N 3.4Å
116	I	94.4	Very high	91.5	Very high	13 Å²	13	82.1 Å²	82.1	7%	0.067	43%	0.426	C	S	.	.	H	α-helix	trans	-54.7	-49.6	173.5	-67.7	167.5	0	0	0	110.7	M90 H94 M111 E112 C120	M90-I116 HydrophobicContact CE-CD1 3.79Å; M90-I116 HydrophobicContact CG-CG2 3.89Å; M90-I116 HydrophobicContact SD-CD1 4.48Å; H94-I116 HydrophobicContact CB-CG2 3.76Å; M111-I116 HydrophobicContact CB-CG1 4.01Å; M111-I116 HydrophobicContact CE-CB 4.26Å; M111-I116 HydrophobicContact CE-CG1 3.55Å; M111-I116 HydrophobicContact CG-CG1 4Å; E112-I116 WeakPolarHBondContact O-CG1 3.46Å; E112-I116 PolarHBondContact O-N 3.48Å; I116-C120 WeakPolarHBondContact O-CB 3.4Å; I116-C120 PolarHBondContact O-N 2.86Å; I116-C120 PolarHBondContact O-SG 2.91Å
117	L	95.8	Very high	92	Very high	88 Å²	88	80.4 Å²	80.4	46%	0.461	41%	0.409	S	S	.	.	H	α-helix	trans	-67.5	-40.4	179.9	-68.7	174.9	0	0	0	112	M90 K113 N114 D115 C120 Y121	M90-L117 HydrophobicContact CG-CD2 4.4Å; K113-L117 WeakPolarHBondContact O-CG 3.41Å; K113-L117 PolarHBondContact O-N 2.93Å; K113-L117 VanDerWaalsContact O-N 3.16Å; N114-L117 PolarHBondContact O-N 3.37Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 3.47Å; L117-C120 PolarHBondContact O-N 2.91Å; L117-Y121 WeakPolarHBondContact O-CB 3.42Å; L117-Y121 PolarHBondContact O-N 3.36Å
118	G	96	Very high	92.6	Very high	35 Å²	35	75.9 Å²	75.9	36%	0.361	40%	0.398	S	S	.	.	H	α-helix	trans	-60.2	-49.7	177.1	0	0	0	0	0	112.1	N114 D115 Y121 T122	N114-G118 PolarHBondContact O-N 3.44Å; D115-G118 PolarHBondContact O-N 3.34Å; G118-Y121 WeakPolarHBondContact O-CB 3.37Å; G118-Y121 PolarHBondContact O-N 3.46Å; G118-T122 PolarHBondContact O-N 3.43Å; G118-T122 PolarHBondContact O-OG1 3.43Å
119	I	94	Very high	93.5	Very high	56 Å²	56	78.5 Å²	78.5	29%	0.287	41%	0.409	S	S	.	.	H	α-helix	trans	-61.1	-48.7	176.5	-72	161.7	0	0	0	110.6	M98 M111 D115 Y121 T122 I123	M98-I119 HydrophobicContact CE-CG2 3.48Å; M98-I119 VanDerWaalsContact CE-CG2 3.48Å; M111-I119 HydrophobicContact CE-CD1 3.5Å; M111-I119 VanDerWaalsContact CE-CD1 3.5Å; M111-I119 HydrophobicContact SD-CD1 3.2Å; M111-I119 WeakPolarHBondContact SD-CD1 3.43Å; D115-I119 WeakPolarHBondContact O-CB 3.21Å; D115-I119 WeakPolarHBondContact O-CG1 3.4Å; D115-I119 PolarHBondContact O-N 3.4Å; I119-Y121 VanDerWaalsContact C-N 3.27Å; I119-Y121 PolarHBondContact O-N 2.96Å; I119-T122 PolarHBondContact O-N 3.06Å; I119-I123 HydrophobicContact CG2-CD1 3.51Å; I119-I123 HydrophobicContact CG2-CG1 4.16Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 3.07Å
120	C	96.1	Very high	94.3	Very high	2 Å²	2	77.8 Å²	77.8	1%	0.014	40%	0.396	C	S	.	.	H	α-helix	trans	-54.2	-46.9	177.3	-70.3	0	0	0	0	111.2	L93 I116 L117 I123 F124	L93-C120 HydrophobicContact CD2-CB 4.02Å; L93-C120 HydrophobicContact CG-CB 4.22Å; I116-C120 WeakPolarHBondContact O-CB 3.4Å; I116-C120 PolarHBondContact O-N 2.86Å; I116-C120 PolarHBondContact O-SG 2.91Å; L117-C120 PolarHBondContact O-N 2.91Å; C120-I123 PolarHBondContact O-N 3.39Å; C120-F124 HydrophobicContact CB-CD2 4.32Å; C120-F124 HydrophobicContact CB-CE2 4.07Å; C120-F124 WeakPolarHBondContact O-CD2 3.43Å; C120-F124 WeakPolarHBondContact O-CG 3.48Å; C120-F124 PolarHBondContact O-N 2.97Å
121	Y	97	Very high	94.6	Very high	155 Å²	155	69.8 Å²	69.8	61%	0.608	36%	0.363	S	S	*	.	H	α-helix	trans	-58.4	-51.6	177.9	178.9	-95.8	0	0	0	112	L117 G118 I119 I123 F124 E125	L117-Y121 WeakPolarHBondContact O-CB 3.42Å; L117-Y121 PolarHBondContact O-N 3.36Å; G118-Y121 WeakPolarHBondContact O-CB 3.37Å; G118-Y121 PolarHBondContact O-N 3.46Å; I119-Y121 VanDerWaalsContact C-N 3.27Å; I119-Y121 PolarHBondContact O-N 2.96Å; Y121-I123 VanDerWaalsContact C-N 3.32Å; Y121-I123 PolarHBondContact O-N 3.33Å; Y121-F124 PolarHBondContact O-N 3.07Å; Y121-E125 WeakPolarHBondContact CE1-OE2 3.48Å; Y121-E125 VanDerWaalsContact O-CB 3.24Å; Y121-E125 WeakPolarHBondContact O-CB 3.31Å; Y121-E125 PolarHBondContact O-N 3.26Å
122	T	96.8	Very high	94.8	Very high	90 Å²	90	76 Å²	76	55%	0.552	39%	0.388	S	S	*	.	H	α-helix	trans	-59.3	-41.3	179.9	-58.3	0	0	0	0	112.4	G118 I119 G126	G118-T122 PolarHBondContact O-N 3.43Å; G118-T122 PolarHBondContact O-OG1 3.43Å; I119-T122 PolarHBondContact O-N 3.06Å; T122-G126 PolarHBondContact O-N 3.09Å
123	I	96.3	Very high	94.9	Very high	18 Å²	18	76 Å²	76	9%	0.092	39%	0.393	C	S	.	.	H	α-helix	trans	-65.8	-51	179.6	-62.8	177	0	0	0	110.6	A97 M98 I101 I119 C120 Y121 E125 G126 I127	A97-I123 HydrophobicContact CB-CB 4.36Å; A97-I123 HydrophobicContact CB-CD1 3.8Å; A97-I123 HydrophobicContact CB-CG2 4.26Å; M98-I123 HydrophobicContact CE-CD1 3.77Å; I101-I123 HydrophobicContact CD1-CB 4.23Å; I101-I123 HydrophobicContact CD1-CD1 3.41Å; I101-I123 VanDerWaalsContact CD1-CD1 3.41Å; I101-I123 HydrophobicContact CD1-CG1 3.45Å; I101-I123 VanDerWaalsContact CD1-CG1 3.45Å; I101-I123 HydrophobicContact CD1-CG2 3.85Å; I101-I123 HydrophobicContact CG1-CD1 4.19Å; I101-I123 HydrophobicContact CG1-CG1 4.38Å; I101-I123 HydrophobicContact CG1-CG2 3.91Å; I119-I123 HydrophobicContact CG2-CD1 3.51Å; I119-I123 HydrophobicContact CG2-CG1 4.16Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 3.07Å; C120-I123 PolarHBondContact O-N 3.39Å; Y121-I123 VanDerWaalsContact C-N 3.32Å; Y121-I123 PolarHBondContact O-N 3.33Å; I123-E125 VanDerWaalsContact C-N 3.33Å; I123-E125 PolarHBondContact O-N 3.32Å; I123-G126 PolarHBondContact O-N 3Å; I123-I127 HydrophobicContact CG2-CD1 3.93Å; I123-I127 WeakPolarHBondContact O-CG1 3.48Å; I123-I127 PolarHBondContact O-N 3.45Å
