A0A096MWJ1_PAPAN Loading...

Calneuron 1

AlphaFold DB (A0A5S6RBV6), UniProt , Accession A0A096MWJ1, Species PAPAN (Papio anubis, Olive baboon), Gene CALN1, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	45.1	Very low	242 Å²	242	161.1 Å²	161.1	100%	1.192	86%	0.857	S	S	*	*				0	99.5	0	-77.5	155.3	168.8	0	0	105.7
2	R	40.2	Very low	45.7	Very low	238 Å²	238	158 Å²	158	90%	0.898	85%	0.852	S	S	*	*				33.7	122	68.9	-86.2	-165.1	-169.4	164.3	4	111.3
3	L	40.5	Very low	45.5	Very low	155 Å²	155	157.8 Å²	157.8	81%	0.812	84%	0.843	S	S	*	*			cis	-154	165.8	5.7	-101.8	152.8	0	0	0	107.4
4	P	61.2	Low	45.1	Very low	105 Å²	105	158.3 Å²	158.3	68%	0.682	85%	0.845	S	S	*	*			trans	-93.2	179.2	178.2	39.3	-30.8	0	0	0	112
5	E	41.7	Very low	44.8	Very low	198 Å²	198	159.3 Å²	159.3	93%	0.925	84%	0.843	S	S	*	*				-177.5	142.1	129.1	-96.9	-166	138.5	0	0	112.6
6	Q	42.8	Very low	44.8	Very low	183 Å²	183	161.9 Å²	161.9	86%	0.855	85%	0.845	S	S	*	*			trans	-98.4	-153	172.5	-64.4	-170.2	-4.8	0	0	110.6
7	P	54	Low	44.5	Very low	122 Å²	122	165 Å²	165	79%	0.792	85%	0.85	S	S	*	*				-105.4	177.5	-122	30	-6.2	0	0	0	113.3
8	G	42.8	Very low	43.9	Very low	78 Å²	78	160.1 Å²	160.1	80%	0.804	85%	0.847	S	S	*	*			trans	-157.6	107.3	174.6	0	0	0	0	0	113.4
9	E	41.2	Very low	43.5	Very low	204 Å²	204	160.6 Å²	160.6	95%	0.953	85%	0.85	S	S	*	*			trans	-62.9	156.6	164.4	-62	175.1	122.1	0	0	111.5
10	G	41.1	Very low	43.1	Very low	73 Å²	73	156.2 Å²	156.2	75%	0.753	85%	0.845	S	S	*	*			trans	173	68.5	170.6	0	0	0	0	0	115.3
11	K	45.2	Very low	42.8	Very low	174 Å²	174	152.7 Å²	152.7	76%	0.757	85%	0.845	S	S	*	*			trans	-75.6	145.3	153.1	-138.3	-175.3	-174.4	-164.7	0	107.5	E13	K11-E13 IonicContact NZ-OE1 3.98Å
12	P	52.1	Low	42.4	Very low	124 Å²	124	145.5 Å²	145.5	81%	0.805	82%	0.824	S	S	*	*				-137.9	144	122.2	32.6	-18.7	0	0	0	113.5
13	E	43.4	Very low	42.1	Very low	156 Å²	156	142.7 Å²	142.7	73%	0.729	83%	0.826	S	S	*	*			trans	-71	147.7	162.5	-67.2	167	151.8	0	0	110.2	K11	K11-E13 IonicContact NZ-OE1 3.98Å
14	N	39.5	Very low	41.9	Very low	164 Å²	164	138.6 Å²	138.6	88%	0.877	82%	0.821	S	S	*	*			trans	-156	129.3	138.5	-137.3	-4.8	0	0	0	112.7
15	E	40.8	Very low	40.6	Very low	174 Å²	174	146 Å²	146	81%	0.813	84%	0.835	S	S	*	*			trans	-70.5	154.5	172	-73	169.3	85.5	0	0	113.3
16	K	45.6	Very low	40.3	Very low	201 Å²	201	139.9 Å²	139.9	87%	0.874	83%	0.826	S	S	*	*			trans	168	110.2	135.9	-93.5	170.1	-175	-177.5	0	107.5
17	K	39.2	Very low	40	Very low	214 Å²	214	140.6 Å²	140.6	93%	0.93	83%	0.829	S	S	*	*				75.1	119	68.5	-156.8	-179.7	-169.6	-178.9	0	114.2
18	G	34.2	Very low	39.2	Very low	77 Å²	77	143.4 Å²	143.4	79%	0.794	83%	0.832	S	S	*	*			trans	90.3	144.5	165.8	0	0	0	0	0	113.8
19	D	36.3	Very low	39.4	Very low	170 Å²	170	145 Å²	145	91%	0.909	83%	0.828	S	S	*	*			cis	-167	169.3	4.6	-162.2	-2.5	0	0	0	106.8
20	G	35	Very low	39.6	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	82%	0.815	S	S	*	*			trans	-62.6	168.3	-169.3	0	0	0	0	0	117.5
21	G	36.7	Very low	39.3	Very low	82 Å²	82	147.3 Å²	147.3	85%	0.845	82%	0.819	S	S	*	*			trans	-174.2	104.7	173.5	0	0	0	0	0	112
22	A	36.7	Very low	38.9	Very low	91 Å²	91	145 Å²	145	75%	0.752	83%	0.825	S	S	*	*			trans	-80.2	167	175.3	0	0	0	0	0	112.6
23	L	35.2	Very low	38.3	Very low	179 Å²	179	147 Å²	147	94%	0.937	82%	0.823	S	S	*	*			trans	84.4	128.4	150	-68.8	149.9	0	0	0	120.6
24	G	36	Very low	38.5	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	83%	0.826	S	S	*	*			trans	110.7	96.4	144.2	0	0	0	0	0	114.5
25	R	34	Very low	38.4	Very low	260 Å²	260	141.7 Å²	141.7	98%	0.981	82%	0.82	S	S	*	*				74	127.4	86.6	-81.6	-162.4	-150.6	-122.4	4.2	115.2
26	G	34.1	Very low	38.2	Very low	71 Å²	71	140.6 Å²	140.6	73%	0.732	82%	0.819	S	S	*	*			trans	107.7	124.4	167.9	0	0	0	0	0	110.5
27	E	37.3	Very low	37.8	Very low	198 Å²	198	140.9 Å²	140.9	93%	0.925	82%	0.821	S	S	*	*			cis	-158.7	141.6	23.7	-67.5	173.9	118.8	0	0	109.2
28	E	37.7	Very low	37.7	Very low	181 Å²	181	136.4 Å²	136.4	85%	0.846	81%	0.814	S	S	*	*			trans	-74.1	165.4	157.8	-101.6	-167.5	119.6	0	0	109.4
29	P	45.4	Very low	38.1	Very low	111 Å²	111	138.5 Å²	138.5	72%	0.721	81%	0.811	S	S	*	*			cis	-146	-154.9	28.3	43.6	-21.3	0	0	0	112.4
30	P	45.9	Very low	37.9	Very low	106 Å²	106	141.7 Å²	141.7	69%	0.688	81%	0.811	S	S	*	*			cis	-126.9	160.6	-18.1	32.7	-13.5	0	0	0	115.7
31	R	34.7	Very low	38.3	Very low	220 Å²	220	145 Å²	145	83%	0.83	81%	0.807	S	S	*	*			trans	50.4	104.7	144	-76.5	-179.5	172.7	169.2	-1.9	119.8
32	S	37.7	Very low	38.2	Very low	126 Å²	126	149.9 Å²	149.9	88%	0.881	81%	0.805	S	S	*	*				-144.3	98.3	120.9	47.5	0	0	0	0	109.3	A34	S32-A34 PolarHBondContact O-N 3.43Å
33	Q	38	Very low	37.9	Very low	164 Å²	164	153.3 Å²	153.3	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-56.4	125.4	168.3	-76.2	163.8	-12.1	0	0	108.8	P35	Q33-P35 WeakPolarHBondContact O-CD 3.37Å
34	A	49	Very low	38.2	Very low	96 Å²	96	150.3 Å²	150.3	79%	0.793	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.6	120	153.4	0	0	0	0	0	107.1	S32	S32-A34 PolarHBondContact O-N 3.43Å
35	P	36.4	Very low	38.1	Very low	114 Å²	114	155.9 Å²	155.9	74%	0.74	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-92.4	120.7	168	28.6	-16.4	0	0	0	109.6	Q33	Q33-P35 WeakPolarHBondContact O-CD 3.37Å
36	D	37.9	Very low	38.1	Very low	150 Å²	150	151.3 Å²	151.3	80%	0.802	79%	0.793	S	S	*	*			trans	3	130.5	142.6	-58.5	-51.8	0	0	0	118
37	F	37.1	Very low	38.5	Very low	207 Å²	207	155.2 Å²	155.2	91%	0.908	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-47.3	125.3	167.3	-83.1	-93.7	0	0	0	111.9	T39	F37-T39 PolarHBondContact O-N 2.89Å
38	P	36.9	Very low	38.4	Very low	120 Å²	120	152.4 Å²	152.4	78%	0.779	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-78.4	121.3	168.4	-8.4	25.2	0	0	0	110.6
39	T	42.3	Very low	38.8	Very low	122 Å²	122	150 Å²	150	75%	0.748	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-52.2	132.2	158.4	45.5	0	0	0	0	111	F37 E41	F37-T39 PolarHBondContact O-N 2.89Å; T39-E41 PolarHBondContact O-N 3.37Å
40	W	31	Very low	38.5	Very low	236 Å²	236	149.7 Å²	149.7	89%	0.894	79%	0.793	S	S	*	*	S	Bend	trans	-68.8	21.3	-172.5	60	-82.7	0	0	0	116.4
41	E	43.4	Very low	38.2	Very low	142 Å²	142	148.3 Å²	148.3	66%	0.664	80%	0.798	S	S	*	*			trans	-114	119.4	179.2	-77.2	-170.6	140.7	0	0	112	T39	T39-E41 PolarHBondContact O-N 3.37Å
42	K	35.3	Very low	38.5	Very low	185 Å²	185	145.9 Å²	145.9	80%	0.804	80%	0.8	S	S	*	*			trans	87.8	120	173.8	-59.5	166.1	178	170.6	0	113.8
43	M	30.1	Very low	38.8	Very low	162 Å²	162	148 Å²	148	80%	0.798	80%	0.801	S	S	*	*			cis	-177.5	-175.7	16.4	-85.9	162	-164.7	0	0	105.1
44	P	41.2	Very low	38.6	Very low	116 Å²	116	150.3 Å²	150.3	75%	0.753	80%	0.804	S	S	*	*			cis	-122.4	136.6	-29	32.5	-14.8	0	0	0	111.6
45	F	34.6	Very low	37.9	Very low	187 Å²	187	154.6 Å²	154.6	82%	0.82	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.5	127.1	175.2	-72.5	-89.4	0	0	0	111.6
46	H	33.7	Very low	37.5	Very low	163 Å²	163	151.6 Å²	151.6	76%	0.755	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-93.7	138.4	150.5	-100.2	-93.8	0	0	0	108.9
47	H	43.8	Very low	37.1	Very low	154 Å²	154	153 Å²	153	71%	0.713	80%	0.802	S	S	*	*	S	Bend	trans	-62.9	116.6	-159.4	-6.4	-84.5	0	0	0	113.9
48	V	34.9	Very low	37.1	Very low	138 Å²	138	153.1 Å²	153.1	84%	0.836	80%	0.798	S	S	*	*	S	Bend		179.8	61.6	124.8	179.5	0	0	0	0	107.1
49	T	45.8	Very low	37.2	Very low	130 Å²	130	155.2 Å²	155.2	80%	0.798	80%	0.802	S	S	*	*	S	Bend	trans	-153.3	55.9	166.9	-31.7	0	0	0	0	110.3
50	A	39.8	Very low	36.6	Very low	106 Å²	106	155.2 Å²	155.2	88%	0.876	80%	0.797	S	S	*	*			trans	-143	32.9	178	0	0	0	0	0	112.8
51	G	39.5	Very low	36.6	Very low	77 Å²	77	154 Å²	154	79%	0.794	79%	0.792	S	S	*	*	S	Bend	trans	-110.8	2.6	-179.3	0	0	0	0	0	115.8
52	L	40.6	Very low	35.9	Very low	169 Å²	169	152.2 Å²	152.2	89%	0.885	80%	0.796	S	S	*	*	S	Bend	trans	-112	10.8	-170.4	-95.4	164.3	0	0	0	115.7
53	L	43.7	Very low	36.2	Very low	170 Å²	170	152 Å²	152	89%	0.89	80%	0.802	S	S	*	*			trans	-134.9	56.7	-179.5	-75	173.4	0	0	0	114.1
54	Y	33.5	Very low	36.2	Very low	213 Å²	213	149.1 Å²	149.1	84%	0.835	80%	0.798	S	S	*	*	S	Bend	trans	-146.3	104.7	149.5	-125.9	-92.1	0	0	0	112.3
55	K	34.4	Very low	36	Very low	185 Å²	185	149 Å²	149	80%	0.804	81%	0.807	S	S	*	*			trans	45.8	93.4	132.9	-135.7	174.8	-172.8	179.7	0	118
56	G	29	Very low	35.7	Very low	51 Å²	51	141.9 Å²	141.9	53%	0.526	79%	0.787	S	S	.	*				62.9	98.2	129	0	0	0	0	0	119.1
57	N	29	Very low	35.9	Very low	180 Å²	180	136.7 Å²	136.7	96%	0.963	77%	0.769	S	S	*	*				-118	93.2	128.2	-116.1	11.8	0	0	0	107
58	Y	35.9	Very low	35.8	Very low	210 Å²	210	136.8 Å²	136.8	82%	0.824	77%	0.774	S	S	*	*			trans	-77	137	170.1	-79.8	-96.5	0	0	0	109.1
59	L	39.9	Very low	36.1	Very low	163 Å²	163	135 Å²	135	85%	0.853	77%	0.768	S	S	*	*			trans	154	119.1	144.5	-79.4	-167	0	0	0	105.1
60	N	28.9	Very low	35.9	Very low	123 Å²	123	134.5 Å²	134.5	66%	0.658	76%	0.757	S	S	*	*			cis	-179.7	133.8	3.2	-156.3	-0.8	0	0	0	101.5
61	R	31	Very low	36	Very low	209 Å²	209	136.5 Å²	136.5	79%	0.789	75%	0.748	S	S	*	*				178	124.4	63	172.2	176.8	-72.1	-107	-0.7	107.8
62	S	29.1	Very low	36.1	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	73%	0.732	S	S	*	*			trans	34.7	109	155.8	-83.7	0	0	0	0	119.7	S64	S62-S64 VanDerWaalsContact C-N 3.33Å; S62-S64 PolarHBondContact O-N 3Å
63	L	41.5	Very low	36.2	Very low	179 Å²	179	132.4 Å²	132.4	94%	0.937	72%	0.718	S	S	*	*				-42.1	102	129.7	-69.8	160.5	0	0	0	109.1
64	S	30.8	Very low	36.3	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	71%	0.707	S	S	*	*			trans	-82.6	126.7	150.1	-171.5	0	0	0	0	105.7	S62 G66	S62-S64 VanDerWaalsContact C-N 3.33Å; S62-S64 PolarHBondContact O-N 3Å; S64-G66 PolarHBondContact O-N 2.57Å
65	A	36.8	Very low	37.2	Very low	114 Å²	114	120.8 Å²	120.8	94%	0.942	67%	0.671	S	S	*	*			trans	-65.7	75.1	160.9	0	0	0	0	0	108
66	G	28.9	Very low	38.2	Very low	38 Å²	38	114.1 Å²	114.1	39%	0.392	65%	0.648	S	S	.	*			trans	-126.6	100.9	178.6	0	0	0	0	0	108.3	S64	S64-G66 PolarHBondContact O-N 2.57Å
67	S	37.1	Very low	39.4	Very low	53 Å²	53	117.9 Å²	117.9	37%	0.371	66%	0.66	S	S	.	*			trans	51.5	88.5	136.7	8.4	0	0	0	0	117.4	S69 E70	S67-S69 PolarHBondContact O-N 2.8Å; S67-S69 VanDerWaalsContact O-N 3.08Å; S67-E70 WeakPolarHBondContact CB-OE2 3.39Å; S67-E70 PolarHBondContact O-N 3.44Å; S67-E70 PolarHBondContact OG-OE2 3.08Å
68	D	40.8	Very low	40.4	Very low	156 Å²	156	116.4 Å²	116.4	83%	0.834	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-54	-16	143.3	-65.5	-37.6	0	0	0	110.9	E70	D68-E70 VanDerWaalsContact C-N 3.3Å; D68-E70 PolarHBondContact O-N 2.95Å
69	S	41.8	Very low	41.2	Very low	100 Å²	100	108.4 Å²	108.4	70%	0.699	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-70.9	-7	169.3	-26.5	0	0	0	0	115.6	S67	S67-S69 PolarHBondContact O-N 2.8Å; S67-S69 VanDerWaalsContact O-N 3.08Å
70	E	41.4	Very low	42.1	Very low	121 Å²	121	103.8 Å²	103.8	57%	0.565	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-96.3	-12.3	179.3	-91.7	174.1	111.2	0	0	113.6	S67 D68 L72 A73	S67-E70 WeakPolarHBondContact CB-OE2 3.39Å; S67-E70 PolarHBondContact O-N 3.44Å; S67-E70 PolarHBondContact OG-OE2 3.08Å; D68-E70 VanDerWaalsContact C-N 3.3Å; D68-E70 PolarHBondContact O-N 2.95Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-A73 WeakPolarHBondContact O-CB 3.49Å; E70-A73 PolarHBondContact O-N 3.1Å
71	Q	41.6	Very low	43.4	Very low	148 Å²	148	103.1 Å²	103.1	69%	0.692	59%	0.59	S	S	*	*	S	Bend	trans	-75.2	-22.9	175.2	-68.8	-174	6.5	0	0	113	A73	Q71-A73 VanDerWaalsContact C-N 3.33Å
72	L	42.8	Very low	44.6	Very low	89 Å²	89	98.6 Å²	98.6	47%	0.466	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-81.4	-14.7	173.2	-153	71.4	0	0	0	112.5	E70 N74 I75	E70-L72 VanDerWaalsContact C-N 3.32Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.32Å; L72-I75 HydrophobicContact CD1-CD1 3.87Å; L72-I75 HydrophobicContact CG-CD1 4.31Å
73	A	43.5	Very low	46	Very low	70 Å²	70	94 Å²	94	58%	0.579	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-81.1	-5.2	-172.9	0	0	0	0	0	114.4	E70 Q71	E70-A73 WeakPolarHBondContact O-CB 3.49Å; E70-A73 PolarHBondContact O-N 3.1Å; Q71-A73 VanDerWaalsContact C-N 3.33Å
74	N	45.3	Very low	47.2	Very low	124 Å²	124	93.1 Å²	93.1	66%	0.663	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-108.1	14.7	178.4	-78.3	4.3	0	0	0	113.5	L72 S76	L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.32Å; N74-S76 PolarHBondContact O-N 2.77Å
75	I	52.6	Low	48.7	Very low	15 Å²	15	91.9 Å²	91.9	8%	0.077	51%	0.512	C	S	.	.	S	Bend	trans	-73.2	114.6	164.3	-59.6	172.9	0	0	0	106	L72 E79 L80 I83 M140 V148	L72-I75 HydrophobicContact CD1-CD1 3.87Å; L72-I75 HydrophobicContact CG-CD1 4.31Å; I75-E79 HydrophobicContact CG2-CB 3.73Å; I75-L80 HydrophobicContact CG2-CB 3.97Å; I75-L80 HydrophobicContact CG2-CD1 4.41Å; I75-L80 HydrophobicContact CG2-CG 4.35Å; I75-I83 HydrophobicContact CG2-CD1 4.42Å; I75-M140 HydrophobicContact CD1-CE 3.78Å; I75-V148 HydrophobicContact CG1-CG2 4.38Å
76	S	54.4	Low	49.8	Very low	46 Å²	46	87.1 Å²	87.1	32%	0.322	47%	0.473	S	S	.	.			trans	-60.1	151.5	177.8	64.9	0	0	0	0	110.2	N74 E78 E79 L80	N74-S76 PolarHBondContact O-N 2.77Å; S76-E78 PolarHBondContact O-N 3.44Å; S76-E79 VanDerWaalsContact CB-OE2 3.3Å; S76-E79 WeakPolarHBondContact CB-OE2 3.3Å; S76-E79 PolarHBondContact N-OE2 3.39Å; S76-E79 PolarHBondContact O-N 3.33Å; S76-E79 VanDerWaalsContact O-N 3.08Å; S76-E79 WeakPolarHBondContact OG-CB 3.4Å; S76-E79 VanDerWaalsContact OG-CG 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.33Å; S76-E79 PolarHBondContact OG-N 3.21Å; S76-E79 PolarHBondContact OG-OE2 3.08Å; S76-L80 PolarHBondContact O-N 3.3Å
77	V	54.8	Low	51.6	Low	129 Å²	129	86 Å²	86	78%	0.782	46%	0.457	S	S	*	.	H	α-helix	trans	-55.8	-29.4	179.3	179.4	0	0	0	0	111.3	D81	V77-D81 PolarHBondContact O-N 2.94Å; V77-D81 VanDerWaalsContact O-N 3.15Å
78	E	50.6	Low	53.1	Low	150 Å²	150	90.8 Å²	90.8	70%	0.701	47%	0.467	S	S	*	.	H	α-helix	trans	-72.8	-46.2	178.1	-66	161.9	168.8	0	0	111.5	S76 L80 D81 E82	S76-E78 PolarHBondContact O-N 3.44Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.25Å; E78-D81 PolarHBondContact O-N 3.19Å; E78-E82 WeakPolarHBondContact O-CG 3.31Å; E78-E82 PolarHBondContact O-N 3.26Å
