A0A096NY61_PAPAN Loading...

arylamine N-acetyltransferase

AlphaFold DB , UniProt , Accession A0A096NY61, Species PAPAN (Papio anubis, Olive baboon), Gene NAT1, Length 352 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	34.5	Very low	29.9	Very low	230 Å²	230	151.6 Å²	151.6	100%	1.133	81%	0.814	S	S	*	*				0	131.7	0	-165.2	166.3	86.2	0	0	107.3
2	L	28.4	Very low	29.9	Very low	150 Å²	150	153.8 Å²	153.8	79%	0.785	82%	0.824	S	S	*	*			trans	71.2	133	-169.9	-91.7	70.7	0	0	0	116.4
3	L	29.3	Very low	29.8	Very low	154 Å²	154	156.6 Å²	156.6	81%	0.806	83%	0.829	S	S	*	*			cis	-164.5	134.3	-25.8	-146.6	89.5	0	0	0	105.7
4	L	26.6	Very low	30.2	Very low	148 Å²	148	153.5 Å²	153.5	78%	0.775	82%	0.822	S	S	*	*			trans	-69.7	147.1	171	-83.9	88.6	0	0	0	110.9	V6	L4-V6 HydrophobicContact CD2-CG2 4.04Å
5	L	30.9	Very low	30.2	Very low	161 Å²	161	156 Å²	156	84%	0.843	83%	0.826	S	S	*	*			trans	-134.6	107.3	152.5	-105	155.3	0	0	0	109.1
6	V	29.2	Very low	30.3	Very low	98 Å²	98	161.6 Å²	161.6	59%	0.594	83%	0.833	S	S	*	*			trans	-94.4	132.1	172.4	172.3	0	0	0	0	107.1	L4	L4-V6 HydrophobicContact CD2-CG2 4.04Å
7	H	30.1	Very low	30.5	Very low	184 Å²	184	159.2 Å²	159.2	85%	0.852	83%	0.83	S	S	*	*			trans	-126.1	118.1	158.2	-94.6	15.9	0	0	0	109.8
8	K	29.2	Very low	30.5	Very low	175 Å²	175	155.8 Å²	155.8	76%	0.761	83%	0.829	S	S	*	*			trans	-96.8	139.6	168.2	-105.7	-178	173.3	-172.7	0	107.1
9	E	29.7	Very low	30.5	Very low	178 Å²	178	154.6 Å²	154.6	83%	0.832	83%	0.828	S	S	*	*				132.1	150.9	114.9	-104	170	-156.8	0	0	106.7
10	A	30.7	Very low	30.3	Very low	93 Å²	93	150.8 Å²	150.8	77%	0.769	83%	0.827	S	S	*	*			cis	-156.9	160.9	5.2	0	0	0	0	0	109.5
11	A	30.4	Very low	30.3	Very low	97 Å²	97	153.9 Å²	153.9	80%	0.802	83%	0.828	S	S	*	*			trans	-80.3	148.1	176	0	0	0	0	0	112.8
12	L	29.3	Very low	30.1	Very low	178 Å²	178	151 Å²	151	93%	0.932	82%	0.816	S	S	*	*			trans	-152.1	109.9	166.2	-89.2	167.5	0	0	0	111.6
13	E	28.9	Very low	30.1	Very low	190 Å²	190	148.2 Å²	148.2	89%	0.888	81%	0.81	S	S	*	*			trans	-163.8	158.9	146.6	-107.6	-170.1	-173.6	0	0	106
14	P	35.1	Very low	30	Very low	113 Å²	113	147.7 Å²	147.7	73%	0.734	81%	0.807	S	S	*	*			cis	-133.9	174.4	11.4	38.1	-19.3	0	0	0	114.2
15	Q	29.9	Very low	30.1	Very low	191 Å²	191	148.2 Å²	148.2	89%	0.893	81%	0.805	S	S	*	*			trans	-134	123.9	162.2	-74	-157	-2	0	0	113
16	R	32.8	Very low	29.9	Very low	246 Å²	246	147.7 Å²	147.7	93%	0.928	80%	0.803	S	S	*	*			trans	-109.1	147.4	154.4	-80.3	-172	-173.1	-176.9	2.9	108.5
17	P	33.2	Very low	29.8	Very low	120 Å²	120	148.6 Å²	148.6	78%	0.779	81%	0.814	S	S	*	*			trans	-140.9	171.9	130.4	31.1	-13.3	0	0	0	110.1
18	A	31	Very low	29.7	Very low	98 Å²	98	146.4 Å²	146.4	81%	0.81	81%	0.808	S	S	*	*			cis	-164.6	168.5	-20.4	0	0	0	0	0	105.1
19	V	30.5	Very low	29.7	Very low	134 Å²	134	145 Å²	145	81%	0.812	81%	0.809	S	S	*	*			trans	-66.1	150.5	-173.1	177.2	0	0	0	0	113.8	Y21	V19-Y21 HydrophobicContact CG1-CD2 4.22Å
20	G	26.9	Very low	29.7	Very low	78 Å²	78	144 Å²	144	80%	0.804	80%	0.804	S	S	*	*			trans	-156	103.9	157	0	0	0	0	0	111.6
21	Y	30.4	Very low	29.6	Very low	216 Å²	216	145.8 Å²	145.8	85%	0.847	80%	0.8	S	S	*	*			trans	-83.1	137.7	165.7	-93.2	-94	0	0	0	109.2	V19	V19-Y21 HydrophobicContact CG1-CD2 4.22Å
22	N	30.2	Very low	29.4	Very low	168 Å²	168	146.9 Å²	146.9	90%	0.898	80%	0.797	S	S	*	*			trans	-154.9	145.7	146.5	-112	-9.6	0	0	0	111.4
23	S	28.2	Very low	29.3	Very low	92 Å²	92	143.5 Å²	143.5	64%	0.643	79%	0.788	S	S	*	*			trans	-100.5	165.4	-165.6	50	0	0	0	0	113.8
24	L	27.8	Very low	29.3	Very low	143 Å²	143	140.1 Å²	140.1	75%	0.749	78%	0.78	S	S	*	*			trans	96.3	124.1	147.3	-75.6	151.1	0	0	0	121.1
25	Q	27.7	Very low	28.8	Very low	159 Å²	159	141.1 Å²	141.1	74%	0.743	78%	0.778	S	S	*	*			trans	90.2	107.2	133.4	-88.6	170.8	-22.8	0	0	122.3
26	L	27.6	Very low	28.8	Very low	151 Å²	151	140.7 Å²	140.7	79%	0.791	78%	0.776	S	S	*	*				34.2	123.2	119.3	-76.4	157.1	0	0	0	119.4
27	S	26.6	Very low	28.6	Very low	117 Å²	117	133.5 Å²	133.5	82%	0.818	77%	0.769	S	S	*	*				-168.5	133.1	121.4	57.8	0	0	0	0	111.5
28	D	28.1	Very low	28.5	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	78%	0.776	S	S	*	*			trans	-61.1	154.2	165.2	-62.3	-57.2	0	0	0	112
29	D	28	Very low	28.6	Very low	144 Å²	144	145 Å²	145	77%	0.77	78%	0.782	S	S	*	*				167.5	160.5	117.4	-97.5	-25.6	0	0	0	114.4
30	H	30	Very low	28.7	Very low	159 Å²	159	148 Å²	148	74%	0.736	78%	0.784	S	S	*	*			trans	102.7	99	166.3	-60.9	-48.6	0	0	0	116.3
31	D	28.8	Very low	29.1	Very low	129 Å²	129	153.2 Å²	153.2	69%	0.69	79%	0.787	S	S	*	*				96.9	102.8	70.6	-96	-38.1	0	0	0	109.7
32	V	27	Very low	29.1	Very low	121 Å²	121	150.6 Å²	150.6	73%	0.733	78%	0.783	S	S	*	*				99.6	135.8	84.1	159.8	0	0	0	0	112.5
33	S	27	Very low	29.2	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	77%	0.774	S	S	*	*			trans	105.1	139.6	155	83	0	0	0	0	116.6
34	V	27.8	Very low	29.4	Very low	120 Å²	120	149.7 Å²	149.7	73%	0.727	78%	0.783	S	S	*	*			cis	-173.2	138.1	-3.4	121.3	0	0	0	0	107.8
35	I	26.3	Very low	29.4	Very low	133 Å²	133	151.7 Å²	151.7	68%	0.682	79%	0.786	S	S	*	*			trans	69.5	113.2	141.8	-59.9	177.3	0	0	0	123
36	Q	29.5	Very low	29.5	Very low	183 Å²	183	156.1 Å²	156.1	86%	0.855	80%	0.796	S	S	*	*			trans	41.1	131.9	132.7	-58.7	174.5	-24.1	0	0	122.9
37	A	28.5	Very low	29.8	Very low	95 Å²	95	155.8 Å²	155.8	79%	0.785	79%	0.794	S	S	*	*				-172.4	125.7	116.1	0	0	0	0	0	115.4
38	R	30.1	Very low	30.3	Very low	247 Å²	247	160.3 Å²	160.3	93%	0.932	80%	0.799	S	S	*	*			trans	45.1	117.9	138.8	-70.7	178.5	172.5	174.3	-2.1	122
39	K	34.3	Very low	30.6	Very low	213 Å²	213	159.9 Å²	159.9	93%	0.926	80%	0.801	S	S	*	*			trans	-63.4	133.7	154.3	-74.1	177.1	173.7	177.7	0	111.8
40	K	31.6	Very low	30.9	Very low	196 Å²	196	161.9 Å²	161.9	85%	0.852	81%	0.806	S	S	*	*			trans	-138.6	136.4	151.3	-90.6	-169.8	177.4	-176.5	0	110
41	Q	35.6	Very low	31.3	Very low	188 Å²	188	159.1 Å²	159.1	88%	0.879	81%	0.81	S	S	*	*			trans	-102.1	125	-173.6	-170.2	171.9	8.5	0	0	107.3
42	H	30.4	Very low	31.6	Very low	161 Å²	161	161.4 Å²	161.4	75%	0.745	82%	0.817	S	S	*	*			trans	-140.6	123.8	164.8	-79.3	-72	0	0	0	110.2
43	S	32.4	Very low	32	Very low	104 Å²	104	160.4 Å²	160.4	73%	0.727	81%	0.813	S	S	*	*			trans	-58.5	134.9	171.5	46.4	0	0	0	0	112.4
44	V	31.4	Very low	32.5	Very low	136 Å²	136	161.3 Å²	161.3	82%	0.824	81%	0.814	S	S	*	*			trans	-107.1	123.2	170.8	-176.6	0	0	0	0	109.2
45	F	29.1	Very low	33.1	Very low	186 Å²	186	165 Å²	165	82%	0.816	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.4	142.8	174.5	-99.3	-109	0	0	0	111.3	I47	F45-I47 PolarHBondContact O-N 3.2Å
46	W	30.3	Very low	33.9	Very low	251 Å²	251	163.3 Å²	163.3	95%	0.951	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.9	118	171.1	-66.4	91.2	0	0	0	110.5
47	I	32.2	Very low	34.5	Very low	145 Å²	145	161.9 Å²	161.9	74%	0.744	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-103.4	116.4	163.3	-60.6	176.5	0	0	0	106.7	F45 T49	F45-I47 PolarHBondContact O-N 3.2Å; I47-T49 PolarHBondContact O-N 3.36Å
48	K	38.7	Very low	35.1	Very low	211 Å²	211	165 Å²	165	92%	0.917	82%	0.821	S	S	*	*			trans	-65.4	108.6	166.1	-83.7	179.3	171.7	179.5	0	107.8
49	T	33.3	Very low	35.8	Very low	129 Å²	129	165 Å²	165	79%	0.791	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-92.8	144.1	165.2	34.6	0	0	0	0	110.6	I47	I47-T49 PolarHBondContact O-N 3.36Å
50	E	34.7	Very low	36.4	Very low	187 Å²	187	164 Å²	164	87%	0.874	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-62.4	160	-167.8	-68	159.2	144.5	0	0	114	Q52	E50-Q52 PolarHBondContact O-N 3.2Å
51	A	39.2	Very low	37.5	Very low	100 Å²	100	157.1 Å²	157.1	83%	0.826	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-46.7	126.1	178.7	0	0	0	0	0	112.5
52	Q	33.3	Very low	39.4	Very low	178 Å²	178	153 Å²	153	83%	0.832	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-68.7	132.8	166.8	-68.2	-144.5	-27.7	0	0	109.9	E50 T54	E50-Q52 PolarHBondContact O-N 3.2Å; Q52-T54 PolarHBondContact O-N 3.47Å
53	P	36.8	Very low	42.3	Very low	100 Å²	100	147.6 Å²	147.6	65%	0.649	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-66	130.5	167.7	27.7	-30.4	0	0	0	108.3	F55	P53-F55 PolarHBondContact O-N 2.68Å
54	T	38.1	Very low	45.2	Very low	125 Å²	125	145.5 Å²	145.5	77%	0.767	74%	0.741	S	S	*	*			trans	-54.7	102.2	175	47	0	0	0	0	110.7	Q52 S56	Q52-T54 PolarHBondContact O-N 3.47Å; T54-S56 PolarHBondContact O-N 3.16Å
55	F	39.5	Very low	48.3	Very low	198 Å²	198	139.9 Å²	139.9	87%	0.868	71%	0.706	S	S	*	*			trans	-73.3	58.1	170.3	-103.5	-88	0	0	0	111.1	P53	P53-F55 PolarHBondContact O-N 2.68Å
56	S	43.1	Very low	51.5	Low	96 Å²	96	135.5 Å²	135.5	67%	0.671	69%	0.688	S	S	*	*			trans	-119	9.8	179.4	81.6	0	0	0	0	115.6	T54	T54-S56 PolarHBondContact O-N 3.16Å
57	L	42.7	Very low	54.7	Low	153 Å²	153	125 Å²	125	80%	0.801	65%	0.654	S	S	*	*	S	Bend	trans	-124.7	9.6	-175.3	-86.3	158.5	0	0	0	116.5
58	L	41.3	Very low	57.9	Low	162 Å²	162	118 Å²	118	85%	0.848	62%	0.619	S	S	*	*	S	Bend	trans	-137.1	49	-176.1	-71.9	170.4	0	0	0	115.1
59	R	43.6	Very low	60.7	Low	246 Å²	246	108.3 Å²	108.3	93%	0.928	58%	0.577	S	S	*	*			trans	-137.6	65.9	150	-86.6	-168.1	177.7	-177.7	-0.6	109.3	G61	R59-G61 VanDerWaalsContact C-N 3.35Å; R59-G61 PolarHBondContact O-N 3.16Å; R59-G61 VanDerWaalsContact O-N 3.12Å
60	K	46.2	Very low	63.8	Low	191 Å²	191	109.8 Å²	109.8	83%	0.83	58%	0.575	S	S	*	*			trans	-63.8	107.4	149.5	-108.9	-177.3	172.5	-173.3	0	104.9
61	G	55.6	Low	66.9	Low	53 Å²	53	102 Å²	102	55%	0.546	54%	0.537	S	S	.	.			trans	-57.2	154.9	178.8	0	0	0	0	0	110.8	R59 M63	R59-G61 VanDerWaalsContact C-N 3.35Å; R59-G61 PolarHBondContact O-N 3.16Å; R59-G61 VanDerWaalsContact O-N 3.12Å; G61-M63 PolarHBondContact O-N 2.73Å
62	I	74.8	Confident	69.7	Low	102 Å²	102	97.6 Å²	97.6	52%	0.523	50%	0.5	S	S	.	.	S	Bend	trans	-59.1	-14.8	177.2	-65.3	169.9	0	0	0	111.5	E115 R123	I62-E115 HydrophobicContact CG2-CG 4.25Å; I62-R123 PolarHBondContact O-NH2 3.28Å
63	M	91.8	Very high	72.8	Confident	46 Å²	46	90.7 Å²	90.7	23%	0.227	48%	0.477	C	S	.	.	S	Bend	trans	-130.1	129.6	174.4	-59.8	-177.9	-72.2	0	0	109.6	G61 L114 E115 F118 W139	G61-M63 PolarHBondContact O-N 2.73Å; M63-L114 HydrophobicContact CE-CB 4.48Å; M63-L114 HydrophobicContact CE-CD2 3.8Å; M63-L114 HydrophobicContact CE-CG 3.93Å; M63-L114 HydrophobicContact SD-CB 4.43Å; M63-L114 HydrophobicContact SD-CD2 4.17Å; M63-L114 HydrophobicContact SD-CG 3.71Å; M63-E115 HydrophobicContact CE-CG 4Å; M63-E115 HydrophobicContact SD-CG 4.14Å; M63-F118 HydrophobicContact CB-CD1 4.26Å; M63-F118 HydrophobicContact CB-CD2 3.85Å; M63-F118 HydrophobicContact CB-CE1 4.41Å; M63-F118 HydrophobicContact CB-CE2 4.01Å; M63-F118 HydrophobicContact CB-CG 3.99Å; M63-F118 HydrophobicContact CB-CZ 4.29Å; M63-F118 HydrophobicContact CG-CB 3.78Å; M63-F118 HydrophobicContact CG-CD1 3.88Å; M63-F118 HydrophobicContact CG-CD2 3.91Å; M63-F118 HydrophobicContact CG-CE1 4.47Å; M63-F118 HydrophobicContact CG-CE2 4.49Å; M63-F118 HydrophobicContact CG-CG 3.57Å; M63-F118 HydrophobicContact SD-CB 3.63Å; M63-F118 HydrophobicContact SD-CD2 4.24Å; M63-F118 HydrophobicContact SD-CG 4Å; M63-W139 HydrophobicContact CB-CH2 4.4Å; M63-W139 HydrophobicContact CB-CZ2 3.81Å
64	D	92.8	Very high	75.8	Confident	60 Å²	60	86.6 Å²	86.6	32%	0.321	45%	0.448	S	S	.	.			trans	-121.1	124.1	-174.3	-174.8	-5.2	0	0	0	109.5	E66 A67 Y68 F118	D64-E66 PolarHBondContact O-N 2.9Å; D64-E66 PolarHBondContact OD1-N 2.76Å; D64-A67 HydrophobicContact CB-CB 4.16Å; D64-A67 PolarHBondContact O-N 3.42Å; D64-Y68 PolarHBondContact O-N 2.81Å; D64-F118 WeakPolarHBondContact O-CZ 3.27Å
65	I	96.8	Very high	78.5	Confident	19 Å²	19	90 Å²	90	10%	0.097	45%	0.453	C	S	.	.	H	α-helix	trans	-61.7	-34.8	179.6	-170.9	60.9	0	0	0	111.4	A67 Y68 L69 W139 A140 T143 M144	I65-A67 VanDerWaalsContact C-N 3.33Å; I65-A67 PolarHBondContact O-N 3.44Å; I65-Y68 HydrophobicContact CD1-CD1 3.9Å; I65-Y68 PolarHBondContact O-N 2.91Å; I65-L69 HydrophobicContact CG1-CD1 4.33Å; I65-L69 HydrophobicContact CG1-CG 4.4Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 3.39Å; I65-W139 HydrophobicContact CB-CH2 4.46Å; I65-W139 HydrophobicContact CD1-CH2 4.23Å; I65-W139 HydrophobicContact CD1-CZ3 4.28Å; I65-A140 HydrophobicContact CD1-CB 4.07Å; I65-T143 HydrophobicContact CB-CG2 4.1Å; I65-T143 HydrophobicContact CD1-CG2 4.38Å; I65-T143 HydrophobicContact CG1-CG2 4.29Å; I65-M144 HydrophobicContact CD1-CG 4.34Å
66	E	96.9	Very high	81.1	Confident	94 Å²	94	85.9 Å²	85.9	44%	0.439	44%	0.435	S	S	.	.	H	α-helix	trans	-67.8	-36.4	-179.2	-60.4	-58.1	146.8	0	0	111.1	D64 L69 E70 R78	D64-E66 PolarHBondContact O-N 2.9Å; D64-E66 PolarHBondContact OD1-N 2.76Å; E66-L69 PolarHBondContact O-N 2.89Å; E66-E70 WeakPolarHBondContact O-CB 3.31Å; E66-E70 PolarHBondContact O-N 2.9Å; E66-R78 IonicContact OE1-CZ 3.54Å; E66-R78 IonicContact OE1-NE 3.44Å; E66-R78 PolarHBondContact OE1-NE 3.39Å; E66-R78 IonicContact OE1-NH2 2.81Å; E66-R78 PolarHBondContact OE1-NH2 2.89Å
67	A	98.1	Very high	83.2	Confident	29 Å²	29	85 Å²	85	24%	0.24	43%	0.428	C	S	.	.	H	α-helix	trans	-66.9	-36.6	174.1	0	0	0	0	0	112.2	D64 I65 R71 F118 V122	D64-A67 HydrophobicContact CB-CB 4.16Å; D64-A67 PolarHBondContact O-N 3.42Å; I65-A67 VanDerWaalsContact C-N 3.33Å; I65-A67 PolarHBondContact O-N 3.44Å; A67-R71 WeakPolarHBondContact O-CB 3.13Å; A67-R71 PolarHBondContact O-N 3.14Å; A67-F118 HydrophobicContact CB-CZ 4.15Å; A67-V122 HydrophobicContact CB-CG1 3.96Å; A67-V122 WeakPolarHBondContact O-CG1 3.48Å