124	F	96.7	Very high	94.9	Very high	67 Å²	67	77.6 Å²	77.6	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-36.7	-179	-67.6	-54.2	0	0	0	112.2	L93 L96 A97 L100 C120 Y121 I127 A128	L93-F124 HydrophobicContact CD1-CE2 3.51Å; L93-F124 HydrophobicContact CD1-CZ 3.86Å; L93-F124 HydrophobicContact CG-CE2 3.99Å; L96-F124 HydrophobicContact CD2-CE1 4.39Å; L96-F124 HydrophobicContact CD2-CZ 4.16Å; L96-F124 HydrophobicContact CG-CE1 4.48Å; L96-F124 HydrophobicContact CG-CZ 4.3Å; A97-F124 HydrophobicContact CB-CE2 4.26Å; A97-F124 HydrophobicContact CB-CZ 4.06Å; L100-F124 HydrophobicContact CD1-CD1 4.19Å; L100-F124 HydrophobicContact CD1-CE1 3.57Å; C120-F124 HydrophobicContact CB-CD2 4.32Å; C120-F124 HydrophobicContact CB-CE2 4.07Å; C120-F124 WeakPolarHBondContact O-CD2 3.43Å; C120-F124 WeakPolarHBondContact O-CG 3.48Å; C120-F124 PolarHBondContact O-N 2.97Å; Y121-F124 PolarHBondContact O-N 3.07Å; F124-I127 PolarHBondContact O-N 2.93Å; F124-A128 VanDerWaalsContact O-CB 3.31Å; F124-A128 WeakPolarHBondContact O-CB 3.39Å; F124-A128 PolarHBondContact O-N 2.85Å
125	E	96.8	Very high	94.6	Very high	68 Å²	68	75.9 Å²	75.9	32%	0.318	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-43.9	173.9	-166.4	-165.7	174.5	0	0	111.3	Y121 I123 A128 K129	Y121-E125 WeakPolarHBondContact CE1-OE2 3.48Å; Y121-E125 VanDerWaalsContact O-CB 3.24Å; Y121-E125 WeakPolarHBondContact O-CB 3.31Å; Y121-E125 PolarHBondContact O-N 3.26Å; I123-E125 VanDerWaalsContact C-N 3.33Å; I123-E125 PolarHBondContact O-N 3.32Å; E125-A128 PolarHBondContact O-N 2.87Å; E125-K129 VanDerWaalsContact CD-NZ 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.36Å; E125-K129 PolarHBondContact O-N 3.36Å; E125-K129 WeakPolarHBondContact OE1-CE 3.49Å; E125-K129 IonicContact OE1-NZ 3.83Å; E125-K129 PolarHBondContact OE1-NZ 3.27Å; E125-K129 IonicContact OE2-NZ 3.66Å
126	G	96	Very high	94.5	Very high	28 Å²	28	79.6 Å²	79.6	29%	0.289	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-46.1	175.8	0	0	0	0	0	112.5	T122 I123 A128 K129 I130	T122-G126 PolarHBondContact O-N 3.09Å; I123-G126 PolarHBondContact O-N 3Å; G126-A128 VanDerWaalsContact C-N 3.34Å; G126-A128 PolarHBondContact O-N 3.48Å; G126-K129 PolarHBondContact O-N 3.49Å; G126-I130 WeakPolarHBondContact O-CG1 3.47Å; G126-I130 PolarHBondContact O-N 3.4Å
127	I	94.4	Very high	94.2	Very high	55 Å²	55	81.6 Å²	81.6	28%	0.282	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-43.6	175.3	-66	168.2	0	0	0	110.6	L100 I123 F124 K129 I130 L131	L100-I127 HydrophobicContact CB-CD1 3.84Å; L100-I127 HydrophobicContact CD1-CD1 3.7Å; L100-I127 HydrophobicContact CD2-CD1 4.49Å; L100-I127 HydrophobicContact CG-CD1 4.22Å; I123-I127 HydrophobicContact CG2-CD1 3.93Å; I123-I127 WeakPolarHBondContact O-CG1 3.48Å; I123-I127 PolarHBondContact O-N 3.45Å; F124-I127 PolarHBondContact O-N 2.93Å; I127-K129 VanDerWaalsContact C-N 3.3Å; I127-K129 PolarHBondContact O-N 2.79Å; I127-I130 PolarHBondContact O-N 2.97Å; I127-L131 HydrophobicContact CG2-CD1 3.98Å; I127-L131 HydrophobicContact CG2-CG 4.34Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 2.91Å
128	A	93.1	Very high	93.8	Very high	45 Å²	45	81.7 Å²	81.7	37%	0.372	42%	0.416	S	S	.	.	H	α-helix	trans	-62.1	-37.1	177.6	0	0	0	0	0	112.4	F124 E125 G126 K132	F124-A128 VanDerWaalsContact O-CB 3.31Å; F124-A128 WeakPolarHBondContact O-CB 3.39Å; F124-A128 PolarHBondContact O-N 2.85Å; E125-A128 PolarHBondContact O-N 2.87Å; G126-A128 VanDerWaalsContact C-N 3.34Å; G126-A128 PolarHBondContact O-N 3.48Å; A128-K132 WeakPolarHBondContact O-CG 3.31Å; A128-K132 PolarHBondContact O-N 3.44Å; A128-K132 VanDerWaalsContact O-N 3.16Å
129	K	95	Very high	93.3	Very high	107 Å²	107	83.1 Å²	83.1	47%	0.465	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-48.6	173.4	-73.1	171.7	-177.7	165.9	0	111.4	E125 G126 I127 L131 K132 D133	E125-K129 VanDerWaalsContact CD-NZ 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.36Å; E125-K129 PolarHBondContact O-N 3.36Å; E125-K129 WeakPolarHBondContact OE1-CE 3.49Å; E125-K129 IonicContact OE1-NZ 3.83Å; E125-K129 PolarHBondContact OE1-NZ 3.27Å; E125-K129 IonicContact OE2-NZ 3.66Å; G126-K129 PolarHBondContact O-N 3.49Å; I127-K129 VanDerWaalsContact C-N 3.3Å; I127-K129 PolarHBondContact O-N 2.79Å; K129-L131 VanDerWaalsContact C-N 3.29Å; K129-L131 PolarHBondContact O-N 3.46Å; K129-K132 WeakPolarHBondContact O-CB 3.37Å; K129-K132 PolarHBondContact O-N 3.48Å; K129-D133 PolarHBondContact O-N 2.97Å
130	I	93.9	Very high	93	Very high	92 Å²	92	88.3 Å²	88.3	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-57.5	-41.7	177.6	-67.1	164.8	0	0	0	111.7	G126 I127 K132 D133 R134 L137	G126-I130 WeakPolarHBondContact O-CG1 3.47Å; G126-I130 PolarHBondContact O-N 3.4Å; I127-I130 PolarHBondContact O-N 2.97Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 3.45Å; I130-D133 PolarHBondContact O-N 3.21Å; I130-R134 PolarHBondContact O-N 3.07Å; I130-L137 HydrophobicContact CG2-CD1 3.88Å
131	L	92.4	Very high	92.5	Very high	40 Å²	40	92.8 Å²	92.8	21%	0.209	46%	0.46	C	S	.	.	H	α-helix	trans	-68.8	-29.4	178.4	-70.2	175.5	0	0	0	113.1	I127 K129 R134 L137 L138 L141	I127-L131 HydrophobicContact CG2-CD1 3.98Å; I127-L131 HydrophobicContact CG2-CG 4.34Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 2.91Å; K129-L131 VanDerWaalsContact C-N 3.29Å; K129-L131 PolarHBondContact O-N 3.46Å; L131-R134 CarbonylContact O-C 3.59Å; L131-L137 HydrophobicContact CD2-CB 4.07Å; L131-L138 HydrophobicContact CD2-CB 4.22Å; L131-L141 HydrophobicContact CD1-CD2 4.3Å
132	K	92.5	Very high	92	Very high	171 Å²	171	91.1 Å²	91.1	74%	0.743	46%	0.458	S	S	*	.	H	α-helix	trans	-72.9	-41.8	173.1	-75.4	175.4	179.3	-176.3	0	111.8	A128 K129 I130 R134	A128-K132 WeakPolarHBondContact O-CG 3.31Å; A128-K132 PolarHBondContact O-N 3.44Å; A128-K132 VanDerWaalsContact O-N 3.16Å; K129-K132 WeakPolarHBondContact O-CB 3.37Å; K129-K132 PolarHBondContact O-N 3.48Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 3.45Å; K132-R134 VanDerWaalsContact C-N 3.34Å