79	E	52.3	Low	54.3	Low	42 Å²	42	87.7 Å²	87.7	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-63.1	-36.9	173.9	-75.2	165.6	116.6	0	0	112.3	I75 S76 D81 E82 I83	I75-E79 HydrophobicContact CG2-CB 3.73Å; S76-E79 VanDerWaalsContact CB-OE2 3.3Å; S76-E79 WeakPolarHBondContact CB-OE2 3.3Å; S76-E79 PolarHBondContact N-OE2 3.39Å; S76-E79 PolarHBondContact O-N 3.33Å; S76-E79 VanDerWaalsContact O-N 3.08Å; S76-E79 WeakPolarHBondContact OG-CB 3.4Å; S76-E79 VanDerWaalsContact OG-CG 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.33Å; S76-E79 PolarHBondContact OG-N 3.21Å; S76-E79 PolarHBondContact OG-OE2 3.08Å; E79-D81 VanDerWaalsContact C-N 3.34Å; E79-E82 PolarHBondContact O-N 3.15Å; E79-I83 WeakPolarHBondContact O-CD1 3.31Å; E79-I83 WeakPolarHBondContact O-CG1 3.05Å; E79-I83 PolarHBondContact O-N 2.72Å
80	L	57.4	Low	55.4	Low	65 Å²	65	83.3 Å²	83.3	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	-67	-38.4	178.4	-149.1	153.8	0	0	0	111.1	I75 S76 E78 R84 M140	I75-L80 HydrophobicContact CG2-CB 3.97Å; I75-L80 HydrophobicContact CG2-CD1 4.41Å; I75-L80 HydrophobicContact CG2-CG 4.35Å; S76-L80 PolarHBondContact O-N 3.3Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.25Å; L80-R84 VanDerWaalsContact O-CB 3.28Å; L80-R84 WeakPolarHBondContact O-CB 3.37Å; L80-R84 PolarHBondContact O-N 2.79Å; L80-M140 HydrophobicContact CD1-CE 4.28Å; L80-M140 HydrophobicContact CG-CE 4.24Å
81	D	56.8	Low	57	Low	110 Å²	110	78.2 Å²	78.2	59%	0.588	40%	0.399	S	S	*	.	H	α-helix	trans	-67.3	-37.9	175.2	-154.7	54.6	0	0	0	111.5	V77 E78 E79 R84 E85	V77-D81 PolarHBondContact O-N 2.94Å; V77-D81 VanDerWaalsContact O-N 3.15Å; E78-D81 PolarHBondContact O-N 3.19Å; E79-D81 VanDerWaalsContact C-N 3.34Å; D81-R84 PolarHBondContact O-N 2.82Å; D81-E85 WeakPolarHBondContact O-CB 3.2Å; D81-E85 PolarHBondContact O-N 3.06Å
82	E	56	Low	58.5	Low	113 Å²	113	77.7 Å²	77.7	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-43.6	175.7	-72.1	-179.8	-177.1	0	0	112.8	E78 E79 R84 E85 A86	E78-E82 WeakPolarHBondContact O-CG 3.31Å; E78-E82 PolarHBondContact O-N 3.26Å; E79-E82 PolarHBondContact O-N 3.15Å; E82-R84 VanDerWaalsContact C-N 3.29Å; E82-R84 PolarHBondContact O-N 3.42Å; E82-E85 PolarHBondContact O-N 2.74Å; E82-A86 PolarHBondContact O-N 2.87Å
83	I	59.4	Low	60.3	Low	11 Å²	11	78.6 Å²	78.6	6%	0.056	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-39.5	175.7	-66.8	163.9	0	0	0	110.3	I75 E79 A86 F87 F136 F139 M140 L143 L147	I75-I83 HydrophobicContact CG2-CD1 4.42Å; E79-I83 WeakPolarHBondContact O-CD1 3.31Å; E79-I83 WeakPolarHBondContact O-CG1 3.05Å; E79-I83 PolarHBondContact O-N 2.72Å; I83-A86 PolarHBondContact O-N 2.98Å; I83-F87 PolarHBondContact O-N 3.41Å; I83-F136 HydrophobicContact CG2-CE2 4.1Å; I83-F136 HydrophobicContact CG2-CZ 4.41Å; I83-F139 HydrophobicContact CG2-CD1 3.85Å; I83-F139 HydrophobicContact CG2-CE1 3.86Å; I83-M140 HydrophobicContact CG2-CG 4.04Å; I83-L143 HydrophobicContact CG2-CD1 4.36Å; I83-L147 HydrophobicContact CD1-CD1 3.95Å; I83-L147 HydrophobicContact CG1-CD1 4.44Å
84	R	66.8	Low	62.3	Low	160 Å²	160	77.9 Å²	77.9	60%	0.604	40%	0.396	S	S	*	.	H	α-helix	trans	-67.1	-38.6	177.5	-167.1	175	-169.9	169.6	5.4	112.8	L80 D81 E82 F87 R88 F136	L80-R84 VanDerWaalsContact O-CB 3.28Å; L80-R84 WeakPolarHBondContact O-CB 3.37Å; L80-R84 PolarHBondContact O-N 2.79Å; D81-R84 PolarHBondContact O-N 2.82Å; E82-R84 VanDerWaalsContact C-N 3.29Å; E82-R84 PolarHBondContact O-N 3.42Å; R84-F87 PolarHBondContact O-N 3.46Å; R84-R88 PolarHBondContact O-N 2.62Å; R84-F136 HydrophobicContact CB-CE2 4.13Å; R84-F136 HydrophobicContact CB-CZ 4.04Å; R84-F136 HydrophobicContact CG-CE2 4.3Å; R84-F136 HydrophobicContact CG-CZ 4.27Å
85	E	60.9	Low	64.1	Low	75 Å²	75	75.1 Å²	75.1	35%	0.35	38%	0.381	S	S	.	.	H	α-helix	trans	-64.3	-44.3	174.2	-172.5	64.1	-159.4	0	0	111.1	D81 E82 F87 R88 V89	D81-E85 WeakPolarHBondContact O-CB 3.2Å; D81-E85 PolarHBondContact O-N 3.06Å; E82-E85 PolarHBondContact O-N 2.74Å; E85-F87 VanDerWaalsContact C-N 3.34Å; E85-F87 PolarHBondContact O-N 2.92Å; E85-R88 PolarHBondContact O-N 2.93Å; E85-R88 IonicContact OE1-CZ 2.72Å; E85-R88 IonicContact OE1-NH1 3.71Å; E85-R88 IonicContact OE1-NH2 2.94Å; E85-R88 PolarHBondContact OE1-NH2 3.3Å; E85-R88 IonicContact OE2-CZ 3.42Å; E85-R88 IonicContact OE2-NE 2.7Å; E85-R88 IonicContact OE2-NH1 3.99Å; E85-R88 PolarHBondContact OE2-NH1 3.35Å; E85-R88 IonicContact OE2-NH2 2.63Å; E85-R88 PolarHBondContact OE2-NH2 3.46Å; E85-V89 WeakPolarHBondContact O-CG2 3.33Å; E85-V89 PolarHBondContact O-N 2.8Å; E85-V89 VanDerWaalsContact O-N 3.12Å
86	A	61.1	Low	65.7	Low	15 Å²	15	76 Å²	76	12%	0.124	39%	0.393	C	S	.	.	H	α-helix	trans	-59.9	-43.9	175.9	0	0	0	0	0	111.9	E82 I83 R88 V89 L90 F139	E82-A86 PolarHBondContact O-N 2.87Å; I83-A86 PolarHBondContact O-N 2.98Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 2.7Å; A86-V89 PolarHBondContact O-N 3.21Å; A86-L90 WeakPolarHBondContact O-CD1 3.4Å; A86-L90 PolarHBondContact O-N 3.19Å; A86-F139 HydrophobicContact CB-CE1 4.4Å; A86-F139 HydrophobicContact CB-CZ 4.35Å
87	F	65.3	Low	67.4	Low	13 Å²	13	77.3 Å²	77.3	6%	0.057	39%	0.393	C	S	.	.	H	α-helix	trans	-58.8	-44.4	175.4	-171	-90.7	0	0	0	111.6	I83 R84 E85 V89 L90 D91 G96 I98 F136 F139	I83-F87 PolarHBondContact O-N 3.41Å; R84-F87 PolarHBondContact O-N 3.46Å; E85-F87 VanDerWaalsContact C-N 3.34Å; E85-F87 PolarHBondContact O-N 2.92Å; F87-V89 VanDerWaalsContact C-N 3.26Å; F87-V89 PolarHBondContact O-N 3.07Å; F87-L90 WeakPolarHBondContact O-CB 3.36Å; F87-L90 PolarHBondContact O-N 2.78Å; F87-D91 HydrophobicContact CD1-CB 4.27Å; F87-D91 HydrophobicContact CE1-CB 4.03Å; F87-D91 WeakPolarHBondContact O-CB 3.48Å; F87-D91 PolarHBondContact O-N 3.01Å; F87-G96 VanDerWaalsContact CZ-O 3.26Å; F87-G96 WeakPolarHBondContact CZ-O 3.45Å; F87-I98 HydrophobicContact CD2-CD1 3.56Å; F87-I98 HydrophobicContact CD2-CG1 4.13Å; F87-I98 HydrophobicContact CE2-CD1 3.52Å; F87-I98 HydrophobicContact CE2-CG1 3.7Å; F87-I98 HydrophobicContact CG-CD1 4.39Å; F87-I98 HydrophobicContact CZ-CD1 4.31Å; F87-I98 HydrophobicContact CZ-CG1 4Å; F87-F136 HydrophobicContact CB-CD2 3.86Å; F87-F136 HydrophobicContact CB-CE2 4.06Å; F87-F136 HydrophobicContact CD1-CD2 4.12Å; F87-F136 HydrophobicContact CD2-CB 4.44Å; F87-F136 AromaticContact CD2-CD2 3.81Å; F87-F136 HydrophobicContact CD2-CD2 3.81Å; F87-F136 HydrophobicContact CE1-CB 4.46Å; F87-F136 HydrophobicContact CE2-CB 4.18Å; F87-F136 HydrophobicContact CE2-CD2 4.38Å; F87-F136 AromaticContact CG-CD2 3.65Å; F87-F136 HydrophobicContact CG-CD2 3.65Å; F87-F136 HydrophobicContact CG-CE2 4.35Å; F87-F136 HydrophobicContact CZ-CB 4.19Å; F87-F139 HydrophobicContact CB-CD1 4.14Å; F87-F139 HydrophobicContact CB-CE1 4.04Å; F87-F139 HydrophobicContact CD2-CB 3.89Å; F87-F139 AromaticContact CD2-CD1 3.76Å; F87-F139 HydrophobicContact CD2-CD1 3.76Å; F87-F139 HydrophobicContact CD2-CD2 4.35Å; F87-F139 HydrophobicContact CD2-CE1 4.32Å; F87-F139 AromaticContact CD2-CG 3.77Å; F87-F139 HydrophobicContact CD2-CG 3.77Å; F87-F139 HydrophobicContact CE2-CB 4.11Å; F87-F139 HydrophobicContact CE2-CG 4.4Å; F87-F139 HydrophobicContact CG-CD1 4.45Å
88	R	70.5	Confident	68.7	Low	155 Å²	155	71.4 Å²	71.4	59%	0.585	36%	0.357	S	S	*	.	H	α-helix	trans	-65.3	-26.6	178.6	-165	176.7	75.3	-133.2	4.9	113.7	R84 E85 A86 L90	R84-R88 PolarHBondContact O-N 2.62Å; E85-R88 PolarHBondContact O-N 2.93Å; E85-R88 IonicContact OE1-CZ 2.72Å; E85-R88 IonicContact OE1-NH1 3.71Å; E85-R88 IonicContact OE1-NH2 2.94Å; E85-R88 PolarHBondContact OE1-NH2 3.3Å; E85-R88 IonicContact OE2-CZ 3.42Å; E85-R88 IonicContact OE2-NE 2.7Å; E85-R88 IonicContact OE2-NH1 3.99Å; E85-R88 PolarHBondContact OE2-NH1 3.35Å; E85-R88 IonicContact OE2-NH2 2.63Å; E85-R88 PolarHBondContact OE2-NH2 3.46Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 2.7Å; R88-L90 VanDerWaalsContact C-N 3.31Å
89	V	64.8	Low	70.4	Confident	91 Å²	91	65.1 Å²	65.1	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-74.5	-28.2	175.4	171.7	0	0	0	0	111.3	E85 A86 F87	E85-V89 WeakPolarHBondContact O-CG2 3.33Å; E85-V89 PolarHBondContact O-N 2.8Å; E85-V89 VanDerWaalsContact O-N 3.12Å; A86-V89 PolarHBondContact O-N 3.21Å; F87-V89 VanDerWaalsContact C-N 3.26Å; F87-V89 PolarHBondContact O-N 3.07Å
90	L	64.7	Low	71.9	Confident	7 Å²	7	65.6 Å²	65.6	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-82.9	-45.9	178.2	-77.7	150.4	0	0	0	112	A86 F87 R88 R92 I98 E102 A106 F139 M241	A86-L90 WeakPolarHBondContact O-CD1 3.4Å; A86-L90 PolarHBondContact O-N 3.19Å; F87-L90 WeakPolarHBondContact O-CB 3.36Å; F87-L90 PolarHBondContact O-N 2.78Å; R88-L90 VanDerWaalsContact C-N 3.31Å; L90-R92 PolarHBondContact O-N 2.68Å; L90-R92 VanDerWaalsContact O-N 3.1Å; L90-I98 HydrophobicContact CB-CD1 3.6Å; L90-I98 HydrophobicContact CB-CG1 3.87Å; L90-I98 HydrophobicContact CB-CG2 4.35Å; L90-I98 HydrophobicContact CD1-CD1 4Å; L90-I98 HydrophobicContact CG-CD1 4.31Å; L90-E102 WeakPolarHBondContact O-CB 3.36Å; L90-A106 HydrophobicContact CD2-CB 3.43Å; L90-A106 VanDerWaalsContact CD2-CB 3.43Å; L90-F139 HydrophobicContact CD1-CE2 3.81Å; L90-F139 HydrophobicContact CD1-CZ 3.86Å; L90-M241 HydrophobicContact CD1-CE 4.01Å; L90-M241 HydrophobicContact CD1-SD 4.43Å; L90-M241 HydrophobicContact CD2-CE 3.62Å; L90-M241 HydrophobicContact CG-CE 4.36Å
91	D	76.5	Confident	73.2	Confident	14 Å²	14	68.7 Å²	68.7	8%	0.075	34%	0.344	C	S	.	.			trans	-75.1	87.5	175.1	176.2	14.6	0	0	0	110.2	F87 G94 N95 G96	F87-D91 HydrophobicContact CD1-CB 4.27Å; F87-D91 HydrophobicContact CE1-CB 4.03Å; F87-D91 WeakPolarHBondContact O-CB 3.48Å; F87-D91 PolarHBondContact O-N 3.01Å; D91-G94 WeakPolarHBondContact OD1-CA 3.45Å; D91-G94 PolarHBondContact OD1-N 3.42Å; D91-G94 VanDerWaalsContact OD2-C 3.31Å; D91-G94 WeakPolarHBondContact OD2-CA 3.44Å; D91-N95 PolarHBondContact OD1-N 3.16Å; D91-N95 PolarHBondContact OD2-N 3.23Å; D91-G96 VanDerWaalsContact OD2-CA 3.31Å; D91-G96 WeakPolarHBondContact OD2-CA 3.5Å; D91-G96 PolarHBondContact OD2-N 3.36Å
92	R	73	Confident	74.3	Confident	138 Å²	138	63.9 Å²	63.9	52%	0.521	32%	0.318	S	S	.	.	S	Bend	trans	-81	-32.6	-171.3	-75	-173.1	171	-175.4	-0.5	112.3	L90 G94 E102 S109	L90-R92 PolarHBondContact O-N 2.68Å; L90-R92 VanDerWaalsContact O-N 3.1Å; R92-G94 VanDerWaalsContact C-N 3.29Å; R92-E102 HydrophobicContact CB-CG 4.49Å; R92-E102 PolarHBondContact N-OE1 3.45Å; R92-S109 PolarHBondContact NH2-OG 2.81Å
93	D	79.3	Confident	75.1	Confident	107 Å²	107	59 Å²	59	57%	0.572	30%	0.295	S	S	*	.	S	Bend	trans	-83.5	-10.5	175.7	71.1	-1.6	0	0	0	112.3	N95 E102	D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 VanDerWaalsContact CG-ND2 3.26Å; D93-N95 VanDerWaalsContact OD1-CB 3.3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.35Å; D93-N95 PolarHBondContact OD1-N 3.29Å; D93-N95 PolarHBondContact OD1-ND2 3.47Å; D93-N95 PolarHBondContact OD2-ND2 3.24Å; D93-E102 PolarHBondContact N-OE1 3.08Å
94	G	85	Confident	75.6	Confident	56 Å²	56	58.4 Å²	58.4	58%	0.577	29%	0.293	S	S	*	.			trans	72.9	25.5	174.2	0	0	0	0	0	112.1	D91 R92 G96	D91-G94 WeakPolarHBondContact OD1-CA 3.45Å; D91-G94 PolarHBondContact OD1-N 3.42Å; D91-G94 VanDerWaalsContact OD2-C 3.31Å; D91-G94 WeakPolarHBondContact OD2-CA 3.44Å; R92-G94 VanDerWaalsContact C-N 3.29Å; G94-G96 VanDerWaalsContact C-N 3.25Å; G94-G96 PolarHBondContact O-N 2.81Å
95	N	84.9	Confident	75.6	Confident	65 Å²	65	54 Å²	54	35%	0.348	28%	0.279	S	S	.	.	S	Bend	trans	-81.5	-6.2	-174.8	72.9	21.3	0	0	0	112.7	D91 D93 F97	D91-N95 PolarHBondContact OD1-N 3.16Å; D91-N95 PolarHBondContact OD2-N 3.23Å; D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 VanDerWaalsContact CG-ND2 3.26Å; D93-N95 VanDerWaalsContact OD1-CB 3.3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.35Å; D93-N95 PolarHBondContact OD1-N 3.29Å; D93-N95 PolarHBondContact OD1-ND2 3.47Å; D93-N95 PolarHBondContact OD2-ND2 3.24Å; N95-F97 WeakPolarHBondContact O-CD2 3.5Å; N95-F97 WeakPolarHBondContact OD1-CA 3.27Å; N95-F97 VanDerWaalsContact OD1-CB 3.31Å; N95-F97 WeakPolarHBondContact OD1-CB 3.21Å; N95-F97 PolarHBondContact OD1-N 2.82Å; N95-F97 PolarHBondContact OD1-O 3Å
96	G	85.9	Confident	75.8	Confident	33 Å²	33	51.1 Å²	51.1	34%	0.34	27%	0.269	S	S	.	.	S	Bend	trans	88.1	7.7	-178.8	0	0	0	0	0	114.3	F87 D91 G94	F87-G96 VanDerWaalsContact CZ-O 3.26Å; F87-G96 WeakPolarHBondContact CZ-O 3.45Å; D91-G96 VanDerWaalsContact OD2-CA 3.31Å; D91-G96 WeakPolarHBondContact OD2-CA 3.5Å; D91-G96 PolarHBondContact OD2-N 3.36Å; G94-G96 VanDerWaalsContact C-N 3.25Å; G94-G96 PolarHBondContact O-N 2.81Å
97	F	89	Confident	75.7	Confident	75 Å²	75	50.4 Å²	50.4	33%	0.329	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148	-177.6	-57.8	-87.4	0	0	0	110.2	N95 Q133 V134 D135	N95-F97 WeakPolarHBondContact O-CD2 3.5Å; N95-F97 WeakPolarHBondContact OD1-CA 3.27Å; N95-F97 VanDerWaalsContact OD1-CB 3.31Å; N95-F97 WeakPolarHBondContact OD1-CB 3.21Å; N95-F97 PolarHBondContact OD1-N 2.82Å; N95-F97 PolarHBondContact OD1-O 3Å; F97-Q133 HydrophobicContact CB-CB 4.04Å; F97-Q133 HydrophobicContact CD1-CB 4.37Å; F97-V134 CarbonylContact C-O 3.56Å; F97-V134 WeakPolarHBondContact CA-O 3.3Å; F97-D135 HydrophobicContact CD1-CB 3.87Å; F97-D135 HydrophobicContact CE1-CB 3.89Å
98	I	82	Confident	75.5	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.9	173.8	-58.1	166.7	0	0	0	108.2	F87 L90 E102 L103 V134 F139	F87-I98 HydrophobicContact CD2-CD1 3.56Å; F87-I98 HydrophobicContact CD2-CG1 4.13Å; F87-I98 HydrophobicContact CE2-CD1 3.52Å; F87-I98 HydrophobicContact CE2-CG1 3.7Å; F87-I98 HydrophobicContact CG-CD1 4.39Å; F87-I98 HydrophobicContact CZ-CD1 4.31Å; F87-I98 HydrophobicContact CZ-CG1 4Å; L90-I98 HydrophobicContact CB-CD1 3.6Å; L90-I98 HydrophobicContact CB-CG1 3.87Å; L90-I98 HydrophobicContact CB-CG2 4.35Å; L90-I98 HydrophobicContact CD1-CD1 4Å; L90-I98 HydrophobicContact CG-CD1 4.31Å; I98-E102 HydrophobicContact CG2-CB 4.27Å; I98-L103 HydrophobicContact CG2-CB 4.17Å; I98-V134 HydrophobicContact CB-CB 4.23Å; I98-V134 PolarHBondContact N-O 2.82Å; I98-V134 PolarHBondContact O-N 3.35Å; I98-F139 HydrophobicContact CD1-CD2 4.05Å; I98-F139 HydrophobicContact CD1-CE2 4.23Å