68	Y	98.6	Very high	85.3	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-64.8	-45	172.2	163.3	-92.6	0	0	0	111.9	D64 I65 E70 R71 I72 Q93 V122 L136 W139 A140	D64-Y68 PolarHBondContact O-N 2.81Å; I65-Y68 HydrophobicContact CD1-CD1 3.9Å; I65-Y68 PolarHBondContact O-N 2.91Å; Y68-E70 VanDerWaalsContact C-N 3.32Å; Y68-E70 PolarHBondContact O-N 2.88Å; Y68-R71 WeakPolarHBondContact O-CB 3.48Å; Y68-R71 PolarHBondContact O-N 3.4Å; Y68-R71 VanDerWaalsContact O-N 3.16Å; Y68-I72 HydrophobicContact CD1-CD1 4.49Å; Y68-I72 HydrophobicContact CD2-CG2 4.39Å; Y68-I72 HydrophobicContact CE1-CD1 3.71Å; Y68-I72 HydrophobicContact CE1-CG1 4.48Å; Y68-I72 HydrophobicContact CE2-CG2 3.91Å; Y68-I72 PolarHBondContact O-N 3.35Å; Y68-Q93 PolarHBondContact OH-OE1 2.94Å; Y68-V122 HydrophobicContact CD2-CG2 4.42Å; Y68-L136 HydrophobicContact CD2-CD1 4.37Å; Y68-L136 HydrophobicContact CD2-CD2 4.07Å; Y68-L136 HydrophobicContact CD2-CG 4.06Å; Y68-L136 HydrophobicContact CE2-CD2 4.14Å; Y68-L136 HydrophobicContact CE2-CG 4.09Å; Y68-W139 HydrophobicContact CD2-CZ3 4.36Å; Y68-W139 AromaticContact CG-CZ3 3.99Å; Y68-W139 HydrophobicContact CG-CZ3 3.99Å; Y68-A140 HydrophobicContact CD1-CB 3.73Å; Y68-A140 HydrophobicContact CD2-CB 4.39Å; Y68-A140 HydrophobicContact CE1-CB 3.37Å; Y68-A140 HydrophobicContact CE2-CB 4.07Å; Y68-A140 HydrophobicContact CG-CB 4.23Å
69	L	98.4	Very high	87.4	Confident	7 Å²	7	81 Å²	81	4%	0.037	40%	0.401	C	S	.	.	H	α-helix	trans	-63.6	-39.7	178.4	-65.7	177	0	0	0	111.4	I65 E66 I72 G73 Y74 I89	I65-L69 HydrophobicContact CG1-CD1 4.33Å; I65-L69 HydrophobicContact CG1-CG 4.4Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 3.39Å; E66-L69 PolarHBondContact O-N 2.89Å; L69-I72 HydrophobicContact CD2-CD1 4.32Å; L69-I72 WeakPolarHBondContact O-CG1 3.26Å; L69-I72 PolarHBondContact O-N 2.7Å; L69-G73 PolarHBondContact O-N 3.34Å; L69-Y74 HydrophobicContact CD1-CD1 4.46Å; L69-Y74 HydrophobicContact CD2-CD1 3.79Å; L69-Y74 HydrophobicContact CD2-CG 4.27Å; L69-Y74 PolarHBondContact O-N 3.25Å; L69-I89 HydrophobicContact CD2-CD1 3.63Å
70	E	98.5	Very high	89.8	Confident	160 Å²	160	75 Å²	75	75%	0.748	38%	0.381	S	S	*	.	H	α-helix	trans	-59.6	-47.3	171	-177.4	176	-162.5	0	0	111.4	E66 Y68 I72 G73	E66-E70 WeakPolarHBondContact O-CB 3.31Å; E66-E70 PolarHBondContact O-N 2.9Å; Y68-E70 VanDerWaalsContact C-N 3.32Å; Y68-E70 PolarHBondContact O-N 2.88Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 2.86Å; E70-G73 PolarHBondContact O-N 3.44Å
71	R	98.7	Very high	92.3	Very high	23 Å²	23	69.4 Å²	69.4	9%	0.087	36%	0.36	C	S	.	.	H	α-helix	trans	-57.3	-39.7	179.4	168.6	65.7	-176	92.8	-3.6	113.1	A67 Y68 G73 A96 V121 V122 N125 R126	A67-R71 WeakPolarHBondContact O-CB 3.13Å; A67-R71 PolarHBondContact O-N 3.14Å; Y68-R71 WeakPolarHBondContact O-CB 3.48Å; Y68-R71 PolarHBondContact O-N 3.4Å; Y68-R71 VanDerWaalsContact O-N 3.16Å; R71-G73 VanDerWaalsContact C-N 3.33Å; R71-A96 VanDerWaalsContact CZ-O 3.24Å; R71-A96 PolarHBondContact NH1-O 2.97Å; R71-A96 PolarHBondContact NH2-O 3.3Å; R71-V121 WeakPolarHBondContact CD-O 3.27Å; R71-V121 PolarHBondContact NE-O 2.74Å; R71-V122 HydrophobicContact CB-CB 4.43Å; R71-V122 HydrophobicContact CB-CG1 3.94Å; R71-V122 HydrophobicContact CB-CG2 4.48Å; R71-V122 HydrophobicContact CG-CB 4.48Å; R71-V122 HydrophobicContact CG-CG2 4.42Å; R71-N125 WeakPolarHBondContact CD-OD1 3.22Å; R71-N125 PolarHBondContact NE-OD1 3.47Å; R71-N125 PolarHBondContact NH2-O 3.49Å; R71-R126 PolarHBondContact NH2-O 3Å
72	I	98.8	Very high	94.3	Very high	7 Å²	7	68.8 Å²	68.8	4%	0.036	34%	0.344	C	S	.	.	H	α-helix	trans	-87.2	-5.9	178.4	70.5	171.5	0	0	0	112.8	Y68 L69 E70 Y74 I89 H92 Q93 A96 V97	Y68-I72 HydrophobicContact CD1-CD1 4.49Å; Y68-I72 HydrophobicContact CD2-CG2 4.39Å; Y68-I72 HydrophobicContact CE1-CD1 3.71Å; Y68-I72 HydrophobicContact CE1-CG1 4.48Å; Y68-I72 HydrophobicContact CE2-CG2 3.91Å; Y68-I72 PolarHBondContact O-N 3.35Å; L69-I72 HydrophobicContact CD2-CD1 4.32Å; L69-I72 WeakPolarHBondContact O-CG1 3.26Å; L69-I72 PolarHBondContact O-N 2.7Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 2.86Å; I72-Y74 VanDerWaalsContact C-N 3.34Å; I72-I89 HydrophobicContact CD1-CD1 4.19Å; I72-I89 HydrophobicContact CD1-CG2 4.37Å; I72-H92 HydrophobicContact CB-CB 4.08Å; I72-H92 HydrophobicContact CD1-CB 3.83Å; I72-H92 HydrophobicContact CG1-CB 3.98Å; I72-H92 WeakPolarHBondContact O-CB 3.25Å; I72-Q93 HydrophobicContact CG2-CB 4.12Å; I72-Q93 HydrophobicContact CG2-CG 4.34Å; I72-A96 HydrophobicContact CB-CB 4.25Å; I72-V97 HydrophobicContact CG2-CG2 4.12Å
73	G	98.4	Very high	95.4	Very high	34 Å²	34	67 Å²	67	35%	0.351	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	20.2	-178.4	0	0	0	0	0	114.4	L69 E70 R71 K75 H92	L69-G73 PolarHBondContact O-N 3.34Å; E70-G73 PolarHBondContact O-N 3.44Å; R71-G73 VanDerWaalsContact C-N 3.33Å; G73-K75 PolarHBondContact O-N 3.02Å; G73-H92 PolarHBondContact O-CD2 3.41Å
74	Y	98.4	Very high	95.7	Very high	13 Å²	13	71 Å²	71	5%	0.051	35%	0.353	C	S	.	.			trans	-79.9	111.8	178.7	-177.1	-96.2	0	0	0	110.6	L69 I72 K76 S77 D88 I89 H92	L69-Y74 HydrophobicContact CD1-CD1 4.46Å; L69-Y74 HydrophobicContact CD2-CD1 3.79Å; L69-Y74 HydrophobicContact CD2-CG 4.27Å; L69-Y74 PolarHBondContact O-N 3.25Å; I72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-K76 HydrophobicContact CE1-CB 4.24Å; Y74-K76 WeakPolarHBondContact CE1-O 3.42Å; Y74-K76 HydrophobicContact CE2-CB 3.86Å; Y74-K76 HydrophobicContact CE2-CD 4.38Å; Y74-K76 HydrophobicContact CE2-CG 4.44Å; Y74-S77 PolarHBondContact OH-O 3.48Å; Y74-D88 HydrophobicContact CD2-CB 4.34Å; Y74-D88 HydrophobicContact CE2-CB 3.71Å; Y74-I89 HydrophobicContact CD1-CD1 3.75Å; Y74-I89 HydrophobicContact CD2-CD1 3.81Å; Y74-I89 HydrophobicContact CE1-CD1 3.92Å; Y74-I89 HydrophobicContact CE2-CD1 4Å; Y74-I89 HydrophobicContact CE2-CG1 4.46Å; Y74-I89 HydrophobicContact CG-CD1 3.67Å; Y74-H92 AromaticContact CD2-CE1 3.95Å; Y74-H92 AromaticContact CD2-ND1 3.82Å
75	K	96.1	Very high	96	Very high	198 Å²	198	68.6 Å²	68.6	86%	0.861	34%	0.341	S	S	*	.			trans	-115.1	1.3	-177	-60.6	-179.1	-178	-179.8	0	114	G73	G73-K75 PolarHBondContact O-N 3.02Å
76	K	93.9	Very high	96.1	Very high	111 Å²	111	67.7 Å²	67.7	48%	0.483	34%	0.336	S	S	.	.	S	Bend	trans	-79	166	179.1	-64.3	-178.6	-175.9	179.2	0	110.4	Y74 D88	Y74-K76 HydrophobicContact CE1-CB 4.24Å; Y74-K76 WeakPolarHBondContact CE1-O 3.42Å; Y74-K76 HydrophobicContact CE2-CB 3.86Å; Y74-K76 HydrophobicContact CE2-CD 4.38Å; Y74-K76 HydrophobicContact CE2-CG 4.44Å; K76-D88 VanDerWaalsContact CD-OD2 3.26Å; K76-D88 WeakPolarHBondContact CD-OD2 3.32Å; K76-D88 WeakPolarHBondContact CE-OD2 3.48Å; K76-D88 VanDerWaalsContact NZ-CG 3.29Å; K76-D88 IonicContact NZ-OD1 3.16Å; K76-D88 PolarHBondContact NZ-OD1 3.3Å; K76-D88 VanDerWaalsContact NZ-OD1 3.16Å; K76-D88 IonicContact NZ-OD2 2.68Å; K76-D88 PolarHBondContact NZ-OD2 3.41Å
77	S	87.1	Confident	96.2	Very high	76 Å²	76	64.1 Å²	64.1	53%	0.531	32%	0.321	S	S	.	.			trans	-65.7	150.2	174.7	-168.1	0	0	0	0	111.1	Y74 N79	Y74-S77 PolarHBondContact OH-O 3.48Å; S77-N79 PolarHBondContact OG-OD1 3Å
78	R	85.9	Confident	96.2	Very high	104 Å²	104	63.7 Å²	63.7	39%	0.392	32%	0.315	S	S	.	.			trans	-116.5	25	176.3	62	-179.5	175.8	98.1	-8.4	112.5	E66 K80 M144	E66-R78 IonicContact OE1-CZ 3.54Å; E66-R78 IonicContact OE1-NE 3.44Å; E66-R78 PolarHBondContact OE1-NE 3.39Å; E66-R78 IonicContact OE1-NH2 2.81Å; E66-R78 PolarHBondContact OE1-NH2 2.89Å; R78-K80 PolarHBondContact O-N 3.46Å; R78-M144 HydrophobicContact CB-CE 3.98Å
79	N	86.9	Confident	96.3	Very high	128 Å²	128	63.7 Å²	63.7	68%	0.684	32%	0.315	S	S	*	.			trans	-76.9	-9.7	-175.4	65.3	-25.6	0	0	0	113.8	S77	S77-N79 PolarHBondContact OG-OD1 3Å
80	K	94.1	Very high	96.3	Very high	121 Å²	121	63.4 Å²	63.4	53%	0.526	31%	0.313	S	S	.	.			trans	-118.6	140.9	176.5	-63.1	-177.8	-178.7	-179.3	0	109.8	R78 D82 T85	R78-K80 PolarHBondContact O-N 3.46Å; K80-D82 WeakPolarHBondContact CB-OD2 3.46Å; K80-D82 VanDerWaalsContact CD-OD2 3.27Å; K80-D82 WeakPolarHBondContact CD-OD2 3.43Å; K80-T85 WeakPolarHBondContact O-CB 3.46Å; K80-T85 WeakPolarHBondContact O-CG2 3.37Å; K80-T85 PolarHBondContact O-OG1 3Å
81	L	97.1	Very high	96.3	Very high	73 Å²	73	57.6 Å²	57.6	38%	0.382	29%	0.286	S	S	.	.			trans	-107.1	57.9	174.3	-60.5	177.6	0	0	0	109.1	M144 F146	L81-M144 HydrophobicContact CD2-CB 4.42Å; L81-M144 WeakPolarHBondContact CD2-O 3.33Å; L81-F146 VanDerWaalsContact C-CE1 3.49Å; L81-F146 HydrophobicContact CB-CD1 4.29Å; L81-F146 HydrophobicContact CB-CE1 3.96Å; L81-F146 HydrophobicContact CB-CZ 4.22Å; L81-F146 HydrophobicContact CD2-CD2 3.99Å; L81-F146 HydrophobicContact CD2-CE1 4.44Å; L81-F146 HydrophobicContact CD2-CE2 3.8Å; L81-F146 HydrophobicContact CD2-CG 4.4Å; L81-F146 HydrophobicContact CD2-CZ 4.04Å
82	D	98.2	Very high	96.3	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.214	29%	0.29	C	S	.	.	S	Bend	trans	-108.9	173.1	-177.1	58.6	19.2	0	0	0	112.1	K80 E84 T85 L86	K80-D82 WeakPolarHBondContact CB-OD2 3.46Å; K80-D82 VanDerWaalsContact CD-OD2 3.27Å; K80-D82 WeakPolarHBondContact CD-OD2 3.43Å; D82-E84 PolarHBondContact O-N 3.44Å; D82-T85 PolarHBondContact O-N 3.1Å; D82-T85 VanDerWaalsContact OD1-CB 3.31Å; D82-T85 WeakPolarHBondContact OD1-CB 3.25Å; D82-T85 PolarHBondContact OD1-N 2.89Å; D82-T85 PolarHBondContact OD1-OG1 3.21Å; D82-L86 PolarHBondContact O-N 2.93Å
83	L	98.6	Very high	96.3	Very high	64 Å²	64	58 Å²	58	34%	0.335	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-31.5	-179.5	-179.4	62.2	0	0	0	112.4	L86 T87 I176 Y181 P196	L83-L86 HydrophobicContact CD1-CD2 4.4Å; L83-T87 VanDerWaalsContact O-CB 3.25Å; L83-T87 WeakPolarHBondContact O-CB 3.48Å; L83-T87 PolarHBondContact O-N 3.03Å; L83-T87 PolarHBondContact O-OG1 3.12Å; L83-I176 HydrophobicContact CB-CD1 4.46Å; L83-Y181 HydrophobicContact CD1-CD1 3.9Å; L83-Y181 HydrophobicContact CD1-CD2 4.45Å; L83-Y181 HydrophobicContact CD1-CE1 3.73Å; L83-Y181 HydrophobicContact CD1-CE2 4.29Å; L83-Y181 HydrophobicContact CD1-CG 4.27Å; L83-Y181 HydrophobicContact CD2-CE1 3.88Å; L83-Y181 HydrophobicContact CG-CE1 4.43Å; L83-P196 HydrophobicContact CD1-CB 4.02Å; L83-P196 HydrophobicContact CD1-CG 3.97Å
84	E	98.4	Very high	96.3	Very high	129 Å²	129	56.7 Å²	56.7	60%	0.603	27%	0.273	S	S	*	.	H	α-helix	trans	-63.4	-49.8	176.5	-175.4	178.9	-178.2	0	0	110.4	D82 L86 T87 D88	D82-E84 PolarHBondContact O-N 3.44Å; E84-L86 PolarHBondContact O-N 3.39Å; E84-T87 PolarHBondContact O-N 3.36Å; E84-D88 PolarHBondContact O-N 2.63Å
85	T	98.6	Very high	96.4	Very high	10 Å²	10	59.5 Å²	59.5	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-44.2	177.4	-54.8	0	0	0	0	111.5	K80 D82 T87 D88 I89 M144 F146	K80-T85 WeakPolarHBondContact O-CB 3.46Å; K80-T85 WeakPolarHBondContact O-CG2 3.37Å; K80-T85 PolarHBondContact O-OG1 3Å; D82-T85 PolarHBondContact O-N 3.1Å; D82-T85 VanDerWaalsContact OD1-CB 3.31Å; D82-T85 WeakPolarHBondContact OD1-CB 3.25Å; D82-T85 PolarHBondContact OD1-N 2.89Å; D82-T85 PolarHBondContact OD1-OG1 3.21Å; T85-T87 VanDerWaalsContact C-N 3.33Å; T85-T87 PolarHBondContact O-N 3.02Å; T85-D88 PolarHBondContact O-N 3.39Å; T85-I89 WeakPolarHBondContact O-CG1 3.41Å; T85-I89 PolarHBondContact O-N 3.16Å; T85-M144 HydrophobicContact CG2-CE 3.97Å; T85-F146 HydrophobicContact CG2-CE2 4.44Å; T85-F146 HydrophobicContact CG2-CZ 4.31Å
86	L	98.8	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.6	-44.4	176.1	179	63.1	0	0	0	111.8	D82 L83 E84 I89 L90 L141 F146 V174 I176 V183 P196	D82-L86 PolarHBondContact O-N 2.93Å; L83-L86 HydrophobicContact CD1-CD2 4.4Å; E84-L86 PolarHBondContact O-N 3.39Å; L86-I89 PolarHBondContact O-N 3.06Å; L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 PolarHBondContact O-N 2.87Å; L86-L141 HydrophobicContact CD1-CD1 3.69Å; L86-L141 HydrophobicContact CD1-CD2 3.63Å; L86-L141 HydrophobicContact CD1-CG 4.32Å; L86-F146 HydrophobicContact CB-CE1 4.12Å; L86-F146 HydrophobicContact CB-CZ 4Å; L86-V174 HydrophobicContact CD1-CG1 4.38Å; L86-V174 HydrophobicContact CD1-CG2 4.09Å; L86-V174 HydrophobicContact CD2-CB 3.93Å; L86-V174 HydrophobicContact CD2-CG1 3.88Å; L86-V174 HydrophobicContact CD2-CG2 4.28Å; L86-I176 HydrophobicContact CB-CD1 4.2Å; L86-I176 HydrophobicContact CD2-CD1 3.83Å; L86-V183 HydrophobicContact CD1-CG2 4.13Å; L86-V183 HydrophobicContact CD2-CG2 3.87Å; L86-V183 HydrophobicContact CG-CG2 4.25Å; L86-P196 HydrophobicContact CB-CG 4.45Å; L86-P196 HydrophobicContact CD2-CB 3.97Å; L86-P196 HydrophobicContact CD2-CG 3.61Å; L86-P196 HydrophobicContact CG-CG 3.65Å
87	T	98.9	Very high	96.7	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.123	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-45.9	178.4	-60.1	0	0	0	0	111.1	L83 E84 T85 I89 L90 Q91 Q195 P196	L83-T87 VanDerWaalsContact O-CB 3.25Å; L83-T87 WeakPolarHBondContact O-CB 3.48Å; L83-T87 PolarHBondContact O-N 3.03Å; L83-T87 PolarHBondContact O-OG1 3.12Å; E84-T87 PolarHBondContact O-N 3.36Å; T85-T87 VanDerWaalsContact C-N 3.33Å; T85-T87 PolarHBondContact O-N 3.02Å; T87-I89 PolarHBondContact O-N 2.87Å; T87-L90 PolarHBondContact O-N 2.9Å; T87-Q91 HydrophobicContact CG2-CG 4.29Å; T87-Q91 VanDerWaalsContact O-CB 3.26Å; T87-Q91 WeakPolarHBondContact O-CB 3.03Å; T87-Q91 VanDerWaalsContact O-CG 3.25Å; T87-Q91 WeakPolarHBondContact O-CG 3.31Å; T87-Q91 PolarHBondContact O-N 3.17Å; T87-Q195 HydrophobicContact CG2-CB 4.2Å; T87-Q195 HydrophobicContact CG2-CG 3.89Å; T87-P196 WeakPolarHBondContact OG1-CD 3.38Å
88	D	98.7	Very high	97.3	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-44.5	178.9	-85	-28.8	0	0	0	111.6	Y74 K76 E84 T85 Q91 H92	Y74-D88 HydrophobicContact CD2-CB 4.34Å; Y74-D88 HydrophobicContact CE2-CB 3.71Å; K76-D88 VanDerWaalsContact CD-OD2 3.26Å; K76-D88 WeakPolarHBondContact CD-OD2 3.32Å; K76-D88 WeakPolarHBondContact CE-OD2 3.48Å; K76-D88 VanDerWaalsContact NZ-CG 3.29Å; K76-D88 IonicContact NZ-OD1 3.16Å; K76-D88 PolarHBondContact NZ-OD1 3.3Å; K76-D88 VanDerWaalsContact NZ-OD1 3.16Å; K76-D88 IonicContact NZ-OD2 2.68Å; K76-D88 PolarHBondContact NZ-OD2 3.41Å; E84-D88 PolarHBondContact O-N 2.63Å; T85-D88 PolarHBondContact O-N 3.39Å; D88-Q91 PolarHBondContact O-N 3.34Å; D88-H92 WeakPolarHBondContact O-CB 3.34Å; D88-H92 PolarHBondContact O-N 3.28Å; D88-H92 PolarHBondContact O-ND1 3.06Å