133	D	94.2	Very high	91.5	Very high	132 Å²	132	92 Å²	92	71%	0.706	46%	0.459	S	S	*	.	H	α-helix	trans	-73.3	-28	-178.4	-63.5	-18.5	0	0	0	112.3	K129 I130	K129-D133 PolarHBondContact O-N 2.97Å; I130-D133 PolarHBondContact O-N 3.21Å
134	R	91.7	Very high	91.1	Very high	165 Å²	165	96.8 Å²	96.8	62%	0.623	48%	0.484	S	S	*	.			trans	-129.1	81.7	-179.6	-66	-176	177	167.1	-0.4	111.1	I130 L131 K132 E136 L137	I130-R134 PolarHBondContact O-N 3.07Å; L131-R134 CarbonylContact O-C 3.59Å; K132-R134 VanDerWaalsContact C-N 3.34Å; R134-E136 PolarHBondContact O-N 3.44Å; R134-E136 VanDerWaalsContact O-N 3.12Å; R134-L137 HydrophobicContact CB-CD1 3.88Å; R134-L137 HydrophobicContact CB-CG 4Å; R134-L137 WeakPolarHBondContact O-CB 3.47Å; R134-L137 PolarHBondContact O-N 2.99Å
135	P	90.2	Very high	90.6	Very high	86 Å²	86	96 Å²	96	56%	0.558	49%	0.49	S	S	*	.	H	α-helix	trans	-62	-23.7	-178.3	25.4	-34.9	0	0	0	113.2	L137 L138 S139	P135-L137 PolarHBondContact O-N 2.92Å; P135-L138 WeakPolarHBondContact O-CB 3.43Å; P135-L138 PolarHBondContact O-N 2.9Å; P135-L138 VanDerWaalsContact O-N 3.07Å; P135-S139 PolarHBondContact O-N 3.25Å; P135-S139 VanDerWaalsContact O-N 3.16Å
136	E	90.6	Very high	90	Very high	158 Å²	158	95.3 Å²	95.3	74%	0.738	49%	0.493	S	S	*	.	H	α-helix	trans	-58	-34.9	173.3	-62.4	180	-178.5	0	0	112.7	R134 L138 R140	R134-E136 PolarHBondContact O-N 3.44Å; R134-E136 VanDerWaalsContact O-N 3.12Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-R140 WeakPolarHBondContact O-CG 3.32Å; E136-R140 PolarHBondContact O-N 3.02Å; E136-R140 VanDerWaalsContact O-N 3.12Å
137	L	89.4	Confident	89.5	Confident	55 Å²	55	96.5 Å²	96.5	29%	0.288	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-34.7	176.5	-65.1	179.8	0	0	0	111.7	I130 L131 R134 P135 R140 L141	I130-L137 HydrophobicContact CG2-CD1 3.88Å; L131-L137 HydrophobicContact CD2-CB 4.07Å; R134-L137 HydrophobicContact CB-CD1 3.88Å; R134-L137 HydrophobicContact CB-CG 4Å; R134-L137 WeakPolarHBondContact O-CB 3.47Å; R134-L137 PolarHBondContact O-N 2.99Å; P135-L137 PolarHBondContact O-N 2.92Å; L137-R140 PolarHBondContact O-N 3.01Å; L137-L141 WeakPolarHBondContact O-CB 3.47Å; L137-L141 PolarHBondContact O-N 3.46Å
138	L	86.2	Confident	88.8	Confident	90 Å²	90	96.9 Å²	96.9	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-45	176.8	-173	150.1	0	0	0	110.8	L131 P135 E136 R140 L141 H142	L131-L138 HydrophobicContact CD2-CB 4.22Å; P135-L138 WeakPolarHBondContact O-CB 3.43Å; P135-L138 PolarHBondContact O-N 2.9Å; P135-L138 VanDerWaalsContact O-N 3.07Å; E136-L138 VanDerWaalsContact C-N 3.35Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.78Å; L138-L141 PolarHBondContact O-N 3.23Å; L138-H142 WeakPolarHBondContact O-CB 3.45Å; L138-H142 PolarHBondContact O-N 3.03Å
139	S	85.7	Confident	87.7	Confident	66 Å²	66	101.5 Å²	101.5	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-60.7	-43.6	174.9	-60.1	0	0	0	0	111.9	P135 H142 N143	P135-S139 PolarHBondContact O-N 3.25Å; P135-S139 VanDerWaalsContact O-N 3.16Å; S139-H142 PolarHBondContact O-N 2.83Å; S139-N143 VanDerWaalsContact O-CG 3.23Å; S139-N143 PolarHBondContact O-N 3.24Å; S139-N143 PolarHBondContact O-ND2 2.95Å
140	R	87.3	Confident	86.2	Confident	164 Å²	164	103.9 Å²	103.9	62%	0.619	53%	0.534	S	S	*	.	H	α-helix	trans	-63	-42.2	175.8	-72.6	176	64.4	-170.9	-0.5	112.3	E136 L137 L138 N143 L144	E136-R140 WeakPolarHBondContact O-CG 3.32Å; E136-R140 PolarHBondContact O-N 3.02Å; E136-R140 VanDerWaalsContact O-N 3.12Å; L137-R140 PolarHBondContact O-N 3.01Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.78Å; R140-N143 PolarHBondContact O-N 2.92Å; R140-L144 WeakPolarHBondContact O-CG 3.5Å; R140-L144 PolarHBondContact O-N 2.92Å
141	L	86.3	Confident	84.6	Confident	97 Å²	97	103.8 Å²	103.8	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-63.2	-43.3	177.1	-177.1	69.2	0	0	0	111.3	L131 L137 L138 N143 L144 A145	L131-L141 HydrophobicContact CD1-CD2 4.3Å; L137-L141 WeakPolarHBondContact O-CB 3.47Å; L137-L141 PolarHBondContact O-N 3.46Å; L138-L141 PolarHBondContact O-N 3.23Å; L141-N143 VanDerWaalsContact C-N 3.35Å; L141-N143 PolarHBondContact O-N 3.15Å; L141-L144 PolarHBondContact O-N 3.2Å; L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 2.92Å
142	H	85.9	Confident	83.1	Confident	120 Å²	120	109.8 Å²	109.8	56%	0.556	56%	0.562	S	S	*	*	H	α-helix	trans	-60.4	-45.6	176	-170.8	-84.9	0	0	0	111.1	L138 S139 L144 A145 S146	L138-H142 WeakPolarHBondContact O-CB 3.45Å; L138-H142 PolarHBondContact O-N 3.03Å; S139-H142 PolarHBondContact O-N 2.83Å; H142-L144 PolarHBondContact O-N 3.08Å; H142-A145 PolarHBondContact O-N 3.36Å; H142-S146 PolarHBondContact O-N 3.33Å; H142-S146 PolarHBondContact O-OG 3.44Å
143	N	87.7	Confident	81.3	Confident	108 Å²	108	108.9 Å²	108.9	58%	0.578	57%	0.566	S	S	*	*	H	α-helix	trans	-61.2	-41.5	176.9	-68.2	-15.1	0	0	0	112.4	S139 R140 L141 S146 A147	S139-N143 VanDerWaalsContact O-CG 3.23Å; S139-N143 PolarHBondContact O-N 3.24Å; S139-N143 PolarHBondContact O-ND2 2.95Å; R140-N143 PolarHBondContact O-N 2.92Å; L141-N143 VanDerWaalsContact C-N 3.35Å; L141-N143 PolarHBondContact O-N 3.15Å; N143-S146 PolarHBondContact O-N 2.94Å; N143-A147 WeakPolarHBondContact O-CB 3.44Å; N143-A147 PolarHBondContact O-N 3.23Å
144	L	86.9	Confident	79.7	Confident	118 Å²	118	108.7 Å²	108.7	62%	0.618	56%	0.563	S	S	*	*	H	α-helix	trans	-65.7	-40.9	175.3	-71.9	172.6	0	0	0	112.3	R140 L141 H142 A147 S148	R140-L144 WeakPolarHBondContact O-CG 3.5Å; R140-L144 PolarHBondContact O-N 2.92Å; L141-L144 PolarHBondContact O-N 3.2Å; H142-L144 PolarHBondContact O-N 3.08Å; L144-A147 PolarHBondContact O-N 2.87Å; L144-S148 WeakPolarHBondContact O-CB 3.3Å; L144-S148 PolarHBondContact O-N 2.86Å