99	S	87.1	Confident	74.5	Confident	18 Å²	18	51.7 Å²	51.7	13%	0.126	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	159.6	174.7	66.5	0	0	0	0	112.3	Q101 E102 L103	S99-Q101 PolarHBondContact O-N 3.29Å; S99-E102 VanDerWaalsContact CB-OE2 3.31Å; S99-E102 WeakPolarHBondContact CB-OE2 3.41Å; S99-E102 PolarHBondContact N-OE2 3.27Å; S99-E102 PolarHBondContact O-N 2.94Å; S99-E102 VanDerWaalsContact O-N 3.1Å; S99-E102 WeakPolarHBondContact OG-CB 3.42Å; S99-E102 VanDerWaalsContact OG-CD 3.32Å; S99-E102 VanDerWaalsContact OG-CG 3.27Å; S99-E102 WeakPolarHBondContact OG-CG 3.49Å; S99-E102 PolarHBondContact OG-N 3.44Å; S99-E102 PolarHBondContact OG-OE2 3.02Å; S99-L103 PolarHBondContact O-N 3.06Å
100	K	83.3	Confident	73.7	Confident	53 Å²	53	49.5 Å²	49.5	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-52	-39.9	170.9	-167.8	-173	-173.4	-167.6	0	111.6	G104 E116 L119 M123	K100-G104 PolarHBondContact O-N 3.36Å; K100-E116 PolarHBondContact NZ-O 3.19Å; K100-E116 VanDerWaalsContact NZ-O 3.13Å; K100-E116 IonicContact NZ-OE2 2.67Å; K100-E116 PolarHBondContact NZ-OE2 2.88Å; K100-L119 HydrophobicContact CD-CD2 4.29Å; K100-L119 HydrophobicContact CD-CG 4.34Å; K100-L119 HydrophobicContact CG-CD2 3.72Å; K100-L119 HydrophobicContact CG-CG 3.68Å; K100-L119 WeakPolarHBondContact O-CD2 3.42Å; K100-M123 HydrophobicContact CB-SD 4.44Å
101	Q	84.4	Confident	72.7	Confident	130 Å²	130	52.3 Å²	52.3	61%	0.607	30%	0.295	S	S	*	.	H	α-helix	trans	-66.9	-42.2	179.9	-65.2	86	-10.1	0	0	111.9	S99 G104 M105	S99-Q101 PolarHBondContact O-N 3.29Å; Q101-G104 PolarHBondContact O-N 3.36Å; Q101-M105 WeakPolarHBondContact O-CB 3.48Å; Q101-M105 WeakPolarHBondContact O-CG 3.05Å; Q101-M105 PolarHBondContact O-N 3.02Å
102	E	81.3	Confident	71.4	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-67.3	-44.1	178.5	-76.6	165.7	134.6	0	0	112.1	L90 R92 D93 I98 S99 G104 M105 A106	L90-E102 WeakPolarHBondContact O-CB 3.36Å; R92-E102 HydrophobicContact CB-CG 4.49Å; R92-E102 PolarHBondContact N-OE1 3.45Å; D93-E102 PolarHBondContact N-OE1 3.08Å; I98-E102 HydrophobicContact CG2-CB 4.27Å; S99-E102 VanDerWaalsContact CB-OE2 3.31Å; S99-E102 WeakPolarHBondContact CB-OE2 3.41Å; S99-E102 PolarHBondContact N-OE2 3.27Å; S99-E102 PolarHBondContact O-N 2.94Å; S99-E102 VanDerWaalsContact O-N 3.1Å; S99-E102 WeakPolarHBondContact OG-CB 3.42Å; S99-E102 VanDerWaalsContact OG-CD 3.32Å; S99-E102 VanDerWaalsContact OG-CG 3.27Å; S99-E102 WeakPolarHBondContact OG-CG 3.49Å; S99-E102 PolarHBondContact OG-N 3.44Å; S99-E102 PolarHBondContact OG-OE2 3.02Å; E102-G104 VanDerWaalsContact C-N 3.31Å; E102-G104 PolarHBondContact O-N 3.27Å; E102-M105 HydrophobicContact CG-CE 4.05Å; E102-M105 PolarHBondContact O-N 3.4Å; E102-A106 WeakPolarHBondContact O-CB 3.4Å; E102-A106 PolarHBondContact O-N 3.32Å
103	L	72	Confident	70.5	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-56.3	-48	171.5	-179	63	0	0	0	110.8	I98 S99 M105 A106 M107 L119 I122 M123 L126 M241	I98-L103 HydrophobicContact CG2-CB 4.17Å; S99-L103 PolarHBondContact O-N 3.06Å; L103-M105 VanDerWaalsContact C-N 3.34Å; L103-M105 PolarHBondContact O-N 3.46Å; L103-A106 PolarHBondContact O-N 2.91Å; L103-M107 HydrophobicContact CD1-SD 4.46Å; L103-M107 HydrophobicContact CG-SD 4.14Å; L103-M107 WeakPolarHBondContact O-CG 3.3Å; L103-M107 PolarHBondContact O-N 2.82Å; L103-L119 HydrophobicContact CB-CD1 4.31Å; L103-L119 HydrophobicContact CD2-CD1 3.95Å; L103-L119 HydrophobicContact CG-CD1 3.92Å; L103-I122 HydrophobicContact CD2-CG2 3.84Å; L103-M123 HydrophobicContact CD2-SD 4.3Å; L103-L126 HydrophobicContact CD1-CD1 4.48Å; L103-L126 HydrophobicContact CD2-CD1 4Å; L103-M241 HydrophobicContact CD1-CE 4.38Å
104	G	69.3	Low	69.4	Low	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-35.9	177.8	0	0	0	0	0	113.3	K100 Q101 E102 R108	K100-G104 PolarHBondContact O-N 3.36Å; Q101-G104 PolarHBondContact O-N 3.36Å; E102-G104 VanDerWaalsContact C-N 3.31Å; E102-G104 PolarHBondContact O-N 3.27Å; G104-R108 WeakPolarHBondContact O-CB 3.34Å; G104-R108 WeakPolarHBondContact O-CG 3.26Å; G104-R108 PolarHBondContact O-N 3Å; G104-R108 VanDerWaalsContact O-N 3.08Å; G104-R108 PolarHBondContact O-NE 3.46Å
105	M	67.7	Low	68.3	Low	66 Å²	66	51.1 Å²	51.1	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-68	-43.9	174.5	-80.1	-171.1	-72.3	0	0	111.7	Q101 E102 L103 R108 S109	Q101-M105 WeakPolarHBondContact O-CB 3.48Å; Q101-M105 WeakPolarHBondContact O-CG 3.05Å; Q101-M105 PolarHBondContact O-N 3.02Å; E102-M105 HydrophobicContact CG-CE 4.05Å; E102-M105 PolarHBondContact O-N 3.4Å; L103-M105 VanDerWaalsContact C-N 3.34Å; L103-M105 PolarHBondContact O-N 3.46Å; M105-R108 PolarHBondContact O-N 2.74Å; M105-S109 PolarHBondContact O-N 3.07Å; M105-S109 PolarHBondContact O-OG 3.07Å
106	A	63.8	Low	67.8	Low	15 Å²	15	54.2 Å²	54.2	12%	0.124	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-50.1	175.4	0	0	0	0	0	110.2	L90 E102 L103 R108 S109 L110	L90-A106 HydrophobicContact CD2-CB 3.43Å; L90-A106 VanDerWaalsContact CD2-CB 3.43Å; E102-A106 WeakPolarHBondContact O-CB 3.4Å; E102-A106 PolarHBondContact O-N 3.32Å; L103-A106 PolarHBondContact O-N 2.91Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 2.96Å; A106-S109 WeakPolarHBondContact O-CA 3.43Å; A106-S109 WeakPolarHBondContact O-CB 3.31Å; A106-S109 PolarHBondContact O-N 3.37Å; A106-L110 WeakPolarHBondContact O-CG 3.28Å; A106-L110 PolarHBondContact O-N 3.01Å
107	M	59.1	Low	66.8	Low	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-41.8	177	-68	172.1	97.4	0	0	112.9	L103 L110 G111 Y112 P114 L119 I122 I245	L103-M107 HydrophobicContact CD1-SD 4.46Å; L103-M107 HydrophobicContact CG-SD 4.14Å; L103-M107 WeakPolarHBondContact O-CG 3.3Å; L103-M107 PolarHBondContact O-N 2.82Å; M107-L110 CarbonylContact O-C 3.6Å; M107-L110 WeakPolarHBondContact O-CB 3.38Å; M107-L110 PolarHBondContact O-N 2.94Å; M107-L110 VanDerWaalsContact O-N 3.14Å; M107-G111 PolarHBondContact O-N 3.44Å; M107-Y112 CarbonylContact C-O 3.14Å; M107-Y112 HydrophobicContact CB-CD1 4.26Å; M107-Y112 HydrophobicContact CE-CD1 3.64Å; M107-Y112 HydrophobicContact CE-CE1 3.5Å; M107-Y112 VanDerWaalsContact CE-CE1 3.5Å; M107-Y112 PolarHBondContact O-N 3.01Å; M107-P114 HydrophobicContact CB-CG 4.02Å; M107-P114 HydrophobicContact CE-CB 4.11Å; M107-P114 HydrophobicContact CE-CG 4.27Å; M107-P114 HydrophobicContact SD-CB 4.17Å; M107-P114 HydrophobicContact SD-CG 3.79Å; M107-L119 HydrophobicContact SD-CD1 3.69Å; M107-I122 HydrophobicContact CE-CD1 3.37Å; M107-I122 HydrophobicContact SD-CD1 4.3Å; M107-I245 HydrophobicContact CE-CD1 3.64Å; M107-I245 HydrophobicContact CE-CG1 3.79Å; M107-I245 HydrophobicContact CE-CG2 4.03Å; M107-I245 HydrophobicContact CG-CD1 3.83Å
108	R	62.1	Low	65.2	Low	118 Å²	118	56.8 Å²	56.8	45%	0.445	31%	0.306	S	S	.	.	H	α-helix	trans	-67	-38.2	175.5	-75.6	-173	-67.5	-92.1	2	112.9	G104 M105 A106 L110 G111 Y112 M113	G104-R108 WeakPolarHBondContact O-CB 3.34Å; G104-R108 WeakPolarHBondContact O-CG 3.26Å; G104-R108 PolarHBondContact O-N 3Å; G104-R108 VanDerWaalsContact O-N 3.08Å; G104-R108 PolarHBondContact O-NE 3.46Å; M105-R108 PolarHBondContact O-N 2.74Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 2.96Å; R108-L110 PolarHBondContact O-N 3Å; R108-G111 PolarHBondContact O-N 2.83Å; R108-Y112 WeakPolarHBondContact CA-O 3.37Å; R108-Y112 PolarHBondContact N-O 3.44Å; R108-M113 HydrophobicContact CG-CG 4.3Å
109	S	49.7	Very low	64.5	Low	76 Å²	76	56.9 Å²	56.9	53%	0.531	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-24.6	172.7	-70.4	0	0	0	0	112.3	R92 M105 A106 G111	R92-S109 PolarHBondContact NH2-OG 2.81Å; M105-S109 PolarHBondContact O-N 3.07Å; M105-S109 PolarHBondContact O-OG 3.07Å; A106-S109 WeakPolarHBondContact O-CA 3.43Å; A106-S109 WeakPolarHBondContact O-CB 3.31Å; A106-S109 PolarHBondContact O-N 3.37Å; S109-G111 VanDerWaalsContact C-N 3.32Å
110	L	47.1	Very low	63.4	Low	46 Å²	46	58 Å²	58	24%	0.241	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.6	173.8	-55.4	-175.2	0	0	0	114	A106 M107 R108 A238 M241	A106-L110 WeakPolarHBondContact O-CG 3.28Å; A106-L110 PolarHBondContact O-N 3.01Å; M107-L110 CarbonylContact O-C 3.6Å; M107-L110 WeakPolarHBondContact O-CB 3.38Å; M107-L110 PolarHBondContact O-N 2.94Å; M107-L110 VanDerWaalsContact O-N 3.14Å; R108-L110 PolarHBondContact O-N 3Å; L110-A238 HydrophobicContact CD1-CB 4.3Å; L110-A238 HydrophobicContact CD2-CB 3.21Å; L110-A238 HydrophobicContact CG-CB 4.27Å; L110-M241 HydrophobicContact CD1-CB 3.54Å; L110-M241 HydrophobicContact CD1-CG 4.41Å
111	G	45.4	Very low	62.3	Low	66 Å²	66	59.1 Å²	59.1	68%	0.68	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	4.1	179.3	0	0	0	0	0	115	M107 R108 S109	M107-G111 PolarHBondContact O-N 3.44Å; R108-G111 PolarHBondContact O-N 2.83Å; S109-G111 VanDerWaalsContact C-N 3.32Å
112	Y	47.4	Very low	61.4	Low	61 Å²	61	53.9 Å²	53.9	24%	0.239	30%	0.301	C	S	.	.			trans	-100.7	128.3	174.8	178.3	-112.2	0	0	0	110.9	M107 R108 P114 E118 I245 L249	M107-Y112 CarbonylContact C-O 3.14Å; M107-Y112 HydrophobicContact CB-CD1 4.26Å; M107-Y112 HydrophobicContact CE-CD1 3.64Å; M107-Y112 HydrophobicContact CE-CE1 3.5Å; M107-Y112 VanDerWaalsContact CE-CE1 3.5Å; M107-Y112 PolarHBondContact O-N 3.01Å; R108-Y112 WeakPolarHBondContact CA-O 3.37Å; R108-Y112 PolarHBondContact N-O 3.44Å; Y112-P114 HydrophobicContact CD1-CB 4.15Å; Y112-P114 HydrophobicContact CD1-CG 4.35Å; Y112-P114 HydrophobicContact CE1-CB 3.62Å; Y112-P114 HydrophobicContact CE1-CG 4.3Å; Y112-P114 WeakPolarHBondContact O-CD 3.4Å; Y112-E118 PolarHBondContact OH-OE1 3.2Å; Y112-E118 PolarHBondContact OH-OE2 2.91Å; Y112-I245 HydrophobicContact CD1-CG2 4.16Å; Y112-I245 HydrophobicContact CE1-CG2 3.98Å; Y112-L249 HydrophobicContact CE2-CD1 4.19Å
113	M	54.4	Low	60.9	Low	159 Å²	159	54 Å²	54	78%	0.783	30%	0.301	S	S	*	.			trans	-103.1	86.3	177.2	-75	169.9	78.9	0	0	109.7	R108	R108-M113 HydrophobicContact CG-CG 4.3Å
114	P	56.9	Low	60.8	Low	15 Å²	15	61 Å²	61	10%	0.097	33%	0.334	C	S	.	.			trans	-64.1	141.5	177.6	26.4	-34.8	0	0	0	110.8	M107 Y112 L119	M107-P114 HydrophobicContact CB-CG 4.02Å; M107-P114 HydrophobicContact CE-CB 4.11Å; M107-P114 HydrophobicContact CE-CG 4.27Å; M107-P114 HydrophobicContact SD-CB 4.17Å; M107-P114 HydrophobicContact SD-CG 3.79Å; Y112-P114 HydrophobicContact CD1-CB 4.15Å; Y112-P114 HydrophobicContact CD1-CG 4.35Å; Y112-P114 HydrophobicContact CE1-CB 3.62Å; Y112-P114 HydrophobicContact CE1-CG 4.3Å; Y112-P114 WeakPolarHBondContact O-CD 3.4Å; P114-L119 HydrophobicContact CB-CB 4.49Å; P114-L119 HydrophobicContact CG-CD1 4.38Å
115	S	62.7	Low	60.5	Low	54 Å²	54	69.1 Å²	69.1	38%	0.378	37%	0.365	S	S	.	.			trans	-70.8	158.9	163.7	67.6	0	0	0	0	111.2	V117 E118 L119	S115-V117 PolarHBondContact O-N 2.96Å; S115-V117 VanDerWaalsContact O-N 3.16Å; S115-E118 VanDerWaalsContact CB-OE2 3.27Å; S115-E118 WeakPolarHBondContact CB-OE2 3.33Å; S115-E118 PolarHBondContact N-OE2 3.39Å; S115-E118 PolarHBondContact O-N 3.23Å; S115-E118 WeakPolarHBondContact OG-CG 3.4Å; S115-E118 PolarHBondContact OG-N 2.87Å; S115-E118 PolarHBondContact OG-OE2 3.25Å; S115-L119 WeakPolarHBondContact O-CB 3.32Å; S115-L119 PolarHBondContact O-N 3.4Å
116	E	74.1	Confident	60.5	Low	131 Å²	131	67.2 Å²	67.2	61%	0.612	36%	0.355	S	S	*	.	H	α-helix	trans	-56.8	-30.6	177.1	-82.8	-65.1	155.3	0	0	113.6	K100 A120	K100-E116 PolarHBondContact NZ-O 3.19Å; K100-E116 VanDerWaalsContact NZ-O 3.13Å; K100-E116 IonicContact NZ-OE2 2.67Å; K100-E116 PolarHBondContact NZ-OE2 2.88Å; E116-A120 WeakPolarHBondContact O-CB 3.4Å; E116-A120 PolarHBondContact O-N 3.07Å; E116-A120 VanDerWaalsContact O-N 3.07Å
117	V	63.4	Low	61.1	Low	101 Å²	101	67.5 Å²	67.5	61%	0.612	36%	0.355	S	S	*	.	H	α-helix	trans	-74.2	-47.8	179	178.9	0	0	0	0	110.5	S115 L119 A120 I121	S115-V117 PolarHBondContact O-N 2.96Å; S115-V117 VanDerWaalsContact O-N 3.16Å; V117-L119 VanDerWaalsContact C-N 3.28Å; V117-L119 PolarHBondContact O-N 2.95Å; V117-A120 PolarHBondContact O-N 3.15Å; V117-I121 HydrophobicContact CG1-CD1 3.97Å; V117-I121 VanDerWaalsContact O-CG1 3.31Å; V117-I121 WeakPolarHBondContact O-CG1 3.31Å; V117-I121 PolarHBondContact O-N 2.83Å
118	E	56.6	Low	61.7	Low	61 Å²	61	73.4 Å²	73.4	29%	0.285	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-42.8	175.7	-72	163.4	129.1	0	0	110.9	Y112 S115 A120 I121 I122 L249	Y112-E118 PolarHBondContact OH-OE1 3.2Å; Y112-E118 PolarHBondContact OH-OE2 2.91Å; S115-E118 VanDerWaalsContact CB-OE2 3.27Å; S115-E118 WeakPolarHBondContact CB-OE2 3.33Å; S115-E118 PolarHBondContact N-OE2 3.39Å; S115-E118 PolarHBondContact O-N 3.23Å; S115-E118 WeakPolarHBondContact OG-CG 3.4Å; S115-E118 PolarHBondContact OG-N 2.87Å; S115-E118 PolarHBondContact OG-OE2 3.25Å; E118-A120 VanDerWaalsContact C-N 3.32Å; E118-A120 PolarHBondContact O-N 3.27Å; E118-I121 PolarHBondContact O-N 3.21Å; E118-I122 VanDerWaalsContact O-CG1 3.23Å; E118-I122 WeakPolarHBondContact O-CG1 3.24Å; E118-I122 PolarHBondContact O-N 2.87Å; E118-L249 HydrophobicContact CG-CD2 4.36Å
119	L	66.4	Low	62.5	Low	6 Å²	6	72.7 Å²	72.7	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-65	-36.9	178.7	-165	62.9	0	0	0	112	K100 L103 M107 P114 S115 V117 M123	K100-L119 HydrophobicContact CD-CD2 4.29Å; K100-L119 HydrophobicContact CD-CG 4.34Å; K100-L119 HydrophobicContact CG-CD2 3.72Å; K100-L119 HydrophobicContact CG-CG 3.68Å; K100-L119 WeakPolarHBondContact O-CD2 3.42Å; L103-L119 HydrophobicContact CB-CD1 4.31Å; L103-L119 HydrophobicContact CD2-CD1 3.95Å; L103-L119 HydrophobicContact CG-CD1 3.92Å; M107-L119 HydrophobicContact SD-CD1 3.69Å; P114-L119 HydrophobicContact CB-CB 4.49Å; P114-L119 HydrophobicContact CG-CD1 4.38Å; S115-L119 WeakPolarHBondContact O-CB 3.32Å; S115-L119 PolarHBondContact O-N 3.4Å; V117-L119 VanDerWaalsContact C-N 3.28Å; V117-L119 PolarHBondContact O-N 2.95Å; L119-M123 VanDerWaalsContact O-CB 3.29Å; L119-M123 WeakPolarHBondContact O-CB 3.15Å; L119-M123 PolarHBondContact O-N 3.45Å
120	A	64.8	Low	64	Low	42 Å²	42	71.9 Å²	71.9	35%	0.347	39%	0.393	S	S	.	.	H	α-helix	trans	-67.8	-39.7	174.4	0	0	0	0	0	112.6	E116 V117 E118 M123 Q124	E116-A120 WeakPolarHBondContact O-CB 3.4Å; E116-A120 PolarHBondContact O-N 3.07Å; E116-A120 VanDerWaalsContact O-N 3.07Å; V117-A120 PolarHBondContact O-N 3.15Å; E118-A120 VanDerWaalsContact C-N 3.32Å; E118-A120 PolarHBondContact O-N 3.27Å; A120-M123 PolarHBondContact O-N 3Å; A120-Q124 WeakPolarHBondContact O-CB 3.36Å; A120-Q124 PolarHBondContact O-N 3.47Å
121	I	60.7	Low	65.8	Low	76 Å²	76	73.1 Å²	73.1	39%	0.39	40%	0.4	S	S	.	.	H	α-helix	trans	-65	-43.7	177.5	-68.7	164.6	0	0	0	110.7	V117 E118 M123 R125	V117-I121 HydrophobicContact CG1-CD1 3.97Å; V117-I121 VanDerWaalsContact O-CG1 3.31Å; V117-I121 WeakPolarHBondContact O-CG1 3.31Å; V117-I121 PolarHBondContact O-N 2.83Å; E118-I121 PolarHBondContact O-N 3.21Å; I121-M123 VanDerWaalsContact C-N 3.35Å; I121-R125 PolarHBondContact O-N 2.83Å