89	I	98.8	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-49.5	178.2	-67.6	-68.1	0	0	0	110.9	L69 I72 Y74 T85 L86 T87 Q91 H92 Q93 L137 L141 M144	L69-I89 HydrophobicContact CD2-CD1 3.63Å; I72-I89 HydrophobicContact CD1-CD1 4.19Å; I72-I89 HydrophobicContact CD1-CG2 4.37Å; Y74-I89 HydrophobicContact CD1-CD1 3.75Å; Y74-I89 HydrophobicContact CD2-CD1 3.81Å; Y74-I89 HydrophobicContact CE1-CD1 3.92Å; Y74-I89 HydrophobicContact CE2-CD1 4Å; Y74-I89 HydrophobicContact CE2-CG1 4.46Å; Y74-I89 HydrophobicContact CG-CD1 3.67Å; T85-I89 WeakPolarHBondContact O-CG1 3.41Å; T85-I89 PolarHBondContact O-N 3.16Å; L86-I89 PolarHBondContact O-N 3.06Å; T87-I89 PolarHBondContact O-N 2.87Å; I89-Q91 VanDerWaalsContact C-N 3.29Å; I89-Q91 PolarHBondContact O-N 2.88Å; I89-H92 PolarHBondContact O-N 3.35Å; I89-Q93 PolarHBondContact O-N 2.99Å; I89-L137 HydrophobicContact CG2-CD1 3.94Å; I89-L141 HydrophobicContact CB-CD2 4.43Å; I89-L141 HydrophobicContact CG2-CD2 3.96Å; I89-M144 HydrophobicContact CD1-CE 4Å; I89-M144 HydrophobicContact CD1-SD 4.06Å; I89-M144 HydrophobicContact CG1-CE 3.89Å; I89-M144 HydrophobicContact CG1-SD 4.12Å
90	L	98.9	Very high	98.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-53.7	-50.2	176.2	171	63.2	0	0	0	110.6	L86 T87 H92 Q93 I94 L137 V183 A185 M193 P196	L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 PolarHBondContact O-N 2.87Å; T87-L90 PolarHBondContact O-N 2.9Å; L90-H92 PolarHBondContact O-N 2.92Å; L90-Q93 PolarHBondContact O-N 3.24Å; L90-I94 HydrophobicContact CD1-CG2 3.88Å; L90-I94 WeakPolarHBondContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG2 3.42Å; L90-I94 PolarHBondContact O-N 3.12Å; L90-L137 HydrophobicContact CD1-CD2 4.39Å; L90-V183 HydrophobicContact CB-CG1 4.5Å; L90-V183 HydrophobicContact CD1-CG1 4.02Å; L90-V183 HydrophobicContact CD2-CG1 4.31Å; L90-V183 HydrophobicContact CG-CG1 4.5Å; L90-A185 HydrophobicContact CD1-CB 3.9Å; L90-M193 HydrophobicContact CD2-CG 4.32Å; L90-P196 HydrophobicContact CD2-CG 4.36Å
91	Q	98.9	Very high	98.7	Very high	38 Å²	38	26 Å²	26	18%	0.178	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-38.9	-177.8	-80.7	-168.6	14	0	0	113.7	T87 D88 I89 I94 R95 W194	T87-Q91 HydrophobicContact CG2-CG 4.29Å; T87-Q91 VanDerWaalsContact O-CB 3.26Å; T87-Q91 WeakPolarHBondContact O-CB 3.03Å; T87-Q91 VanDerWaalsContact O-CG 3.25Å; T87-Q91 WeakPolarHBondContact O-CG 3.31Å; T87-Q91 PolarHBondContact O-N 3.17Å; D88-Q91 PolarHBondContact O-N 3.34Å; I89-Q91 VanDerWaalsContact C-N 3.29Å; I89-Q91 PolarHBondContact O-N 2.88Å; Q91-I94 WeakPolarHBondContact O-CG1 3.25Å; Q91-R95 WeakPolarHBondContact O-CB 3.45Å; Q91-R95 VanDerWaalsContact O-CG 3.29Å; Q91-R95 WeakPolarHBondContact O-CG 3.26Å; Q91-R95 VanDerWaalsContact O-CZ 3.26Å; Q91-R95 PolarHBondContact O-N 3.47Å; Q91-R95 PolarHBondContact O-NE 3.05Å; Q91-R95 VanDerWaalsContact OE1-NH1 3.16Å; Q91-W194 WeakPolarHBondContact CG-O 3.35Å; Q91-W194 PolarHBondContact NE2-O 3.11Å
92	H	98.9	Very high	98.8	Very high	37 Å²	37	22.6 Å²	22.6	17%	0.171	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-43.3	174.4	-78.6	78.4	0	0	0	110.6	I72 G73 Y74 D88 I89 L90 R95 A96	I72-H92 HydrophobicContact CB-CB 4.08Å; I72-H92 HydrophobicContact CD1-CB 3.83Å; I72-H92 HydrophobicContact CG1-CB 3.98Å; I72-H92 WeakPolarHBondContact O-CB 3.25Å; G73-H92 PolarHBondContact O-CD2 3.41Å; Y74-H92 AromaticContact CD2-CE1 3.95Å; Y74-H92 AromaticContact CD2-ND1 3.82Å; D88-H92 WeakPolarHBondContact O-CB 3.34Å; D88-H92 PolarHBondContact O-N 3.28Å; D88-H92 PolarHBondContact O-ND1 3.06Å; I89-H92 PolarHBondContact O-N 3.35Å; L90-H92 PolarHBondContact O-N 2.92Å; H92-R95 PolarHBondContact O-N 2.94Å; H92-A96 VanDerWaalsContact O-CB 3.24Å; H92-A96 WeakPolarHBondContact O-CB 3.34Å; H92-A96 PolarHBondContact O-N 3.36Å; H92-A96 VanDerWaalsContact O-N 3.12Å
93	Q	98.9	Very high	98.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-51.6	177.6	-175	172.7	-55.2	0	0	111.9	Y68 I72 I89 L90 R95 A96 V97 V133 A185	Y68-Q93 PolarHBondContact OH-OE1 2.94Å; I72-Q93 HydrophobicContact CG2-CB 4.12Å; I72-Q93 HydrophobicContact CG2-CG 4.34Å; I89-Q93 PolarHBondContact O-N 2.99Å; L90-Q93 PolarHBondContact O-N 3.24Å; Q93-R95 PolarHBondContact O-N 2.79Å; Q93-R95 VanDerWaalsContact O-N 3.13Å; Q93-A96 PolarHBondContact O-N 3.08Å; Q93-V97 HydrophobicContact CG-CB 4.01Å; Q93-V97 HydrophobicContact CG-CG2 4.02Å; Q93-V97 PolarHBondContact O-N 3.05Å; Q93-V133 PolarHBondContact NE2-O 3.08Å; Q93-A185 HydrophobicContact CG-CB 4.42Å
94	I	98.9	Very high	98.8	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.031	9%	0.094	C	C	.	.	H	α-helix	trans	-66	-18.3	-176.6	67.1	-176	0	0	0	113.8	L90 Q91 A185 Q192 W194 Q288	L90-I94 HydrophobicContact CD1-CG2 3.88Å; L90-I94 WeakPolarHBondContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG2 3.42Å; L90-I94 PolarHBondContact O-N 3.12Å; Q91-I94 WeakPolarHBondContact O-CG1 3.25Å; I94-A185 HydrophobicContact CG2-CB 3.69Å; I94-Q192 HydrophobicContact CB-CG 4.39Å; I94-Q192 HydrophobicContact CD1-CG 4.33Å; I94-Q192 HydrophobicContact CG2-CG 4.2Å; I94-W194 HydrophobicContact CD1-CG 4.21Å; I94-Q288 HydrophobicContact CB-CB 4.36Å; I94-Q288 HydrophobicContact CB-CG 3.84Å; I94-Q288 HydrophobicContact CD1-CB 4.47Å; I94-Q288 HydrophobicContact CD1-CG 4.09Å; I94-Q288 HydrophobicContact CG1-CB 4.11Å; I94-Q288 HydrophobicContact CG1-CG 3.94Å; I94-Q288 VanDerWaalsContact O-CB 3.31Å; I94-Q288 WeakPolarHBondContact O-CB 3.39Å; I94-Q288 WeakPolarHBondContact O-CG 3.19Å; I94-Q288 PolarHBondContact O-N 3.01Å
95	R	98.9	Very high	98.8	Very high	72 Å²	72	14 Å²	14	27%	0.272	7%	0.069	S	C	.	.	H	α-helix	trans	-93.8	-11.3	174.9	-69.5	-172.2	-65	-108.5	2	113.9	Q91 H92 Q93 Q288	Q91-R95 WeakPolarHBondContact O-CB 3.45Å; Q91-R95 VanDerWaalsContact O-CG 3.29Å; Q91-R95 WeakPolarHBondContact O-CG 3.26Å; Q91-R95 VanDerWaalsContact O-CZ 3.26Å; Q91-R95 PolarHBondContact O-N 3.47Å; Q91-R95 PolarHBondContact O-NE 3.05Å; Q91-R95 VanDerWaalsContact OE1-NH1 3.16Å; H92-R95 PolarHBondContact O-N 2.94Å; Q93-R95 PolarHBondContact O-N 2.79Å; Q93-R95 VanDerWaalsContact O-N 3.13Å; R95-Q288 WeakPolarHBondContact CA-O 3.48Å; R95-Q288 HydrophobicContact CG-CB 4.18Å
96	A	98.9	Very high	98.8	Very high	19 Å²	19	13.9 Å²	13.9	16%	0.157	7%	0.069	C	C	.	.	H	α-helix	trans	-116.8	-34.6	-177	0	0	0	0	0	113.5	R71 I72 H92 Q93	R71-A96 VanDerWaalsContact CZ-O 3.24Å; R71-A96 PolarHBondContact NH1-O 2.97Å; R71-A96 PolarHBondContact NH2-O 3.3Å; I72-A96 HydrophobicContact CB-CB 4.25Å; H92-A96 VanDerWaalsContact O-CB 3.24Å; H92-A96 WeakPolarHBondContact O-CB 3.34Å; H92-A96 PolarHBondContact O-N 3.36Å; H92-A96 VanDerWaalsContact O-N 3.12Å; Q93-A96 PolarHBondContact O-N 3.08Å
97	V	98.9	Very high	98.8	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.03	10%	0.095	C	C	.	.	S	Bend	trans	-108.8	109.3	-174.7	-180	0	0	0	0	108.8	I72 Q93 V121 V133	I72-V97 HydrophobicContact CG2-CG2 4.12Å; Q93-V97 HydrophobicContact CG-CB 4.01Å; Q93-V97 HydrophobicContact CG-CG2 4.02Å; Q93-V97 PolarHBondContact O-N 3.05Å; V97-V121 HydrophobicContact CB-CG1 4.36Å; V97-V121 HydrophobicContact CG1-CG1 3.58Å; V97-V121 HydrophobicContact CG2-CG1 3.78Å; V97-V133 HydrophobicContact CG1-CG1 3.77Å
98	P	98.9	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.			trans	-67.5	146.7	-178.5	-19	29.9	0	0	0	113.2	E100 G127 G128 C285 S286 L287 F333 V335	P98-E100 HydrophobicContact CB-CB 4.5Å; P98-E100 HydrophobicContact CB-CG 4.45Å; P98-E100 PolarHBondContact O-N 2.93Å; P98-G127 WeakPolarHBondContact O-CA 3.48Å; P98-G128 PolarHBondContact O-N 3.16Å; P98-G128 VanDerWaalsContact O-N 3.11Å; P98-C285 WeakPolarHBondContact CB-SG 3.46Å; P98-S286 CarbonylContact C-O 3.59Å; P98-S286 VanDerWaalsContact CA-O 3.23Å; P98-S286 WeakPolarHBondContact CA-O 3.44Å; P98-L287 HydrophobicContact CB-CD1 4.36Å; P98-L287 HydrophobicContact CG-CD1 4.07Å; P98-F333 HydrophobicContact CG-CB 4.27Å; P98-V335 HydrophobicContact CG-CG2 4.01Å
99	F	98.9	Very high	98.7	Very high	11 Å²	11	19.4 Å²	19.4	5%	0.048	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.9	159.9	170.7	-102.8	0	0	0	108.7	G128 W129 G186 F279 F284 C285 S286 F350	F99-G128 WeakPolarHBondContact CA-O 3.3Å; F99-W129 HydrophobicContact CE2-CB 4.23Å; F99-G186 WeakPolarHBondContact CD2-O 3.22Å; F99-G186 WeakPolarHBondContact CE2-O 3.23Å; F99-F279 HydrophobicContact CZ-CE1 4.08Å; F99-F284 HydrophobicContact CD1-CD2 4.01Å; F99-F284 AromaticContact CD1-CE2 3.6Å; F99-F284 HydrophobicContact CD1-CE2 3.6Å; F99-F284 AromaticContact CE1-CD2 3.74Å; F99-F284 HydrophobicContact CE1-CD2 3.74Å; F99-F284 AromaticContact CE1-CE2 3.02Å; F99-F284 HydrophobicContact CE1-CE2 3.02Å; F99-F284 AromaticContact CE1-CZ 3.59Å; F99-F284 HydrophobicContact CE1-CZ 3.59Å; F99-F284 HydrophobicContact CE2-CE2 4.37Å; F99-F284 HydrophobicContact CG-CE2 4.46Å; F99-F284 AromaticContact CZ-CE2 3.51Å; F99-F284 HydrophobicContact CZ-CE2 3.51Å; F99-F284 AromaticContact CZ-CZ 3.72Å; F99-F284 HydrophobicContact CZ-CZ 3.72Å; F99-C285 CarbonylContact O-C 3.47Å; F99-C285 WeakPolarHBondContact O-CA 3.4Å; F99-S286 PolarHBondContact N-O 3.1Å; F99-S286 PolarHBondContact O-N 2.97Å; F99-F350 HydrophobicContact CE1-CE2 4.4Å; F99-F350 HydrophobicContact CE1-CZ 4.35Å
100	E	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	162.1	-170.9	64.7	120.4	132.2	0	0	113.4	P98 L102 R126 G127 G128 W129 F284 C285	P98-E100 HydrophobicContact CB-CB 4.5Å; P98-E100 HydrophobicContact CB-CG 4.45Å; P98-E100 PolarHBondContact O-N 2.93Å; E100-L102 HydrophobicContact CB-CG 4.26Å; E100-L102 VanDerWaalsContact OE2-CB 3.26Å; E100-L102 WeakPolarHBondContact OE2-CB 3.31Å; E100-L102 WeakPolarHBondContact OE2-CG 3.43Å; E100-L102 PolarHBondContact OE2-N 3.48Å; E100-R126 VanDerWaalsContact CD-NH2 3.26Å; E100-R126 IonicContact OE1-CZ 3.72Å; E100-R126 VanDerWaalsContact OE1-CZ 3.23Å; E100-R126 IonicContact OE1-NE 2.82Å; E100-R126 PolarHBondContact OE1-NE 2.86Å; E100-R126 IonicContact OE1-NH2 2.75Å; E100-R126 PolarHBondContact OE1-NH2 2.69Å; E100-R126 IonicContact OE2-NH2 3.9Å; E100-R126 PolarHBondContact OE2-NH2 3.29Å; E100-G127 PolarHBondContact OE1-N 2.8Å; E100-G128 PolarHBondContact N-O 2.94Å; E100-G128 CarbonylContact O-C 3.43Å; E100-W129 PolarHBondContact O-N 3.33Å; E100-W129 VanDerWaalsContact O-N 3.11Å; E100-F284 WeakPolarHBondContact CA-O 3.24Å; E100-F284 WeakPolarHBondContact CB-O 3.45Å; E100-C285 HydrophobicContact CB-CB 4.01Å
101	N	98.8	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.			trans	-135.9	25.7	177.2	71.9	-26.4	0	0	0	112.6	N103 I104 H105 F279 K282 F284	N101-N103 VanDerWaalsContact C-N 3.25Å; N101-N103 PolarHBondContact O-N 3.26Å; N101-I104 HydrophobicContact CB-CD1 4.35Å; N101-I104 PolarHBondContact O-N 2.85Å; N101-H105 PolarHBondContact ND2-NE2 3.28Å; N101-H105 PolarHBondContact O-CD2 3.35Å; N101-F279 HydrophobicContact CB-CD1 4.12Å; N101-F279 WeakPolarHBondContact ND2-CA 3.36Å; N101-F279 PolarHBondContact ND2-O 2.86Å; N101-K282 PolarHBondContact ND2-O 2.96Å; N101-F284 HydrophobicContact CB-CE1 4.35Å; N101-F284 HydrophobicContact CB-CE2 4.2Å; N101-F284 HydrophobicContact CB-CZ 3.97Å; N101-F284 PolarHBondContact N-O 3.12Å; N101-F284 WeakPolarHBondContact ND2-CE1 3.43Å; N101-F284 PolarHBondContact OD1-N 2.85Å; N101-F284 PolarHBondContact OD1-O 2.82Å
102	L	98.8	Very high	98.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-28.1	-167.3	-56.8	174.5	0	0	0	112.3	E100 I104 H105 C106 C285 L329 V335 L337 L341	E100-L102 HydrophobicContact CB-CG 4.26Å; E100-L102 VanDerWaalsContact OE2-CB 3.26Å; E100-L102 WeakPolarHBondContact OE2-CB 3.31Å; E100-L102 WeakPolarHBondContact OE2-CG 3.43Å; E100-L102 PolarHBondContact OE2-N 3.48Å; L102-I104 VanDerWaalsContact C-N 3.27Å; L102-I104 PolarHBondContact O-N 2.68Å; L102-H105 CarbonylContact O-C 3.52Å; L102-H105 WeakPolarHBondContact O-CA 3.38Å; L102-H105 PolarHBondContact O-N 3.21Å; L102-C106 PolarHBondContact O-N 3.24Å; L102-C106 PolarHBondContact O-SG 3.45Å; L102-C106 VanDerWaalsContact O-SG 3.38Å; L102-C285 HydrophobicContact CD1-CB 4.22Å; L102-L329 HydrophobicContact CD1-CD1 4.3Å; L102-L329 HydrophobicContact CD1-CD2 3.71Å; L102-V335 HydrophobicContact CD1-CG1 4Å; L102-L337 HydrophobicContact CB-CD2 4.18Å; L102-L337 HydrophobicContact CD1-CD2 4.18Å; L102-L341 HydrophobicContact CB-CD1 4.36Å; L102-L341 HydrophobicContact CD2-CD1 4.09Å; L102-L341 HydrophobicContact CD2-CD2 4.12Å
103	N	98.8	Very high	98.6	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-52.9	-45.2	174.5	-76.8	11.2	0	0	0	111.6	N101 H105 C106 G107 E108 A109 M110 Q120 R126	N101-N103 VanDerWaalsContact C-N 3.25Å; N101-N103 PolarHBondContact O-N 3.26Å; N103-H105 PolarHBondContact O-N 3.37Å; N103-C106 CarbonylContact O-C 3.47Å; N103-C106 WeakPolarHBondContact O-CA 3.5Å; N103-C106 WeakPolarHBondContact O-CB 3.26Å; N103-C106 PolarHBondContact O-N 3.38Å; N103-G107 PolarHBondContact O-N 3.25Å; N103-G107 VanDerWaalsContact O-N 3.08Å; N103-E108 CarbonylContact C-O 3.59Å; N103-E108 VanDerWaalsContact C-O 3.28Å; N103-E108 HydrophobicContact CB-CB 3.83Å; N103-E108 WeakPolarHBondContact O-CA 3.17Å; N103-E108 PolarHBondContact O-N 3.22Å; N103-A109 PolarHBondContact ND2-O 3.42Å; N103-A109 VanDerWaalsContact ND2-O 3.08Å; N103-M110 HydrophobicContact CB-SD 3.76Å; N103-Q120 PolarHBondContact ND2-OE1 2.88Å; N103-R126 VanDerWaalsContact OD1-CZ 3.27Å; N103-R126 PolarHBondContact OD1-NH1 3.4Å; N103-R126 PolarHBondContact OD1-NH2 2.91Å
104	I	98.7	Very high	98.6	Very high	30 Å²	30	24 Å²	24	15%	0.154	15%	0.153	C	C	.	.	H	α-helix	trans	-55.8	-40.3	178.6	-66.5	168.3	0	0	0	110.7	N101 L102 C106 G107 M110 W129 Q272 F279 T280	N101-I104 HydrophobicContact CB-CD1 4.35Å; N101-I104 PolarHBondContact O-N 2.85Å; L102-I104 VanDerWaalsContact C-N 3.27Å; L102-I104 PolarHBondContact O-N 2.68Å; I104-C106 VanDerWaalsContact C-N 3.34Å; I104-G107 PolarHBondContact O-N 3.16Å; I104-M110 HydrophobicContact CD1-CG 3.69Å; I104-M110 HydrophobicContact CD1-SD 4.36Å; I104-M110 HydrophobicContact CG1-CG 3.6Å; I104-M110 HydrophobicContact CG1-SD 4.12Å; I104-W129 HydrophobicContact CD1-CZ3 4.17Å; I104-Q272 HydrophobicContact CD1-CB 3.76Å; I104-Q272 HydrophobicContact CG1-CB 4Å; I104-F279 HydrophobicContact CD1-CB 3.95Å; I104-T280 HydrophobicContact CG2-CG2 4.48Å