145	A	86.2	Confident	78.1	Confident	50 Å²	50	109.4 Å²	109.4	41%	0.413	57%	0.571	S	S	.	*	H	α-helix	trans	-63.8	-42.4	177.3	0	0	0	0	0	111.4	L141 H142 S148 Q149	L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 2.92Å; H142-A145 PolarHBondContact O-N 3.36Å; A145-S148 PolarHBondContact O-N 2.9Å; A145-Q149 WeakPolarHBondContact O-CG 3.43Å; A145-Q149 PolarHBondContact O-N 3.05Å
146	S	85.4	Confident	76.4	Confident	55 Å²	55	110.9 Å²	110.9	39%	0.385	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-46.6	174.5	-61.4	0	0	0	0	112	H142 N143 S148 Q149 E150	H142-S146 PolarHBondContact O-N 3.33Å; H142-S146 PolarHBondContact O-OG 3.44Å; N143-S146 PolarHBondContact O-N 2.94Å; S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 3.13Å; S146-Q149 PolarHBondContact O-N 3.21Å; S146-E150 PolarHBondContact O-N 3.14Å
147	A	84.8	Confident	74.6	Confident	52 Å²	52	109.7 Å²	109.7	43%	0.43	58%	0.578	S	S	.	*	H	α-helix	trans	-61	-36.1	177.6	0	0	0	0	0	112.4	N143 L144 Q149 E150	N143-A147 WeakPolarHBondContact O-CB 3.44Å; N143-A147 PolarHBondContact O-N 3.23Å; L144-A147 PolarHBondContact O-N 2.87Å; A147-Q149 VanDerWaalsContact C-N 3.3Å; A147-Q149 PolarHBondContact O-N 2.9Å; A147-E150 PolarHBondContact O-N 3.28Å
148	S	79.3	Confident	72.6	Confident	64 Å²	64	112.5 Å²	112.5	45%	0.448	60%	0.602	S	S	.	*	H	α-helix	trans	-70.8	-21.3	176.2	179	0	0	0	0	113.9	L144 A145 S146 T151	L144-S148 WeakPolarHBondContact O-CB 3.3Å; L144-S148 PolarHBondContact O-N 2.86Å; A145-S148 PolarHBondContact O-N 2.9Å; S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 3.13Å; S148-T151 PolarHBondContact O-OG1 3.29Å
149	Q	70.6	Confident	70.5	Confident	142 Å²	142	117 Å²	117	66%	0.664	62%	0.62	S	S	*	*	H	α-helix	trans	-79.8	-31.6	176.2	-73	-178.9	3.4	0	0	111.7	A145 S146 A147 T151 K152	A145-Q149 WeakPolarHBondContact O-CG 3.43Å; A145-Q149 PolarHBondContact O-N 3.05Å; S146-Q149 PolarHBondContact O-N 3.21Å; A147-Q149 VanDerWaalsContact C-N 3.3Å; A147-Q149 PolarHBondContact O-N 2.9Å; Q149-T151 VanDerWaalsContact C-N 3.3Å; Q149-T151 PolarHBondContact O-N 2.82Å; Q149-K152 PolarHBondContact O-N 3.4Å
150	E	62.5	Low	68.7	Low	157 Å²	157	119.4 Å²	119.4	73%	0.734	64%	0.637	S	S	*	*	H	α-helix	trans	-66.3	-31.9	-178	-162.6	163	-164.1	0	0	112.6	S146 A147 K152	S146-E150 PolarHBondContact O-N 3.14Å; A147-E150 PolarHBondContact O-N 3.28Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 2.88Å
151	T	60.1	Low	66.7	Low	89 Å²	89	116 Å²	116	55%	0.546	64%	0.638	S	S	.	*	G	3₁₀ helix	trans	-75.3	-11.7	-179.9	59	0	0	0	0	114.7	S148 Q149 N153	S148-T151 PolarHBondContact O-OG1 3.29Å; Q149-T151 VanDerWaalsContact C-N 3.3Å; Q149-T151 PolarHBondContact O-N 2.82Å; T151-N153 VanDerWaalsContact C-N 3.29Å; T151-N153 PolarHBondContact O-N 3.3Å
152	K	60.7	Low	64.8	Low	167 Å²	167	118.3 Å²	118.3	73%	0.726	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-81.9	-5.4	179.1	-65.1	-176.4	-176.2	178.2	0	114	Q149 E150	Q149-K152 PolarHBondContact O-N 3.4Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 2.88Å
153	N	55.7	Low	62.9	Low	152 Å²	152	117.4 Å²	117.4	81%	0.813	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-91.1	5.7	174.5	-90.1	-30.1	0	0	0	114.1	T151 K155	T151-N153 VanDerWaalsContact C-N 3.29Å; T151-N153 PolarHBondContact O-N 3.3Å; N153-K155 PolarHBondContact O-N 2.73Å; N153-K155 VanDerWaalsContact O-N 3.14Å
154	I	61.2	Low	61.1	Low	128 Å²	128	119.4 Å²	119.4	66%	0.656	67%	0.668	S	S	*	*	S	Bend	trans	-77.4	104.5	170.3	-56	175.7	0	0	0	107.8
155	K	57.4	Low	58.8	Low	180 Å²	180	120.9 Å²	120.9	78%	0.783	68%	0.676	S	S	*	*			trans	-40.7	132.2	172.5	-158.2	174.3	-174	-179.2	0	110.3	N153 I157	N153-K155 PolarHBondContact O-N 2.73Å; N153-K155 VanDerWaalsContact O-N 3.14Å; K155-I157 PolarHBondContact O-N 2.75Å
156	P	54	Low	56.9	Low	117 Å²	117	126.3 Å²	126.3	76%	0.76	70%	0.697	S	S	*	*			trans	-61	115.4	178.8	24.3	-30.7	0	0	0	108.4	S158	P156-S158 PolarHBondContact O-N 2.97Å
157	I	53.9	Low	55.2	Low	132 Å²	132	131.3 Å²	131.3	68%	0.677	71%	0.714	S	S	*	*			trans	-62.7	110.3	171.4	-67	169.2	0	0	0	105.8	K155 H159	K155-I157 PolarHBondContact O-N 2.75Å; I157-H159 PolarHBondContact O-N 3.11Å
158	S	47.5	Very low	53	Low	114 Å²	114	134.4 Å²	134.4	80%	0.797	73%	0.729	S	S	*	*			trans	-54.8	109.6	171	-64.4	0	0	0	0	108.9	P156 S160	P156-S158 PolarHBondContact O-N 2.97Å; S158-S160 VanDerWaalsContact C-N 3.3Å; S158-S160 PolarHBondContact O-N 2.98Å
159	H	42.3	Very low	51.3	Low	186 Å²	186	137.7 Å²	137.7	86%	0.861	74%	0.742	S	S	*	*			trans	-70.2	90	166.4	-59	-75.8	0	0	0	108	I157	I157-H159 PolarHBondContact O-N 3.11Å
160	S	47	Very low	50.1	Low	115 Å²	115	138.6 Å²	138.6	80%	0.804	75%	0.751	S	S	*	*			trans	-97.9	113.7	157.4	-174.3	0	0	0	0	107	S158	S158-S160 VanDerWaalsContact C-N 3.3Å; S158-S160 PolarHBondContact O-N 2.98Å
161	S	44.6	Very low	49	Very low	92 Å²	92	138.7 Å²	138.7	64%	0.643	76%	0.756	S	S	*	*			trans	-57.1	160.1	169.6	-51.6	0	0	0	0	111.2
162	D	46.5	Very low	47.8	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	77%	0.77	S	S	*	*			trans	97.9	82.7	162.5	-50.4	-21.1	0	0	0	117
163	S	46	Very low	46.6	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	77%	0.773	S	S	*	*				80.2	134	122.9	79.2	0	0	0	0	120
164	I	50.9	Low	45.9	Very low	150 Å²	150	140 Å²	140	77%	0.769	78%	0.775	S	S	*	*			trans	87.8	86.1	155.4	-46.2	153.2	0	0	0	117.2
165	N	38.9	Very low	44.5	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	78%	0.782	S	S	*	*				14.8	114.6	128.6	-164.5	14.9	0	0	0	117.4
166	I	45.4	Very low	43.7	Very low	164 Å²	164	139.6 Å²	139.6	84%	0.841	79%	0.786	S	S	*	*			trans	-167	144	143.8	-87.2	136.8	0	0	0	109.6
167	Q	50.5	Low	43.1	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.743	78%	0.781	S	S	*	*			trans	-48.2	156.7	-169	-75.7	-172.9	2.9	0	0	119.2
168	P	39	Very low	42.6	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	79%	0.79	S	S	*	*			trans	-91.4	115.6	168.8	35.1	-24.3	0	0	0	110.6