122	I	64.2	Low	67.4	Low	19 Å²	19	71.9 Å²	71.9	10%	0.097	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-46.1	177.1	-64.3	164.5	0	0	0	109.2	L103 M107 E118 Q124 R125 L126	L103-I122 HydrophobicContact CD2-CG2 3.84Å; M107-I122 HydrophobicContact CE-CD1 3.37Å; M107-I122 HydrophobicContact SD-CD1 4.3Å; E118-I122 VanDerWaalsContact O-CG1 3.23Å; E118-I122 WeakPolarHBondContact O-CG1 3.24Å; E118-I122 PolarHBondContact O-N 2.87Å; I122-Q124 PolarHBondContact O-N 3.3Å; I122-R125 WeakPolarHBondContact O-CA 3.41Å; I122-R125 WeakPolarHBondContact O-CB 3.37Å; I122-R125 PolarHBondContact O-N 3.02Å; I122-L126 HydrophobicContact CG2-CD1 3.81Å; I122-L126 HydrophobicContact CG2-CG 4.25Å; I122-L126 WeakPolarHBondContact O-CG 3.41Å; I122-L126 PolarHBondContact O-N 2.81Å; I122-L126 VanDerWaalsContact O-N 3.07Å
123	M	72.2	Confident	69.3	Low	11 Å²	11	71.9 Å²	71.9	5%	0.054	39%	0.389	C	S	.	.	H	α-helix	trans	-56.7	-51.3	178	-162.9	69.5	-160.2	0	0	111.6	K100 L103 L119 A120 I121 R125 L126 D127 G132 Q133 V134	K100-M123 HydrophobicContact CB-SD 4.44Å; L103-M123 HydrophobicContact CD2-SD 4.3Å; L119-M123 VanDerWaalsContact O-CB 3.29Å; L119-M123 WeakPolarHBondContact O-CB 3.15Å; L119-M123 PolarHBondContact O-N 3.45Å; A120-M123 PolarHBondContact O-N 3Å; I121-M123 VanDerWaalsContact C-N 3.35Å; M123-R125 PolarHBondContact O-N 3.35Å; M123-L126 PolarHBondContact O-N 3.1Å; M123-D127 HydrophobicContact CE-CB 4.22Å; M123-D127 WeakPolarHBondContact O-CB 3.35Å; M123-D127 PolarHBondContact O-N 3.48Å; M123-G132 WeakPolarHBondContact CE-O 3.47Å; M123-Q133 WeakPolarHBondContact CE-O 3.36Å; M123-V134 HydrophobicContact CE-CB 4.43Å; M123-V134 HydrophobicContact CE-CG2 3.36Å; M123-V134 HydrophobicContact SD-CG2 3.98Å
124	Q	68.3	Low	70.6	Confident	156 Å²	156	64.3 Å²	64.3	73%	0.729	35%	0.352	S	S	*	.	H	α-helix	trans	-58.1	-22.5	177.5	-173.9	-179	4.4	0	0	113.5	A120 I122	A120-Q124 WeakPolarHBondContact O-CB 3.36Å; A120-Q124 PolarHBondContact O-N 3.47Å; I122-Q124 PolarHBondContact O-N 3.3Å
125	R	64.6	Low	72	Confident	172 Å²	172	65.5 Å²	65.5	65%	0.649	36%	0.357	S	S	*	.	H	α-helix	trans	-87.1	-26.5	177.9	-169.4	55	173.9	174.3	3.7	112.8	I121 I122 M123 M248	I121-R125 PolarHBondContact O-N 2.83Å; I122-R125 WeakPolarHBondContact O-CA 3.41Å; I122-R125 WeakPolarHBondContact O-CB 3.37Å; I122-R125 PolarHBondContact O-N 3.02Å; M123-R125 PolarHBondContact O-N 3.35Å; R125-M248 HydrophobicContact CG-CE 4.32Å; R125-M248 HydrophobicContact CG-SD 3.91Å
126	L	67.1	Low	72.9	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-89.6	-43.1	-179.8	-62.2	175.9	0	0	0	111.7	L103 I122 M123 M128 V134 I142	L103-L126 HydrophobicContact CD1-CD1 4.48Å; L103-L126 HydrophobicContact CD2-CD1 4Å; I122-L126 HydrophobicContact CG2-CD1 3.81Å; I122-L126 HydrophobicContact CG2-CG 4.25Å; I122-L126 WeakPolarHBondContact O-CG 3.41Å; I122-L126 PolarHBondContact O-N 2.81Å; I122-L126 VanDerWaalsContact O-N 3.07Å; M123-L126 PolarHBondContact O-N 3.1Å; L126-M128 PolarHBondContact O-N 3.4Å; L126-V134 HydrophobicContact CB-CG1 4.17Å; L126-V134 HydrophobicContact CB-CG2 3.53Å; L126-V134 HydrophobicContact CD1-CG2 4.21Å; L126-I142 HydrophobicContact CB-CD1 4.26Å; L126-I142 HydrophobicContact CD2-CD1 3.45Å; L126-I142 VanDerWaalsContact CD2-CD1 3.45Å; L126-I142 HydrophobicContact CD2-CG2 4.26Å; L126-I142 HydrophobicContact CG-CD1 4.39Å
127	D	76.3	Confident	73.1	Confident	22 Å²	22	64.1 Å²	64.1	12%	0.118	35%	0.348	C	S	.	.			trans	-74.2	97.2	177.3	179	3.9	0	0	0	109.4	M123 D129 G130 D131 G132	M123-D127 HydrophobicContact CE-CB 4.22Å; M123-D127 WeakPolarHBondContact O-CB 3.35Å; M123-D127 PolarHBondContact O-N 3.48Å; D127-D129 VanDerWaalsContact OD1-OD1 3.09Å; D127-G130 WeakPolarHBondContact OD1-CA 3.22Å; D127-G130 PolarHBondContact OD1-N 2.95Å; D127-G130 WeakPolarHBondContact OD2-CA 3.27Å; D127-D131 PolarHBondContact OD1-N 3.24Å; D127-D131 PolarHBondContact OD2-N 2.95Å; D127-G132 VanDerWaalsContact OD2-CA 3.24Å; D127-G132 WeakPolarHBondContact OD2-CA 3.18Å; D127-G132 PolarHBondContact OD2-N 3.48Å
128	M	72	Confident	73.7	Confident	125 Å²	125	59.9 Å²	59.9	62%	0.616	32%	0.321	S	S	*	.	S	Bend	trans	-85.1	-30.2	-176.2	-66.8	-176.3	58.2	0	0	111.5	L126 E138 T141	L126-M128 PolarHBondContact O-N 3.4Å; M128-E138 WeakPolarHBondContact CA-OE1 3.28Å; M128-E138 HydrophobicContact CB-CG 4.3Å; M128-E138 WeakPolarHBondContact CB-OE1 3.31Å; M128-E138 HydrophobicContact CG-CG 4.49Å; M128-E138 PolarHBondContact N-OE1 3.21Å; M128-T141 HydrophobicContact CE-CG2 4.26Å; M128-T141 HydrophobicContact SD-CG2 3.83Å
129	D	78.1	Confident	74.4	Confident	102 Å²	102	57.9 Å²	57.9	55%	0.545	31%	0.312	S	S	.	.	S	Bend	trans	-91	-14.7	-179.3	80.6	-9.1	0	0	0	113.8	D127 D131 E138	D127-D129 VanDerWaalsContact OD1-OD1 3.09Å; D129-D131 WeakPolarHBondContact OD1-CB 3.08Å; D129-D131 PolarHBondContact OD1-N 3.2Å; D129-E138 PolarHBondContact N-OE1 3.07Å
130	G	82.3	Confident	74.5	Confident	59 Å²	59	58.3 Å²	58.3	61%	0.608	31%	0.314	S	S	*	.			trans	81.6	21.1	175.9	0	0	0	0	0	114.1	D127 G132	D127-G130 WeakPolarHBondContact OD1-CA 3.22Å; D127-G130 PolarHBondContact OD1-N 2.95Å; D127-G130 WeakPolarHBondContact OD2-CA 3.27Å; G130-G132 PolarHBondContact O-N 2.72Å
131	D	83.2	Confident	74.5	Confident	73 Å²	73	59.5 Å²	59.5	39%	0.39	32%	0.317	S	S	.	.	S	Bend	trans	-78.6	-7.4	-177.3	91.4	-22.6	0	0	0	113.7	D127 D129 Q133	D127-D131 PolarHBondContact OD1-N 3.24Å; D127-D131 PolarHBondContact OD2-N 2.95Å; D129-D131 WeakPolarHBondContact OD1-CB 3.08Å; D129-D131 PolarHBondContact OD1-N 3.2Å; D131-Q133 VanDerWaalsContact OD1-CA 3.31Å; D131-Q133 WeakPolarHBondContact OD1-CA 3.31Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.02Å; D131-Q133 PolarHBondContact OD1-N 2.83Å; D131-Q133 VanDerWaalsContact OD1-O 3.12Å
132	G	80.8	Confident	74.6	Confident	40 Å²	40	58.3 Å²	58.3	41%	0.412	31%	0.31	S	S	.	.	S	Bend	trans	83.5	10	-179.8	0	0	0	0	0	114.1	M123 D127 G130	M123-G132 WeakPolarHBondContact CE-O 3.47Å; D127-G132 VanDerWaalsContact OD2-CA 3.24Å; D127-G132 WeakPolarHBondContact OD2-CA 3.18Å; D127-G132 PolarHBondContact OD2-N 3.48Å; G130-G132 PolarHBondContact O-N 2.72Å
133	Q	86.8	Confident	74.1	Confident	60 Å²	60	59.2 Å²	59.2	28%	0.28	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	170.9	175	-62	177.7	101.5	0	0	109.4	F97 M123 D131	F97-Q133 HydrophobicContact CB-CB 4.04Å; F97-Q133 HydrophobicContact CD1-CB 4.37Å; M123-Q133 WeakPolarHBondContact CE-O 3.36Å; D131-Q133 VanDerWaalsContact OD1-CA 3.31Å; D131-Q133 WeakPolarHBondContact OD1-CA 3.31Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.02Å; D131-Q133 PolarHBondContact OD1-N 2.83Å; D131-Q133 VanDerWaalsContact OD1-O 3.12Å
134	V	81.6	Confident	72.9	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.1	173.2	-170.7	0	0	0	0	108.1	F97 I98 M123 L126 E138 F139	F97-V134 CarbonylContact C-O 3.56Å; F97-V134 WeakPolarHBondContact CA-O 3.3Å; I98-V134 HydrophobicContact CB-CB 4.23Å; I98-V134 PolarHBondContact N-O 2.82Å; I98-V134 PolarHBondContact O-N 3.35Å; M123-V134 HydrophobicContact CE-CB 4.43Å; M123-V134 HydrophobicContact CE-CG2 3.36Å; M123-V134 HydrophobicContact SD-CG2 3.98Å; L126-V134 HydrophobicContact CB-CG1 4.17Å; L126-V134 HydrophobicContact CB-CG2 3.53Å; L126-V134 HydrophobicContact CD1-CG2 4.21Å; V134-E138 WeakPolarHBondContact CA-OE2 3.38Å; V134-E138 HydrophobicContact CG1-CB 3.87Å; V134-F139 HydrophobicContact CG1-CB 4.32Å
135	D	86.4	Confident	71.9	Confident	40 Å²	40	54.7 Å²	54.7	21%	0.214	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	173.6	174.3	78.3	36.8	0	0	0	112.4	F97 D137 E138 F139	F97-D135 HydrophobicContact CD1-CB 3.87Å; F97-D135 HydrophobicContact CE1-CB 3.89Å; D135-D137 WeakPolarHBondContact OD1-CA 3.31Å; D135-D137 WeakPolarHBondContact OD1-CB 3.47Å; D135-D137 PolarHBondContact OD1-N 2.85Å; D135-E138 PolarHBondContact N-OE2 3.43Å; D135-E138 WeakPolarHBondContact OD1-CG 3.46Å; D135-E138 PolarHBondContact OD1-N 3.33Å; D135-F139 WeakPolarHBondContact O-CB 3.12Å; D135-F139 PolarHBondContact O-N 2.94Å
136	F	80.4	Confident	70.8	Confident	48 Å²	48	54.2 Å²	54.2	21%	0.211	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-35.7	-178.4	-176	-111.8	0	0	0	113.3	I83 R84 F87 F139 M140	I83-F136 HydrophobicContact CG2-CE2 4.1Å; I83-F136 HydrophobicContact CG2-CZ 4.41Å; R84-F136 HydrophobicContact CB-CE2 4.13Å; R84-F136 HydrophobicContact CB-CZ 4.04Å; R84-F136 HydrophobicContact CG-CE2 4.3Å; R84-F136 HydrophobicContact CG-CZ 4.27Å; F87-F136 HydrophobicContact CB-CD2 3.86Å; F87-F136 HydrophobicContact CB-CE2 4.06Å; F87-F136 HydrophobicContact CD1-CD2 4.12Å; F87-F136 HydrophobicContact CD2-CB 4.44Å; F87-F136 AromaticContact CD2-CD2 3.81Å; F87-F136 HydrophobicContact CD2-CD2 3.81Å; F87-F136 HydrophobicContact CE1-CB 4.46Å; F87-F136 HydrophobicContact CE2-CB 4.18Å; F87-F136 HydrophobicContact CE2-CD2 4.38Å; F87-F136 AromaticContact CG-CD2 3.65Å; F87-F136 HydrophobicContact CG-CD2 3.65Å; F87-F136 HydrophobicContact CG-CE2 4.35Å; F87-F136 HydrophobicContact CZ-CB 4.19Å; F136-F139 PolarHBondContact O-N 2.76Å; F136-M140 HydrophobicContact CD1-CG 4.26Å; F136-M140 HydrophobicContact CD1-SD 3.85Å; F136-M140 HydrophobicContact CE1-CG 3.87Å; F136-M140 HydrophobicContact CE1-SD 3.2Å; F136-M140 WeakPolarHBondContact CE1-SD 3.31Å; F136-M140 HydrophobicContact CE2-CG 4.18Å; F136-M140 HydrophobicContact CE2-SD 4.49Å; F136-M140 HydrophobicContact CZ-CG 3.82Å; F136-M140 HydrophobicContact CZ-SD 3.59Å; F136-M140 VanDerWaalsContact CZ-SD 3.59Å; F136-M140 WeakPolarHBondContact O-CB 3.34Å; F136-M140 VanDerWaalsContact O-CG 3.31Å; F136-M140 WeakPolarHBondContact O-CG 3.16Å; F136-M140 PolarHBondContact O-N 2.93Å
137	D	79.6	Confident	69.6	Low	108 Å²	108	56.6 Å²	56.6	58%	0.578	32%	0.316	S	S	*	.	H	α-helix	trans	-70.3	-37.8	179.5	-83.2	-79.2	0	0	0	111.1	D135 M140 T141	D135-D137 WeakPolarHBondContact OD1-CA 3.31Å; D135-D137 WeakPolarHBondContact OD1-CB 3.47Å; D135-D137 PolarHBondContact OD1-N 2.85Å; D137-M140 PolarHBondContact O-N 2.96Å; D137-T141 WeakPolarHBondContact O-CB 3.31Å; D137-T141 PolarHBondContact O-N 3.18Å; D137-T141 PolarHBondContact O-OG1 2.98Å
138	E	76.1	Confident	67.8	Low	12 Å²	12	58.2 Å²	58.2	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-45.4	172.3	-67.7	179.7	133.2	0	0	111.3	M128 D129 V134 D135 M140 T141 I142	M128-E138 WeakPolarHBondContact CA-OE1 3.28Å; M128-E138 HydrophobicContact CB-CG 4.3Å; M128-E138 WeakPolarHBondContact CB-OE1 3.31Å; M128-E138 HydrophobicContact CG-CG 4.49Å; M128-E138 PolarHBondContact N-OE1 3.21Å; D129-E138 PolarHBondContact N-OE1 3.07Å; V134-E138 WeakPolarHBondContact CA-OE2 3.38Å; V134-E138 HydrophobicContact CG1-CB 3.87Å; D135-E138 PolarHBondContact N-OE2 3.43Å; D135-E138 WeakPolarHBondContact OD1-CG 3.46Å; D135-E138 PolarHBondContact OD1-N 3.33Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 3.46Å; E138-T141 PolarHBondContact O-N 3.06Å; E138-I142 WeakPolarHBondContact O-CG1 3.15Å; E138-I142 PolarHBondContact O-N 3.29Å
139	F	71.3	Confident	66.3	Low	19 Å²	19	56.9 Å²	56.9	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-59	-43.5	174.2	-172	-106.4	0	0	0	111.7	I83 A86 F87 L90 I98 V134 D135 F136 I142 L143	I83-F139 HydrophobicContact CG2-CD1 3.85Å; I83-F139 HydrophobicContact CG2-CE1 3.86Å; A86-F139 HydrophobicContact CB-CE1 4.4Å; A86-F139 HydrophobicContact CB-CZ 4.35Å; F87-F139 HydrophobicContact CB-CD1 4.14Å; F87-F139 HydrophobicContact CB-CE1 4.04Å; F87-F139 HydrophobicContact CD2-CB 3.89Å; F87-F139 AromaticContact CD2-CD1 3.76Å; F87-F139 HydrophobicContact CD2-CD1 3.76Å; F87-F139 HydrophobicContact CD2-CD2 4.35Å; F87-F139 HydrophobicContact CD2-CE1 4.32Å; F87-F139 AromaticContact CD2-CG 3.77Å; F87-F139 HydrophobicContact CD2-CG 3.77Å; F87-F139 HydrophobicContact CE2-CB 4.11Å; F87-F139 HydrophobicContact CE2-CG 4.4Å; F87-F139 HydrophobicContact CG-CD1 4.45Å; L90-F139 HydrophobicContact CD1-CE2 3.81Å; L90-F139 HydrophobicContact CD1-CZ 3.86Å; I98-F139 HydrophobicContact CD1-CD2 4.05Å; I98-F139 HydrophobicContact CD1-CE2 4.23Å; V134-F139 HydrophobicContact CG1-CB 4.32Å; D135-F139 WeakPolarHBondContact O-CB 3.12Å; D135-F139 PolarHBondContact O-N 2.94Å; F136-F139 PolarHBondContact O-N 2.76Å; F139-I142 PolarHBondContact O-N 2.88Å; F139-L143 HydrophobicContact CD1-CD1 3.7Å; F139-L143 HydrophobicContact CD2-CD1 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.29Å; F139-L143 HydrophobicContact CE2-CD1 3.82Å; F139-L143 HydrophobicContact CG-CD1 4.15Å; F139-L143 HydrophobicContact CZ-CD1 3.35Å; F139-L143 WeakPolarHBondContact O-CB 3.33Å; F139-L143 WeakPolarHBondContact O-CG 3.31Å; F139-L143 PolarHBondContact O-N 3.45Å; F139-L143 VanDerWaalsContact O-N 3.16Å
140	M	68.9	Low	64.7	Low	15 Å²	15	56.7 Å²	56.7	7%	0.074	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-37.5	174.6	-80.3	-169	69.3	0	0	112.9	I75 L80 I83 F136 D137 E138 I142 L143 G144	I75-M140 HydrophobicContact CD1-CE 3.78Å; L80-M140 HydrophobicContact CD1-CE 4.28Å; L80-M140 HydrophobicContact CG-CE 4.24Å; I83-M140 HydrophobicContact CG2-CG 4.04Å; F136-M140 HydrophobicContact CD1-CG 4.26Å; F136-M140 HydrophobicContact CD1-SD 3.85Å; F136-M140 HydrophobicContact CE1-CG 3.87Å; F136-M140 HydrophobicContact CE1-SD 3.2Å; F136-M140 WeakPolarHBondContact CE1-SD 3.31Å; F136-M140 HydrophobicContact CE2-CG 4.18Å; F136-M140 HydrophobicContact CE2-SD 4.49Å; F136-M140 HydrophobicContact CZ-CG 3.82Å; F136-M140 HydrophobicContact CZ-SD 3.59Å; F136-M140 VanDerWaalsContact CZ-SD 3.59Å; F136-M140 WeakPolarHBondContact O-CB 3.34Å; F136-M140 VanDerWaalsContact O-CG 3.31Å; F136-M140 WeakPolarHBondContact O-CG 3.16Å; F136-M140 PolarHBondContact O-N 2.93Å; D137-M140 PolarHBondContact O-N 2.96Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 3.46Å; M140-I142 PolarHBondContact O-N 3.12Å; M140-L143 PolarHBondContact O-N 2.89Å; M140-G144 VanDerWaalsContact O-CA 3.31Å; M140-G144 WeakPolarHBondContact O-CA 3.3Å; M140-G144 PolarHBondContact O-N 2.95Å