105	H	98.7	Very high	98.6	Very high	17 Å²	17	28.9 Å²	28.9	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-88.3	-2.8	-177.4	-58	-82.6	0	0	0	113.5	N101 L102 N103 F279 K282 S283 L341 I342	N101-H105 PolarHBondContact ND2-NE2 3.28Å; N101-H105 PolarHBondContact O-CD2 3.35Å; L102-H105 CarbonylContact O-C 3.52Å; L102-H105 WeakPolarHBondContact O-CA 3.38Å; L102-H105 PolarHBondContact O-N 3.21Å; N103-H105 PolarHBondContact O-N 3.37Å; H105-F279 PolarHBondContact NE2-O 2.99Å; H105-K282 PolarHBondContact NE2-O 2.79Å; H105-K282 VanDerWaalsContact NE2-O 3.09Å; H105-S283 VanDerWaalsContact CD2-CA 3.47Å; H105-S283 WeakPolarHBondContact CD2-CA 3.37Å; H105-S283 VanDerWaalsContact CD2-CB 3.44Å; H105-S283 WeakPolarHBondContact CD2-CB 3.27Å; H105-S283 VanDerWaalsContact CG-CB 3.47Å; H105-S283 WeakPolarHBondContact NE2-CA 3.46Å; H105-S283 PolarHBondContact NE2-N 2.93Å; H105-L341 HydrophobicContact CB-CD1 3.54Å; H105-I342 PolarHBondContact O-N 3.46Å
106	C	98.5	Very high	98.6	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.054	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-1	165.8	-69.5	0	0	0	0	112.3	L102 N103 I104 E108 R339	L102-C106 PolarHBondContact O-N 3.24Å; L102-C106 PolarHBondContact O-SG 3.45Å; L102-C106 VanDerWaalsContact O-SG 3.38Å; N103-C106 CarbonylContact O-C 3.47Å; N103-C106 WeakPolarHBondContact O-CA 3.5Å; N103-C106 WeakPolarHBondContact O-CB 3.26Å; N103-C106 PolarHBondContact O-N 3.38Å; I104-C106 VanDerWaalsContact C-N 3.34Å; C106-E108 HydrophobicContact CB-CG 4.15Å; C106-E108 WeakPolarHBondContact CB-OE2 3.33Å; C106-R339 HydrophobicContact CB-CB 4.18Å; C106-R339 VanDerWaalsContact O-CZ 3.28Å; C106-R339 PolarHBondContact O-NE 3.47Å; C106-R339 PolarHBondContact O-NH1 3.3Å
107	G	97.9	Very high	98.6	Very high	54 Å²	54	26.3 Å²	26.3	56%	0.557	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	32.7	-175.2	0	0	0	0	0	113.3	N103 I104 R339	N103-G107 PolarHBondContact O-N 3.25Å; N103-G107 VanDerWaalsContact O-N 3.08Å; I104-G107 PolarHBondContact O-N 3.16Å; G107-R339 PolarHBondContact O-NH1 2.9Å
108	E	98.1	Very high	98.5	Very high	52 Å²	52	26.1 Å²	26.1	24%	0.243	17%	0.168	C	C	.	.			trans	-117.3	156	179.7	-58.5	179.8	108.3	0	0	110.2	N103 C106	N103-E108 CarbonylContact C-O 3.59Å; N103-E108 VanDerWaalsContact C-O 3.28Å; N103-E108 HydrophobicContact CB-CB 3.83Å; N103-E108 WeakPolarHBondContact O-CA 3.17Å; N103-E108 PolarHBondContact O-N 3.22Å; C106-E108 HydrophobicContact CB-CG 4.15Å; C106-E108 WeakPolarHBondContact CB-OE2 3.33Å
109	A	98	Very high	98.5	Very high	50 Å²	50	28 Å²	28	41%	0.413	18%	0.179	S	C	.	.			trans	-76.8	156.1	-179.1	0	0	0	0	0	112.2	N103	N103-A109 PolarHBondContact ND2-O 3.42Å; N103-A109 VanDerWaalsContact ND2-O 3.08Å
110	M	98.6	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.18	C	C	.	.			trans	-94.9	92.7	161.7	-59.6	-63.9	-73.4	0	0	108	N103 I104 W129 N268 Q272	N103-M110 HydrophobicContact CB-SD 3.76Å; I104-M110 HydrophobicContact CD1-CG 3.69Å; I104-M110 HydrophobicContact CD1-SD 4.36Å; I104-M110 HydrophobicContact CG1-CG 3.6Å; I104-M110 HydrophobicContact CG1-SD 4.12Å; M110-W129 HydrophobicContact CB-CD2 4.39Å; M110-W129 HydrophobicContact CB-CH2 3.9Å; M110-W129 HydrophobicContact CB-CZ2 3.27Å; M110-W129 HydrophobicContact CE-CB 3.93Å; M110-W129 HydrophobicContact CE-CD2 3.59Å; M110-W129 HydrophobicContact CE-CE3 4.2Å; M110-W129 HydrophobicContact CE-CG 3.44Å; M110-W129 VanDerWaalsContact CE-CG 3.44Å; M110-W129 HydrophobicContact CG-CD2 4.31Å; M110-W129 HydrophobicContact CG-CE3 4.46Å; M110-W129 HydrophobicContact CG-CH2 4Å; M110-W129 HydrophobicContact CG-CZ2 3.79Å; M110-W129 HydrophobicContact CG-CZ3 4.32Å; M110-N268 PolarHBondContact O-ND2 3.03Å; M110-N268 PolarHBondContact O-OD1 3.31Å; M110-Q272 HydrophobicContact CG-CB 4.46Å
111	D	98.5	Very high	98.5	Very high	74 Å²	74	28.3 Å²	28.3	40%	0.396	18%	0.18	S	C	.	.			trans	-67.7	140.2	-179.3	-66.5	-51.3	0	0	0	111.8	A116 Q132	D111-A116 HydrophobicContact CB-CB 3.78Å; D111-Q132 WeakPolarHBondContact O-CG 3.41Å; D111-Q132 PolarHBondContact O-NE2 3.07Å
112	L	98.4	Very high	98.5	Very high	23 Å²	23	28.9 Å²	28.9	12%	0.12	18%	0.184	C	C	.	.			trans	-98.9	-22.6	-180	-168.4	62.5	0	0	0	112.9	I117 L131 H135 I261 E265 N268	L112-I117 VanDerWaalsContact O-CD1 3.23Å; L112-I117 WeakPolarHBondContact O-CD1 3.11Å; L112-L131 HydrophobicContact CD1-CB 3.89Å; L112-L131 HydrophobicContact CD1-CD1 4.28Å; L112-H135 PolarHBondContact O-ND1 2.84Å; L112-I261 HydrophobicContact CD1-CD1 3.6Å; L112-I261 HydrophobicContact CD1-CG1 3.65Å; L112-I261 HydrophobicContact CD2-CG1 4.12Å; L112-I261 HydrophobicContact CG-CD1 4.19Å; L112-I261 HydrophobicContact CG-CG1 3.63Å; L112-E265 HydrophobicContact CD2-CB 4.18Å; L112-N268 HydrophobicContact CD1-CB 4.44Å; L112-N268 HydrophobicContact CD2-CB 4.12Å
113	G	98.3	Very high	98.4	Very high	44 Å²	44	34.7 Å²	34.7	45%	0.454	21%	0.206	S	C	.	.	S	Bend	trans	-68.1	131.2	-178.9	0	0	0	0	0	112.1	E115 A116 I117	G113-E115 VanDerWaalsContact C-N 3.32Å; G113-E115 PolarHBondContact O-N 3.04Å; G113-A116 PolarHBondContact O-N 2.68Å; G113-A116 VanDerWaalsContact O-N 3.15Å; G113-I117 WeakPolarHBondContact O-CG1 3.43Å; G113-I117 PolarHBondContact O-N 3.45Å
114	L	98.4	Very high	98.4	Very high	33 Å²	33	40.1 Å²	40.1	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-37.2	-172.5	-174.5	59.6	0	0	0	113.6	M63 I117 F118 W139	M63-L114 HydrophobicContact CE-CB 4.48Å; M63-L114 HydrophobicContact CE-CD2 3.8Å; M63-L114 HydrophobicContact CE-CG 3.93Å; M63-L114 HydrophobicContact SD-CB 4.43Å; M63-L114 HydrophobicContact SD-CD2 4.17Å; M63-L114 HydrophobicContact SD-CG 3.71Å; L114-I117 PolarHBondContact O-N 3.2Å; L114-F118 WeakPolarHBondContact O-CB 3.39Å; L114-F118 PolarHBondContact O-N 2.9Å; L114-W139 HydrophobicContact CD1-CB 3.92Å; L114-W139 HydrophobicContact CD1-CG 4.35Å; L114-W139 HydrophobicContact CD2-CB 3.7Å; L114-W139 HydrophobicContact CD2-CG 3.71Å; L114-W139 HydrophobicContact CG-CB 4.41Å; L114-W139 HydrophobicContact CG-CG 4.48Å
115	E	98.3	Very high	98.4	Very high	108 Å²	108	41.5 Å²	41.5	51%	0.505	23%	0.234	S	C	.	.	H	α-helix	trans	-64.8	-40.7	178.1	-66.5	-173.1	173.1	0	0	112.6	I62 M63 G113 F118 D119	I62-E115 HydrophobicContact CG2-CG 4.25Å; M63-E115 HydrophobicContact CE-CG 4Å; M63-E115 HydrophobicContact SD-CG 4.14Å; G113-E115 VanDerWaalsContact C-N 3.32Å; G113-E115 PolarHBondContact O-N 3.04Å; E115-F118 PolarHBondContact O-N 2.88Å; E115-D119 PolarHBondContact O-N 2.77Å
116	A	98.2	Very high	98.4	Very high	37 Å²	37	41.3 Å²	41.3	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-67.6	-42	176.2	0	0	0	0	0	111	D111 G113 F118 D119 Q120	D111-A116 HydrophobicContact CB-CB 3.78Å; G113-A116 PolarHBondContact O-N 2.68Å; G113-A116 VanDerWaalsContact O-N 3.15Å; A116-F118 PolarHBondContact O-N 2.92Å; A116-D119 PolarHBondContact O-N 2.72Å; A116-Q120 WeakPolarHBondContact O-CB 3.39Å; A116-Q120 PolarHBondContact O-N 3.48Å
117	I	98.8	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-46.9	174.2	-67.6	164.5	0	0	0	110.7	L112 G113 L114 Q120 V121 Q132 H135 L136	L112-I117 VanDerWaalsContact O-CD1 3.23Å; L112-I117 WeakPolarHBondContact O-CD1 3.11Å; G113-I117 WeakPolarHBondContact O-CG1 3.43Å; G113-I117 PolarHBondContact O-N 3.45Å; L114-I117 PolarHBondContact O-N 3.2Å; I117-Q120 PolarHBondContact O-N 3.27Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 WeakPolarHBondContact O-CB 3.42Å; I117-V121 WeakPolarHBondContact O-CG2 3.27Å; I117-V121 PolarHBondContact O-N 3.47Å; I117-Q132 HydrophobicContact CD1-CB 4.17Å; I117-Q132 HydrophobicContact CD1-CG 4.01Å; I117-Q132 HydrophobicContact CG1-CB 4.06Å; I117-Q132 HydrophobicContact CG1-CG 3.85Å; I117-Q132 HydrophobicContact CG2-CB 4.14Å; I117-Q132 WeakPolarHBondContact CG2-O 3.26Å; I117-H135 HydrophobicContact CD1-CB 4.31Å; I117-L136 HydrophobicContact CG2-CB 4Å
118	F	98.8	Very high	98.5	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-45.9	178.5	-176	-83.1	0	0	0	111	M63 D64 A67 L114 E115 A116 V122 L136 W139	M63-F118 HydrophobicContact CB-CD1 4.26Å; M63-F118 HydrophobicContact CB-CD2 3.85Å; M63-F118 HydrophobicContact CB-CE1 4.41Å; M63-F118 HydrophobicContact CB-CE2 4.01Å; M63-F118 HydrophobicContact CB-CG 3.99Å; M63-F118 HydrophobicContact CB-CZ 4.29Å; M63-F118 HydrophobicContact CG-CB 3.78Å; M63-F118 HydrophobicContact CG-CD1 3.88Å; M63-F118 HydrophobicContact CG-CD2 3.91Å; M63-F118 HydrophobicContact CG-CE1 4.47Å; M63-F118 HydrophobicContact CG-CE2 4.49Å; M63-F118 HydrophobicContact CG-CG 3.57Å; M63-F118 HydrophobicContact SD-CB 3.63Å; M63-F118 HydrophobicContact SD-CD2 4.24Å; M63-F118 HydrophobicContact SD-CG 4Å; D64-F118 WeakPolarHBondContact O-CZ 3.27Å; A67-F118 HydrophobicContact CB-CZ 4.15Å; L114-F118 WeakPolarHBondContact O-CB 3.39Å; L114-F118 PolarHBondContact O-N 2.9Å; E115-F118 PolarHBondContact O-N 2.88Å; A116-F118 PolarHBondContact O-N 2.92Å; F118-V122 HydrophobicContact CD1-CB 4.25Å; F118-V122 HydrophobicContact CD1-CG2 4.49Å; F118-V122 HydrophobicContact CD2-CB 4.38Å; F118-V122 HydrophobicContact CD2-CG2 3.78Å; F118-V122 HydrophobicContact CE1-CB 4.06Å; F118-V122 HydrophobicContact CE1-CG1 4.08Å; F118-V122 HydrophobicContact CE1-CG2 4.47Å; F118-V122 HydrophobicContact CE2-CB 4.19Å; F118-V122 HydrophobicContact CE2-CG1 4.23Å; F118-V122 HydrophobicContact CE2-CG2 3.75Å; F118-V122 HydrophobicContact CG-CB 4.39Å; F118-V122 HydrophobicContact CG-CG2 4.15Å; F118-V122 HydrophobicContact CZ-CB 4.03Å; F118-V122 HydrophobicContact CZ-CG1 3.79Å; F118-V122 HydrophobicContact CZ-CG2 4.11Å; F118-V122 WeakPolarHBondContact O-CA 3.42Å; F118-V122 WeakPolarHBondContact O-CB 3.5Å; F118-V122 PolarHBondContact O-N 3.39Å; F118-L136 HydrophobicContact CB-CD1 4.44Å; F118-L136 HydrophobicContact CD2-CD1 3.97Å; F118-W139 HydrophobicContact CD2-CE3 4.49Å; F118-W139 AromaticContact CD2-CH2 3.92Å; F118-W139 HydrophobicContact CD2-CH2 3.92Å; F118-W139 AromaticContact CD2-CZ3 3.9Å; F118-W139 HydrophobicContact CD2-CZ3 3.9Å; F118-W139 AromaticContact CE2-CH2 3.48Å; F118-W139 HydrophobicContact CE2-CH2 3.48Å; F118-W139 VanDerWaalsContact CE2-CH2 3.48Å; F118-W139 HydrophobicContact CE2-CZ2 4.29Å; F118-W139 AromaticContact CE2-CZ3 3.75Å; F118-W139 HydrophobicContact CE2-CZ3 3.75Å
119	D	98.3	Very high	98.5	Very high	40 Å²	40	35.9 Å²	35.9	21%	0.214	19%	0.191	C	C	.	.	I	π-helix	trans	-58.5	-51.5	176.8	-166.3	67.9	0	0	0	111.8	E115 A116 R123 R124	E115-D119 PolarHBondContact O-N 2.77Å; A116-D119 PolarHBondContact O-N 2.72Å; D119-R123 WeakPolarHBondContact O-CA 3.4Å; D119-R123 VanDerWaalsContact O-CB 3.29Å; D119-R123 WeakPolarHBondContact O-CB 3.22Å; D119-R123 PolarHBondContact O-N 2.87Å; D119-R123 VanDerWaalsContact OD1-CD 3.29Å; D119-R123 WeakPolarHBondContact OD1-CD 3.29Å; D119-R123 IonicContact OD1-CZ 3.04Å; D119-R123 IonicContact OD1-NE 2.68Å; D119-R123 IonicContact OD1-NH1 3.09Å; D119-R123 PolarHBondContact OD1-NH1 3.05Å; D119-R124 PolarHBondContact O-N 3.33Å; D119-R124 IonicContact OD2-CZ 3.4Å; D119-R124 VanDerWaalsContact OD2-CZ 3.27Å; D119-R124 IonicContact OD2-NE 2.72Å; D119-R124 PolarHBondContact OD2-NE 2.89Å; D119-R124 IonicContact OD2-NH2 2.72Å; D119-R124 PolarHBondContact OD2-NH2 3.07Å
120	Q	98.4	Very high	98.5	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.079	17%	0.172	C	C	.	.	I	π-helix	trans	-59.9	-55.1	179.4	172	172.3	-36.1	0	0	111.7	N103 A116 I117 R124 R126 G127	N103-Q120 PolarHBondContact ND2-OE1 2.88Å; A116-Q120 WeakPolarHBondContact O-CB 3.39Å; A116-Q120 PolarHBondContact O-N 3.48Å; I117-Q120 PolarHBondContact O-N 3.27Å; Q120-R124 CarbonylContact O-C 3.56Å; Q120-R124 WeakPolarHBondContact O-CB 3.26Å; Q120-R124 PolarHBondContact O-N 3.42Å; Q120-R126 HydrophobicContact CG-CB 3.52Å; Q120-R126 HydrophobicContact CG-CG 4.01Å; Q120-R126 WeakPolarHBondContact O-CB 3.4Å; Q120-R126 PolarHBondContact O-N 2.85Å; Q120-R126 VanDerWaalsContact O-N 3.11Å; Q120-G127 PolarHBondContact NE2-O 2.96Å
121	V	98.8	Very high	98.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.172	C	C	.	.	I	π-helix	trans	-74.4	-48.9	-172.2	175	0	0	0	0	111.3	R71 V97 I117 N125 L136	R71-V121 WeakPolarHBondContact CD-O 3.27Å; R71-V121 PolarHBondContact NE-O 2.74Å; V97-V121 HydrophobicContact CB-CG1 4.36Å; V97-V121 HydrophobicContact CG1-CG1 3.58Å; V97-V121 HydrophobicContact CG2-CG1 3.78Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 WeakPolarHBondContact O-CB 3.42Å; I117-V121 WeakPolarHBondContact O-CG2 3.27Å; I117-V121 PolarHBondContact O-N 3.47Å; V121-N125 WeakPolarHBondContact O-CA 3.26Å; V121-N125 PolarHBondContact O-N 2.88Å; V121-L136 HydrophobicContact CB-CD2 3.76Å; V121-L136 HydrophobicContact CG1-CD2 3.4Å; V121-L136 HydrophobicContact CG2-CD2 4.29Å
122	V	98.7	Very high	98.6	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.073	15%	0.154	C	C	.	.	I	π-helix	trans	-83.2	-50.5	-172	-178.1	0	0	0	0	111.6	A67 Y68 R71 F118 L136	A67-V122 HydrophobicContact CB-CG1 3.96Å; A67-V122 WeakPolarHBondContact O-CG1 3.48Å; Y68-V122 HydrophobicContact CD2-CG2 4.42Å; R71-V122 HydrophobicContact CB-CB 4.43Å; R71-V122 HydrophobicContact CB-CG1 3.94Å; R71-V122 HydrophobicContact CB-CG2 4.48Å; R71-V122 HydrophobicContact CG-CB 4.48Å; R71-V122 HydrophobicContact CG-CG2 4.42Å; F118-V122 HydrophobicContact CD1-CB 4.25Å; F118-V122 HydrophobicContact CD1-CG2 4.49Å; F118-V122 HydrophobicContact CD2-CB 4.38Å; F118-V122 HydrophobicContact CD2-CG2 3.78Å; F118-V122 HydrophobicContact CE1-CB 4.06Å; F118-V122 HydrophobicContact CE1-CG1 4.08Å; F118-V122 HydrophobicContact CE1-CG2 4.47Å; F118-V122 HydrophobicContact CE2-CB 4.19Å; F118-V122 HydrophobicContact CE2-CG1 4.23Å; F118-V122 HydrophobicContact CE2-CG2 3.75Å; F118-V122 HydrophobicContact CG-CB 4.39Å; F118-V122 HydrophobicContact CG-CG2 4.15Å; F118-V122 HydrophobicContact CZ-CB 4.03Å; F118-V122 HydrophobicContact CZ-CG1 3.79Å; F118-V122 HydrophobicContact CZ-CG2 4.11Å; F118-V122 WeakPolarHBondContact O-CA 3.42Å; F118-V122 WeakPolarHBondContact O-CB 3.5Å; F118-V122 PolarHBondContact O-N 3.39Å; V122-L136 HydrophobicContact CG2-CD1 4.47Å; V122-L136 HydrophobicContact CG2-CD2 4.27Å