169	N	42.7	Very low	42	Very low	134 Å²	134	145.4 Å²	145.4	72%	0.717	80%	0.795	S	S	*	*			trans	-147.1	149.9	157.2	-89	-28.4	0	0	0	108
170	D	45	Very low	42.1	Very low	160 Å²	160	146.1 Å²	146.1	86%	0.856	80%	0.796	S	S	*	*			trans	96.1	69.5	176.7	-49.6	-21.6	0	0	0	116.1
171	L	39.6	Very low	42.1	Very low	159 Å²	159	149.1 Å²	149.1	83%	0.832	80%	0.801	S	S	*	*			trans	-54.9	147.7	138.3	-82.5	133.4	0	0	0	110.1
172	N	35.7	Very low	41.9	Very low	156 Å²	156	151.2 Å²	151.2	83%	0.834	80%	0.8	S	S	*	*			trans	98.5	87.8	165	-55.8	-27.3	0	0	0	116.9
173	S	35.6	Very low	41.5	Very low	114 Å²	114	153.7 Å²	153.7	80%	0.797	80%	0.799	S	S	*	*			trans	178.7	98	136.7	171.9	0	0	0	0	108.4
174	L	39.9	Very low	41.4	Very low	165 Å²	165	156.2 Å²	156.2	86%	0.864	80%	0.804	S	S	*	*			trans	173	58.5	130.5	-147.9	67.8	0	0	0	110.1
175	S	31.6	Very low	40.8	Very low	113 Å²	113	154 Å²	154	79%	0.79	80%	0.802	S	S	*	*			trans	-97.4	96.3	164.8	-50	0	0	0	0	107
176	Q	41.7	Very low	41.1	Very low	187 Å²	187	154.9 Å²	154.9	87%	0.874	81%	0.805	S	S	*	*			trans	177.6	141.9	152.2	-99.1	157.3	37.2	0	0	111.6
177	S	41.7	Very low	40.8	Very low	93 Å²	93	152.6 Å²	152.6	65%	0.65	80%	0.801	S	S	*	*	S	Bend	trans	87.2	112.9	179.1	102.1	0	0	0	0	113.6
178	F	42.3	Very low	40.3	Very low	199 Å²	199	154.1 Å²	154.1	87%	0.873	81%	0.81	S	S	*	*			cis	-149.1	123.4	15.7	-76.7	-87.8	0	0	0	110.6
179	H	34.9	Very low	40.6	Very low	194 Å²	194	155.7 Å²	155.7	90%	0.898	81%	0.812	S	S	*	*			trans	-85.2	121.1	158.9	-88.7	-74.7	0	0	0	109.2
180	K	45.5	Very low	40.5	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	81%	0.814	S	S	*	*			trans	165.2	111	139.8	-101.6	177.9	174.1	-176.1	0	108.8
181	I	45.7	Very low	40.3	Very low	178 Å²	178	153.8 Å²	153.8	91%	0.913	81%	0.808	S	S	*	*				-168.9	129.2	121.9	-87.7	147.8	0	0	0	106.6
182	E	40.5	Very low	40.2	Very low	136 Å²	136	154.1 Å²	154.1	64%	0.636	81%	0.811	S	S	*	*			trans	-101	142.8	-162.1	-178.1	179.5	172	0	0	110.1
183	R	39.1	Very low	40.3	Very low	198 Å²	198	155.2 Å²	155.2	75%	0.747	82%	0.815	S	S	*	*			trans	40.1	113.5	150.8	-60.8	170.8	-179.8	150.7	-7.9	118.1
184	N	43.7	Very low	40.2	Very low	156 Å²	156	154.7 Å²	154.7	83%	0.834	81%	0.812	S	S	*	*				-172.9	133.3	107.6	-82.8	-22.7	0	0	0	111.2
185	S	37.3	Very low	40.1	Very low	102 Å²	102	153.6 Å²	153.6	71%	0.713	81%	0.812	S	S	*	*			trans	-21	139.2	165.3	47.1	0	0	0	0	118.3
186	I	45.3	Very low	41	Very low	168 Å²	168	157.1 Å²	157.1	86%	0.862	81%	0.813	S	S	*	*			trans	170	147.7	136.8	-85.9	155.1	0	0	0	108.9
187	P	39.1	Very low	41.1	Very low	116 Å²	116	153.2 Å²	153.2	75%	0.753	80%	0.804	S	S	*	*			trans	-92.6	155.4	-139.3	35.3	-31.8	0	0	0	115.8
188	M	40.3	Very low	41.1	Very low	192 Å²	192	154.6 Å²	154.6	95%	0.946	81%	0.814	S	S	*	*			trans	-55.8	130.9	173.9	-75.6	-78.5	-158	0	0	112.8
189	N	46.3	Very low	41.6	Very low	149 Å²	149	151.9 Å²	151.9	80%	0.797	81%	0.807	S	S	*	*			trans	-124.6	119.8	167.6	-144.7	-4	0	0	0	108.5
190	P	39.5	Very low	41.8	Very low	117 Å²	117	150.7 Å²	150.7	76%	0.76	81%	0.807	S	S	*	*			trans	-104.4	82.1	-170	37.1	-29	0	0	0	111.5
191	L	41.2	Very low	41.6	Very low	137 Å²	137	147.9 Å²	147.9	72%	0.717	80%	0.801	S	S	*	*			trans	-152.7	92.2	173.4	-96.8	164	0	0	0	111
192	N	37.3	Very low	41.5	Very low	167 Å²	167	147.3 Å²	147.3	89%	0.893	79%	0.794	S	S	*	*			trans	-152.5	68.4	161.5	-89.6	-33.1	0	0	0	109.6
193	L	36.9	Very low	41.6	Very low	179 Å²	179	147.7 Å²	147.7	94%	0.937	80%	0.8	S	S	*	*			trans	-129.3	84.2	164.7	-99	95.3	0	0	0	109.6
194	S	34.3	Very low	41.9	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	80%	0.8	S	S	*	*			trans	-158.1	73.7	153.2	73.8	0	0	0	0	110.9
195	T	38.2	Very low	41.8	Very low	141 Å²	141	147.3 Å²	147.3	87%	0.865	80%	0.802	S	S	*	*			trans	-119.9	85.9	162.1	-53.2	0	0	0	0	107.1
196	F	50.6	Low	42.6	Very low	188 Å²	188	150.3 Å²	150.3	83%	0.825	81%	0.807	S	S	*	*			trans	-77.7	126.9	167.4	-75.9	-79.5	0	0	0	108.5	S198	F196-S198 PolarHBondContact O-N 3.02Å
197	P	44.2	Very low	42.3	Very low	104 Å²	104	151.1 Å²	151.1	68%	0.675	80%	0.804	S	S	*	*			trans	-70.8	125.3	172.6	28.9	-29.7	0	0	0	108.4	I199	P197-I199 PolarHBondContact O-N 3.01Å
198	S	41.2	Very low	42.6	Very low	122 Å²	122	153.4 Å²	153.4	85%	0.853	81%	0.81	S	S	*	*			trans	-67.3	97.1	168.8	-64.3	0	0	0	0	108.3	F196 N200	F196-S198 PolarHBondContact O-N 3.02Å; S198-N200 PolarHBondContact O-N 3.37Å
199	I	52.8	Low	42.7	Very low	143 Å²	143	151.2 Å²	151.2	73%	0.733	80%	0.802	S	S	*	*			trans	-69.4	107	169.5	27.6	170.4	0	0	0	108.9	P197 L201	P197-I199 PolarHBondContact O-N 3.01Å; I199-L201 HydrophobicContact CD1-CD1 4.48Å; I199-L201 PolarHBondContact O-N 3.18Å
200	N	38.5	Very low	42.7	Very low	168 Å²	168	149.5 Å²	149.5	90%	0.898	80%	0.802	S	S	*	*			trans	-62.4	103.9	160.8	-95.2	-40.4	0	0	0	108.5	S198 H202	S198-N200 PolarHBondContact O-N 3.37Å; N200-H202 PolarHBondContact O-N 3.38Å
201	L	42.3	Very low	42.6	Very low	142 Å²	142	150.8 Å²	150.8	74%	0.743	80%	0.802	S	S	*	*			trans	-82.6	98.5	164.1	-93.5	112	0	0	0	109	I199	I199-L201 HydrophobicContact CD1-CD1 4.48Å; I199-L201 PolarHBondContact O-N 3.18Å
202	H	43.1	Very low	42.8	Very low	165 Å²	165	152.9 Å²	152.9	76%	0.764	81%	0.813	S	S	*	*			trans	-81	107.7	163.1	-176.3	68.6	0	0	0	107.6	N200 Q204	N200-H202 PolarHBondContact O-N 3.38Å; H202-Q204 PolarHBondContact O-N 2.92Å
203	N	41.7	Very low	42.9	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	81%	0.808	S	S	*	*			trans	-71.8	113.7	173.9	-75.9	-16.6	0	0	0	109.3
204	Q	45.4	Very low	43.2	Very low	159 Å²	159	149.1 Å²	149.1	74%	0.743	80%	0.803	S	S	*	*			trans	-105.5	107.6	166.1	-164.6	171.9	59.4	0	0	107.7	H202	H202-Q204 PolarHBondContact O-N 2.92Å
205	E	42.8	Very low	43.5	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.874	80%	0.804	S	S	*	*			trans	-82.1	120.8	-177.1	-166.2	175	-160.1	0	0	109.6
206	M	52.8	Low	43.7	Very low	166 Å²	166	150.5 Å²	150.5	82%	0.818	80%	0.804	S	S	*	*			trans	-101.9	113	169.9	-80.5	-70.1	173.5	0	0	109.4