141	T	64.7	Low	62.6	Low	67 Å²	67	63.1 Å²	63.1	41%	0.411	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-28.5	-179.2	-64.5	0	0	0	0	111.5	M128 D137 E138 P145	M128-T141 HydrophobicContact CE-CG2 4.26Å; M128-T141 HydrophobicContact SD-CG2 3.83Å; D137-T141 WeakPolarHBondContact O-CB 3.31Å; D137-T141 PolarHBondContact O-N 3.18Å; D137-T141 PolarHBondContact O-OG1 2.98Å; E138-T141 PolarHBondContact O-N 3.06Å; T141-P145 WeakPolarHBondContact O-CD 3.46Å; T141-P145 WeakPolarHBondContact O-CG 3.43Å
142	I	61.4	Low	61	Low	50 Å²	50	62.8 Å²	62.8	26%	0.256	36%	0.364	S	S	.	.	H	α-helix	trans	-85.7	-34.1	178.6	-65.5	-177.9	0	0	0	112.2	L126 E138 F139 M140	L126-I142 HydrophobicContact CB-CD1 4.26Å; L126-I142 HydrophobicContact CD2-CD1 3.45Å; L126-I142 VanDerWaalsContact CD2-CD1 3.45Å; L126-I142 HydrophobicContact CD2-CG2 4.26Å; L126-I142 HydrophobicContact CG-CD1 4.39Å; E138-I142 WeakPolarHBondContact O-CG1 3.15Å; E138-I142 PolarHBondContact O-N 3.29Å; F139-I142 PolarHBondContact O-N 2.88Å; M140-I142 PolarHBondContact O-N 3.12Å
143	L	53.8	Low	58.7	Low	38 Å²	38	72.1 Å²	72.1	20%	0.199	39%	0.387	C	S	.	.	H	α-helix	trans	-90.8	-36.4	-178.2	-67.3	174.7	0	0	0	113.6	I83 F139 M140 K146 L147 I244	I83-L143 HydrophobicContact CG2-CD1 4.36Å; F139-L143 HydrophobicContact CD1-CD1 3.7Å; F139-L143 HydrophobicContact CD2-CD1 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.29Å; F139-L143 HydrophobicContact CE2-CD1 3.82Å; F139-L143 HydrophobicContact CG-CD1 4.15Å; F139-L143 HydrophobicContact CZ-CD1 3.35Å; F139-L143 WeakPolarHBondContact O-CB 3.33Å; F139-L143 WeakPolarHBondContact O-CG 3.31Å; F139-L143 PolarHBondContact O-N 3.45Å; F139-L143 VanDerWaalsContact O-N 3.16Å; M140-L143 PolarHBondContact O-N 2.89Å; L143-K146 PolarHBondContact O-N 2.82Å; L143-L147 PolarHBondContact O-N 2.87Å; L143-I244 HydrophobicContact CD2-CD1 3.69Å
144	G	48.2	Very low	56.5	Low	2 Å²	2	76.7 Å²	76.7	2%	0.021	41%	0.413	C	S	.	.	H	α-helix	trans	-60.7	-52.8	-173.7	0	0	0	0	0	114.3	M140 K146 L147 V148	M140-G144 VanDerWaalsContact O-CA 3.31Å; M140-G144 WeakPolarHBondContact O-CA 3.3Å; M140-G144 PolarHBondContact O-N 2.95Å; G144-K146 PolarHBondContact O-N 2.98Å; G144-L147 PolarHBondContact O-N 3.1Å; G144-V148 WeakPolarHBondContact O-CG2 3.45Å; G144-V148 PolarHBondContact O-N 3.37Å
145	P	45.8	Very low	54.4	Low	70 Å²	70	79.2 Å²	79.2	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-64.9	-22.3	178.8	-22	33.6	0	0	0	113.8	T141 S149	T141-P145 WeakPolarHBondContact O-CD 3.46Å; T141-P145 WeakPolarHBondContact O-CG 3.43Å; P145-S149 PolarHBondContact O-OG 3.19Å
146	K	42.3	Very low	52	Low	162 Å²	162	87.1 Å²	87.1	70%	0.704	47%	0.472	S	S	*	.	H	α-helix	trans	-82.9	-10.2	179.7	-70.9	-150.2	175.9	-171.9	0	114.3	L143 G144	L143-K146 PolarHBondContact O-N 2.82Å; G144-K146 PolarHBondContact O-N 2.98Å
147	L	41.5	Very low	50.1	Low	75 Å²	75	88.3 Å²	88.3	39%	0.393	48%	0.481	S	S	.	.	H	α-helix	trans	-100.1	-23.8	173.9	-62.7	172.2	0	0	0	112.2	I83 L143 G144	I83-L147 HydrophobicContact CD1-CD1 3.95Å; I83-L147 HydrophobicContact CG1-CD1 4.44Å; L143-L147 PolarHBondContact O-N 2.87Å; G144-L147 PolarHBondContact O-N 3.1Å
148	V	39.4	Very low	48.2	Very low	56 Å²	56	84.8 Å²	84.8	34%	0.339	47%	0.469	S	S	.	.	H	α-helix	trans	-87.4	-10.4	-174.6	180	0	0	0	0	113.9	I75 G144 S150	I75-V148 HydrophobicContact CG1-CG2 4.38Å; G144-V148 WeakPolarHBondContact O-CG2 3.45Å; G144-V148 PolarHBondContact O-N 3.37Å; V148-S150 PolarHBondContact O-N 3.27Å; V148-S150 VanDerWaalsContact O-N 3.1Å
149	S	40.8	Very low	46.4	Very low	97 Å²	97	89.1 Å²	89.1	68%	0.678	49%	0.493	S	S	*	.			trans	-88.6	65.2	-176.1	-63.9	0	0	0	0	113.8	P145	P145-S149 PolarHBondContact O-OG 3.19Å
150	S	43	Very low	44.9	Very low	98 Å²	98	92.5 Å²	92.5	69%	0.685	52%	0.515	S	S	*	.			trans	-86.2	-10.4	171.4	-168.7	0	0	0	0	114.2	V148	V148-S150 PolarHBondContact O-N 3.27Å; V148-S150 VanDerWaalsContact O-N 3.1Å
151	E	39.9	Very low	43.5	Very low	195 Å²	195	94.5 Å²	94.5	91%	0.911	53%	0.525	S	S	*	.	S	Bend	trans	-122.1	88.6	-179.6	-69.1	-161.1	141.2	0	0	113.7
152	G	47.8	Very low	42.3	Very low	65 Å²	65	94.4 Å²	94.4	67%	0.67	52%	0.523	S	S	*	.			trans	90.7	96.9	145.4	0	0	0	0	0	116.8
153	R	33.6	Very low	41.1	Very low	237 Å²	237	95.2 Å²	95.2	89%	0.894	53%	0.532	S	S	*	.			trans	-177.1	136.3	132.4	-99.2	161.6	-163.9	-159.5	7	110.6	G155	R153-G155 VanDerWaalsContact C-N 3.26Å; R153-G155 PolarHBondContact O-N 2.9Å
154	D	41.3	Very low	40.2	Very low	155 Å²	155	97.7 Å²	97.7	83%	0.829	55%	0.545	S	S	*	.			trans	-58.5	78.5	170.9	-69	-53.8	0	0	0	112.6
155	G	35.9	Very low	39.7	Very low	55 Å²	55	100.9 Å²	100.9	57%	0.567	56%	0.559	S	S	*	*			trans	-120.7	79.9	175.9	0	0	0	0	0	111.1	R153 L157	R153-G155 VanDerWaalsContact C-N 3.26Å; R153-G155 PolarHBondContact O-N 2.9Å; G155-L157 VanDerWaalsContact C-N 3.27Å; G155-L157 PolarHBondContact O-N 2.92Å
156	F	37.2	Very low	39.4	Very low	205 Å²	205	104.7 Å²	104.7	90%	0.899	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.1	-34.7	166.3	-157.6	-111.4	0	0	0	121.2
157	L	40.9	Very low	39	Very low	74 Å²	74	104.3 Å²	104.3	39%	0.387	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.8	1.5	-176.8	-79.9	157.9	0	0	0	114.9	G155 N159 I161 F243 V247	G155-L157 VanDerWaalsContact C-N 3.27Å; G155-L157 PolarHBondContact O-N 2.92Å; L157-N159 PolarHBondContact O-N 3.48Å; L157-I161 HydrophobicContact CB-CD1 4.47Å; L157-I161 HydrophobicContact CD2-CD1 4.05Å; L157-F243 HydrophobicContact CD1-CZ 4.24Å; L157-V247 HydrophobicContact CD1-CG2 4.31Å
158	G	38.3	Very low	38.8	Very low	33 Å²	33	105.7 Å²	105.7	34%	0.34	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.3	-19.1	-171.1	0	0	0	0	0	117.3
159	N	38.7	Very low	38.6	Very low	103 Å²	103	107.4 Å²	107.4	55%	0.551	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-27.1	-173.3	-56.8	-13.7	0	0	0	113	L157 S163	L157-N159 PolarHBondContact O-N 3.48Å; N159-S163 WeakPolarHBondContact O-CB 3.26Å; N159-S163 PolarHBondContact O-OG 3.46Å
160	T	39.3	Very low	38.5	Very low	90 Å²	90	106.6 Å²	106.6	55%	0.552	56%	0.561	S	S	*	*	H	α-helix	trans	-82.6	-35.5	-176.8	-52.4	0	0	0	0	111.6	I164	T160-I164 HydrophobicContact CG2-CD1 3.67Å; T160-I164 WeakPolarHBondContact O-CB 3.2Å; T160-I164 VanDerWaalsContact O-CD1 3.3Å; T160-I164 WeakPolarHBondContact O-CD1 3.39Å; T160-I164 WeakPolarHBondContact O-CG1 3.48Å; T160-I164 PolarHBondContact O-N 3.44Å
161	I	40	Very low	38.2	Very low	57 Å²	57	110 Å²	110	29%	0.292	57%	0.566	S	S	.	*	H	α-helix	trans	-83.7	-42.5	-174.4	-61.9	-176.1	0	0	0	111.1	L157 S163 I164 F165 F243	L157-I161 HydrophobicContact CB-CD1 4.47Å; L157-I161 HydrophobicContact CD2-CD1 4.05Å; I161-S163 PolarHBondContact O-N 3.49Å; I161-I164 PolarHBondContact O-N 3.43Å; I161-I164 VanDerWaalsContact O-N 3.15Å; I161-F165 HydrophobicContact CG2-CB 4.27Å; I161-F165 VanDerWaalsContact O-CB 3.22Å; I161-F165 WeakPolarHBondContact O-CB 3.4Å; I161-F165 PolarHBondContact O-N 3.21Å; I161-F243 HydrophobicContact CD1-CD2 4.44Å; I161-F243 HydrophobicContact CD1-CE1 4.01Å; I161-F243 HydrophobicContact CD1-CE2 3.44Å; I161-F243 VanDerWaalsContact CD1-CE2 3.44Å; I161-F243 HydrophobicContact CD1-CZ 3.17Å
162	D	39.2	Very low	38.2	Very low	66 Å²	66	110.2 Å²	110.2	35%	0.353	56%	0.559	S	S	.	*	H	α-helix	trans	-58.7	-39.5	174.4	-86	-58.6	0	0	0	111.9	W166	D162-W166 WeakPolarHBondContact O-CB 3.44Å; D162-W166 PolarHBondContact O-N 3.07Å; D162-W166 PolarHBondContact OD1-NE1 3.36Å; D162-W166 VanDerWaalsContact OD1-NE1 3.08Å
163	S	36	Very low	38.3	Very low	66 Å²	66	108.3 Å²	108.3	46%	0.462	53%	0.533	S	S	.	.	H	α-helix	trans	-75.1	-21.3	179.4	-54.9	0	0	0	0	114.2	N159 I161 Q167	N159-S163 WeakPolarHBondContact O-CB 3.26Å; N159-S163 PolarHBondContact O-OG 3.46Å; I161-S163 PolarHBondContact O-N 3.49Å; S163-Q167 WeakPolarHBondContact O-CB 3.14Å; S163-Q167 PolarHBondContact O-OE1 3.38Å; S163-Q167 VanDerWaalsContact O-OE1 3.07Å
164	I	35.8	Very low	39.2	Very low	90 Å²	90	100.1 Å²	100.1	46%	0.462	51%	0.51	S	S	.	.	H	α-helix	trans	-100.8	-35.2	-178.1	-67	172.8	0	0	0	111.3	T160 I161	T160-I164 HydrophobicContact CG2-CD1 3.67Å; T160-I164 WeakPolarHBondContact O-CB 3.2Å; T160-I164 VanDerWaalsContact O-CD1 3.3Å; T160-I164 WeakPolarHBondContact O-CD1 3.39Å; T160-I164 WeakPolarHBondContact O-CG1 3.48Å; T160-I164 PolarHBondContact O-N 3.44Å; I161-I164 PolarHBondContact O-N 3.43Å; I161-I164 VanDerWaalsContact O-N 3.15Å
165	F	37.8	Very low	39.7	Very low	70 Å²	70	95 Å²	95	31%	0.307	48%	0.482	S	S	.	.	H	α-helix	trans	-88.3	-36.1	-174.1	-137.3	-101.5	0	0	0	112.4	I161 F239	I161-F165 HydrophobicContact CG2-CB 4.27Å; I161-F165 VanDerWaalsContact O-CB 3.22Å; I161-F165 WeakPolarHBondContact O-CB 3.4Å; I161-F165 PolarHBondContact O-N 3.21Å; F165-F239 AromaticContact CE2-CD1 3.69Å; F165-F239 HydrophobicContact CE2-CD1 3.69Å; F165-F239 AromaticContact CE2-CE1 3.69Å; F165-F239 HydrophobicContact CE2-CE1 3.69Å; F165-F239 AromaticContact CZ-CD1 3.96Å; F165-F239 HydrophobicContact CZ-CD1 3.96Å; F165-F239 HydrophobicContact CZ-CE1 4.41Å
166	W	38.2	Very low	40.5	Very low	150 Å²	150	98.3 Å²	98.3	57%	0.568	48%	0.483	S	S	*	.	S	Bend	trans	-98.2	-12.4	179.2	-56.7	114.8	0	0	0	114.9	D162 F168	D162-W166 WeakPolarHBondContact O-CB 3.44Å; D162-W166 PolarHBondContact O-N 3.07Å; D162-W166 PolarHBondContact OD1-NE1 3.36Å; D162-W166 VanDerWaalsContact OD1-NE1 3.08Å; W166-F168 VanDerWaalsContact C-N 3.34Å
167	Q	34.5	Very low	41.1	Very low	154 Å²	154	92.7 Å²	92.7	72%	0.72	46%	0.459	S	S	*	.	S	Bend	trans	-78.2	-20.9	175	-165.3	175.5	20.9	0	0	112.5	S163	S163-Q167 WeakPolarHBondContact O-CB 3.14Å; S163-Q167 PolarHBondContact O-OE1 3.38Å; S163-Q167 VanDerWaalsContact O-OE1 3.07Å
168	F	37.3	Very low	41.8	Very low	104 Å²	104	90.4 Å²	90.4	46%	0.456	45%	0.447	S	S	.	.	S	Bend	trans	-96.5	101.4	176.2	-81.5	-90.4	0	0	0	109.9	W166 M170 I173	W166-F168 VanDerWaalsContact C-N 3.34Å; F168-M170 PolarHBondContact O-N 3.29Å; F168-I173 HydrophobicContact CB-CD1 4.15Å; F168-I173 HydrophobicContact CD1-CD1 4.37Å; F168-I173 HydrophobicContact CG-CD1 4.45Å
169	D	35.8	Very low	42.6	Very low	91 Å²	91	90.5 Å²	90.5	49%	0.487	44%	0.438	S	S	.	.			trans	-38.9	99.4	171	-157.5	-23.8	0	0	0	111.1	Q171 R172 I173	D169-Q171 PolarHBondContact O-N 3.42Å; D169-R172 HydrophobicContact CB-CB 4.33Å; D169-R172 HydrophobicContact CB-CG 4.27Å; D169-R172 PolarHBondContact O-N 2.8Å; D169-R172 WeakPolarHBondContact OD2-CD 3.31Å; D169-I173 PolarHBondContact O-N 2.86Å
170	M	38.9	Very low	43.3	Very low	80 Å²	80	91.7 Å²	91.7	39%	0.394	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13	-168.6	-152.3	157.3	73.1	0	0	112.6	F168 I236	F168-M170 PolarHBondContact O-N 3.29Å; M170-I236 HydrophobicContact CE-CD1 4.24Å; M170-I236 HydrophobicContact CG-CD1 3.96Å; M170-I236 HydrophobicContact SD-CD1 3.74Å
171	Q	36.8	Very low	44	Very low	170 Å²	170	89.9 Å²	89.9	79%	0.794	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-20.4	172.1	-70.4	-172.2	-16.6	0	0	114	D169	D169-Q171 PolarHBondContact O-N 3.42Å
172	R	39.2	Very low	44.6	Very low	199 Å²	199	88.1 Å²	88.1	75%	0.751	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-12.3	-172	-56.6	-175.5	104.8	-173	6.7	114.2	D169	D169-R172 HydrophobicContact CB-CB 4.33Å; D169-R172 HydrophobicContact CB-CG 4.27Å; D169-R172 PolarHBondContact O-N 2.8Å; D169-R172 WeakPolarHBondContact OD2-CD 3.31Å
173	I	48.5	Very low	45.4	Very low	25 Å²	25	88.2 Å²	88.2	13%	0.128	41%	0.413	C	S	.	.			trans	-70.4	130.9	-179.6	-150.9	168.6	0	0	0	111.5	F168 D169 E177 I181	F168-I173 HydrophobicContact CB-CD1 4.15Å; F168-I173 HydrophobicContact CD1-CD1 4.37Å; F168-I173 HydrophobicContact CG-CD1 4.45Å; D169-I173 PolarHBondContact O-N 2.86Å; I173-E177 HydrophobicContact CD1-CB 4.37Å; I173-E177 HydrophobicContact CG1-CB 3.74Å; I173-I181 HydrophobicContact CD1-CD1 3.66Å
174	T	52.7	Low	46.1	Very low	66 Å²	66	91.8 Å²	91.8	41%	0.405	42%	0.423	S	S	.	.			trans	-84.1	158.9	-179.4	60	0	0	0	0	111.5	E176 E177 L178	T174-E176 PolarHBondContact O-N 2.84Å; T174-E177 PolarHBondContact N-OE2 2.84Å; T174-E177 PolarHBondContact O-N 3.42Å; T174-E177 VanDerWaalsContact O-N 3.16Å; T174-E177 VanDerWaalsContact OG1-CD 3.24Å; T174-E177 VanDerWaalsContact OG1-CG 3.27Å; T174-E177 WeakPolarHBondContact OG1-CG 3.29Å; T174-E177 PolarHBondContact OG1-OE2 2.63Å; T174-L178 PolarHBondContact O-N 3.25Å
175	L	52.1	Low	46.7	Very low	47 Å²	47	90.3 Å²	90.3	25%	0.246	42%	0.424	C	S	.	.	H	α-helix	trans	-60.4	-36.2	180	-173.6	70.1	0	0	0	111.4	L178 K179 I199	L175-L178 PolarHBondContact O-N 2.97Å; L175-K179 WeakPolarHBondContact O-CB 3.37Å; L175-K179 PolarHBondContact O-N 3.41Å; L175-I199 HydrophobicContact CD1-CD1 4.38Å; L175-I199 HydrophobicContact CD2-CG2 4.35Å
176	E	52.3	Low	47.2	Very low	125 Å²	125	88 Å²	88	58%	0.584	41%	0.414	S	S	*	.	H	α-helix	trans	-63.2	-42.1	174.7	-79.4	64.6	-144.3	0	0	112.8	T174 K179 H180	T174-E176 PolarHBondContact O-N 2.84Å; E176-K179 WeakPolarHBondContact O-CB 3.2Å; E176-K179 PolarHBondContact O-N 2.96Å; E176-H180 PolarHBondContact O-N 3.3Å
177	E	51.6	Low	47.7	Very low	87 Å²	87	88.1 Å²	88.1	41%	0.407	41%	0.414	S	S	.	.	H	α-helix	trans	-67.7	-41.3	177	-73.1	167.3	145.3	0	0	111	I173 T174 H180 I181	I173-E177 HydrophobicContact CD1-CB 4.37Å; I173-E177 HydrophobicContact CG1-CB 3.74Å; T174-E177 PolarHBondContact N-OE2 2.84Å; T174-E177 PolarHBondContact O-N 3.42Å; T174-E177 VanDerWaalsContact O-N 3.16Å; T174-E177 VanDerWaalsContact OG1-CD 3.24Å; T174-E177 VanDerWaalsContact OG1-CG 3.27Å; T174-E177 WeakPolarHBondContact OG1-CG 3.29Å; T174-E177 PolarHBondContact OG1-OE2 2.63Å; E177-H180 PolarHBondContact O-N 3.21Å; E177-I181 VanDerWaalsContact O-CG1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.34Å; E177-I181 PolarHBondContact O-N 2.67Å
178	L	55.2	Low	48.2	Very low	25 Å²	25	88 Å²	88	13%	0.131	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-44.2	174.1	-176.8	60.1	0	0	0	111.8	T174 L175 H180 I181 L182 L235	T174-L178 PolarHBondContact O-N 3.25Å; L175-L178 PolarHBondContact O-N 2.97Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 2.7Å; L178-I181 PolarHBondContact O-N 3.26Å; L178-L182 HydrophobicContact CD1-CD1 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 PolarHBondContact O-N 2.88Å; L178-L235 HydrophobicContact CD2-CB 4.47Å; L178-L235 HydrophobicContact CD2-CD2 3.6Å; L178-L235 HydrophobicContact CG-CD2 4Å