123	R	97.9	Very high	98.6	Very high	123 Å²	123	29 Å²	29	46%	0.464	15%	0.148	S	C	.	.	I	π-helix	trans	-82.5	-37	-174.8	-54.1	-162.2	-175.8	89.1	5.4	113	I62 D119	I62-R123 PolarHBondContact O-NH2 3.28Å; D119-R123 WeakPolarHBondContact O-CA 3.4Å; D119-R123 VanDerWaalsContact O-CB 3.29Å; D119-R123 WeakPolarHBondContact O-CB 3.22Å; D119-R123 PolarHBondContact O-N 2.87Å; D119-R123 VanDerWaalsContact OD1-CD 3.29Å; D119-R123 WeakPolarHBondContact OD1-CD 3.29Å; D119-R123 IonicContact OD1-CZ 3.04Å; D119-R123 IonicContact OD1-NE 2.68Å; D119-R123 IonicContact OD1-NH1 3.09Å; D119-R123 PolarHBondContact OD1-NH1 3.05Å
124	R	98.1	Very high	98.6	Very high	119 Å²	119	27 Å²	27	45%	0.449	13%	0.126	S	C	.	.	S	Bend	trans	-97.1	5.9	-177.6	-50.4	-176.5	-165.8	-157.6	7.2	114	D119 Q120 R126 E338	D119-R124 PolarHBondContact O-N 3.33Å; D119-R124 IonicContact OD2-CZ 3.4Å; D119-R124 VanDerWaalsContact OD2-CZ 3.27Å; D119-R124 IonicContact OD2-NE 2.72Å; D119-R124 PolarHBondContact OD2-NE 2.89Å; D119-R124 IonicContact OD2-NH2 2.72Å; D119-R124 PolarHBondContact OD2-NH2 3.07Å; Q120-R124 CarbonylContact O-C 3.56Å; Q120-R124 WeakPolarHBondContact O-CB 3.26Å; Q120-R124 PolarHBondContact O-N 3.42Å; R124-R126 HydrophobicContact CB-CG 4.21Å; R124-R126 PolarHBondContact O-N 2.87Å; R124-E338 WeakPolarHBondContact CD-OE1 3.49Å; R124-E338 IonicContact CZ-OE1 3Å; R124-E338 IonicContact NE-OE1 3.5Å; R124-E338 VanDerWaalsContact NH1-CD 3.34Å; R124-E338 IonicContact NH1-OE1 2.85Å; R124-E338 PolarHBondContact NH1-OE1 3.5Å; R124-E338 IonicContact NH1-OE2 2.82Å; R124-E338 PolarHBondContact NH1-OE2 3.16Å
125	N	98.4	Very high	98.6	Very high	59 Å²	59	26.1 Å²	26.1	32%	0.316	12%	0.122	S	C	.	.			trans	54.2	29.9	-179.6	-70.5	-68.7	0	0	0	114.5	R71 V121	R71-N125 WeakPolarHBondContact CD-OD1 3.22Å; R71-N125 PolarHBondContact NE-OD1 3.47Å; R71-N125 PolarHBondContact NH2-O 3.49Å; V121-N125 WeakPolarHBondContact O-CA 3.26Å; V121-N125 PolarHBondContact O-N 2.88Å
126	R	98.8	Very high	98.7	Very high	12 Å²	12	21 Å²	21	5%	0.045	10%	0.098	C	C	.	.			trans	-85.5	176	176.8	-65.8	-65.9	-57.8	-74.7	-7.9	111.8	R71 E100 N103 Q120 R124 S336	R71-R126 PolarHBondContact NH2-O 3Å; E100-R126 VanDerWaalsContact CD-NH2 3.26Å; E100-R126 IonicContact OE1-CZ 3.72Å; E100-R126 VanDerWaalsContact OE1-CZ 3.23Å; E100-R126 IonicContact OE1-NE 2.82Å; E100-R126 PolarHBondContact OE1-NE 2.86Å; E100-R126 IonicContact OE1-NH2 2.75Å; E100-R126 PolarHBondContact OE1-NH2 2.69Å; E100-R126 IonicContact OE2-NH2 3.9Å; E100-R126 PolarHBondContact OE2-NH2 3.29Å; N103-R126 VanDerWaalsContact OD1-CZ 3.27Å; N103-R126 PolarHBondContact OD1-NH1 3.4Å; N103-R126 PolarHBondContact OD1-NH2 2.91Å; Q120-R126 HydrophobicContact CG-CB 3.52Å; Q120-R126 HydrophobicContact CG-CG 4.01Å; Q120-R126 WeakPolarHBondContact O-CB 3.4Å; Q120-R126 PolarHBondContact O-N 2.85Å; Q120-R126 VanDerWaalsContact O-N 3.11Å; R124-R126 HydrophobicContact CB-CG 4.21Å; R124-R126 PolarHBondContact O-N 2.87Å; R126-S336 WeakPolarHBondContact CD-O 3.34Å
127	G	98.8	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	8%	0.083	C	C	.	.			trans	-107.7	-156.6	165.2	0	0	0	0	0	111.5	P98 E100 Q120	P98-G127 WeakPolarHBondContact O-CA 3.48Å; E100-G127 PolarHBondContact OE1-N 2.8Å; Q120-G127 PolarHBondContact NE2-O 2.96Å
128	G	98.8	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-173.3	178.4	171.7	0	0	0	0	0	112	P98 F99 E100 V133	P98-G128 PolarHBondContact O-N 3.16Å; P98-G128 VanDerWaalsContact O-N 3.11Å; F99-G128 WeakPolarHBondContact CA-O 3.3Å; E100-G128 PolarHBondContact N-O 2.94Å; E100-G128 CarbonylContact O-C 3.43Å; G128-V133 WeakPolarHBondContact O-CG1 3.43Å
129	W	98.8	Very high	98.7	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	10%	0.102	C	C	.	.			trans	-82.7	-180	171.6	62.6	2.4	0	0	0	111.7	F99 E100 I104 M110 L131 Q132 V133 N268 L271 Q272 F279	F99-W129 HydrophobicContact CE2-CB 4.23Å; E100-W129 PolarHBondContact O-N 3.33Å; E100-W129 VanDerWaalsContact O-N 3.11Å; I104-W129 HydrophobicContact CD1-CZ3 4.17Å; M110-W129 HydrophobicContact CB-CD2 4.39Å; M110-W129 HydrophobicContact CB-CH2 3.9Å; M110-W129 HydrophobicContact CB-CZ2 3.27Å; M110-W129 HydrophobicContact CE-CB 3.93Å; M110-W129 HydrophobicContact CE-CD2 3.59Å; M110-W129 HydrophobicContact CE-CE3 4.2Å; M110-W129 HydrophobicContact CE-CG 3.44Å; M110-W129 VanDerWaalsContact CE-CG 3.44Å; M110-W129 HydrophobicContact CG-CD2 4.31Å; M110-W129 HydrophobicContact CG-CE3 4.46Å; M110-W129 HydrophobicContact CG-CH2 4Å; M110-W129 HydrophobicContact CG-CZ2 3.79Å; M110-W129 HydrophobicContact CG-CZ3 4.32Å; W129-L131 VanDerWaalsContact C-N 3.28Å; W129-L131 HydrophobicContact CZ2-CD1 4.33Å; W129-L131 PolarHBondContact O-N 3.42Å; W129-L131 VanDerWaalsContact O-N 3.17Å; W129-Q132 PolarHBondContact O-N 2.77Å; W129-V133 PolarHBondContact O-N 2.91Å; W129-N268 WeakPolarHBondContact CZ2-OD1 3.42Å; W129-L271 HydrophobicContact CH2-CB 3.71Å; W129-L271 HydrophobicContact CZ3-CB 3.54Å; W129-L271 HydrophobicContact CZ3-CD1 4.49Å; W129-Q272 HydrophobicContact CH2-CB 3.92Å; W129-Q272 HydrophobicContact CZ3-CB 4.46Å; W129-F279 HydrophobicContact CB-CE1 4.02Å; W129-F279 HydrophobicContact CE3-CB 4.33Å; W129-F279 AromaticContact CE3-CD1 3.64Å; W129-F279 HydrophobicContact CE3-CD1 3.64Å; W129-F279 AromaticContact CE3-CD2 3.97Å; W129-F279 HydrophobicContact CE3-CD2 3.97Å; W129-F279 AromaticContact CE3-CE1 3.78Å; W129-F279 HydrophobicContact CE3-CE1 3.78Å; W129-F279 HydrophobicContact CE3-CE2 4.12Å; W129-F279 AromaticContact CE3-CG 3.73Å; W129-F279 HydrophobicContact CE3-CG 3.73Å; W129-F279 HydrophobicContact CE3-CZ 4.03Å; W129-F279 HydrophobicContact CZ3-CB 4.12Å; W129-F279 HydrophobicContact CZ3-CD1 4.26Å; W129-F279 AromaticContact CZ3-CD2 3.96Å; W129-F279 HydrophobicContact CZ3-CD2 3.96Å; W129-F279 HydrophobicContact CZ3-CE2 4.41Å; W129-F279 AromaticContact CZ3-CG 3.88Å; W129-F279 HydrophobicContact CZ3-CG 3.88Å
130	C	98.8	Very high	98.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.014	9%	0.092	C	C	.	.	H	α-helix	trans	-53.7	-40.2	-174.1	60.3	0	0	0	0	113.8	Q132 N134 H169 G186	C130-Q132 PolarHBondContact O-N 2.83Å; C130-Q132 VanDerWaalsContact O-N 3.16Å; C130-N134 VanDerWaalsContact O-CB 3.31Å; C130-N134 WeakPolarHBondContact O-CB 3.47Å; C130-N134 PolarHBondContact O-N 3.39Å; C130-N134 VanDerWaalsContact O-N 3.09Å; C130-H169 WeakPolarHBondContact CB-ND1 2.96Å; C130-H169 PolarHBondContact SG-ND1 2.89Å; C130-G186 WeakPolarHBondContact CB-O 3.42Å
131	L	98.9	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.7	-20.3	179.7	-52.5	-174.5	0	0	0	113.3	L112 W129 H135 L170 F264 N268	L112-L131 HydrophobicContact CD1-CB 3.89Å; L112-L131 HydrophobicContact CD1-CD1 4.28Å; W129-L131 VanDerWaalsContact C-N 3.28Å; W129-L131 HydrophobicContact CZ2-CD1 4.33Å; W129-L131 PolarHBondContact O-N 3.42Å; W129-L131 VanDerWaalsContact O-N 3.17Å; L131-H135 WeakPolarHBondContact O-CB 3.44Å; L131-L170 HydrophobicContact CD2-CB 3.71Å; L131-F264 HydrophobicContact CD1-CB 4.22Å; L131-F264 HydrophobicContact CD2-CB 4.02Å; L131-F264 HydrophobicContact CD2-CD1 3.54Å; L131-F264 HydrophobicContact CD2-CE1 4.19Å; L131-F264 HydrophobicContact CD2-CG 3.89Å; L131-N268 HydrophobicContact CD1-CB 3.9Å
132	Q	98.9	Very high	98.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-97.5	-55	179.6	-66.2	176.7	-44.2	0	0	111	D111 I117 W129 C130 N134 H135 L136	D111-Q132 WeakPolarHBondContact O-CG 3.41Å; D111-Q132 PolarHBondContact O-NE2 3.07Å; I117-Q132 HydrophobicContact CD1-CB 4.17Å; I117-Q132 HydrophobicContact CD1-CG 4.01Å; I117-Q132 HydrophobicContact CG1-CB 4.06Å; I117-Q132 HydrophobicContact CG1-CG 3.85Å; I117-Q132 HydrophobicContact CG2-CB 4.14Å; I117-Q132 WeakPolarHBondContact CG2-O 3.26Å; W129-Q132 PolarHBondContact O-N 2.77Å; C130-Q132 PolarHBondContact O-N 2.83Å; C130-Q132 VanDerWaalsContact O-N 3.16Å; Q132-N134 PolarHBondContact O-N 2.95Å; Q132-H135 PolarHBondContact O-N 2.85Å; Q132-L136 WeakPolarHBondContact O-CB 3.39Å; Q132-L136 PolarHBondContact O-N 2.85Å
133	V	98.9	Very high	98.7	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-72	-31.1	-172.7	-57.1	0	0	0	0	112.8	Q93 V97 G128 W129 L137	Q93-V133 PolarHBondContact NE2-O 3.08Å; V97-V133 HydrophobicContact CG1-CG1 3.77Å; G128-V133 WeakPolarHBondContact O-CG1 3.43Å; W129-V133 PolarHBondContact O-N 2.91Å; V133-L137 WeakPolarHBondContact O-CB 3.48Å; V133-L137 PolarHBondContact O-N 3.13Å
134	N	98.9	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-81.4	-27.5	173.7	-69.3	-26.9	0	0	0	112.3	C130 Q132 L137 Y138 L170 L172 D184 A185 G186	C130-N134 VanDerWaalsContact O-CB 3.31Å; C130-N134 WeakPolarHBondContact O-CB 3.47Å; C130-N134 PolarHBondContact O-N 3.39Å; C130-N134 VanDerWaalsContact O-N 3.09Å; Q132-N134 PolarHBondContact O-N 2.95Å; N134-L137 PolarHBondContact O-N 3.25Å; N134-Y138 VanDerWaalsContact O-CB 3.26Å; N134-Y138 WeakPolarHBondContact O-CB 3.31Å; N134-Y138 PolarHBondContact O-N 2.83Å; N134-L170 HydrophobicContact CB-CD2 4.01Å; N134-L170 HydrophobicContact CB-CG 3.96Å; N134-L170 PolarHBondContact ND2-O 2.89Å; N134-L172 HydrophobicContact CB-CG 4.49Å; N134-D184 PolarHBondContact ND2-OD1 3.42Å; N134-A185 PolarHBondContact OD1-N 2.83Å; N134-G186 PolarHBondContact OD1-N 3.13Å
135	H	98.9	Very high	98.7	Very high	15 Å²	15	18.7 Å²	18.7	7%	0.069	11%	0.106	C	C	.	.	H	α-helix	trans	-67.2	-41.2	170.4	-174	-172	0	0	0	111.1	L112 I117 L131 Q132 Y138 W139 M150 L170 I261	L112-H135 PolarHBondContact O-ND1 2.84Å; I117-H135 HydrophobicContact CD1-CB 4.31Å; L131-H135 WeakPolarHBondContact O-CB 3.44Å; Q132-H135 PolarHBondContact O-N 2.85Å; H135-Y138 WeakPolarHBondContact O-CB 3.34Å; H135-Y138 PolarHBondContact O-N 3.42Å; H135-W139 PolarHBondContact O-N 3.45Å; H135-M150 WeakPolarHBondContact CD2-CE 3.34Å; H135-L170 HydrophobicContact CB-CD2 4.17Å; H135-I261 HydrophobicContact CB-CD1 4Å; H135-I261 WeakPolarHBondContact ND1-CD1 3.43Å
136	L	98.9	Very high	98.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.1	-44.5	172.6	-175.4	65.7	0	0	0	111.8	Y68 I117 F118 V121 V122 Q132 W139 A140	Y68-L136 HydrophobicContact CD2-CD1 4.37Å; Y68-L136 HydrophobicContact CD2-CD2 4.07Å; Y68-L136 HydrophobicContact CD2-CG 4.06Å; Y68-L136 HydrophobicContact CE2-CD2 4.14Å; Y68-L136 HydrophobicContact CE2-CG 4.09Å; I117-L136 HydrophobicContact CG2-CB 4Å; F118-L136 HydrophobicContact CB-CD1 4.44Å; F118-L136 HydrophobicContact CD2-CD1 3.97Å; V121-L136 HydrophobicContact CB-CD2 3.76Å; V121-L136 HydrophobicContact CG1-CD2 3.4Å; V121-L136 HydrophobicContact CG2-CD2 4.29Å; V122-L136 HydrophobicContact CG2-CD1 4.47Å; V122-L136 HydrophobicContact CG2-CD2 4.27Å; Q132-L136 WeakPolarHBondContact O-CB 3.39Å; Q132-L136 PolarHBondContact O-N 2.85Å; L136-W139 HydrophobicContact CD1-CE3 3.83Å; L136-W139 HydrophobicContact CD1-CZ3 4.15Å; L136-W139 PolarHBondContact O-N 2.79Å; L136-A140 WeakPolarHBondContact O-CB 3.43Å; L136-A140 PolarHBondContact O-N 2.82Å
137	L	98.9	Very high	98.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-41.6	177.4	-176.5	59.6	0	0	0	111.7	I89 L90 V133 N134 W139 A140 L141 L172 V183 A185	I89-L137 HydrophobicContact CG2-CD1 3.94Å; L90-L137 HydrophobicContact CD1-CD2 4.39Å; V133-L137 WeakPolarHBondContact O-CB 3.48Å; V133-L137 PolarHBondContact O-N 3.13Å; N134-L137 PolarHBondContact O-N 3.25Å; L137-W139 VanDerWaalsContact C-N 3.33Å; L137-W139 PolarHBondContact O-N 2.79Å; L137-A140 PolarHBondContact O-N 3.02Å; L137-L141 HydrophobicContact CD1-CD1 3.93Å; L137-L141 HydrophobicContact CD1-CD2 4.29Å; L137-L141 HydrophobicContact CD1-CG 3.83Å; L137-L141 HydrophobicContact CD2-CD1 4.43Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 HydrophobicContact CG-CG 4.14Å; L137-L141 WeakPolarHBondContact O-CB 3.33Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.21Å; L137-L141 PolarHBondContact O-N 2.94Å; L137-L172 HydrophobicContact CB-CD1 4.05Å; L137-L172 HydrophobicContact CD2-CD1 4.03Å; L137-L172 HydrophobicContact CG-CD1 3.86Å; L137-V183 HydrophobicContact CD2-CG1 3.75Å; L137-A185 HydrophobicContact CD2-CB 3.86Å
138	Y	98.9	Very high	98.7	Very high	71 Å²	71	22.2 Å²	22.2	28%	0.278	12%	0.122	S	C	.	.	H	α-helix	trans	-55	-50.2	173.7	170.2	-91.8	0	0	0	111.1	N134 H135 A140 T142 T148 M150 L172	N134-Y138 VanDerWaalsContact O-CB 3.26Å; N134-Y138 WeakPolarHBondContact O-CB 3.31Å; N134-Y138 PolarHBondContact O-N 2.83Å; H135-Y138 WeakPolarHBondContact O-CB 3.34Å; H135-Y138 PolarHBondContact O-N 3.42Å; Y138-A140 VanDerWaalsContact C-N 3.35Å; Y138-A140 PolarHBondContact O-N 3.41Å; Y138-T142 VanDerWaalsContact O-CB 3.26Å; Y138-T142 WeakPolarHBondContact O-CB 3.49Å; Y138-T142 PolarHBondContact O-N 3.18Å; Y138-T142 PolarHBondContact O-OG1 3.23Å; Y138-T148 HydrophobicContact CD2-CG2 3.64Å; Y138-T148 HydrophobicContact CE2-CG2 4.19Å; Y138-T148 WeakPolarHBondContact CE2-O 3.17Å; Y138-M150 HydrophobicContact CD1-CE 3.34Å; Y138-M150 HydrophobicContact CD2-CE 4.06Å; Y138-M150 HydrophobicContact CD2-CG 3.63Å; Y138-M150 HydrophobicContact CE1-CE 3.8Å; Y138-M150 HydrophobicContact CE2-CE 4.45Å; Y138-M150 HydrophobicContact CE2-CG 3.92Å; Y138-M150 HydrophobicContact CG-CE 3.49Å; Y138-M150 VanDerWaalsContact CG-CE 3.49Å; Y138-M150 HydrophobicContact CG-CG 4.02Å; Y138-L172 HydrophobicContact CD2-CD2 4.14Å; Y138-L172 HydrophobicContact CG-CD2 4.41Å