207	K	40.3	Very low	43.1	Very low	184 Å²	184	146.1 Å²	146.1	80%	0.8	80%	0.795	S	S	*	*			trans	-51.7	139.7	162.9	-73.5	168.3	171.7	173.7	0	110.4
208	N	45.8	Very low	42.9	Very low	165 Å²	165	148.6 Å²	148.6	88%	0.882	80%	0.801	S	S	*	*			trans	-163.1	137.8	132.8	-90.3	-23.3	0	0	0	112.2
209	N	40.6	Very low	42.6	Very low	146 Å²	146	147.3 Å²	147.3	78%	0.781	79%	0.792	S	S	*	*			trans	-77	156.1	-165.6	-59.5	-39.4	0	0	0	114.4
210	S	47.1	Very low	42	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	79%	0.794	S	S	*	*				154.4	106	114.8	50.8	0	0	0	0	109.5
211	N	37.7	Very low	42.1	Very low	145 Å²	145	142.4 Å²	142.4	78%	0.775	78%	0.784	S	S	*	*				57.4	106.6	96.4	-92.6	-8.3	0	0	0	114
212	L	45.4	Very low	42.4	Very low	180 Å²	180	144.3 Å²	144.3	94%	0.942	79%	0.786	S	S	*	*			trans	-160.3	109.8	139	-104.4	151.4	0	0	0	110.3
213	N	38.7	Very low	42.3	Very low	146 Å²	146	143.9 Å²	143.9	78%	0.781	79%	0.788	S	S	*	*			trans	-67.6	139.8	173.5	-63.3	-45.4	0	0	0	110.8
214	S	44.8	Very low	42.4	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	79%	0.786	S	S	*	*			trans	-146.6	104.5	144.1	58.2	0	0	0	0	109.9
215	S	39.2	Very low	42.2	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	78%	0.784	S	S	*	*			trans	-64.6	148.1	163.2	37	0	0	0	0	111.4
216	I	43.6	Very low	42.2	Very low	168 Å²	168	140.3 Å²	140.3	86%	0.862	78%	0.775	S	S	*	*			trans	-175.5	147.4	133.8	-91.8	150.3	0	0	0	110.2
217	P	38	Very low	42	Very low	97 Å²	97	138.3 Å²	138.3	63%	0.63	78%	0.777	S	S	*	*			trans	-125.4	-168.2	-146.8	32.3	-10.2	0	0	0	114.5
218	L	39.4	Very low	42.4	Very low	156 Å²	156	138.4 Å²	138.4	82%	0.817	78%	0.777	S	S	*	*			trans	77.5	153.5	162.3	-56.1	134.8	0	0	0	115.1
219	S	34	Very low	42.7	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	77%	0.771	S	S	*	*			cis	175.1	139.1	-15.6	-88	0	0	0	0	103.7
220	S	40.8	Very low	42.9	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	78%	0.776	S	S	*	*			trans	164	106.2	153.7	-82	0	0	0	0	109.6
221	S	41.2	Very low	42.8	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	78%	0.781	S	S	*	*				83.2	130.5	75.7	73.5	0	0	0	0	114.2
222	K	47.2	Very low	43.1	Very low	181 Å²	181	141 Å²	141	79%	0.787	78%	0.784	S	S	*	*			trans	125.6	102	159	-68	168.7	-175.2	-176.6	0	112.1
223	I	42.1	Very low	43.1	Very low	156 Å²	156	142.3 Å²	142.3	80%	0.8	78%	0.778	S	S	*	*				62.5	131.9	73.6	-61.5	166.1	0	0	0	108.9
224	L	42.8	Very low	43.7	Very low	140 Å²	140	141.5 Å²	141.5	73%	0.733	78%	0.778	S	S	*	*			cis	176	164.8	-6.6	-175.4	79.8	0	0	0	103.3
225	N	42.2	Very low	43.8	Very low	129 Å²	129	141.6 Å²	141.6	69%	0.69	77%	0.769	S	S	*	*			trans	97.4	91.4	157.1	-63.5	-25.1	0	0	0	119
226	E	42.7	Very low	44.6	Very low	147 Å²	147	141.9 Å²	141.9	69%	0.687	77%	0.767	S	S	*	*				8.7	130.6	119.6	-64.4	-173.3	126.7	0	0	118.2
227	S	49.2	Very low	45.1	Very low	123 Å²	123	143 Å²	143	86%	0.86	77%	0.765	S	S	*	*			trans	-149.1	112.3	137.4	-74.8	0	0	0	0	109.3
228	K	47.2	Very low	46	Very low	186 Å²	186	143.1 Å²	143.1	81%	0.809	77%	0.768	S	S	*	*			trans	-71.9	128.8	170	-70.2	164.2	177.7	159.9	0	108.6
229	S	52.3	Low	46.9	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	77%	0.771	S	S	*	*			trans	-134	112.2	157.4	60.3	0	0	0	0	109.5
230	N	44.4	Very low	47.7	Very low	166 Å²	166	146.2 Å²	146.2	89%	0.888	78%	0.776	S	S	*	*			trans	-52.8	132.4	166.9	-79	-45.7	0	0	0	110.7
231	L	45.1	Very low	48	Very low	169 Å²	169	148.7 Å²	148.7	89%	0.885	78%	0.775	S	S	*	*			trans	-139.1	123.8	154.1	-117.7	130.7	0	0	0	110.2
232	Q	44.8	Very low	48.6	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	78%	0.778	S	S	*	*			trans	-59	136.3	179.9	-84	165.2	-46	0	0	112.4
233	Y	45.5	Very low	49	Very low	209 Å²	209	150 Å²	150	82%	0.82	78%	0.779	S	S	*	*				24.9	102.7	125.8	-102.5	-97	0	0	0	117.2
234	V	51.4	Low	50	Low	128 Å²	128	153.9 Å²	153.9	78%	0.776	78%	0.783	S	S	*	*				-140.2	110.7	128.2	-169.6	0	0	0	0	108.4	T236	V234-T236 HydrophobicContact CG1-CG2 4.16Å; V234-T236 PolarHBondContact O-N 2.91Å
235	N	47	Very low	51	Low	123 Å²	123	153.8 Å²	153.8	66%	0.658	78%	0.783	S	S	*	*			trans	-83.3	90.6	178.2	-171	-1.5	0	0	0	108.7
236	T	55.7	Low	52.1	Low	112 Å²	112	152.5 Å²	152.5	69%	0.687	78%	0.782	S	S	*	*			trans	-101.4	104.2	165.6	55.1	0	0	0	0	109.2	V234 S238	V234-T236 HydrophobicContact CG1-CG2 4.16Å; V234-T236 PolarHBondContact O-N 2.91Å; T236-S238 VanDerWaalsContact C-N 3.25Å; T236-S238 PolarHBondContact O-N 3.3Å
237	K	53.9	Low	53	Low	192 Å²	192	153.5 Å²	153.5	84%	0.835	79%	0.791	S	S	*	*			trans	-61.1	84.1	166.8	-70.7	176.9	177.4	174.5	0	109.6	K239	K237-K239 PolarHBondContact O-N 3.33Å
238	S	57.4	Low	53.8	Low	98 Å²	98	156.7 Å²	156.7	69%	0.685	79%	0.789	S	S	*	*			trans	-77.1	101.9	163.3	66.9	0	0	0	0	107.8	T236 C240	T236-S238 VanDerWaalsContact C-N 3.25Å; T236-S238 PolarHBondContact O-N 3.3Å; S238-C240 VanDerWaalsContact C-N 3.34Å; S238-C240 PolarHBondContact O-N 2.94Å
239	K	58.1	Low	54	Low	203 Å²	203	158.5 Å²	158.5	88%	0.883	79%	0.793	S	S	*	*			trans	-58.2	100.5	162.8	-85.8	175.1	174.7	172.6	0	107.5	K237 H241	K237-K239 PolarHBondContact O-N 3.33Å; K239-H241 VanDerWaalsContact C-N 3.3Å; K239-H241 PolarHBondContact O-N 3.21Å
240	C	50	Low	53.9	Low	112 Å²	112	163.7 Å²	163.7	76%	0.757	80%	0.796	S	S	*	*			trans	-63.9	97.3	164.2	-70.1	0	0	0	0	107.4	S238 T242	S238-C240 VanDerWaalsContact C-N 3.34Å; S238-C240 PolarHBondContact O-N 2.94Å; C240-T242 PolarHBondContact O-N 3.4Å
241	H	48.6	Very low	54.2	Low	165 Å²	165	167.3 Å²	167.3	76%	0.764	80%	0.797	S	S	*	*			trans	-69.9	101.6	171.3	-159.6	-25.6	0	0	0	106.9	K239 F243	K239-H241 VanDerWaalsContact C-N 3.3Å; K239-H241 PolarHBondContact O-N 3.21Å; H241-F243 PolarHBondContact O-N 3.23Å