179	K	55.6	Low	48.5	Very low	36 Å²	36	89.9 Å²	89.9	16%	0.157	43%	0.428	C	S	.	.	H	α-helix	trans	-55	-44.7	172.7	-108.4	-175.1	175.6	-176	0	111.8	L175 E176 Y183 I195 E196 I199	L175-K179 WeakPolarHBondContact O-CB 3.37Å; L175-K179 PolarHBondContact O-N 3.41Å; E176-K179 WeakPolarHBondContact O-CB 3.2Å; E176-K179 PolarHBondContact O-N 2.96Å; K179-Y183 WeakPolarHBondContact O-CB 3.07Å; K179-Y183 PolarHBondContact O-N 2.83Å; K179-I195 HydrophobicContact CG-CG2 3.79Å; K179-E196 IonicContact NZ-OE1 2.72Å; K179-E196 PolarHBondContact NZ-OE1 3.4Å; K179-I199 HydrophobicContact CD-CD1 4.08Å; K179-I199 HydrophobicContact CG-CD1 3.72Å
180	H	53.5	Low	49.4	Very low	127 Å²	127	87.5 Å²	87.5	59%	0.588	42%	0.415	S	S	*	.	H	α-helix	trans	-70.4	-38.5	-178.1	-116.7	-91.8	0	0	0	112.5	E176 E177 L178 H184	E176-H180 PolarHBondContact O-N 3.3Å; E177-H180 PolarHBondContact O-N 3.21Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 2.7Å; H180-H184 WeakPolarHBondContact O-CB 3.3Å; H180-H184 PolarHBondContact O-N 2.89Å
181	I	53.6	Low	50.3	Low	53 Å²	53	87.4 Å²	87.4	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-45.5	174.6	-70.1	167.4	0	0	0	110.3	I173 E177 L178 Y183 H184 A185	I173-I181 HydrophobicContact CD1-CD1 3.66Å; E177-I181 VanDerWaalsContact O-CG1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.34Å; E177-I181 PolarHBondContact O-N 2.67Å; L178-I181 PolarHBondContact O-N 3.26Å; I181-Y183 PolarHBondContact O-N 3.28Å; I181-H184 PolarHBondContact O-N 3.19Å; I181-A185 VanDerWaalsContact O-CB 3.23Å; I181-A185 WeakPolarHBondContact O-CB 3.2Å; I181-A185 PolarHBondContact O-N 3.1Å
182	L	51.6	Low	51.2	Low	19 Å²	19	82.3 Å²	82.3	10%	0.099	40%	0.396	C	S	.	.	H	α-helix	trans	-56.8	-49.6	174.6	-99.2	146	0	0	0	112.4	L178 H184 A185 F186 I195 L235 F239	L178-L182 HydrophobicContact CD1-CD1 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 PolarHBondContact O-N 2.88Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.29Å; L182-A185 PolarHBondContact O-N 2.66Å; L182-F186 HydrophobicContact CD2-CD2 4.42Å; L182-F186 PolarHBondContact O-N 3.17Å; L182-I195 HydrophobicContact CB-CD1 4.05Å; L182-I195 HydrophobicContact CB-CG2 4.37Å; L182-I195 HydrophobicContact CD1-CG2 4.45Å; L182-L235 HydrophobicContact CD1-CD2 3.49Å; L182-L235 VanDerWaalsContact CD1-CD2 3.49Å; L182-L235 HydrophobicContact CD1-CG 4.26Å; L182-F239 HydrophobicContact CB-CE2 4.37Å; L182-F239 HydrophobicContact CD2-CD2 3.5Å; L182-F239 HydrophobicContact CD2-CE2 3.59Å; L182-F239 HydrophobicContact CG-CD2 3.72Å; L182-F239 HydrophobicContact CG-CE2 3.55Å
183	Y	55.7	Low	52	Low	68 Å²	68	79.7 Å²	79.7	27%	0.267	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-37.2	178.7	179.5	-103.4	0	0	0	112.4	K179 I181 R187 M192 I195	K179-Y183 WeakPolarHBondContact O-CB 3.07Å; K179-Y183 PolarHBondContact O-N 2.83Å; I181-Y183 PolarHBondContact O-N 3.28Å; Y183-R187 HydrophobicContact CE1-CG 4.13Å; Y183-R187 HydrophobicContact CE2-CG 4.31Å; Y183-R187 WeakPolarHBondContact O-CA 3.31Å; Y183-R187 WeakPolarHBondContact O-CB 3.23Å; Y183-R187 WeakPolarHBondContact O-CG 3.23Å; Y183-R187 PolarHBondContact O-N 3.49Å; Y183-M192 HydrophobicContact CD1-CE 4.5Å; Y183-M192 HydrophobicContact CD1-SD 4.05Å; Y183-M192 HydrophobicContact CD2-CB 4.06Å; Y183-M192 HydrophobicContact CD2-CG 4.39Å; Y183-M192 HydrophobicContact CD2-SD 3.72Å; Y183-M192 HydrophobicContact CE1-SD 4.4Å; Y183-M192 HydrophobicContact CE2-CB 4.13Å; Y183-M192 HydrophobicContact CE2-SD 4.1Å; Y183-M192 HydrophobicContact CG-CE 4.05Å; Y183-M192 HydrophobicContact CG-SD 3.7Å; Y183-I195 HydrophobicContact CD2-CD1 4.27Å
184	H	51.3	Low	52.3	Low	141 Å²	141	81.6 Å²	81.6	65%	0.653	40%	0.401	S	S	*	.	H	α-helix	trans	-77.7	-36.2	-179.8	-165.2	-77.5	0	0	0	112.7	H180 I181 L182	H180-H184 WeakPolarHBondContact O-CB 3.3Å; H180-H184 PolarHBondContact O-N 2.89Å; I181-H184 PolarHBondContact O-N 3.19Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.29Å
185	A	48	Very low	52.4	Low	59 Å²	59	78.6 Å²	78.6	49%	0.488	38%	0.382	S	S	.	.	H	α-helix	trans	-74.3	-33.4	180	0	0	0	0	0	112.8	I181 L182 F239	I181-A185 VanDerWaalsContact O-CB 3.23Å; I181-A185 WeakPolarHBondContact O-CB 3.2Å; I181-A185 PolarHBondContact O-N 3.1Å; L182-A185 PolarHBondContact O-N 2.66Å; A185-F239 HydrophobicContact CB-CE2 4.41Å; A185-F239 HydrophobicContact CB-CZ 3.77Å
186	F	48.9	Very low	52.6	Low	22 Å²	22	80.2 Å²	80.2	10%	0.096	39%	0.389	C	S	.	.	S	Bend	trans	-119.3	27.3	-174.4	-69	-75.8	0	0	0	113.4	L182 D188 H189 L190 F239 A242	L182-F186 HydrophobicContact CD2-CD2 4.42Å; L182-F186 PolarHBondContact O-N 3.17Å; F186-D188 PolarHBondContact O-N 2.86Å; F186-H189 PolarHBondContact O-N 3.48Å; F186-L190 HydrophobicContact CB-CB 4.39Å; F186-L190 HydrophobicContact CB-CD1 3.85Å; F186-L190 HydrophobicContact CG-CD1 4.28Å; F186-L190 PolarHBondContact O-N 3.46Å; F186-F239 HydrophobicContact CD2-CD2 4.16Å; F186-F239 AromaticContact CD2-CE2 3.5Å; F186-F239 HydrophobicContact CD2-CE2 3.5Å; F186-F239 AromaticContact CD2-CZ 3.88Å; F186-F239 HydrophobicContact CD2-CZ 3.88Å; F186-F239 HydrophobicContact CE2-CD1 4.26Å; F186-F239 AromaticContact CE2-CD2 3.6Å; F186-F239 HydrophobicContact CE2-CD2 3.6Å; F186-F239 AromaticContact CE2-CE1 3.87Å; F186-F239 HydrophobicContact CE2-CE1 3.87Å; F186-F239 AromaticContact CE2-CE2 3.17Å; F186-F239 HydrophobicContact CE2-CE2 3.17Å; F186-F239 HydrophobicContact CE2-CG 4.15Å; F186-F239 AromaticContact CE2-CZ 3.33Å; F186-F239 HydrophobicContact CE2-CZ 3.33Å; F186-F239 HydrophobicContact CZ-CE2 4.4Å; F186-F239 HydrophobicContact CZ-CZ 4.37Å; F186-A242 HydrophobicContact CZ-CB 4.28Å
187	R	49.2	Very low	52.7	Low	153 Å²	153	78.2 Å²	78.2	58%	0.577	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.6	-171.9	-152.3	172.6	161.5	-168.2	-8.8	115	Y183	Y183-R187 HydrophobicContact CE1-CG 4.13Å; Y183-R187 HydrophobicContact CE2-CG 4.31Å; Y183-R187 WeakPolarHBondContact O-CA 3.31Å; Y183-R187 WeakPolarHBondContact O-CB 3.23Å; Y183-R187 WeakPolarHBondContact O-CG 3.23Å; Y183-R187 PolarHBondContact O-N 3.49Å
188	D	43.9	Very low	52.9	Low	151 Å²	151	76.4 Å²	76.4	81%	0.807	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-8.4	178.5	-61.4	-35.4	0	0	0	113.5	F186	F186-D188 PolarHBondContact O-N 2.86Å
189	H	44.9	Very low	52.8	Low	144 Å²	144	76 Å²	76	67%	0.667	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-26.8	-171	-63.9	-24.6	0	0	0	114	F186	F186-H189 PolarHBondContact O-N 3.48Å
190	L	53.4	Low	52.7	Low	40 Å²	40	78.7 Å²	78.7	21%	0.209	39%	0.388	C	S	.	.			trans	-127.1	130.5	175.8	-78.7	98	0	0	0	110.6	F186 D194 I195 I198	F186-L190 HydrophobicContact CB-CB 4.39Å; F186-L190 HydrophobicContact CB-CD1 3.85Å; F186-L190 HydrophobicContact CG-CD1 4.28Å; F186-L190 PolarHBondContact O-N 3.46Å; L190-D194 HydrophobicContact CD2-CB 4.35Å; L190-I195 HydrophobicContact CB-CG1 4.22Å; L190-I195 HydrophobicContact CD2-CG1 4.17Å; L190-I198 HydrophobicContact CD2-CD1 3.76Å
191	T	57.3	Low	52.6	Low	78 Å²	78	77.7 Å²	77.7	48%	0.479	39%	0.386	S	S	.	.			trans	-82.8	158.3	169.6	73.8	0	0	0	0	110.1	K193 D194 I195	T191-K193 PolarHBondContact O-N 3.37Å; T191-D194 VanDerWaalsContact CB-OD2 3.31Å; T191-D194 WeakPolarHBondContact CB-OD2 3.27Å; T191-D194 PolarHBondContact N-OD2 3.17Å; T191-D194 WeakPolarHBondContact O-CB 3.45Å; T191-D194 PolarHBondContact O-N 2.98Å; T191-D194 VanDerWaalsContact OG1-CG 3.23Å; T191-D194 PolarHBondContact OG1-N 3.32Å; T191-D194 PolarHBondContact OG1-OD2 3.41Å; T191-I195 PolarHBondContact O-N 2.83Å
192	M	56.9	Low	52.5	Low	64 Å²	64	77.2 Å²	77.2	32%	0.315	38%	0.383	S	S	.	.	H	α-helix	trans	-50.9	-36.1	176.8	-153.2	110.2	-145.9	0	0	111.4	Y183 I195 E196	Y183-M192 HydrophobicContact CD1-CE 4.5Å; Y183-M192 HydrophobicContact CD1-SD 4.05Å; Y183-M192 HydrophobicContact CD2-CB 4.06Å; Y183-M192 HydrophobicContact CD2-CG 4.39Å; Y183-M192 HydrophobicContact CD2-SD 3.72Å; Y183-M192 HydrophobicContact CE1-SD 4.4Å; Y183-M192 HydrophobicContact CE2-CB 4.13Å; Y183-M192 HydrophobicContact CE2-SD 4.1Å; Y183-M192 HydrophobicContact CG-CE 4.05Å; Y183-M192 HydrophobicContact CG-SD 3.7Å; M192-I195 WeakPolarHBondContact O-CB 3.45Å; M192-I195 PolarHBondContact O-N 3.37Å; M192-E196 WeakPolarHBondContact O-CG 3.34Å; M192-E196 PolarHBondContact O-N 2.98Å
193	K	56.5	Low	52.5	Low	143 Å²	143	82.3 Å²	82.3	62%	0.622	41%	0.407	S	S	*	.	H	α-helix	trans	-70.8	-33.9	-178.9	-159	166.8	-174.3	171.6	0	113.3	T191 I195 E196 N197	T191-K193 PolarHBondContact O-N 3.37Å; K193-I195 VanDerWaalsContact C-N 3.32Å; K193-E196 PolarHBondContact O-N 2.92Å; K193-N197 WeakPolarHBondContact O-CB 3.41Å; K193-N197 PolarHBondContact O-N 2.81Å; K193-N197 PolarHBondContact O-ND2 3.42Å
194	D	54.3	Low	52.2	Low	65 Å²	65	84.9 Å²	84.9	35%	0.348	42%	0.421	S	S	.	.	H	α-helix	trans	-68.3	-38.6	174.6	-55.9	-46.4	0	0	0	110.3	L190 T191 E196 N197 I198	L190-D194 HydrophobicContact CD2-CB 4.35Å; T191-D194 VanDerWaalsContact CB-OD2 3.31Å; T191-D194 WeakPolarHBondContact CB-OD2 3.27Å; T191-D194 PolarHBondContact N-OD2 3.17Å; T191-D194 WeakPolarHBondContact O-CB 3.45Å; T191-D194 PolarHBondContact O-N 2.98Å; T191-D194 VanDerWaalsContact OG1-CG 3.23Å; T191-D194 PolarHBondContact OG1-N 3.32Å; T191-D194 PolarHBondContact OG1-OD2 3.41Å; D194-E196 PolarHBondContact O-N 2.81Å; D194-N197 PolarHBondContact O-N 2.89Å; D194-I198 WeakPolarHBondContact O-CD1 3.35Å; D194-I198 VanDerWaalsContact O-CG1 3.23Å; D194-I198 WeakPolarHBondContact O-CG1 3.31Å; D194-I198 PolarHBondContact O-N 2.9Å
195	I	54.4	Low	51.9	Low	4 Å²	4	81.4 Å²	81.4	2%	0.021	41%	0.413	C	S	.	.	H	α-helix	trans	-64.5	-40.6	174.8	-56.7	165.3	0	0	0	110.6	K179 L182 Y183 L190 T191 M192 K193 I199	K179-I195 HydrophobicContact CG-CG2 3.79Å; L182-I195 HydrophobicContact CB-CD1 4.05Å; L182-I195 HydrophobicContact CB-CG2 4.37Å; L182-I195 HydrophobicContact CD1-CG2 4.45Å; Y183-I195 HydrophobicContact CD2-CD1 4.27Å; L190-I195 HydrophobicContact CB-CG1 4.22Å; L190-I195 HydrophobicContact CD2-CG1 4.17Å; T191-I195 PolarHBondContact O-N 2.83Å; M192-I195 WeakPolarHBondContact O-CB 3.45Å; M192-I195 PolarHBondContact O-N 3.37Å; K193-I195 VanDerWaalsContact C-N 3.32Å; I195-I199 HydrophobicContact CG2-CD1 4.19Å; I195-I199 WeakPolarHBondContact O-CD1 3.4Å; I195-I199 VanDerWaalsContact O-CG1 3.29Å; I195-I199 WeakPolarHBondContact O-CG1 3.46Å; I195-I199 PolarHBondContact O-N 3.07Å
196	E	55.5	Low	51.8	Low	81 Å²	81	81 Å²	81	38%	0.379	40%	0.402	S	S	.	.	H	α-helix	trans	-67.9	-39.2	175.1	-40.7	-155.7	117.7	0	0	112.2	K179 M192 K193 D194 I199 I200	K179-E196 IonicContact NZ-OE1 2.72Å; K179-E196 PolarHBondContact NZ-OE1 3.4Å; M192-E196 WeakPolarHBondContact O-CG 3.34Å; M192-E196 PolarHBondContact O-N 2.98Å; K193-E196 PolarHBondContact O-N 2.92Å; D194-E196 PolarHBondContact O-N 2.81Å; E196-I199 PolarHBondContact O-N 3.04Å; E196-I200 WeakPolarHBondContact O-CB 3.19Å; E196-I200 WeakPolarHBondContact O-CD1 3.42Å; E196-I200 VanDerWaalsContact O-CG1 3.22Å; E196-I200 WeakPolarHBondContact O-CG1 3.32Å; E196-I200 PolarHBondContact O-N 3.13Å
197	N	55.3	Low	51.7	Low	83 Å²	83	84.9 Å²	84.9	44%	0.444	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-42	178.2	-74	-17	0	0	0	111.6	K193 D194 I199 I200 N201	K193-N197 WeakPolarHBondContact O-CB 3.41Å; K193-N197 PolarHBondContact O-N 2.81Å; K193-N197 PolarHBondContact O-ND2 3.42Å; D194-N197 PolarHBondContact O-N 2.89Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 3.27Å; N197-I200 PolarHBondContact O-N 2.9Å; N197-N201 WeakPolarHBondContact O-CB 3.44Å; N197-N201 PolarHBondContact O-N 2.8Å
198	I	55.3	Low	51.5	Low	48 Å²	48	85.3 Å²	85.3	25%	0.246	43%	0.432	C	S	.	.	H	α-helix	trans	-58.3	-44.9	175.4	-68.8	162.3	0	0	0	110.3	L190 D194 N201 E202 L235	L190-I198 HydrophobicContact CD2-CD1 3.76Å; D194-I198 WeakPolarHBondContact O-CD1 3.35Å; D194-I198 VanDerWaalsContact O-CG1 3.23Å; D194-I198 WeakPolarHBondContact O-CG1 3.31Å; D194-I198 PolarHBondContact O-N 2.9Å; I198-N201 PolarHBondContact O-N 2.95Å; I198-E202 PolarHBondContact O-N 3.32Å; I198-E202 VanDerWaalsContact O-N 3.13Å; I198-L235 HydrophobicContact CG2-CD1 3.99Å
199	I	54.6	Low	51.6	Low	17 Å²	17	83.8 Å²	83.8	9%	0.087	43%	0.428	C	S	.	.	H	α-helix	trans	-64.4	-43.6	178.7	-67.6	164.7	0	0	0	111.5	L175 K179 I195 E196 N197 E203	L175-I199 HydrophobicContact CD1-CD1 4.38Å; L175-I199 HydrophobicContact CD2-CG2 4.35Å; K179-I199 HydrophobicContact CD-CD1 4.08Å; K179-I199 HydrophobicContact CG-CD1 3.72Å; I195-I199 HydrophobicContact CG2-CD1 4.19Å; I195-I199 WeakPolarHBondContact O-CD1 3.4Å; I195-I199 VanDerWaalsContact O-CG1 3.29Å; I195-I199 WeakPolarHBondContact O-CG1 3.46Å; I195-I199 PolarHBondContact O-N 3.07Å; E196-I199 PolarHBondContact O-N 3.04Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 3.27Å; I199-E203 WeakPolarHBondContact O-CB 3.44Å; I199-E203 PolarHBondContact O-N 2.67Å; I199-E203 VanDerWaalsContact O-N 3.07Å
200	I	53.3	Low	51.5	Low	93 Å²	93	80 Å²	80	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-67.7	-40.8	179.7	-69.8	164.2	0	0	0	111.3	E196 N197 E202 E203 E204	E196-I200 WeakPolarHBondContact O-CB 3.19Å; E196-I200 WeakPolarHBondContact O-CD1 3.42Å; E196-I200 VanDerWaalsContact O-CG1 3.22Å; E196-I200 WeakPolarHBondContact O-CG1 3.32Å; E196-I200 PolarHBondContact O-N 3.13Å; N197-I200 PolarHBondContact O-N 2.9Å; I200-E202 PolarHBondContact O-N 3.16Å; I200-E203 PolarHBondContact O-N 3.16Å; I200-E204 PolarHBondContact O-N 2.83Å
201	N	49.8	Very low	50.8	Low	105 Å²	105	81.1 Å²	81.1	56%	0.561	44%	0.44	S	S	*	.	H	α-helix	trans	-70	-32.8	-177.2	-145.8	68.1	0	0	0	111.8	N197 I198 S205	N197-N201 WeakPolarHBondContact O-CB 3.44Å; N197-N201 PolarHBondContact O-N 2.8Å; I198-N201 PolarHBondContact O-N 2.95Å; N201-S205 WeakPolarHBondContact O-CB 3.16Å; N201-S205 PolarHBondContact O-N 3.24Å; N201-S205 PolarHBondContact O-OG 2.96Å
202	E	51.3	Low	50.2	Low	44 Å²	44	84.8 Å²	84.8	21%	0.206	46%	0.456	C	S	.	.	H	α-helix	trans	-71.6	-36.8	168.8	-75.1	-169.4	157	0	0	112.4	I198 I200 E204 S205 L206 S234	I198-E202 PolarHBondContact O-N 3.32Å; I198-E202 VanDerWaalsContact O-N 3.13Å; I200-E202 PolarHBondContact O-N 3.16Å; E202-E204 VanDerWaalsContact C-N 3.35Å; E202-E204 PolarHBondContact O-N 3.01Å; E202-S205 PolarHBondContact O-N 2.66Å; E202-L206 WeakPolarHBondContact O-CG 3.25Å; E202-L206 PolarHBondContact O-N 3.49Å; E202-L206 VanDerWaalsContact O-N 3.13Å; E202-S234 WeakPolarHBondContact OE1-CB 3.21Å; E202-S234 PolarHBondContact OE1-OG 3.49Å
203	E	51.8	Low	49	Very low	126 Å²	126	87.6 Å²	87.6	59%	0.589	48%	0.481	S	S	*	.	H	α-helix	trans	-64.8	-36.9	176.7	-163.5	179.4	160.7	0	0	112.3	I199 I200 N207	I199-E203 WeakPolarHBondContact O-CB 3.44Å; I199-E203 PolarHBondContact O-N 2.67Å; I199-E203 VanDerWaalsContact O-N 3.07Å; I200-E203 PolarHBondContact O-N 3.16Å; E203-N207 PolarHBondContact O-N 2.93Å