139	W	98.8	Very high	98.7	Very high	34 Å²	34	23.8 Å²	23.8	13%	0.129	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-45.8	177.7	163.6	78.7	0	0	0	111.3	M63 I65 Y68 L114 F118 H135 L136 L137 T143	M63-W139 HydrophobicContact CB-CH2 4.4Å; M63-W139 HydrophobicContact CB-CZ2 3.81Å; I65-W139 HydrophobicContact CB-CH2 4.46Å; I65-W139 HydrophobicContact CD1-CH2 4.23Å; I65-W139 HydrophobicContact CD1-CZ3 4.28Å; Y68-W139 HydrophobicContact CD2-CZ3 4.36Å; Y68-W139 AromaticContact CG-CZ3 3.99Å; Y68-W139 HydrophobicContact CG-CZ3 3.99Å; L114-W139 HydrophobicContact CD1-CB 3.92Å; L114-W139 HydrophobicContact CD1-CG 4.35Å; L114-W139 HydrophobicContact CD2-CB 3.7Å; L114-W139 HydrophobicContact CD2-CG 3.71Å; L114-W139 HydrophobicContact CG-CB 4.41Å; L114-W139 HydrophobicContact CG-CG 4.48Å; F118-W139 HydrophobicContact CD2-CE3 4.49Å; F118-W139 AromaticContact CD2-CH2 3.92Å; F118-W139 HydrophobicContact CD2-CH2 3.92Å; F118-W139 AromaticContact CD2-CZ3 3.9Å; F118-W139 HydrophobicContact CD2-CZ3 3.9Å; F118-W139 AromaticContact CE2-CH2 3.48Å; F118-W139 HydrophobicContact CE2-CH2 3.48Å; F118-W139 VanDerWaalsContact CE2-CH2 3.48Å; F118-W139 HydrophobicContact CE2-CZ2 4.29Å; F118-W139 AromaticContact CE2-CZ3 3.75Å; F118-W139 HydrophobicContact CE2-CZ3 3.75Å; H135-W139 PolarHBondContact O-N 3.45Å; L136-W139 HydrophobicContact CD1-CE3 3.83Å; L136-W139 HydrophobicContact CD1-CZ3 4.15Å; L136-W139 PolarHBondContact O-N 2.79Å; L137-W139 VanDerWaalsContact C-N 3.33Å; L137-W139 PolarHBondContact O-N 2.79Å; W139-T143 PolarHBondContact NE1-OG1 2.94Å; W139-T143 WeakPolarHBondContact O-CB 3.39Å; W139-T143 PolarHBondContact O-N 3.45Å; W139-T143 PolarHBondContact O-OG1 2.88Å
140	A	98.8	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-50	-178.5	0	0	0	0	0	111.8	I65 Y68 L136 L137 Y138 T143 M144	I65-A140 HydrophobicContact CD1-CB 4.07Å; Y68-A140 HydrophobicContact CD1-CB 3.73Å; Y68-A140 HydrophobicContact CD2-CB 4.39Å; Y68-A140 HydrophobicContact CE1-CB 3.37Å; Y68-A140 HydrophobicContact CE2-CB 4.07Å; Y68-A140 HydrophobicContact CG-CB 4.23Å; L136-A140 WeakPolarHBondContact O-CB 3.43Å; L136-A140 PolarHBondContact O-N 2.82Å; L137-A140 PolarHBondContact O-N 3.02Å; Y138-A140 VanDerWaalsContact C-N 3.35Å; Y138-A140 PolarHBondContact O-N 3.41Å; A140-T143 PolarHBondContact O-N 2.78Å; A140-M144 VanDerWaalsContact O-CG 3.25Å; A140-M144 WeakPolarHBondContact O-CG 3.43Å; A140-M144 PolarHBondContact O-N 3.31Å
141	L	98.8	Very high	98.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-44.1	-179.9	-66.9	177.6	0	0	0	111.9	L86 I89 L137 T143 M144 G145 F146 L172 V174	L86-L141 HydrophobicContact CD1-CD1 3.69Å; L86-L141 HydrophobicContact CD1-CD2 3.63Å; L86-L141 HydrophobicContact CD1-CG 4.32Å; I89-L141 HydrophobicContact CB-CD2 4.43Å; I89-L141 HydrophobicContact CG2-CD2 3.96Å; L137-L141 HydrophobicContact CD1-CD1 3.93Å; L137-L141 HydrophobicContact CD1-CD2 4.29Å; L137-L141 HydrophobicContact CD1-CG 3.83Å; L137-L141 HydrophobicContact CD2-CD1 4.43Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 HydrophobicContact CG-CG 4.14Å; L137-L141 WeakPolarHBondContact O-CB 3.33Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.21Å; L137-L141 PolarHBondContact O-N 2.94Å; L141-T143 VanDerWaalsContact C-N 3.35Å; L141-T143 PolarHBondContact O-N 3.38Å; L141-M144 WeakPolarHBondContact O-CB 3.47Å; L141-M144 PolarHBondContact O-N 3.47Å; L141-G145 PolarHBondContact O-N 2.73Å; L141-G145 VanDerWaalsContact O-N 3.1Å; L141-F146 HydrophobicContact CB-CB 4.23Å; L141-F146 HydrophobicContact CB-CD2 4.27Å; L141-F146 HydrophobicContact CD2-CD2 3.86Å; L141-F146 HydrophobicContact CD2-CE2 4.14Å; L141-F146 PolarHBondContact O-N 3.46Å; L141-L172 HydrophobicContact CD1-CD1 4.31Å; L141-V174 HydrophobicContact CD1-CG2 4.02Å
142	T	98.6	Very high	98.7	Very high	58 Å²	58	24 Å²	24	36%	0.356	13%	0.133	S	C	.	.	H	α-helix	trans	-63.6	-41.1	175.9	-52.6	0	0	0	0	111.2	Y138 M144 G145	Y138-T142 VanDerWaalsContact O-CB 3.26Å; Y138-T142 WeakPolarHBondContact O-CB 3.49Å; Y138-T142 PolarHBondContact O-N 3.18Å; Y138-T142 PolarHBondContact O-OG1 3.23Å; T142-M144 VanDerWaalsContact C-N 3.27Å; T142-M144 PolarHBondContact O-N 3.04Å; T142-G145 WeakPolarHBondContact O-CA 3.41Å; T142-G145 PolarHBondContact O-N 3.13Å
143	T	98.1	Very high	98.7	Very high	71 Å²	71	24 Å²	24	44%	0.436	13%	0.133	S	C	.	.	H	α-helix	trans	-64.7	-32.6	176.5	-61.1	0	0	0	0	111.9	I65 W139 A140 L141 G145	I65-T143 HydrophobicContact CB-CG2 4.1Å; I65-T143 HydrophobicContact CD1-CG2 4.38Å; I65-T143 HydrophobicContact CG1-CG2 4.29Å; W139-T143 PolarHBondContact NE1-OG1 2.94Å; W139-T143 WeakPolarHBondContact O-CB 3.39Å; W139-T143 PolarHBondContact O-N 3.45Å; W139-T143 PolarHBondContact O-OG1 2.88Å; A140-T143 PolarHBondContact O-N 2.78Å; L141-T143 VanDerWaalsContact C-N 3.35Å; L141-T143 PolarHBondContact O-N 3.38Å; T143-G145 VanDerWaalsContact C-N 3.27Å
144	M	97.4	Very high	98.7	Very high	20 Å²	20	26.4 Å²	26.4	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-71.7	-22.9	172.6	-69.1	171.1	67.6	0	0	112.6	I65 R78 L81 T85 I89 A140 L141 T142 F146	I65-M144 HydrophobicContact CD1-CG 4.34Å; R78-M144 HydrophobicContact CB-CE 3.98Å; L81-M144 HydrophobicContact CD2-CB 4.42Å; L81-M144 WeakPolarHBondContact CD2-O 3.33Å; T85-M144 HydrophobicContact CG2-CE 3.97Å; I89-M144 HydrophobicContact CD1-CE 4Å; I89-M144 HydrophobicContact CD1-SD 4.06Å; I89-M144 HydrophobicContact CG1-CE 3.89Å; I89-M144 HydrophobicContact CG1-SD 4.12Å; A140-M144 VanDerWaalsContact O-CG 3.25Å; A140-M144 WeakPolarHBondContact O-CG 3.43Å; A140-M144 PolarHBondContact O-N 3.31Å; L141-M144 WeakPolarHBondContact O-CB 3.47Å; L141-M144 PolarHBondContact O-N 3.47Å; T142-M144 VanDerWaalsContact C-N 3.27Å; T142-M144 PolarHBondContact O-N 3.04Å; M144-F146 HydrophobicContact CB-CD2 4.26Å; M144-F146 HydrophobicContact CE-CE2 4.17Å
145	G	98.2	Very high	98.7	Very high	46 Å²	46	28 Å²	28	47%	0.474	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.6	7.2	177.6	0	0	0	0	0	114.9	L141 T142 T143	L141-G145 PolarHBondContact O-N 2.73Å; L141-G145 VanDerWaalsContact O-N 3.1Å; T142-G145 WeakPolarHBondContact O-CA 3.41Å; T142-G145 PolarHBondContact O-N 3.13Å; T143-G145 VanDerWaalsContact C-N 3.27Å
146	F	98.7	Very high	98.7	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.035	16%	0.156	C	C	.	.			trans	-68.9	136.4	172.3	-74.5	-77.9	0	0	0	110.9	L81 T85 L86 L141 M144 T148 V174 I176	L81-F146 VanDerWaalsContact C-CE1 3.49Å; L81-F146 HydrophobicContact CB-CD1 4.29Å; L81-F146 HydrophobicContact CB-CE1 3.96Å; L81-F146 HydrophobicContact CB-CZ 4.22Å; L81-F146 HydrophobicContact CD2-CD2 3.99Å; L81-F146 HydrophobicContact CD2-CE1 4.44Å; L81-F146 HydrophobicContact CD2-CE2 3.8Å; L81-F146 HydrophobicContact CD2-CG 4.4Å; L81-F146 HydrophobicContact CD2-CZ 4.04Å; T85-F146 HydrophobicContact CG2-CE2 4.44Å; T85-F146 HydrophobicContact CG2-CZ 4.31Å; L86-F146 HydrophobicContact CB-CE1 4.12Å; L86-F146 HydrophobicContact CB-CZ 4Å; L141-F146 HydrophobicContact CB-CB 4.23Å; L141-F146 HydrophobicContact CB-CD2 4.27Å; L141-F146 HydrophobicContact CD2-CD2 3.86Å; L141-F146 HydrophobicContact CD2-CE2 4.14Å; L141-F146 PolarHBondContact O-N 3.46Å; M144-F146 HydrophobicContact CB-CD2 4.26Å; M144-F146 HydrophobicContact CE-CE2 4.17Å; F146-T148 PolarHBondContact O-N 3.03Å; F146-T148 VanDerWaalsContact O-N 3.08Å; F146-T148 PolarHBondContact O-OG1 2.84Å; F146-T148 VanDerWaalsContact O-OG1 3.05Å; F146-V174 HydrophobicContact CB-CG1 4.03Å; F146-V174 HydrophobicContact CD1-CG1 3.82Å; F146-V174 HydrophobicContact CG-CG1 4.21Å; F146-I176 HydrophobicContact CD1-CD1 4.18Å; F146-I176 HydrophobicContact CD1-CG1 4.17Å; F146-I176 HydrophobicContact CE1-CD1 3.74Å; F146-I176 HydrophobicContact CE1-CG1 4.16Å
147	E	98.8	Very high	98.7	Very high	122 Å²	122	30.9 Å²	30.9	57%	0.57	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	104.5	167.6	-174.2	-169.6	141.8	0	0	108.7	V174 T175	E147-V174 VanDerWaalsContact O-CA 3.3Å; E147-V174 WeakPolarHBondContact O-CA 3.25Å; E147-T175 PolarHBondContact O-N 2.92Å; E147-T175 PolarHBondContact OE1-OG1 2.95Å; E147-T175 VanDerWaalsContact OE1-OG1 3.08Å
148	T	98.9	Very high	98.6	Very high	15 Å²	15	32.6 Å²	32.6	9%	0.092	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.1	-171.1	-46.9	0	0	0	0	110.3	Y138 F146 L172 Q173 V174	Y138-T148 HydrophobicContact CD2-CG2 3.64Å; Y138-T148 HydrophobicContact CE2-CG2 4.19Å; Y138-T148 WeakPolarHBondContact CE2-O 3.17Å; F146-T148 PolarHBondContact O-N 3.03Å; F146-T148 VanDerWaalsContact O-N 3.08Å; F146-T148 PolarHBondContact O-OG1 2.84Å; F146-T148 VanDerWaalsContact O-OG1 3.05Å; T148-L172 HydrophobicContact CG2-CB 4.21Å; T148-L172 HydrophobicContact CG2-CD1 4.21Å; T148-Q173 CarbonylContact C-O 3.48Å; T148-Q173 WeakPolarHBondContact CA-O 3.48Å; T148-V174 HydrophobicContact CG2-CG2 4.04Å
149	T	98.9	Very high	98.5	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.202	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.7	-179.8	-59.8	0	0	0	0	109.7	L151 L172 Q173 P258	T149-L151 HydrophobicContact CG2-CD2 4.05Å; T149-L172 CarbonylContact O-C 3.52Å; T149-L172 WeakPolarHBondContact O-CA 3.5Å; T149-Q173 PolarHBondContact N-O 2.89Å; T149-Q173 PolarHBondContact O-N 3.24Å; T149-P258 HydrophobicContact CG2-CB 3.78Å; T149-P258 HydrophobicContact CG2-CG 4.08Å
150	M	98.9	Very high	98.4	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.039	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.2	169.5	-66.2	-171.5	-176.4	0	0	110.2	H135 Y138 L170 L172 R259 I261	H135-M150 WeakPolarHBondContact CD2-CE 3.34Å; Y138-M150 HydrophobicContact CD1-CE 3.34Å; Y138-M150 HydrophobicContact CD2-CE 4.06Å; Y138-M150 HydrophobicContact CD2-CG 3.63Å; Y138-M150 HydrophobicContact CE1-CE 3.8Å; Y138-M150 HydrophobicContact CE2-CE 4.45Å; Y138-M150 HydrophobicContact CE2-CG 3.92Å; Y138-M150 HydrophobicContact CG-CE 3.49Å; Y138-M150 VanDerWaalsContact CG-CE 3.49Å; Y138-M150 HydrophobicContact CG-CG 4.02Å; M150-L170 HydrophobicContact CB-CD1 3.78Å; M150-L170 HydrophobicContact CG-CD1 3.95Å; M150-L170 HydrophobicContact SD-CD1 4.02Å; M150-L172 HydrophobicContact CG-CD2 4.15Å; M150-R259 HydrophobicContact CB-CB 4.26Å; M150-R259 PolarHBondContact O-N 2.62Å; M150-I261 HydrophobicContact SD-CB 4.49Å
151	L	98.9	Very high	98.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.8	174.7	-57.1	-179.6	0	0	0	109.9	T149 L171 Q173 I182 F254 L256	T149-L151 HydrophobicContact CG2-CD2 4.05Å; L151-L171 HydrophobicContact CB-CD2 3.9Å; L151-L171 HydrophobicContact CB-CG 4Å; L151-L171 PolarHBondContact N-O 3.06Å; L151-L171 WeakPolarHBondContact O-CD2 3.3Å; L151-L171 PolarHBondContact O-N 2.84Å; L151-L171 VanDerWaalsContact O-N 3.13Å; L151-Q173 HydrophobicContact CD1-CB 3.89Å; L151-Q173 HydrophobicContact CG-CB 4.3Å; L151-I182 HydrophobicContact CD1-CD1 3.92Å; L151-F254 HydrophobicContact CD1-CD2 3.87Å; L151-F254 HydrophobicContact CD1-CE2 3.98Å; L151-L256 HydrophobicContact CD1-CD2 4.07Å
152	G	98.9	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.1	177.3	0	0	0	0	0	112.7	M167 H169 F254	G152-M167 VanDerWaalsContact CA-SD 3.57Å; G152-H169 CarbonylContact C-O 3.51Å; G152-H169 WeakPolarHBondContact CA-O 3.24Å; G152-F254 WeakPolarHBondContact O-CA 3.03Å; G152-F254 VanDerWaalsContact O-CB 3.3Å; G152-F254 WeakPolarHBondContact O-CB 3.05Å
153	G	98.8	Very high	98.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.6	-174.6	0	0	0	0	0	115.2	M167 I168 H169 S253	G153-M167 CarbonylContact O-C 3.51Å; G153-M167 WeakPolarHBondContact O-CA 3.33Å; G153-I168 PolarHBondContact O-N 2.9Å; G153-H169 PolarHBondContact N-O 2.86Å; G153-H169 PolarHBondContact O-N 2.77Å; G153-H169 VanDerWaalsContact O-N 3.1Å; G153-S253 CarbonylContact C-O 3.58Å; G153-S253 WeakPolarHBondContact CA-O 3.33Å
154	Y	98.9	Very high	98.4	Very high	51 Å²	51	45.7 Å²	45.7	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.6	-177.6	-50.6	-92.6	0	0	0	108.5	Y163 S164 G166 M167 F220 Y252 S253	Y154-Y163 VanDerWaalsContact O-CD1 3.26Å; Y154-Y163 WeakPolarHBondContact O-CD1 3.28Å; Y154-S164 VanDerWaalsContact CA-OG 3.32Å; Y154-S164 WeakPolarHBondContact CA-OG 3.29Å; Y154-S164 WeakPolarHBondContact CD1-O 3.29Å; Y154-G166 WeakPolarHBondContact CD1-O 3.43Å; Y154-M167 HydrophobicContact CE1-CB 4Å; Y154-F220 HydrophobicContact CD2-CE1 4.37Å; Y154-F220 AromaticContact CE2-CE1 3.94Å; Y154-F220 HydrophobicContact CE2-CE1 3.94Å; Y154-Y252 CarbonylContact O-C 3.42Å; Y154-Y252 WeakPolarHBondContact O-CA 3.5Å; Y154-Y252 VanDerWaalsContact O-CB 3.25Å; Y154-Y252 WeakPolarHBondContact O-CB 3.45Å; Y154-S253 PolarHBondContact N-O 3.45Å; Y154-S253 PolarHBondContact O-N 2.86Å
155	V	98.8	Very high	98.4	Very high	35 Å²	35	51 Å²	51	21%	0.212	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.7	-171.2	-179.9	0	0	0	0	110.7	Y163 S164 I168 H169 F187	V155-Y163 CarbonylContact O-C 3.41Å; V155-Y163 WeakPolarHBondContact O-CA 3.33Å; V155-S164 PolarHBondContact N-OG 2.82Å; V155-S164 PolarHBondContact O-N 3.02Å; V155-I168 HydrophobicContact CB-CD1 4.11Å; V155-I168 HydrophobicContact CB-CG1 4.34Å; V155-I168 HydrophobicContact CG2-CD1 4.08Å; V155-I168 HydrophobicContact CG2-CG1 3.88Å; V155-H169 HydrophobicContact CG2-CB 3.95Å; V155-F187 HydrophobicContact CG1-CE2 3.98Å; V155-F187 HydrophobicContact CG1-CZ 3.98Å; V155-F187 HydrophobicContact CG2-CE2 4.15Å
156	Y	98.8	Very high	98.3	Very high	38 Å²	38	50 Å²	50	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.9	178.7	-168.8	-101.6	0	0	0	112	Y163 K250 I251	Y156-Y163 AromaticContact CD2-CD1 3.99Å; Y156-Y163 HydrophobicContact CD2-CD1 3.99Å; Y156-Y163 HydrophobicContact CD2-CD2 4.29Å; Y156-Y163 AromaticContact CD2-CE1 3.81Å; Y156-Y163 HydrophobicContact CD2-CE1 3.81Å; Y156-Y163 HydrophobicContact CD2-CE2 4.12Å; Y156-Y163 HydrophobicContact CD2-CG 4.23Å; Y156-Y163 AromaticContact CD2-CZ 3.87Å; Y156-Y163 HydrophobicContact CG-CD1 4.42Å; Y156-Y163 HydrophobicContact CG-CE1 4.18Å; Y156-K250 WeakPolarHBondContact CB-O 3.14Å; Y156-K250 HydrophobicContact CD1-CB 3.74Å; Y156-K250 HydrophobicContact CD2-CB 3.85Å; Y156-K250 HydrophobicContact CD2-CD 3.99Å; Y156-K250 HydrophobicContact CE1-CB 4.15Å; Y156-K250 HydrophobicContact CE2-CB 4.28Å; Y156-K250 HydrophobicContact CE2-CD 3.71Å; Y156-K250 HydrophobicContact CG-CB 3.56Å; Y156-I251 WeakPolarHBondContact CB-O 3.45Å; Y156-I251 PolarHBondContact N-O 3.43Å