242	T	53.2	Low	54.2	Low	120 Å²	120	165.2 Å²	165.2	74%	0.736	80%	0.795	S	S	*	*			trans	-56.8	107.1	169.1	-52.1	0	0	0	0	107.6	C240 R244	C240-T242 PolarHBondContact O-N 3.4Å; T242-R244 VanDerWaalsContact C-N 3.33Å; T242-R244 PolarHBondContact O-N 3.2Å
243	F	56.2	Low	54.7	Low	184 Å²	184	164.5 Å²	164.5	81%	0.807	79%	0.789	S	S	*	*			trans	-62.7	98.1	170.5	-88.2	-89.7	0	0	0	107.9	H241 L245	H241-F243 PolarHBondContact O-N 3.23Å; F243-L245 PolarHBondContact O-N 3.14Å
244	R	62.3	Low	55	Low	238 Å²	238	161.7 Å²	161.7	90%	0.898	79%	0.787	S	S	*	*			trans	-76.5	82.7	170.9	-153.1	-179.2	-165.9	-170.4	4.8	106.6	T242	T242-R244 VanDerWaalsContact C-N 3.33Å; T242-R244 PolarHBondContact O-N 3.2Å
245	L	63.9	Low	54.9	Low	138 Å²	138	161.4 Å²	161.4	72%	0.723	78%	0.777	S	S	*	*			trans	-57.2	133.3	175.4	-74.3	172.6	0	0	0	109.4	F243 L247	F243-L245 PolarHBondContact O-N 3.14Å; L245-L247 PolarHBondContact O-N 2.98Å
246	P	65.4	Low	54.7	Low	102 Å²	102	162.4 Å²	162.4	66%	0.662	78%	0.782	S	S	*	*			trans	-56.1	125.4	177.3	-22.9	32	0	0	0	110.4	K248	P246-K248 PolarHBondContact O-N 3.07Å
247	L	60.6	Low	54.4	Low	169 Å²	169	164.4 Å²	164.4	89%	0.885	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	28.6	178.2	-68.8	169.2	0	0	0	113.7	L245	L245-L247 PolarHBondContact O-N 2.98Å
248	K	66.5	Low	53.7	Low	190 Å²	190	161.9 Å²	161.9	83%	0.826	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-4.2	-175.4	-98.8	-172	172.4	-174.3	0	115	P246	P246-K248 PolarHBondContact O-N 3.07Å
249	Y	52.6	Low	53.1	Low	224 Å²	224	162.7 Å²	162.7	88%	0.878	78%	0.78	S	S	*	*			trans	-112.7	64	172.2	-63.2	-79.9	0	0	0	110.9
250	R	49.2	Very low	52.7	Low	218 Å²	218	158.2 Å²	158.2	82%	0.823	77%	0.771	S	S	*	*			trans	-94.5	95.3	171.6	-167.2	177.1	-175	-173.2	-1.8	108.4	C252	R250-C252 PolarHBondContact O-N 2.99Å
251	W	50.6	Low	52.6	Low	241 Å²	241	160 Å²	160	91%	0.913	77%	0.773	S	S	*	*			trans	27.3	91.7	152.6	-65.6	81.4	0	0	0	115.1	K253	W251-K253 PolarHBondContact O-N 2.87Å
252	C	45.9	Very low	52.4	Low	126 Å²	126	161 Å²	161	85%	0.851	77%	0.771	S	S	*	*			trans	-59.7	111	160.3	-96.9	0	0	0	0	108.1	R250 I254	R250-C252 PolarHBondContact O-N 2.99Å; C252-I254 PolarHBondContact O-N 2.68Å; C252-I254 VanDerWaalsContact O-N 3.07Å
253	K	55.3	Low	52.2	Low	162 Å²	162	161.1 Å²	161.1	70%	0.704	77%	0.766	S	S	*	*			trans	-57.8	105.1	163.2	-167.4	-174.3	-178.3	-139.1	0	106.1	W251 E255	W251-K253 PolarHBondContact O-N 2.87Å; K253-E255 IonicContact NZ-OE1 3.46Å; K253-E255 PolarHBondContact NZ-OE1 3.18Å; K253-E255 IonicContact NZ-OE2 2.79Å; K253-E255 PolarHBondContact O-N 3.32Å
254	I	51.2	Low	51.8	Low	151 Å²	151	160.7 Å²	160.7	77%	0.774	77%	0.766	S	S	*	*			trans	-69.5	91.2	167.8	-65.6	169.4	0	0	0	105.2	C252	C252-I254 PolarHBondContact O-N 2.68Å; C252-I254 VanDerWaalsContact O-N 3.07Å
255	E	50.1	Low	51.2	Low	121 Å²	121	154.4 Å²	154.4	57%	0.565	75%	0.754	S	S	*	*			trans	-89.1	111.9	165.8	-162.3	152.5	-119	0	0	105.3	K253 Q257	K253-E255 IonicContact NZ-OE1 3.46Å; K253-E255 PolarHBondContact NZ-OE1 3.18Å; K253-E255 IonicContact NZ-OE2 2.79Å; K253-E255 PolarHBondContact O-N 3.32Å; E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 3.2Å
256	N	42.2	Very low	50.2	Low	144 Å²	144	153.4 Å²	153.4	77%	0.77	75%	0.749	S	S	*	*			trans	-61.7	92.5	175.8	-70.1	-26	0	0	0	108.5
257	Q	49.1	Very low	49.4	Very low	154 Å²	154	152.6 Å²	152.6	72%	0.72	74%	0.742	S	S	*	*			trans	-91.1	122.1	158.2	-66.1	-165.3	33.5	0	0	107.3	E255 T259	E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 3.2Å; Q257-T259 PolarHBondContact O-N 3.25Å
258	N	38.5	Very low	48.8	Very low	139 Å²	139	151.7 Å²	151.7	74%	0.743	73%	0.733	S	S	*	*			trans	-57	97.6	172.6	-60.7	-36.6	0	0	0	109
259	T	45.2	Very low	48.1	Very low	115 Å²	115	146.2 Å²	146.2	71%	0.706	72%	0.719	S	S	*	*			trans	-99.9	85.3	166	48.1	0	0	0	0	108.1	Q257 D261	Q257-T259 PolarHBondContact O-N 3.25Å; T259-D261 VanDerWaalsContact C-N 3.27Å
260	T	49.8	Very low	47.8	Very low	110 Å²	110	140.9 Å²	140.9	68%	0.675	70%	0.701	S	S	*	*			trans	-81.5	5.3	174.9	29.9	0	0	0	0	114.2
261	D	47.9	Very low	47.9	Very low	150 Å²	150	135.4 Å²	135.4	80%	0.802	69%	0.689	S	S	*	*	S	Bend	trans	-114.7	21	-169.4	-65.1	-21.2	0	0	0	115.7	T259	T259-D261 VanDerWaalsContact C-N 3.27Å
262	Y	44.1	Very low	48	Very low	185 Å²	185	129.6 Å²	129.6	73%	0.725	68%	0.676	S	S	*	*	S	Bend	trans	-132.5	13.6	178.9	-132.6	-96	0	0	0	115.9
263	I	49.8	Very low	48.4	Very low	123 Å²	123	127.9 Å²	127.9	63%	0.631	66%	0.661	S	S	*	*	S	Bend	trans	-87.6	-12.5	-172.7	-64.7	-180	0	0	0	113.2
264	H	46.9	Very low	48.3	Very low	175 Å²	175	124.8 Å²	124.8	81%	0.81	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-17.8	-174.6	-158.6	-90	0	0	0	115.3
265	T	50	Low	48.5	Very low	105 Å²	105	124.3 Å²	124.3	64%	0.644	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-12	-175.7	19.9	0	0	0	0	115
266	L	44	Very low	48.8	Very low	117 Å²	117	127 Å²	127	61%	0.613	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-21.1	-179	-154.8	72.6	0	0	0	113.5	Q268 S269	L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 3.22Å; L266-S269 PolarHBondContact O-N 2.88Å
267	V	47.3	Very low	49.2	Very low	86 Å²	86	127.7 Å²	127.7	52%	0.521	66%	0.656	S	S	.	*	H	α-helix	trans	-73.5	-23.1	-179.9	178	0	0	0	0	112.3	N271	V267-N271 PolarHBondContact O-ND2 2.81Å
268	Q	49.1	Very low	49.5	Very low	150 Å²	150	130.7 Å²	130.7	70%	0.701	66%	0.661	S	S	*	*	H	α-helix	trans	-78	-27.8	176.8	-143.2	79.7	18.5	0	0	113.1	L266	L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 3.22Å
269	S	50.7	Low	50.1	Low	75 Å²	75	130 Å²	130	52%	0.524	66%	0.657	S	S	.	*	H	α-helix	trans	-85.1	-26.9	-175	164.4	0	0	0	0	113.3	L266	L266-S269 PolarHBondContact O-N 2.88Å
270	H	45.9	Very low	50.2	Low	111 Å²	111	131.8 Å²	131.8	51%	0.514	66%	0.662	S	S	.	*	H	α-helix	trans	-83.6	-19.8	-173.3	-133.8	-40.1	0	0	0	114.7	I274	H270-I274 WeakPolarHBondContact O-CG1 3.31Å; H270-I274 PolarHBondContact O-N 3.34Å