204	E	49.8	Very low	48.2	Very low	121 Å²	121	89.9 Å²	89.9	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-71.2	-43.7	175.5	-167.2	171	-154.3	0	0	112.2	I200 E202 L206 N207 E208	I200-E204 PolarHBondContact O-N 2.83Å; E202-E204 VanDerWaalsContact C-N 3.35Å; E202-E204 PolarHBondContact O-N 3.01Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 2.96Å; E204-N207 WeakPolarHBondContact O-CB 3.34Å; E204-N207 PolarHBondContact O-N 3.25Å; E204-E208 PolarHBondContact O-N 3.39Å
205	S	44.7	Very low	47.3	Very low	69 Å²	69	93.3 Å²	93.3	48%	0.483	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-33.8	176.6	-66.4	0	0	0	0	113.1	N201 E202 N207 T209	N201-S205 WeakPolarHBondContact O-CB 3.16Å; N201-S205 PolarHBondContact O-N 3.24Å; N201-S205 PolarHBondContact O-OG 2.96Å; E202-S205 PolarHBondContact O-N 2.66Å; S205-N207 VanDerWaalsContact C-N 3.31Å; S205-T209 PolarHBondContact O-OG1 3Å; S205-T209 VanDerWaalsContact O-OG1 3.1Å
206	L	46.7	Very low	46.9	Very low	50 Å²	50	102.1 Å²	102.1	26%	0.262	56%	0.558	S	S	.	*	H	α-helix	trans	-74.4	-20.7	174.7	-71.4	170.2	0	0	0	113.1	E202 E204 R227 V231	E202-L206 WeakPolarHBondContact O-CG 3.25Å; E202-L206 PolarHBondContact O-N 3.49Å; E202-L206 VanDerWaalsContact O-N 3.13Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 2.96Å; L206-R227 VanDerWaalsContact C-NH2 3.26Å; L206-R227 HydrophobicContact CD1-CG 4.24Å; L206-R227 PolarHBondContact O-NH2 3.45Å; L206-V231 HydrophobicContact CD1-CG2 3.54Å
207	N	45.8	Very low	45.9	Very low	104 Å²	104	108 Å²	108	56%	0.556	58%	0.583	S	S	*	*	H	α-helix	trans	-82.2	-38.1	179.1	-119.6	20.8	0	0	0	112.4	E203 E204 S205 T209 S210 R227	E203-N207 PolarHBondContact O-N 2.93Å; E204-N207 WeakPolarHBondContact O-CB 3.34Å; E204-N207 PolarHBondContact O-N 3.25Å; S205-N207 VanDerWaalsContact C-N 3.31Å; N207-T209 VanDerWaalsContact C-N 3.31Å; N207-T209 PolarHBondContact O-N 2.84Å; N207-S210 PolarHBondContact O-N 3.43Å; N207-R227 PolarHBondContact OD1-NH1 3.32Å; N207-R227 PolarHBondContact OD1-NH2 3.02Å
208	E	45.9	Very low	45.3	Very low	162 Å²	162	112.8 Å²	112.8	76%	0.757	60%	0.602	S	S	*	*	H	α-helix	trans	-65.5	-34.3	175.2	-65.9	-156.6	137.5	0	0	112.4	E204 S210 G211	E204-E208 PolarHBondContact O-N 3.39Å; E208-S210 PolarHBondContact O-N 3.4Å; E208-G211 PolarHBondContact O-N 2.86Å
209	T	45.8	Very low	44.5	Very low	118 Å²	118	113.1 Å²	113.1	72%	0.724	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-68.4	-18.2	178.1	-53.6	0	0	0	0	113.1	S205 N207 G211	S205-T209 PolarHBondContact O-OG1 3Å; S205-T209 VanDerWaalsContact O-OG1 3.1Å; N207-T209 VanDerWaalsContact C-N 3.31Å; N207-T209 PolarHBondContact O-N 2.84Å; T209-G211 VanDerWaalsContact C-N 3.31Å; T209-G211 PolarHBondContact O-N 2.98Å
210	S	43.3	Very low	43.9	Very low	66 Å²	66	119 Å²	119	46%	0.462	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-83	-2.6	178.2	-164.7	0	0	0	0	113.9	N207 E208 N212	N207-S210 PolarHBondContact O-N 3.43Å; E208-S210 PolarHBondContact O-N 3.4Å; S210-N212 PolarHBondContact O-N 3.44Å
211	G	38.9	Very low	43.3	Very low	63 Å²	63	122 Å²	122	65%	0.649	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-77.1	-9.8	-174.4	0	0	0	0	0	116.3	E208 T209	E208-G211 PolarHBondContact O-N 2.86Å; T209-G211 VanDerWaalsContact C-N 3.31Å; T209-G211 PolarHBondContact O-N 2.98Å
212	N	43.3	Very low	42.8	Very low	154 Å²	154	121 Å²	121	82%	0.824	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-121.4	10.4	-165.7	-115.6	72.3	0	0	0	117.8	S210	S210-N212 PolarHBondContact O-N 3.44Å
213	C	32.6	Very low	42.3	Very low	123 Å²	123	125.5 Å²	125.5	83%	0.831	69%	0.688	S	S	*	*			trans	-131.8	89.1	172.6	-75.9	0	0	0	0	111.3
214	Q	40.1	Very low	41.6	Very low	192 Å²	192	127.9 Å²	127.9	90%	0.897	70%	0.696	S	S	*	*			trans	-74.8	114.9	152.2	-79.6	-175.8	-24.2	0	0	108
215	T	34.7	Very low	40.9	Very low	136 Å²	136	128.4 Å²	128.4	83%	0.834	70%	0.699	S	S	*	*			trans	-163.6	137.9	131.7	10.8	0	0	0	0	109.9
216	E	47.1	Very low	40.5	Very low	189 Å²	189	130.5 Å²	130.5	88%	0.883	71%	0.705	S	S	*	*			trans	-64.8	122.8	-166.7	-59.5	158.8	118.4	0	0	112.1
217	F	33.2	Very low	40.2	Very low	205 Å²	205	131.7 Å²	131.7	90%	0.899	71%	0.706	S	S	*	*			trans	-155.9	132.2	143.4	-154.6	-105.3	0	0	0	111.7
218	E	43.4	Very low	39.8	Very low	184 Å²	184	131.2 Å²	131.2	86%	0.86	70%	0.7	S	S	*	*			trans	-66.7	122.1	-173.5	-158.6	171.3	-177.6	0	0	111.2
219	G	38.8	Very low	39.5	Very low	55 Å²	55	126.2 Å²	126.2	57%	0.567	68%	0.681	S	S	*	*			trans	-178.7	56.3	-177.6	0	0	0	0	0	113	H221	G219-H221 PolarHBondContact O-N 3.2Å
220	V	40.9	Very low	39.2	Very low	140 Å²	140	123.9 Å²	123.9	85%	0.848	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	71.4	-178	-174.2	0	0	0	0	110.4
221	H	42.3	Very low	39.2	Very low	155 Å²	155	121.8 Å²	121.8	72%	0.718	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.4	-18.8	158.4	-114.6	-69.9	0	0	0	115.2	G219	G219-H221 PolarHBondContact O-N 3.2Å
222	S	38.8	Very low	39.5	Very low	84 Å²	84	121.1 Å²	121.1	59%	0.587	63%	0.631	S	S	*	*	H	α-helix	trans	-81	-26.3	-173.7	-60.2	0	0	0	0	115.1	N226	S222-N226 WeakPolarHBondContact O-CB 3.18Å; S222-N226 PolarHBondContact O-N 2.85Å
223	Q	39.7	Very low	39.6	Very low	139 Å²	139	120.6 Å²	120.6	65%	0.65	62%	0.621	S	S	*	*	H	α-helix	trans	-77.5	-30.9	-170.2	-145.4	172.9	-1.6	0	0	113.3	R227	Q223-R227 WeakPolarHBondContact O-CB 3.37Å; Q223-R227 PolarHBondContact O-N 3.21Å; Q223-R227 VanDerWaalsContact O-N 3.1Å
224	K	37.8	Very low	40.1	Very low	176 Å²	176	116.9 Å²	116.9	77%	0.765	60%	0.596	S	S	*	*	H	α-helix	trans	-76.6	-40.2	179.6	-128.6	-179.5	-175.1	-176.2	0	112.4	Q228	K224-Q228 WeakPolarHBondContact O-CB 3.22Å; K224-Q228 PolarHBondContact O-N 2.9Å
225	Q	34.8	Very low	40.5	Very low	133 Å²	133	108.2 Å²	108.2	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-65.7	-44.7	174.2	-80.5	-177.9	-9.9	0	0	111	R227 Q228 T229	Q225-R227 PolarHBondContact O-N 3.1Å; Q225-Q228 PolarHBondContact O-N 2.93Å; Q225-T229 PolarHBondContact O-N 3.23Å; Q225-T229 PolarHBondContact O-OG1 2.94Å
226	N	37	Very low	41.2	Very low	113 Å²	113	103.9 Å²	103.9	60%	0.604	53%	0.528	S	S	*	.	H	α-helix	trans	-61.4	-40.9	176.1	-102.9	-24.1	0	0	0	113.1	S222 T229 C230	S222-N226 WeakPolarHBondContact O-CB 3.18Å; S222-N226 PolarHBondContact O-N 2.85Å; N226-T229 WeakPolarHBondContact CA-OG1 3.48Å; N226-T229 PolarHBondContact O-OG1 2.98Å; N226-C230 WeakPolarHBondContact O-CB 3.44Å; N226-C230 PolarHBondContact O-N 2.84Å
227	R	41.1	Very low	41	Very low	74 Å²	74	96.7 Å²	96.7	28%	0.279	50%	0.497	S	S	.	.	H	α-helix	trans	-61.5	-46.5	173.4	-88.3	-172.3	168.5	-176.1	1	111.6	L206 N207 Q223 Q225 T229 C230 V231	L206-R227 VanDerWaalsContact C-NH2 3.26Å; L206-R227 HydrophobicContact CD1-CG 4.24Å; L206-R227 PolarHBondContact O-NH2 3.45Å; N207-R227 PolarHBondContact OD1-NH1 3.32Å; N207-R227 PolarHBondContact OD1-NH2 3.02Å; Q223-R227 WeakPolarHBondContact O-CB 3.37Å; Q223-R227 PolarHBondContact O-N 3.21Å; Q223-R227 VanDerWaalsContact O-N 3.1Å; Q225-R227 PolarHBondContact O-N 3.1Å; R227-T229 VanDerWaalsContact C-N 3.34Å; R227-T229 PolarHBondContact O-N 3.21Å; R227-C230 PolarHBondContact O-N 3.24Å; R227-V231 VanDerWaalsContact O-CG2 3.27Å; R227-V231 WeakPolarHBondContact O-CG2 3.27Å; R227-V231 PolarHBondContact O-N 3.23Å
228	Q	37.1	Very low	41.6	Very low	94 Å²	94	87.7 Å²	87.7	44%	0.439	46%	0.461	S	S	.	.	H	α-helix	trans	-70.5	-28.7	-177.2	-152.3	179	-1.1	0	0	112.8	K224 Q225 R232	K224-Q228 WeakPolarHBondContact O-CB 3.22Å; K224-Q228 PolarHBondContact O-N 2.9Å; Q225-Q228 PolarHBondContact O-N 2.93Å; Q228-R232 VanDerWaalsContact CD-NH2 3.33Å; Q228-R232 VanDerWaalsContact O-CB 3.3Å; Q228-R232 WeakPolarHBondContact O-CB 3.46Å; Q228-R232 WeakPolarHBondContact O-CG 3.02Å; Q228-R232 PolarHBondContact O-N 3.44Å; Q228-R232 PolarHBondContact O-NE 2.94Å
229	T	38.3	Very low	41.9	Very low	57 Å²	57	80.2 Å²	80.2	35%	0.35	43%	0.426	S	S	.	.	H	α-helix	trans	-77.5	-33.8	170.3	39.1	0	0	0	0	112.6	Q225 N226 R227 R232 K233	Q225-T229 PolarHBondContact O-N 3.23Å; Q225-T229 PolarHBondContact O-OG1 2.94Å; N226-T229 WeakPolarHBondContact CA-OG1 3.48Å; N226-T229 PolarHBondContact O-OG1 2.98Å; R227-T229 VanDerWaalsContact C-N 3.34Å; R227-T229 PolarHBondContact O-N 3.21Å; T229-R232 PolarHBondContact O-N 3.03Å; T229-K233 WeakPolarHBondContact O-CB 3.32Å; T229-K233 WeakPolarHBondContact O-CG 3.35Å; T229-K233 PolarHBondContact O-N 3.14Å
230	C	39.7	Very low	42.4	Very low	69 Å²	69	79.7 Å²	79.7	47%	0.466	42%	0.417	S	S	.	.	H	α-helix	trans	-67.2	-46.5	176.5	-171.3	0	0	0	0	111.4	N226 R227 R232 K233 S234	N226-C230 WeakPolarHBondContact O-CB 3.44Å; N226-C230 PolarHBondContact O-N 2.84Å; R227-C230 PolarHBondContact O-N 3.24Å; C230-R232 PolarHBondContact O-N 2.66Å; C230-K233 PolarHBondContact O-N 2.88Å; C230-S234 WeakPolarHBondContact O-CB 3.33Å; C230-S234 PolarHBondContact O-N 3.36Å
231	V	44.1	Very low	42.7	Very low	22 Å²	22	74.3 Å²	74.3	13%	0.133	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-43.8	173.9	173.9	0	0	0	0	110.7	L206 R227 K233 S234 L235	L206-V231 HydrophobicContact CD1-CG2 3.54Å; R227-V231 VanDerWaalsContact O-CG2 3.27Å; R227-V231 WeakPolarHBondContact O-CG2 3.27Å; R227-V231 PolarHBondContact O-N 3.23Å; V231-K233 PolarHBondContact O-N 3Å; V231-S234 PolarHBondContact O-N 3.08Å; V231-L235 WeakPolarHBondContact O-CB 3.42Å; V231-L235 PolarHBondContact O-N 3.45Å
232	R	45.5	Very low	42.9	Very low	49 Å²	49	68.3 Å²	68.3	19%	0.185	36%	0.359	C	S	.	.	H	α-helix	trans	-61.6	-42.8	175.7	-81.1	-177.7	-96.7	179	-8.9	112.6	Q228 T229 C230 L235 I236	Q228-R232 VanDerWaalsContact CD-NH2 3.33Å; Q228-R232 VanDerWaalsContact O-CB 3.3Å; Q228-R232 WeakPolarHBondContact O-CB 3.46Å; Q228-R232 WeakPolarHBondContact O-CG 3.02Å; Q228-R232 PolarHBondContact O-N 3.44Å; Q228-R232 PolarHBondContact O-NE 2.94Å; T229-R232 PolarHBondContact O-N 3.03Å; C230-R232 PolarHBondContact O-N 2.66Å; R232-L235 PolarHBondContact O-N 3.43Å; R232-I236 WeakPolarHBondContact O-CB 3.46Å; R232-I236 VanDerWaalsContact O-CD1 3.26Å; R232-I236 WeakPolarHBondContact O-CD1 3.32Å; R232-I236 WeakPolarHBondContact O-CG1 3.19Å; R232-I236 PolarHBondContact O-N 3.28Å
233	K	43.9	Very low	43.4	Very low	143 Å²	143	67.7 Å²	67.7	62%	0.622	35%	0.346	S	S	*	.	H	α-helix	trans	-67.1	-40.4	177.2	-74.8	177.4	172.2	-158.9	0	112.3	T229 C230 V231 I236 C237	T229-K233 WeakPolarHBondContact O-CB 3.32Å; T229-K233 WeakPolarHBondContact O-CG 3.35Å; T229-K233 PolarHBondContact O-N 3.14Å; C230-K233 PolarHBondContact O-N 2.88Å; V231-K233 PolarHBondContact O-N 3Å; K233-I236 PolarHBondContact O-N 3.27Å; K233-C237 WeakPolarHBondContact O-CB 3.4Å; K233-C237 PolarHBondContact O-N 3.22Å
234	S	43.4	Very low	43.8	Very low	45 Å²	45	63.7 Å²	63.7	32%	0.315	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-45.4	173	-169.3	0	0	0	0	111.1	E202 C230 V231 C237 A238	E202-S234 WeakPolarHBondContact OE1-CB 3.21Å; E202-S234 PolarHBondContact OE1-OG 3.49Å; C230-S234 WeakPolarHBondContact O-CB 3.33Å; C230-S234 PolarHBondContact O-N 3.36Å; V231-S234 PolarHBondContact O-N 3.08Å; S234-C237 PolarHBondContact O-N 3.04Å; S234-A238 WeakPolarHBondContact O-CB 3.18Å; S234-A238 PolarHBondContact O-N 3.1Å
235	L	49.5	Very low	44.3	Very low	11 Å²	11	56.1 Å²	56.1	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-36.3	179	-131.3	77.4	0	0	0	113	L178 L182 I198 V231 R232 A238 F239	L178-L235 HydrophobicContact CD2-CB 4.47Å; L178-L235 HydrophobicContact CD2-CD2 3.6Å; L178-L235 HydrophobicContact CG-CD2 4Å; L182-L235 HydrophobicContact CD1-CD2 3.49Å; L182-L235 VanDerWaalsContact CD1-CD2 3.49Å; L182-L235 HydrophobicContact CD1-CG 4.26Å; I198-L235 HydrophobicContact CG2-CD1 3.99Å; V231-L235 WeakPolarHBondContact O-CB 3.42Å; V231-L235 PolarHBondContact O-N 3.45Å; R232-L235 PolarHBondContact O-N 3.43Å; L235-A238 WeakPolarHBondContact O-CB 3.3Å; L235-F239 VanDerWaalsContact O-CB 3.25Å; L235-F239 WeakPolarHBondContact O-CB 3.13Å; L235-F239 PolarHBondContact O-N 2.87Å
236	I	48.1	Very low	45	Very low	45 Å²	45	51.2 Å²	51.2	23%	0.231	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-44.6	175.4	-75.2	158	0	0	0	110.3	M170 R232 K233 F239 A240	M170-I236 HydrophobicContact CE-CD1 4.24Å; M170-I236 HydrophobicContact CG-CD1 3.96Å; M170-I236 HydrophobicContact SD-CD1 3.74Å; R232-I236 WeakPolarHBondContact O-CB 3.46Å; R232-I236 VanDerWaalsContact O-CD1 3.26Å; R232-I236 WeakPolarHBondContact O-CD1 3.32Å; R232-I236 WeakPolarHBondContact O-CG1 3.19Å; R232-I236 PolarHBondContact O-N 3.28Å; K233-I236 PolarHBondContact O-N 3.27Å; I236-F239 PolarHBondContact O-N 3.05Å; I236-A240 WeakPolarHBondContact O-CB 3.41Å; I236-A240 PolarHBondContact O-N 3.43Å
237	C	44.3	Very low	45.4	Very low	37 Å²	37	47.8 Å²	47.8	25%	0.25	26%	0.26	C	S	.	.	H	α-helix	trans	-66.7	-40.3	177.3	-156.7	0	0	0	0	111.4	K233 S234 F239 A240 M241	K233-C237 WeakPolarHBondContact O-CB 3.4Å; K233-C237 PolarHBondContact O-N 3.22Å; S234-C237 PolarHBondContact O-N 3.04Å; C237-F239 VanDerWaalsContact C-N 3.33Å; C237-F239 PolarHBondContact O-N 3.44Å; C237-A240 PolarHBondContact O-N 2.84Å; C237-M241 VanDerWaalsContact O-CB 3.31Å; C237-M241 WeakPolarHBondContact O-CB 3.27Å; C237-M241 WeakPolarHBondContact O-CG 3.38Å; C237-M241 PolarHBondContact O-N 3.13Å
238	A	46.2	Very low	45.6	Very low	17 Å²	17	47 Å²	47	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-43.5	171.5	0	0	0	0	0	112.5	L110 S234 L235 M241 A242	L110-A238 HydrophobicContact CD1-CB 4.3Å; L110-A238 HydrophobicContact CD2-CB 3.21Å; L110-A238 HydrophobicContact CG-CB 4.27Å; S234-A238 WeakPolarHBondContact O-CB 3.18Å; S234-A238 PolarHBondContact O-N 3.1Å; L235-A238 WeakPolarHBondContact O-CB 3.3Å; A238-M241 PolarHBondContact O-N 3.3Å; A238-A242 VanDerWaalsContact O-CB 3.22Å; A238-A242 WeakPolarHBondContact O-CB 3.2Å; A238-A242 PolarHBondContact O-N 3.49Å