157	S	98.3	Very high	98.3	Very high	36 Å²	36	50.9 Å²	50.9	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.9	172.1	173	0	0	0	0	109.7	A160 K161 K162	S157-A160 PolarHBondContact O-N 2.75Å; S157-A160 WeakPolarHBondContact OG-CB 3.34Å; S157-A160 PolarHBondContact OG-N 3.08Å; S157-K161 WeakPolarHBondContact O-CA 3.35Å; S157-K161 PolarHBondContact O-N 3.33Å; S157-K162 PolarHBondContact N-O 2.92Å; S157-K162 PolarHBondContact O-N 2.81Å
158	T	97.3	Very high	98.3	Very high	38 Å²	38	46.7 Å²	46.7	23%	0.233	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-47.8	176.8	-53.1	0	0	0	0	111.7	A160 K161 E244 R249 F349	T158-A160 VanDerWaalsContact C-N 3.33Å; T158-A160 PolarHBondContact O-N 2.82Å; T158-K161 WeakPolarHBondContact O-CG 3.29Å; T158-K161 PolarHBondContact O-N 2.93Å; T158-K161 VanDerWaalsContact O-N 3.15Å; T158-E244 WeakPolarHBondContact CB-OE2 3.18Å; T158-E244 WeakPolarHBondContact CG2-OE2 3.4Å; T158-E244 PolarHBondContact OG1-OE2 2.77Å; T158-R249 PolarHBondContact OG1-NH1 2.6Å; T158-F349 WeakPolarHBondContact OG1-CZ 3.43Å
159	P	96.8	Very high	98.3	Very high	91 Å²	91	46.2 Å²	46.2	59%	0.591	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-36.8	-179.4	-24.4	36.5	0	0	0	113.2	K161 F349	P159-K161 VanDerWaalsContact C-N 3.32Å; P159-F349 VanDerWaalsContact CD-CG 3.5Å; P159-F349 HydrophobicContact CG-CB 3.89Å; P159-F349 HydrophobicContact CG-CD1 4.39Å; P159-F349 HydrophobicContact CG-CD2 3.54Å; P159-F349 HydrophobicContact CG-CE2 4.14Å; P159-F349 HydrophobicContact CG-CG 3.68Å
160	A	97.3	Very high	98.3	Very high	50 Å²	50	44.7 Å²	44.7	41%	0.413	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-11.2	179.1	0	0	0	0	0	113.3	S157 T158 K162	S157-A160 PolarHBondContact O-N 2.75Å; S157-A160 WeakPolarHBondContact OG-CB 3.34Å; S157-A160 PolarHBondContact OG-N 3.08Å; T158-A160 VanDerWaalsContact C-N 3.33Å; T158-A160 PolarHBondContact O-N 2.82Å; A160-K162 HydrophobicContact CB-CD 4.49Å; A160-K162 HydrophobicContact CB-CG 3.82Å; A160-K162 WeakPolarHBondContact O-CG 3.35Å; A160-K162 PolarHBondContact O-N 2.84Å; A160-K162 VanDerWaalsContact O-N 3.17Å
161	K	98.1	Very high	98.3	Very high	174 Å²	174	44.3 Å²	44.3	76%	0.757	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	32.2	-174.9	-59.9	-175.9	178.6	-179.1	0	113.8	S157 T158 P159	S157-K161 WeakPolarHBondContact O-CA 3.35Å; S157-K161 PolarHBondContact O-N 3.33Å; T158-K161 WeakPolarHBondContact O-CG 3.29Å; T158-K161 PolarHBondContact O-N 2.93Å; T158-K161 VanDerWaalsContact O-N 3.15Å; P159-K161 VanDerWaalsContact C-N 3.32Å
162	K	98.3	Very high	98.3	Very high	123 Å²	123	44.3 Å²	44.3	54%	0.535	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.2	-178.2	64.5	-180	179.5	175.5	0	111.4	S157 A160	S157-K162 PolarHBondContact N-O 2.92Å; S157-K162 PolarHBondContact O-N 2.81Å; A160-K162 HydrophobicContact CB-CD 4.49Å; A160-K162 HydrophobicContact CB-CG 3.82Å; A160-K162 WeakPolarHBondContact O-CG 3.35Å; A160-K162 PolarHBondContact O-N 2.84Å; A160-K162 VanDerWaalsContact O-N 3.17Å
163	Y	98.7	Very high	98.3	Very high	43 Å²	43	45.4 Å²	45.4	17%	0.169	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	156	165.5	-62.1	-78.7	0	0	0	110.6	Y154 V155 Y156 Y222	Y154-Y163 VanDerWaalsContact O-CD1 3.26Å; Y154-Y163 WeakPolarHBondContact O-CD1 3.28Å; V155-Y163 CarbonylContact O-C 3.41Å; V155-Y163 WeakPolarHBondContact O-CA 3.33Å; Y156-Y163 AromaticContact CD2-CD1 3.99Å; Y156-Y163 HydrophobicContact CD2-CD1 3.99Å; Y156-Y163 HydrophobicContact CD2-CD2 4.29Å; Y156-Y163 AromaticContact CD2-CE1 3.81Å; Y156-Y163 HydrophobicContact CD2-CE1 3.81Å; Y156-Y163 HydrophobicContact CD2-CE2 4.12Å; Y156-Y163 HydrophobicContact CD2-CG 4.23Å; Y156-Y163 AromaticContact CD2-CZ 3.87Å; Y156-Y163 HydrophobicContact CG-CD1 4.42Å; Y156-Y163 HydrophobicContact CG-CE1 4.18Å; Y163-Y222 HydrophobicContact CD2-CE1 4.27Å; Y163-Y222 HydrophobicContact CE1-CD1 4.47Å; Y163-Y222 AromaticContact CE2-CD1 3.68Å; Y163-Y222 HydrophobicContact CE2-CD1 3.68Å; Y163-Y222 AromaticContact CE2-CE1 3.53Å; Y163-Y222 HydrophobicContact CE2-CE1 3.53Å; Y163-Y222 AromaticContact CZ-CD1 3.56Å; Y163-Y222 AromaticContact CZ-CE1 3.93Å; Y163-Y222 VanDerWaalsContact OH-CD1 3.25Å; Y163-Y222 WeakPolarHBondContact OH-CD1 3.39Å
164	S	98.4	Very high	98.3	Very high	29 Å²	29	45.4 Å²	45.4	20%	0.203	25%	0.248	C	C	.	.			trans	-57.8	145.7	174.7	57.8	0	0	0	0	111	Y154 V155 G166	Y154-S164 VanDerWaalsContact CA-OG 3.32Å; Y154-S164 WeakPolarHBondContact CA-OG 3.29Å; Y154-S164 WeakPolarHBondContact CD1-O 3.29Å; V155-S164 PolarHBondContact N-OG 2.82Å; V155-S164 PolarHBondContact O-N 3.02Å; S164-G166 PolarHBondContact OG-O 2.94Å
165	T	97	Very high	98.3	Very high	130 Å²	130	44.1 Å²	44.1	80%	0.798	25%	0.246	S	C	*	.	S	Bend	trans	-71.1	-36.9	174.3	-55.4	0	0	0	0	111.4
166	G	96.9	Very high	98.3	Very high	25 Å²	25	43 Å²	43	26%	0.258	24%	0.238	S	C	.	.	S	Bend	trans	-84.7	150.9	174.8	0	0	0	0	0	112.5	Y154 S164 I168	Y154-G166 WeakPolarHBondContact CD1-O 3.43Å; S164-G166 PolarHBondContact OG-O 2.94Å; G166-I168 PolarHBondContact O-N 2.98Å; G166-I168 VanDerWaalsContact O-N 3.15Å
167	M	98.4	Very high	98.2	Very high	28 Å²	28	48.7 Å²	48.7	14%	0.138	27%	0.271	C	S	.	.			trans	-79.2	84.7	171.8	-172.3	176.5	81.1	0	0	109.2	G152 G153 Y154 R259 D263 F264 M267	G152-M167 VanDerWaalsContact CA-SD 3.57Å; G153-M167 CarbonylContact O-C 3.51Å; G153-M167 WeakPolarHBondContact O-CA 3.33Å; Y154-M167 HydrophobicContact CE1-CB 4Å; M167-R259 HydrophobicContact CE-CG 4.34Å; M167-D263 HydrophobicContact CE-CB 4.11Å; M167-F264 HydrophobicContact CE-CD1 4.27Å; M167-F264 HydrophobicContact CE-CE1 3.83Å; M167-F264 HydrophobicContact CE-CE2 4.36Å; M167-F264 HydrophobicContact CE-CZ 3.89Å; M167-F264 HydrophobicContact CG-CE1 4.26Å; M167-M267 WeakPolarHBondContact O-CG 3.34Å
168	I	98.6	Very high	98.1	Very high	34 Å²	34	50 Å²	50	17%	0.174	29%	0.291	C	S	.	.			trans	-104.2	4.3	-167.9	64.7	174.1	0	0	0	113.7	G153 V155 G166 M267 L271	G153-I168 PolarHBondContact O-N 2.9Å; V155-I168 HydrophobicContact CB-CD1 4.11Å; V155-I168 HydrophobicContact CB-CG1 4.34Å; V155-I168 HydrophobicContact CG2-CD1 4.08Å; V155-I168 HydrophobicContact CG2-CG1 3.88Å; G166-I168 PolarHBondContact O-N 2.98Å; G166-I168 VanDerWaalsContact O-N 3.15Å; I168-M267 HydrophobicContact CG2-CG 4.49Å; I168-M267 HydrophobicContact CG2-SD 3.96Å; I168-L271 HydrophobicContact CB-CD1 4Å; I168-L271 HydrophobicContact CB-CD2 4.19Å; I168-L271 HydrophobicContact CG2-CD1 4.26Å; I168-L271 HydrophobicContact CG2-CD2 3.93Å; I168-L271 HydrophobicContact CG2-CG 4.42Å
169	H	98.9	Very high	98.2	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.023	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131	-179.9	-164.8	53.3	0	0	0	110.9	C130 G152 G153 V155 D184 F187 Y252 F264	C130-H169 WeakPolarHBondContact CB-ND1 2.96Å; C130-H169 PolarHBondContact SG-ND1 2.89Å; G152-H169 CarbonylContact C-O 3.51Å; G152-H169 WeakPolarHBondContact CA-O 3.24Å; G153-H169 PolarHBondContact N-O 2.86Å; G153-H169 PolarHBondContact O-N 2.77Å; G153-H169 VanDerWaalsContact O-N 3.1Å; V155-H169 HydrophobicContact CG2-CB 3.95Å; H169-D184 IonicContact CD2-OD2 3.44Å; H169-D184 IonicContact CE1-OD1 3.43Å; H169-D184 IonicContact CE1-OD2 2.7Å; H169-D184 PolarHBondContact CE1-OD2 3.43Å; H169-D184 IonicContact NE2-OD1 3.56Å; H169-D184 IonicContact NE2-OD2 2.76Å; H169-D184 PolarHBondContact NE2-OD2 2.72Å; H169-F187 AromaticContact CE1-CD2 3.72Å; H169-F187 AromaticContact NE2-CD2 3.84Å; H169-Y252 AromaticContact CD2-CD1 3.79Å; H169-Y252 AromaticContact CD2-CE1 3.89Å; H169-Y252 AromaticContact NE2-CD1 3.97Å; H169-Y252 AromaticContact NE2-CE1 3.71Å; H169-F264 WeakPolarHBondContact O-CE1 3.48Å
170	L	98.9	Very high	98.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.5	169	169.8	63.9	0	0	0	107.8	L131 N134 H135 M150 I261 F264	L131-L170 HydrophobicContact CD2-CB 3.71Å; N134-L170 HydrophobicContact CB-CD2 4.01Å; N134-L170 HydrophobicContact CB-CG 3.96Å; N134-L170 PolarHBondContact ND2-O 2.89Å; H135-L170 HydrophobicContact CB-CD2 4.17Å; M150-L170 HydrophobicContact CB-CD1 3.78Å; M150-L170 HydrophobicContact CG-CD1 3.95Å; M150-L170 HydrophobicContact SD-CD1 4.02Å; L170-I261 HydrophobicContact CD2-CD1 4.14Å; L170-F264 HydrophobicContact CB-CE1 4.11Å; L170-F264 HydrophobicContact CB-CZ 4.07Å; L170-F264 HydrophobicContact CD1-CE2 3.81Å; L170-F264 HydrophobicContact CD1-CZ 3.81Å
171	L	98.9	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	169.8	172.3	68.7	162.8	0	0	0	109.4	L151 I182 D184 Y252 F254	L151-L171 HydrophobicContact CB-CD2 3.9Å; L151-L171 HydrophobicContact CB-CG 4Å; L151-L171 PolarHBondContact N-O 3.06Å; L151-L171 WeakPolarHBondContact O-CD2 3.3Å; L151-L171 PolarHBondContact O-N 2.84Å; L151-L171 VanDerWaalsContact O-N 3.13Å; L171-I182 HydrophobicContact CD1-CG2 3.79Å; L171-D184 HydrophobicContact CB-CB 4.25Å; L171-Y252 HydrophobicContact CD1-CE2 3.61Å; L171-F254 HydrophobicContact CD1-CB 4.46Å; L171-F254 HydrophobicContact CD1-CD1 3.89Å; L171-F254 HydrophobicContact CD1-CD2 4.2Å; L171-F254 HydrophobicContact CD1-CE1 4.12Å; L171-F254 HydrophobicContact CD1-CE2 4.41Å; L171-F254 HydrophobicContact CD1-CG 3.94Å; L171-F254 HydrophobicContact CD1-CZ 4.37Å; L171-F254 HydrophobicContact CD2-CB 4.03Å; L171-F254 HydrophobicContact CD2-CG 4.35Å
172	L	99	Very high	98.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.4	-175.5	-47.5	178.9	0	0	0	111.4	N134 L137 Y138 L141 T148 T149 M150 I182 V183	N134-L172 HydrophobicContact CB-CG 4.49Å; L137-L172 HydrophobicContact CB-CD1 4.05Å; L137-L172 HydrophobicContact CD2-CD1 4.03Å; L137-L172 HydrophobicContact CG-CD1 3.86Å; Y138-L172 HydrophobicContact CD2-CD2 4.14Å; Y138-L172 HydrophobicContact CG-CD2 4.41Å; L141-L172 HydrophobicContact CD1-CD1 4.31Å; T148-L172 HydrophobicContact CG2-CB 4.21Å; T148-L172 HydrophobicContact CG2-CD1 4.21Å; T149-L172 CarbonylContact O-C 3.52Å; T149-L172 WeakPolarHBondContact O-CA 3.5Å; M150-L172 HydrophobicContact CG-CD2 4.15Å; L172-I182 WeakPolarHBondContact O-CA 3.46Å; L172-V183 WeakPolarHBondContact CA-O 3.29Å; L172-V183 HydrophobicContact CB-CB 4.32Å; L172-V183 WeakPolarHBondContact CB-O 3.44Å; L172-V183 PolarHBondContact N-O 2.73Å; L172-V183 PolarHBondContact O-N 2.82Å
173	Q	98.9	Very high	98.5	Very high	23 Å²	23	37.6 Å²	37.6	11%	0.107	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.5	159.2	172.9	-179.9	-4	0	0	108.9	T148 T149 L151 N180 Y181 I182	T148-Q173 CarbonylContact C-O 3.48Å; T148-Q173 WeakPolarHBondContact CA-O 3.48Å; T149-Q173 PolarHBondContact N-O 2.89Å; T149-Q173 PolarHBondContact O-N 3.24Å; L151-Q173 HydrophobicContact CD1-CB 3.89Å; L151-Q173 HydrophobicContact CG-CB 4.3Å; Q173-N180 VanDerWaalsContact NE2-CG 3.28Å; Q173-N180 PolarHBondContact NE2-OD1 2.83Å; Q173-Y181 CarbonylContact C-O 3.58Å; Q173-Y181 VanDerWaalsContact CA-O 3.26Å; Q173-Y181 WeakPolarHBondContact CA-O 3.46Å; Q173-I182 HydrophobicContact CB-CD1 4.41Å
174	V	98.9	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.2	171.9	-179.2	0	0	0	0	109.7	L86 L141 F146 E147 T148 I176 Y181 V183	L86-V174 HydrophobicContact CD1-CG1 4.38Å; L86-V174 HydrophobicContact CD1-CG2 4.09Å; L86-V174 HydrophobicContact CD2-CB 3.93Å; L86-V174 HydrophobicContact CD2-CG1 3.88Å; L86-V174 HydrophobicContact CD2-CG2 4.28Å; L141-V174 HydrophobicContact CD1-CG2 4.02Å; F146-V174 HydrophobicContact CB-CG1 4.03Å; F146-V174 HydrophobicContact CD1-CG1 3.82Å; F146-V174 HydrophobicContact CG-CG1 4.21Å; E147-V174 VanDerWaalsContact O-CA 3.3Å; E147-V174 WeakPolarHBondContact O-CA 3.25Å; T148-V174 HydrophobicContact CG2-CG2 4.04Å; V174-I176 HydrophobicContact CG1-CD1 4.36Å; V174-I176 HydrophobicContact CG1-CG1 4.02Å; V174-Y181 PolarHBondContact N-O 2.78Å; V174-Y181 PolarHBondContact O-N 3.4Å; V174-V183 HydrophobicContact CB-CG2 4.31Å; V174-V183 HydrophobicContact CG2-CB 4.48Å; V174-V183 HydrophobicContact CG2-CG2 3.81Å
175	T	98.9	Very high	98.5	Very high	24 Å²	24	34.5 Å²	34.5	15%	0.147	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.9	175.3	-48.6	0	0	0	0	109.9	E147 R179 N180	E147-T175 PolarHBondContact O-N 2.92Å; E147-T175 PolarHBondContact OE1-OG1 2.95Å; E147-T175 VanDerWaalsContact OE1-OG1 3.08Å; T175-R179 CarbonylContact C-O 3.56Å; T175-R179 WeakPolarHBondContact CA-O 3.24Å; T175-N180 PolarHBondContact OG1-OD1 2.67Å
176	I	98.7	Very high	98.5	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	117.7	175.3	-55.2	177.2	0	0	0	108.1	L83 L86 F146 V174 G178 R179 Y181	L83-I176 HydrophobicContact CB-CD1 4.46Å; L86-I176 HydrophobicContact CB-CD1 4.2Å; L86-I176 HydrophobicContact CD2-CD1 3.83Å; F146-I176 HydrophobicContact CD1-CD1 4.18Å; F146-I176 HydrophobicContact CD1-CG1 4.17Å; F146-I176 HydrophobicContact CE1-CD1 3.74Å; F146-I176 HydrophobicContact CE1-CG1 4.16Å; V174-I176 HydrophobicContact CG1-CD1 4.36Å; V174-I176 HydrophobicContact CG1-CG1 4.02Å; I176-G178 PolarHBondContact O-N 3.33Å; I176-G178 VanDerWaalsContact O-N 3.14Å; I176-R179 PolarHBondContact N-O 2.98Å; I176-R179 WeakPolarHBondContact O-CB 3.3Å; I176-R179 PolarHBondContact O-N 3.39Å; I176-Y181 HydrophobicContact CB-CE2 4.23Å; I176-Y181 HydrophobicContact CD1-CE2 4.47Å
177	D	96.8	Very high	98.6	Very high	158 Å²	158	27.7 Å²	27.7	85%	0.845	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	43	177.6	-60.1	-30.1	0	0	0	113.5	R179	D177-R179 VanDerWaalsContact C-N 3.3Å; D177-R179 PolarHBondContact O-N 3.47Å
178	G	97.3	Very high	98.6	Very high	65 Å²	65	26.5 Å²	26.5	67%	0.67	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	2.9	-179.8	0	0	0	0	0	115.5	I176	I176-G178 PolarHBondContact O-N 3.33Å; I176-G178 VanDerWaalsContact O-N 3.14Å