271	N	51.2	Low	50.7	Low	104 Å²	104	131.6 Å²	131.6	56%	0.556	66%	0.663	S	S	*	*	H	α-helix	trans	-75.3	-27.8	178.4	-73.1	-33.5	0	0	0	113	V267 M275	V267-N271 PolarHBondContact O-ND2 2.81Å; N271-M275 PolarHBondContact O-N 3.33Å
272	D	52.8	Low	50.6	Low	119 Å²	119	131.7 Å²	131.7	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-79.5	-22.7	178.5	-79	-16.9	0	0	0	113.6
273	V	56	Low	51.2	Low	90 Å²	90	130 Å²	130	55%	0.545	66%	0.664	S	S	.	*	H	α-helix	trans	-83.6	-34.5	178.3	179.6	0	0	0	0	111.2
274	I	53.5	Low	51.1	Low	97 Å²	97	130.4 Å²	130.4	50%	0.497	67%	0.667	S	S	.	*	H	α-helix	trans	-78.6	-29.4	-177.6	-64.3	175.5	0	0	0	111.7	H270 K276	H270-I274 WeakPolarHBondContact O-CG1 3.31Å; H270-I274 PolarHBondContact O-N 3.34Å; I274-K276 VanDerWaalsContact C-N 3.34Å; I274-K276 PolarHBondContact O-N 3.22Å
275	M	55	Low	51.1	Low	141 Å²	141	129.3 Å²	129.3	70%	0.695	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-18	175.2	-75.1	-71.4	-90.9	0	0	114.2	N271	N271-M275 PolarHBondContact O-N 3.33Å
276	K	55.6	Low	51	Low	178 Å²	178	133 Å²	133	77%	0.774	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-15.6	178.4	-77	-176.5	178.3	179.7	0	114.5	I274	I274-K276 VanDerWaalsContact C-N 3.34Å; I274-K276 PolarHBondContact O-N 3.22Å
277	Q	50	Low	51.4	Low	158 Å²	158	135.8 Å²	135.8	74%	0.738	69%	0.687	S	S	*	*	S	Bend	trans	-92	-10	-174.8	-154	169.6	8	0	0	114.1
278	W	55.8	Low	51.5	Low	217 Å²	217	140.5 Å²	140.5	82%	0.822	70%	0.701	S	S	*	*	S	Bend	trans	-109.7	0.2	-174.3	-75.4	77.8	0	0	0	115.1
279	N	52.3	Low	51.7	Low	125 Å²	125	142 Å²	142	67%	0.668	71%	0.707	S	S	*	*			trans	-111.4	72.6	178.2	-72.7	-25.2	0	0	0	111
280	N	46.7	Very low	51.7	Low	152 Å²	152	145.8 Å²	145.8	81%	0.813	72%	0.722	S	S	*	*			trans	-107.4	115.9	159.8	-88.2	-21.6	0	0	0	108.6
281	P	60.4	Low	51.9	Low	105 Å²	105	148.8 Å²	148.8	68%	0.682	74%	0.74	S	S	*	*			trans	-71	137.1	175.9	27.9	-30.6	0	0	0	110.6	I283	P281-I283 PolarHBondContact O-N 3.49Å
282	I	45.9	Very low	51.7	Low	152 Å²	152	148.7 Å²	148.7	78%	0.779	75%	0.747	S	S	*	*			trans	-54.6	117.6	167	-64.4	162.8	0	0	0	108
283	I	56.5	Low	51.5	Low	150 Å²	150	150.8 Å²	150.8	77%	0.769	75%	0.753	S	S	*	*			trans	-112.6	100.7	164.7	-62.9	176.9	0	0	0	105.7	P281	P281-I283 PolarHBondContact O-N 3.49Å
284	D	46.7	Very low	51	Low	131 Å²	131	157.1 Å²	157.1	70%	0.701	77%	0.769	S	S	*	*			trans	-65.2	127.8	155.3	-70.5	-35.9	0	0	0	107.5
285	N	47.2	Very low	50.7	Low	153 Å²	153	160.9 Å²	160.9	82%	0.818	79%	0.788	S	S	*	*			trans	-175.2	128.1	131.5	-92.6	-26.5	0	0	0	110.7
286	E	48.7	Very low	50.4	Low	182 Å²	182	162.3 Å²	162.3	85%	0.85	79%	0.793	S	S	*	*			trans	-43.7	130.4	166.9	-59	168.8	142.1	0	0	111.7
287	Q	52.6	Low	50.1	Low	175 Å²	175	162.2 Å²	162.2	82%	0.818	80%	0.795	S	S	*	*			trans	168.2	139.4	133.6	-94.7	176.4	16.3	0	0	110.8
288	K	48.8	Very low	50	Low	186 Å²	186	163.4 Å²	163.4	81%	0.809	80%	0.801	S	S	*	*			trans	87.7	83.7	160.1	-67.2	169.8	178.9	-179.9	0	117.5
289	E	53.2	Low	49.7	Very low	180 Å²	180	160.2 Å²	160.2	84%	0.841	80%	0.8	S	S	*	*				-4.5	147.9	123.7	-60.4	177.2	158.6	0	0	117.5
290	N	51.8	Low	49.8	Very low	156 Å²	156	159.7 Å²	159.7	83%	0.834	80%	0.801	S	S	*	*			trans	88.6	64.9	172.5	-65.4	-35.8	0	0	0	118
291	I	50.1	Low	50.2	Low	173 Å²	173	164 Å²	164	89%	0.887	81%	0.806	S	S	*	*			trans	-136.6	91	145.1	-52.2	177.4	0	0	0	108.2
292	S	46	Very low	50.5	Low	102 Å²	102	168.6 Å²	168.6	71%	0.713	81%	0.81	S	S	*	*			trans	-102.5	145.4	164.2	166.5	0	0	0	0	107.6
293	H	48.2	Very low	51.6	Low	164 Å²	164	165.8 Å²	165.8	76%	0.759	80%	0.801	S	S	*	*	S	Bend	trans	84.3	131.4	-176.2	-74.4	-85.7	0	0	0	117.4
294	Y	45.2	Very low	52.2	Low	223 Å²	223	169.1 Å²	169.1	88%	0.875	81%	0.806	S	S	*	*			trans	89.4	63.4	175.6	-80.1	-90.3	0	0	0	118.4
295	I	48.3	Very low	52.7	Low	175 Å²	175	170.5 Å²	170.5	90%	0.897	81%	0.812	S	S	*	*			trans	-138.7	85.9	144.4	-54.3	179.8	0	0	0	107.7
296	E	49.4	Very low	52.7	Low	172 Å²	172	174.6 Å²	174.6	80%	0.804	83%	0.834	S	S	*	*			trans	-131.8	130.5	163.8	-94.8	-170.5	178.5	0	0	108.1
297	Q	49.3	Very low	52.9	Low	176 Å²	176	174.3 Å²	174.3	82%	0.822	83%	0.834	S	S	*	*			trans	79.3	67.5	163.9	-54.2	176.6	19.3	0	0	118.3
298	E	47.5	Very low	52.9	Low	182 Å²	182	174.2 Å²	174.2	85%	0.85	83%	0.834	S	S	*	*			trans	-136.1	142.9	142.3	-76.2	-165.3	153.8	0	0	109.9
299	N	48.2	Very low	53.1	Low	150 Å²	150	173.6 Å²	173.6	80%	0.802	84%	0.836	S	S	*	*			trans	89.8	66	175.9	-48.3	-42	0	0	0	117.4
300	V	54.9	Low	53.1	Low	115 Å²	115	173.2 Å²	173.2	70%	0.697	84%	0.835	S	S	*	*			trans	-128.4	96.3	147.8	-164.3	0	0	0	0	109.8	R302	V300-R302 HydrophobicContact CG1-CG 3.58Å; V300-R302 PolarHBondContact O-N 3.46Å; V300-R302 VanDerWaalsContact O-N 3.15Å
301	W	56.2	Low	53.2	Low	241 Å²	241	174.3 Å²	174.3	91%	0.913	84%	0.836	S	S	*	*			trans	-67.9	102	161.4	-101.2	87.8	0	0	0	108.8
302	R	66.3	Low	53.4	Low	202 Å²	202	174.3 Å²	174.3	76%	0.762	83%	0.832	S	S	*	*			trans	-112.6	112	165.3	-64.9	-165.3	-177.5	-120.9	0.2	110.1	V300 Y304	V300-R302 HydrophobicContact CG1-CG 3.58Å; V300-R302 PolarHBondContact O-N 3.46Å; V300-R302 VanDerWaalsContact O-N 3.15Å; R302-Y304 PolarHBondContact O-N 3.45Å
303	P	68.2	Low	54	Low	93 Å²	93	179.5 Å²	179.5	60%	0.604	84%	0.841	S	S	*	*			trans	-87	109.1	167.1	11.8	6.1	0	0	0	109.6
304	Y	69.1	Low	54.4	Low	221 Å²	221	180.7 Å²	180.7	87%	0.867	85%	0.847	S	S	*	*			trans	66.6	97.2	155.6	-50.2	-75.4	0	0	0	118	R302	R302-Y304 PolarHBondContact O-N 3.45Å
305	L	57.2	Low	55.2	Low	160 Å²	160	177.2 Å²	177.2	84%	0.838	85%	0.845	S	S	*	*			trans	-78.1	122.6	150.2	-84.3	153.4	0	0	0	109.3
306	N	47.3	Very low	55.8	Low	239 Å²	239	177.4 Å²	177.4	100%	1.278	84%	0.84	S	S	*	*			trans	-169	0	138.5	-100.4	10.7	0	0	0	107.1

Retrieved 306 of 306 residues in 239.6 ms (Link to these results)

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