239	F	49.3	Very low	45.8	Very low	26 Å²	26	44.3 Å²	44.3	11%	0.114	25%	0.249	C	C	.	.	H	α-helix	trans	-70.7	-42.4	-179.8	-158.5	-91.3	0	0	0	111.9	F165 L182 A185 F186 L235 I236 C237 M241 A242 F243	F165-F239 AromaticContact CE2-CD1 3.69Å; F165-F239 HydrophobicContact CE2-CD1 3.69Å; F165-F239 AromaticContact CE2-CE1 3.69Å; F165-F239 HydrophobicContact CE2-CE1 3.69Å; F165-F239 AromaticContact CZ-CD1 3.96Å; F165-F239 HydrophobicContact CZ-CD1 3.96Å; F165-F239 HydrophobicContact CZ-CE1 4.41Å; L182-F239 HydrophobicContact CB-CE2 4.37Å; L182-F239 HydrophobicContact CD2-CD2 3.5Å; L182-F239 HydrophobicContact CD2-CE2 3.59Å; L182-F239 HydrophobicContact CG-CD2 3.72Å; L182-F239 HydrophobicContact CG-CE2 3.55Å; A185-F239 HydrophobicContact CB-CE2 4.41Å; A185-F239 HydrophobicContact CB-CZ 3.77Å; F186-F239 HydrophobicContact CD2-CD2 4.16Å; F186-F239 AromaticContact CD2-CE2 3.5Å; F186-F239 HydrophobicContact CD2-CE2 3.5Å; F186-F239 AromaticContact CD2-CZ 3.88Å; F186-F239 HydrophobicContact CD2-CZ 3.88Å; F186-F239 HydrophobicContact CE2-CD1 4.26Å; F186-F239 AromaticContact CE2-CD2 3.6Å; F186-F239 HydrophobicContact CE2-CD2 3.6Å; F186-F239 AromaticContact CE2-CE1 3.87Å; F186-F239 HydrophobicContact CE2-CE1 3.87Å; F186-F239 AromaticContact CE2-CE2 3.17Å; F186-F239 HydrophobicContact CE2-CE2 3.17Å; F186-F239 HydrophobicContact CE2-CG 4.15Å; F186-F239 AromaticContact CE2-CZ 3.33Å; F186-F239 HydrophobicContact CE2-CZ 3.33Å; F186-F239 HydrophobicContact CZ-CE2 4.4Å; F186-F239 HydrophobicContact CZ-CZ 4.37Å; L235-F239 VanDerWaalsContact O-CB 3.25Å; L235-F239 WeakPolarHBondContact O-CB 3.13Å; L235-F239 PolarHBondContact O-N 2.87Å; I236-F239 PolarHBondContact O-N 3.05Å; C237-F239 VanDerWaalsContact C-N 3.33Å; C237-F239 PolarHBondContact O-N 3.44Å; F239-M241 VanDerWaalsContact C-N 3.32Å; F239-M241 PolarHBondContact O-N 3.46Å; F239-A242 PolarHBondContact O-N 2.96Å; F239-F243 WeakPolarHBondContact O-CB 3.5Å; F239-F243 PolarHBondContact O-N 3.13Å
240	A	48.2	Very low	46.3	Very low	45 Å²	45	46.2 Å²	46.2	37%	0.372	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-43.9	173.6	0	0	0	0	0	111	I236 C237 F243 I244	I236-A240 WeakPolarHBondContact O-CB 3.41Å; I236-A240 PolarHBondContact O-N 3.43Å; C237-A240 PolarHBondContact O-N 2.84Å; A240-F243 PolarHBondContact O-N 3.5Å; A240-I244 WeakPolarHBondContact O-CB 3.4Å; A240-I244 WeakPolarHBondContact O-CD1 3.38Å; A240-I244 WeakPolarHBondContact O-CG1 3.43Å; A240-I244 PolarHBondContact O-N 3.41Å
241	M	48.8	Very low	46.2	Very low	27 Å²	27	44.5 Å²	44.5	13%	0.133	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-47.4	176.3	-72.1	-76.5	-80.9	0	0	111.9	L90 L103 L110 C237 A238 F239 F243 I244 I245	L90-M241 HydrophobicContact CD1-CE 4.01Å; L90-M241 HydrophobicContact CD1-SD 4.43Å; L90-M241 HydrophobicContact CD2-CE 3.62Å; L90-M241 HydrophobicContact CG-CE 4.36Å; L103-M241 HydrophobicContact CD1-CE 4.38Å; L110-M241 HydrophobicContact CD1-CB 3.54Å; L110-M241 HydrophobicContact CD1-CG 4.41Å; C237-M241 VanDerWaalsContact O-CB 3.31Å; C237-M241 WeakPolarHBondContact O-CB 3.27Å; C237-M241 WeakPolarHBondContact O-CG 3.38Å; C237-M241 PolarHBondContact O-N 3.13Å; A238-M241 PolarHBondContact O-N 3.3Å; F239-M241 VanDerWaalsContact C-N 3.32Å; F239-M241 PolarHBondContact O-N 3.46Å; M241-F243 PolarHBondContact O-N 3.28Å; M241-I244 PolarHBondContact O-N 3.29Å; M241-I245 WeakPolarHBondContact O-CB 3.46Å; M241-I245 VanDerWaalsContact O-CD1 3.28Å; M241-I245 WeakPolarHBondContact O-CD1 3.48Å; M241-I245 WeakPolarHBondContact O-CG1 3.48Å; M241-I245 PolarHBondContact O-N 3.29Å
242	A	46.2	Very low	45.9	Very low	28 Å²	28	44.5 Å²	44.5	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-34.9	176	0	0	0	0	0	111.8	F186 A238 F239 S246	F186-A242 HydrophobicContact CZ-CB 4.28Å; A238-A242 VanDerWaalsContact O-CB 3.22Å; A238-A242 WeakPolarHBondContact O-CB 3.2Å; A238-A242 PolarHBondContact O-N 3.49Å; F239-A242 PolarHBondContact O-N 2.96Å; A242-S246 VanDerWaalsContact O-CB 3.3Å; A242-S246 WeakPolarHBondContact O-CB 3.34Å; A242-S246 PolarHBondContact O-N 3.07Å; A242-S246 PolarHBondContact O-OG 3.17Å
243	F	48	Very low	46	Very low	71 Å²	71	47 Å²	47	31%	0.311	27%	0.266	S	S	.	.	H	α-helix	trans	-72	-44.3	175.8	-178.8	-103.4	0	0	0	112.3	L157 I161 F239 A240 M241 I245 S246 V247	L157-F243 HydrophobicContact CD1-CZ 4.24Å; I161-F243 HydrophobicContact CD1-CD2 4.44Å; I161-F243 HydrophobicContact CD1-CE1 4.01Å; I161-F243 HydrophobicContact CD1-CE2 3.44Å; I161-F243 VanDerWaalsContact CD1-CE2 3.44Å; I161-F243 HydrophobicContact CD1-CZ 3.17Å; F239-F243 WeakPolarHBondContact O-CB 3.5Å; F239-F243 PolarHBondContact O-N 3.13Å; A240-F243 PolarHBondContact O-N 3.5Å; M241-F243 PolarHBondContact O-N 3.28Å; F243-I245 VanDerWaalsContact C-N 3.29Å; F243-I245 PolarHBondContact O-N 2.91Å; F243-S246 PolarHBondContact O-N 2.91Å; F243-V247 HydrophobicContact CD1-CG2 4.34Å; F243-V247 HydrophobicContact CD2-CG2 4.41Å; F243-V247 HydrophobicContact CE1-CG2 3.93Å; F243-V247 HydrophobicContact CE2-CG2 4Å; F243-V247 HydrophobicContact CZ-CG2 3.74Å; F243-V247 WeakPolarHBondContact O-CB 3.27Å; F243-V247 VanDerWaalsContact O-CG2 3.31Å; F243-V247 WeakPolarHBondContact O-CG2 3.47Å; F243-V247 PolarHBondContact O-N 3.46Å
244	I	49.5	Very low	45.9	Very low	56 Å²	56	46.4 Å²	46.4	29%	0.287	27%	0.265	S	S	.	.	H	α-helix	trans	-57.6	-46	172.9	-71.1	163	0	0	0	110.1	L143 A240 M241 V247 M248	L143-I244 HydrophobicContact CD2-CD1 3.69Å; A240-I244 WeakPolarHBondContact O-CB 3.4Å; A240-I244 WeakPolarHBondContact O-CD1 3.38Å; A240-I244 WeakPolarHBondContact O-CG1 3.43Å; A240-I244 PolarHBondContact O-N 3.41Å; M241-I244 PolarHBondContact O-N 3.29Å; I244-V247 PolarHBondContact O-N 3.29Å; I244-M248 HydrophobicContact CG2-CG 4.26Å; I244-M248 VanDerWaalsContact O-CB 3.27Å; I244-M248 WeakPolarHBondContact O-CB 3.46Å; I244-M248 WeakPolarHBondContact O-CG 3.22Å; I244-M248 PolarHBondContact O-N 2.93Å
245	I	48.5	Very low	46	Very low	16 Å²	16	49.9 Å²	49.9	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-45.8	176.8	-66.1	162.8	0	0	0	110.3	M107 Y112 M241 F243 V247 M248 L249	M107-I245 HydrophobicContact CE-CD1 3.64Å; M107-I245 HydrophobicContact CE-CG1 3.79Å; M107-I245 HydrophobicContact CE-CG2 4.03Å; M107-I245 HydrophobicContact CG-CD1 3.83Å; Y112-I245 HydrophobicContact CD1-CG2 4.16Å; Y112-I245 HydrophobicContact CE1-CG2 3.98Å; M241-I245 WeakPolarHBondContact O-CB 3.46Å; M241-I245 VanDerWaalsContact O-CD1 3.28Å; M241-I245 WeakPolarHBondContact O-CD1 3.48Å; M241-I245 WeakPolarHBondContact O-CG1 3.48Å; M241-I245 PolarHBondContact O-N 3.29Å; F243-I245 VanDerWaalsContact C-N 3.29Å; F243-I245 PolarHBondContact O-N 2.91Å; I245-V247 PolarHBondContact O-N 3.36Å; I245-M248 PolarHBondContact O-N 3.35Å; I245-L249 HydrophobicContact CG2-CD1 3.68Å; I245-L249 HydrophobicContact CG2-CG 4.18Å; I245-L249 VanDerWaalsContact O-CB 3.31Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 WeakPolarHBondContact O-CG 3.36Å; I245-L249 PolarHBondContact O-N 3.21Å
246	S	48.2	Very low	45.7	Very low	30 Å²	30	54.8 Å²	54.8	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-44	178.4	-59.5	0	0	0	0	112.1	A242 F243 L249 I250	A242-S246 VanDerWaalsContact O-CB 3.3Å; A242-S246 WeakPolarHBondContact O-CB 3.34Å; A242-S246 PolarHBondContact O-N 3.07Å; A242-S246 PolarHBondContact O-OG 3.17Å; F243-S246 PolarHBondContact O-N 2.91Å; S246-L249 PolarHBondContact O-N 3.5Å; S246-I250 WeakPolarHBondContact O-CB 3.19Å; S246-I250 VanDerWaalsContact O-CD1 3.31Å; S246-I250 WeakPolarHBondContact O-CD1 3.29Å; S246-I250 WeakPolarHBondContact O-CG1 3.35Å; S246-I250 PolarHBondContact O-N 2.72Å
247	V	46.3	Very low	45.4	Very low	41 Å²	41	62.4 Å²	62.4	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-67.2	-39.1	177.8	171.8	0	0	0	0	111.3	L157 F243 I244 I245 A251	L157-V247 HydrophobicContact CD1-CG2 4.31Å; F243-V247 HydrophobicContact CD1-CG2 4.34Å; F243-V247 HydrophobicContact CD2-CG2 4.41Å; F243-V247 HydrophobicContact CE1-CG2 3.93Å; F243-V247 HydrophobicContact CE2-CG2 4Å; F243-V247 HydrophobicContact CZ-CG2 3.74Å; F243-V247 WeakPolarHBondContact O-CB 3.27Å; F243-V247 VanDerWaalsContact O-CG2 3.31Å; F243-V247 WeakPolarHBondContact O-CG2 3.47Å; F243-V247 PolarHBondContact O-N 3.46Å; I244-V247 PolarHBondContact O-N 3.29Å; I245-V247 PolarHBondContact O-N 3.36Å; V247-A251 WeakPolarHBondContact O-CB 3.23Å; V247-A251 PolarHBondContact O-N 3.06Å
248	M	44	Very low	45.5	Very low	58 Å²	58	64.2 Å²	64.2	29%	0.286	34%	0.344	S	S	.	.	H	α-helix	trans	-69.8	-39	177.2	-70.4	-95.4	81.6	0	0	112.1	R125 I244 I245 A251 A252	R125-M248 HydrophobicContact CG-CE 4.32Å; R125-M248 HydrophobicContact CG-SD 3.91Å; I244-M248 HydrophobicContact CG2-CG 4.26Å; I244-M248 VanDerWaalsContact O-CB 3.27Å; I244-M248 WeakPolarHBondContact O-CB 3.46Å; I244-M248 WeakPolarHBondContact O-CG 3.22Å; I244-M248 PolarHBondContact O-N 2.93Å; I245-M248 PolarHBondContact O-N 3.35Å; M248-A251 PolarHBondContact O-N 3.03Å; M248-A252 VanDerWaalsContact O-CB 3.28Å; M248-A252 WeakPolarHBondContact O-CB 3.46Å; M248-A252 PolarHBondContact O-N 3.44Å
249	L	42.7	Very low	45.4	Very low	38 Å²	38	66.6 Å²	66.6	20%	0.199	37%	0.37	C	S	.	.	H	α-helix	trans	-67.8	-36.5	175.3	-73.4	172.3	0	0	0	112.2	Y112 E118 I245 S246 N253	Y112-L249 HydrophobicContact CE2-CD1 4.19Å; E118-L249 HydrophobicContact CG-CD2 4.36Å; I245-L249 HydrophobicContact CG2-CD1 3.68Å; I245-L249 HydrophobicContact CG2-CG 4.18Å; I245-L249 VanDerWaalsContact O-CB 3.31Å; I245-L249 WeakPolarHBondContact O-CB 3.47Å; I245-L249 WeakPolarHBondContact O-CG 3.36Å; I245-L249 PolarHBondContact O-N 3.21Å; S246-L249 PolarHBondContact O-N 3.5Å; L249-N253 VanDerWaalsContact O-CB 3.31Å; L249-N253 WeakPolarHBondContact O-CB 3.5Å; L249-N253 PolarHBondContact O-N 2.97Å; L249-N253 PolarHBondContact O-ND2 3.42Å
250	I	47.7	Very low	45.3	Very low	97 Å²	97	73.4 Å²	73.4	50%	0.497	40%	0.404	S	S	.	.	H	α-helix	trans	-66.4	-43.4	173.5	-68.5	162.8	0	0	0	110.3	S246 N253 Q254	S246-I250 WeakPolarHBondContact O-CB 3.19Å; S246-I250 VanDerWaalsContact O-CD1 3.31Å; S246-I250 WeakPolarHBondContact O-CD1 3.29Å; S246-I250 WeakPolarHBondContact O-CG1 3.35Å; S246-I250 PolarHBondContact O-N 2.72Å; I250-N253 PolarHBondContact O-N 3.38Å; I250-Q254 VanDerWaalsContact O-CG 3.3Å; I250-Q254 WeakPolarHBondContact O-CG 3.31Å; I250-Q254 PolarHBondContact O-N 3.25Å; I250-Q254 VanDerWaalsContact O-N 3.1Å
251	A	38.5	Very low	45	Very low	32 Å²	32	82.7 Å²	82.7	26%	0.264	44%	0.44	S	S	.	.	H	α-helix	trans	-65.3	-42.1	176.2	0	0	0	0	0	112.3	V247 M248 Q254 I255	V247-A251 WeakPolarHBondContact O-CB 3.23Å; V247-A251 PolarHBondContact O-N 3.06Å; M248-A251 PolarHBondContact O-N 3.03Å; A251-Q254 PolarHBondContact O-N 2.61Å; A251-I255 VanDerWaalsContact O-CG1 3.31Å; A251-I255 WeakPolarHBondContact O-CG1 3.41Å; A251-I255 PolarHBondContact O-N 2.92Å
252	A	38	Very low	44.8	Very low	23 Å²	23	85.5 Å²	85.5	19%	0.19	46%	0.455	C	S	.	.	H	α-helix	trans	-64.7	-41.4	177	0	0	0	0	0	112.1	M248 Q254 I255 L256	M248-A252 VanDerWaalsContact O-CB 3.28Å; M248-A252 WeakPolarHBondContact O-CB 3.46Å; M248-A252 PolarHBondContact O-N 3.44Å; A252-Q254 VanDerWaalsContact C-N 3.29Å; A252-Q254 PolarHBondContact O-N 3.23Å; A252-I255 PolarHBondContact O-N 2.9Å; A252-L256 WeakPolarHBondContact O-CG 3.08Å; A252-L256 PolarHBondContact O-N 3.45Å
253	N	45.9	Very low	44.7	Very low	102 Å²	102	88.5 Å²	88.5	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-30.3	174.6	-84.7	-38.8	0	0	0	113.1	L249 I250 R257	L249-N253 VanDerWaalsContact O-CB 3.31Å; L249-N253 WeakPolarHBondContact O-CB 3.5Å; L249-N253 PolarHBondContact O-N 2.97Å; L249-N253 PolarHBondContact O-ND2 3.42Å; I250-N253 PolarHBondContact O-N 3.38Å; N253-R257 PolarHBondContact O-N 3.42Å
254	Q	42.3	Very low	44.5	Very low	129 Å²	129	89.4 Å²	89.4	60%	0.603	48%	0.476	S	S	*	.	H	α-helix	trans	-73.3	-38.8	173.7	-72.6	175.7	9.6	0	0	112	I250 A251 A252 R257 S258	I250-Q254 VanDerWaalsContact O-CG 3.3Å; I250-Q254 WeakPolarHBondContact O-CG 3.31Å; I250-Q254 PolarHBondContact O-N 3.25Å; I250-Q254 VanDerWaalsContact O-N 3.1Å; A251-Q254 PolarHBondContact O-N 2.61Å; A252-Q254 VanDerWaalsContact C-N 3.29Å; A252-Q254 PolarHBondContact O-N 3.23Å; Q254-R257 PolarHBondContact O-N 3.47Å; Q254-S258 PolarHBondContact O-N 3.26Å; Q254-S258 PolarHBondContact O-OG 2.96Å
255	I	45.3	Very low	44.3	Very low	118 Å²	118	91.4 Å²	91.4	61%	0.605	49%	0.487	S	S	*	.	H	α-helix	trans	-66	-43.8	176.8	-68.6	163.5	0	0	0	110.9	A251 A252 R257 S258 G259	A251-I255 VanDerWaalsContact O-CG1 3.31Å; A251-I255 WeakPolarHBondContact O-CG1 3.41Å; A251-I255 PolarHBondContact O-N 2.92Å; A252-I255 PolarHBondContact O-N 2.9Å; I255-R257 VanDerWaalsContact C-N 3.27Å; I255-R257 PolarHBondContact O-N 2.73Å; I255-S258 WeakPolarHBondContact CA-OG 3.41Å; I255-S258 PolarHBondContact O-N 3.23Å; I255-S258 PolarHBondContact O-OG 3.21Å; I255-G259 PolarHBondContact O-N 3.18Å
256	L	44	Very low	44	Very low	114 Å²	114	96.1 Å²	96.1	60%	0.597	51%	0.512	S	S	*	.	H	α-helix	trans	-62.6	-32.4	175.1	-71.9	171.4	0	0	0	112.7	A252	A252-L256 WeakPolarHBondContact O-CG 3.08Å; A252-L256 PolarHBondContact O-N 3.45Å
257	R	42.7	Very low	43.7	Very low	205 Å²	205	100.5 Å²	100.5	77%	0.774	53%	0.532	S	S	*	.	H	α-helix	trans	-73.4	-38.3	172.3	-87.9	-174.7	174.4	-157.1	-0.1	113.1	N253 Q254 I255 G259 M260	N253-R257 PolarHBondContact O-N 3.42Å; Q254-R257 PolarHBondContact O-N 3.47Å; I255-R257 VanDerWaalsContact C-N 3.27Å; I255-R257 PolarHBondContact O-N 2.73Å; R257-G259 VanDerWaalsContact C-N 3.29Å; R257-G259 PolarHBondContact O-N 2.96Å; R257-M260 PolarHBondContact O-N 2.85Å
258	S	46.2	Very low	43.5	Very low	75 Å²	75	104.8 Å²	104.8	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-72.4	-18.8	178.2	63.2	0	0	0	0	114.3	Q254 I255 M260	Q254-S258 PolarHBondContact O-N 3.26Å; Q254-S258 PolarHBondContact O-OG 2.96Å; I255-S258 WeakPolarHBondContact CA-OG 3.41Å; I255-S258 PolarHBondContact O-N 3.23Å; I255-S258 PolarHBondContact O-OG 3.21Å; S258-M260 VanDerWaalsContact C-N 3.3Å
259	G	43.7	Very low	43.5	Very low	68 Å²	68	108.4 Å²	108.4	70%	0.701	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	0.1	174.5	0	0	0	0	0	114.7	I255 R257	I255-G259 PolarHBondContact O-N 3.18Å; R257-G259 VanDerWaalsContact C-N 3.29Å; R257-G259 PolarHBondContact O-N 2.96Å
260	M	46.5	Very low	43.5	Very low	168 Å²	168	114.3 Å²	114.3	83%	0.828	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	6.4	179.8	-70.8	-176.3	61.3	0	0	113.9	R257 S258	R257-M260 PolarHBondContact O-N 2.85Å; S258-M260 VanDerWaalsContact C-N 3.3Å
261	E	41.9	Very low	43.2	Very low	240 Å²	240	115.8 Å²	115.8	100%	1.122	61%	0.614	S	S	*	*			trans	-106.1	0	173.8	-67.8	-173.5	126.9	0	0	112.4

Retrieved 261 of 261 residues in 104 ms (Link to these results)

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