179	R	98.6	Very high	98.6	Very high	140 Å²	140	25.6 Å²	25.6	53%	0.528	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.3	172.8	-61.5	178.9	-177.3	-121.5	5.9	110.7	T175 I176 D177 Y181 E198	T175-R179 CarbonylContact C-O 3.56Å; T175-R179 WeakPolarHBondContact CA-O 3.24Å; I176-R179 PolarHBondContact N-O 2.98Å; I176-R179 WeakPolarHBondContact O-CB 3.3Å; I176-R179 PolarHBondContact O-N 3.39Å; D177-R179 VanDerWaalsContact C-N 3.3Å; D177-R179 PolarHBondContact O-N 3.47Å; R179-Y181 HydrophobicContact CB-CE2 3.62Å; R179-Y181 VanDerWaalsContact CD-OH 3.27Å; R179-Y181 WeakPolarHBondContact CD-OH 3.36Å; R179-E198 IonicContact CZ-OE1 3.92Å; R179-E198 IonicContact NH1-OE1 2.89Å; R179-E198 PolarHBondContact NH1-OE1 3.14Å
180	N	98.9	Very high	98.6	Very high	59 Å²	59	25.5 Å²	25.5	32%	0.316	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.9	-179.8	-63.5	-59	0	0	0	110.4	Q173 T175 L199	Q173-N180 VanDerWaalsContact NE2-CG 3.28Å; Q173-N180 PolarHBondContact NE2-OD1 2.83Å; T175-N180 PolarHBondContact OG1-OD1 2.67Å; N180-L199 HydrophobicContact CB-CB 3.9Å; N180-L199 HydrophobicContact CB-CD2 3.95Å; N180-L199 WeakPolarHBondContact O-CB 3.46Å; N180-L199 PolarHBondContact O-N 2.85Å
181	Y	98.9	Very high	98.6	Very high	16 Å²	16	25.7 Å²	25.7	6%	0.063	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.1	176.7	-57.8	-91	0	0	0	110.7	L83 Q173 V174 I176 R179 P196 L197 E198	L83-Y181 HydrophobicContact CD1-CD1 3.9Å; L83-Y181 HydrophobicContact CD1-CD2 4.45Å; L83-Y181 HydrophobicContact CD1-CE1 3.73Å; L83-Y181 HydrophobicContact CD1-CE2 4.29Å; L83-Y181 HydrophobicContact CD1-CG 4.27Å; L83-Y181 HydrophobicContact CD2-CE1 3.88Å; L83-Y181 HydrophobicContact CG-CE1 4.43Å; Q173-Y181 CarbonylContact C-O 3.58Å; Q173-Y181 VanDerWaalsContact CA-O 3.26Å; Q173-Y181 WeakPolarHBondContact CA-O 3.46Å; V174-Y181 PolarHBondContact N-O 2.78Å; V174-Y181 PolarHBondContact O-N 3.4Å; I176-Y181 HydrophobicContact CB-CE2 4.23Å; I176-Y181 HydrophobicContact CD1-CE2 4.47Å; R179-Y181 HydrophobicContact CB-CE2 3.62Å; R179-Y181 VanDerWaalsContact CD-OH 3.27Å; R179-Y181 WeakPolarHBondContact CD-OH 3.36Å; Y181-P196 HydrophobicContact CD1-CB 4.12Å; Y181-P196 HydrophobicContact CG-CB 4.18Å; Y181-L197 CarbonylContact C-O 3.48Å; Y181-L197 VanDerWaalsContact CA-O 3.26Å; Y181-L197 WeakPolarHBondContact CA-O 3.4Å; Y181-E198 HydrophobicContact CD1-CB 3.97Å; Y181-E198 HydrophobicContact CD1-CG 4.25Å; Y181-E198 HydrophobicContact CE1-CB 3.86Å; Y181-E198 HydrophobicContact CE1-CG 3.84Å
182	I	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133	165.4	-61.5	-57.6	0	0	0	109.2	L151 L171 L172 Q173 M193 P196 L197 L199 L214 F254	L151-I182 HydrophobicContact CD1-CD1 3.92Å; L171-I182 HydrophobicContact CD1-CG2 3.79Å; L172-I182 WeakPolarHBondContact O-CA 3.46Å; Q173-I182 HydrophobicContact CB-CD1 4.41Å; I182-M193 HydrophobicContact CG2-CE 4.11Å; I182-P196 CarbonylContact O-C 3.41Å; I182-P196 VanDerWaalsContact O-CA 3.31Å; I182-P196 WeakPolarHBondContact O-CA 3.48Å; I182-L197 HydrophobicContact CB-CB 4.44Å; I182-L197 PolarHBondContact N-O 3.03Å; I182-L197 PolarHBondContact O-N 3.45Å; I182-L199 HydrophobicContact CD1-CD1 3.95Å; I182-L199 HydrophobicContact CG1-CD1 3.77Å; I182-L214 HydrophobicContact CB-CD1 4.38Å; I182-L214 HydrophobicContact CG1-CD1 3.95Å; I182-F254 HydrophobicContact CD1-CE2 3.61Å; I182-F254 HydrophobicContact CD1-CZ 3.7Å; I182-F254 HydrophobicContact CG1-CE2 4.22Å; I182-F254 HydrophobicContact CG1-CZ 3.77Å
183	V	98.9	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.3	177.8	-174.2	0	0	0	0	108.2	L86 L90 L137 L172 V174 P196	L86-V183 HydrophobicContact CD1-CG2 4.13Å; L86-V183 HydrophobicContact CD2-CG2 3.87Å; L86-V183 HydrophobicContact CG-CG2 4.25Å; L90-V183 HydrophobicContact CB-CG1 4.5Å; L90-V183 HydrophobicContact CD1-CG1 4.02Å; L90-V183 HydrophobicContact CD2-CG1 4.31Å; L90-V183 HydrophobicContact CG-CG1 4.5Å; L137-V183 HydrophobicContact CD2-CG1 3.75Å; L172-V183 WeakPolarHBondContact CA-O 3.29Å; L172-V183 HydrophobicContact CB-CB 4.32Å; L172-V183 WeakPolarHBondContact CB-O 3.44Å; L172-V183 PolarHBondContact N-O 2.73Å; L172-V183 PolarHBondContact O-N 2.82Å; V174-V183 HydrophobicContact CB-CG2 4.31Å; V174-V183 HydrophobicContact CG2-CB 4.48Å; V174-V183 HydrophobicContact CG2-CG2 3.81Å; V183-P196 HydrophobicContact CG2-CB 3.94Å; V183-P196 HydrophobicContact CG2-CG 4.15Å
184	D	98.9	Very high	98.6	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.011	14%	0.139	C	C	.	.			trans	-146.5	120.9	179.7	178.6	4.5	0	0	0	108.2	N134 H169 L171 G186 F187 Q192 M193 Y252	N134-D184 PolarHBondContact ND2-OD1 3.42Å; H169-D184 IonicContact CD2-OD2 3.44Å; H169-D184 IonicContact CE1-OD1 3.43Å; H169-D184 IonicContact CE1-OD2 2.7Å; H169-D184 PolarHBondContact CE1-OD2 3.43Å; H169-D184 IonicContact NE2-OD1 3.56Å; H169-D184 IonicContact NE2-OD2 2.76Å; H169-D184 PolarHBondContact NE2-OD2 2.72Å; L171-D184 HydrophobicContact CB-CB 4.25Å; D184-G186 WeakPolarHBondContact OD1-CA 3.39Å; D184-G186 PolarHBondContact OD1-N 3.33Å; D184-F187 PolarHBondContact OD1-N 2.76Å; D184-Q192 PolarHBondContact O-NE2 3.48Å; D184-M193 HydrophobicContact CB-CE 3.81Å; D184-M193 HydrophobicContact CB-SD 4.14Å; D184-M193 WeakPolarHBondContact O-CG 3.24Å; D184-Y252 PolarHBondContact OD2-OH 3.21Å
185	A	98.9	Very high	98.6	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.041	16%	0.157	C	C	.	.	S	Bend	trans	-108.2	7.8	175	0	0	0	0	0	112.5	L90 Q93 I94 N134 L137	L90-A185 HydrophobicContact CD1-CB 3.9Å; Q93-A185 HydrophobicContact CG-CB 4.42Å; I94-A185 HydrophobicContact CG2-CB 3.69Å; N134-A185 PolarHBondContact OD1-N 2.83Å; L137-A185 HydrophobicContact CD2-CB 3.86Å
186	G	97.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-123.1	9.9	-162.7	0	0	0	0	0	115.4	F99 C130 N134 D184	F99-G186 WeakPolarHBondContact CD2-O 3.22Å; F99-G186 WeakPolarHBondContact CE2-O 3.23Å; C130-G186 WeakPolarHBondContact CB-O 3.42Å; N134-G186 PolarHBondContact OD1-N 3.13Å; D184-G186 WeakPolarHBondContact OD1-CA 3.39Å; D184-G186 PolarHBondContact OD1-N 3.33Å
187	F	98.4	Very high	98.6	Very high	11 Å²	11	28 Å²	28	5%	0.048	15%	0.15	C	C	.	.	S	Bend	trans	-92.1	-38.9	170.2	-154.2	-77.6	0	0	0	111.7	V155 H169 D184 R189 Y191 I251 Y252	V155-F187 HydrophobicContact CG1-CE2 3.98Å; V155-F187 HydrophobicContact CG1-CZ 3.98Å; V155-F187 HydrophobicContact CG2-CE2 4.15Å; H169-F187 AromaticContact CE1-CD2 3.72Å; H169-F187 AromaticContact NE2-CD2 3.84Å; D184-F187 PolarHBondContact OD1-N 2.76Å; F187-R189 VanDerWaalsContact CE1-NH2 3.29Å; F187-R189 PolarHBondContact O-NH1 2.91Å; F187-Y191 HydrophobicContact CD1-CD2 4.05Å; F187-Y191 AromaticContact CD1-CG 3.81Å; F187-Y191 HydrophobicContact CD1-CG 3.81Å; F187-Y191 VanDerWaalsContact CE1-CB 3.46Å; F187-Y191 HydrophobicContact CE1-CD1 4.12Å; F187-Y191 AromaticContact CE1-CD2 3.66Å; F187-Y191 HydrophobicContact CE1-CD2 3.66Å; F187-Y191 HydrophobicContact CE1-CE2 4.47Å; F187-Y191 AromaticContact CE1-CG 3.46Å; F187-Y191 HydrophobicContact CE1-CG 3.46Å; F187-Y191 VanDerWaalsContact CE1-CG 3.46Å; F187-I251 HydrophobicContact CD1-CG2 4.19Å; F187-I251 HydrophobicContact CD2-CG2 4.03Å; F187-I251 HydrophobicContact CE1-CG2 3.73Å; F187-I251 HydrophobicContact CE2-CG2 3.6Å; F187-I251 HydrophobicContact CG-CG2 4.29Å; F187-I251 HydrophobicContact CZ-CG2 3.41Å; F187-I251 VanDerWaalsContact CZ-CG2 3.41Å; F187-Y252 AromaticContact CD2-CD1 3.64Å; F187-Y252 HydrophobicContact CD2-CD1 3.64Å; F187-Y252 AromaticContact CD2-CE1 3.96Å; F187-Y252 HydrophobicContact CD2-CE1 3.96Å; F187-Y252 AromaticContact CE2-CD1 3.72Å; F187-Y252 HydrophobicContact CE2-CD1 3.72Å; F187-Y252 HydrophobicContact CE2-CE1 4.47Å
188	G	97.9	Very high	98.7	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	12%	0.115	C	C	.	.			trans	69.1	-172.7	175.3	0	0	0	0	0	115.5	Y191 Q192	G188-Y191 PolarHBondContact O-N 3.41Å; G188-Q192 PolarHBondContact O-N 3.18Å
189	R	98.8	Very high	98.7	Very high	16 Å²	16	19.6 Å²	19.6	6%	0.06	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	51.2	-150.9	-174.7	-55.5	94.4	65.7	-161.8	-10.1	112	F187 Y191 S286 Q288 C295 F350 T351 I352	F187-R189 VanDerWaalsContact CE1-NH2 3.29Å; F187-R189 PolarHBondContact O-NH1 2.91Å; R189-Y191 HydrophobicContact CB-CD2 4.16Å; R189-Y191 PolarHBondContact O-N 3.45Å; R189-S286 WeakPolarHBondContact CA-OG 3.34Å; R189-S286 PolarHBondContact N-OG 2.87Å; R189-Q288 PolarHBondContact O-NE2 3.15Å; R189-C295 HydrophobicContact CG-CB 4.3Å; R189-F350 HydrophobicContact CG-CE1 4.49Å; R189-F350 HydrophobicContact CG-CZ 4.44Å; R189-T351 PolarHBondContact NE-O 3.23Å; R189-I352 WeakPolarHBondContact CB-OXT 3.09Å; R189-I352 HydrophobicContact CG-CG2 4.39Å
190	S	98.6	Very high	98.8	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.021	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-77.5	4.2	176.6	59.4	0	0	0	0	115.4	Q225 R227 I352	S190-Q225 PolarHBondContact O-NE2 3.35Å; S190-R227 PolarHBondContact OG-NH1 2.88Å; S190-R227 PolarHBondContact OG-NH2 2.8Å; S190-I352 WeakPolarHBondContact CB-OXT 3.38Å; S190-I352 PolarHBondContact N-OXT 3.31Å; S190-I352 PolarHBondContact OG-O 3.35Å; S190-I352 PolarHBondContact OG-OXT 2.99Å
191	Y	98.8	Very high	98.7	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.012	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-91.3	-11.3	175.5	-58.3	-78.3	0	0	0	112.7	F187 G188 R189 F212 R249 I251 T351	F187-Y191 HydrophobicContact CD1-CD2 4.05Å; F187-Y191 AromaticContact CD1-CG 3.81Å; F187-Y191 HydrophobicContact CD1-CG 3.81Å; F187-Y191 VanDerWaalsContact CE1-CB 3.46Å; F187-Y191 HydrophobicContact CE1-CD1 4.12Å; F187-Y191 AromaticContact CE1-CD2 3.66Å; F187-Y191 HydrophobicContact CE1-CD2 3.66Å; F187-Y191 HydrophobicContact CE1-CE2 4.47Å; F187-Y191 AromaticContact CE1-CG 3.46Å; F187-Y191 HydrophobicContact CE1-CG 3.46Å; F187-Y191 VanDerWaalsContact CE1-CG 3.46Å; G188-Y191 PolarHBondContact O-N 3.41Å; R189-Y191 HydrophobicContact CB-CD2 4.16Å; R189-Y191 PolarHBondContact O-N 3.45Å; Y191-F212 WeakPolarHBondContact O-CE1 3.31Å; Y191-F212 WeakPolarHBondContact O-CZ 3.43Å; Y191-R249 HydrophobicContact CE1-CG 3.77Å; Y191-R249 PolarHBondContact OH-NH1 3.46Å; Y191-R249 PolarHBondContact OH-NH2 2.78Å; Y191-I251 HydrophobicContact CD1-CD1 4.13Å; Y191-I251 HydrophobicContact CD1-CG1 4.1Å; Y191-I251 HydrophobicContact CD1-CG2 4.26Å; Y191-T351 WeakPolarHBondContact CE2-O 3.32Å; Y191-T351 PolarHBondContact OH-OG1 3.09Å
192	Q	98.9	Very high	98.7	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.014	10%	0.103	C	C	.	.			trans	-71.3	124.9	-173.1	-176.8	51.5	62.7	0	0	111.7	I94 D184 G188 Q288	I94-Q192 HydrophobicContact CB-CG 4.39Å; I94-Q192 HydrophobicContact CD1-CG 4.33Å; I94-Q192 HydrophobicContact CG2-CG 4.2Å; D184-Q192 PolarHBondContact O-NE2 3.48Å; G188-Q192 PolarHBondContact O-N 3.18Å; Q192-Q288 HydrophobicContact CB-CG 4.36Å; Q192-Q288 HydrophobicContact CG-CG 3.76Å
193	M	98.9	Very high	98.7	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.12	C	C	.	.			trans	-69.5	142.8	169.3	65.1	-174.4	68.2	0	0	111	L90 I182 D184 L197 F212 L223	L90-M193 HydrophobicContact CD2-CG 4.32Å; I182-M193 HydrophobicContact CG2-CE 4.11Å; D184-M193 HydrophobicContact CB-CE 3.81Å; D184-M193 HydrophobicContact CB-SD 4.14Å; D184-M193 WeakPolarHBondContact O-CG 3.24Å; M193-L197 HydrophobicContact CE-CD1 3.69Å; M193-L197 HydrophobicContact CE-CG 4.24Å; M193-L197 HydrophobicContact SD-CD1 4.35Å; M193-L197 HydrophobicContact SD-CG 4.25Å; M193-F212 HydrophobicContact CB-CE2 4.07Å; M193-F212 HydrophobicContact CB-CZ 4.22Å; M193-L223 HydrophobicContact CE-CD2 4.07Å
194	W	98.9	Very high	98.7	Very high	13 Å²	13	25 Å²	25	5%	0.049	14%	0.139	C	C	.	.	S	Bend	trans	-103.5	-10.4	175.9	-78.4	22.8	0	0	0	112.6	Q91 I94 V208 P209 T289 P290 F306	Q91-W194 WeakPolarHBondContact CG-O 3.35Å; Q91-W194 PolarHBondContact NE2-O 3.11Å; I94-W194 HydrophobicContact CD1-CG 4.21Å; W194-V208 HydrophobicContact CD2-CB 4.25Å; W194-V208 HydrophobicContact CE3-CB 3.56Å; W194-V208 HydrophobicContact CE3-CG1 4.02Å; W194-V208 HydrophobicContact CE3-CG2 3.87Å; W194-V208 HydrophobicContact CH2-CB 4.22Å; W194-V208 HydrophobicContact CH2-CG1 3.73Å; W194-V208 HydrophobicContact CZ2-CG1 4.46Å; W194-V208 HydrophobicContact CZ3-CB 3.54Å; W194-V208 HydrophobicContact CZ3-CG1 3.48Å; W194-V208 VanDerWaalsContact CZ3-CG1 3.48Å; W194-V208 HydrophobicContact CZ3-CG2 3.82Å; W194-P209 HydrophobicContact CB-CG 4.42Å; W194-P209 VanDerWaalsContact CD1-CG 3.42Å; W194-P209 HydrophobicContact CD2-CG 3.91Å; W194-P209 HydrophobicContact CG-CG 3.68Å; W194-T289 VanDerWaalsContact CH2-O 3.26Å; W194-T289 WeakPolarHBondContact CH2-O 3.43Å; W194-T289 VanDerWaalsContact CZ2-O 3.29Å; W194-T289 WeakPolarHBondContact CZ2-O 3.15Å; W194-P290 WeakPolarHBondContact CH2-O 3.23Å; W194-P290 WeakPolarHBondContact CZ3-O 3.49Å; W194-F306 HydrophobicContact CH2-CD2 4.16Å; W194-F306 HydrophobicContact CH2-CE2 4.49Å; W194-F306 AromaticContact CZ2-CD2 3.79Å; W194-F306 HydrophobicContact CZ2-CD2 3.79Å; W194-F306 AromaticContact CZ2-CE2 3.68Å; W194-F306 HydrophobicContact CZ2-CE2 3.68Å
195	Q	98.9	Very high	98.7	Very high	79 Å²	79	25.9 Å²	25.9	37%	0.369	14%	0.143	S	C	.	.	S	Bend	trans	-140.4	148.5	176	-55.1	168	59.6	0	0	108.4	T87 L197 Q207	T87-Q195 HydrophobicContact CG2-CB 4.2Å; T87-Q195 HydrophobicContact CG2-CG 3.89Å; Q195-L197 PolarHBondContact O-N 3.09Å; Q195-Q207 VanDerWaalsContact N-OE1 3.16Å; Q195-Q207 PolarHBondContact O-NE2 3.42Å
196	P	98.9	Very high	98.7	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.058	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-52.7	134.6	171	-24.6	34.9	0	0	0	110.9	L83 L86 T87 L90 Y181 I182 V183	L83-P196 HydrophobicContact CD1-CB 4.02Å; L83-P196 HydrophobicContact CD1-CG 3.97Å; L86-P196 HydrophobicContact CB-CG 4.45Å; L86-P196 HydrophobicContact CD2-CB 3.97Å; L86-P196 HydrophobicContact CD2-CG 3.61Å; L86-P196 HydrophobicContact CG-CG 3.65Å; T87-P196 WeakPolarHBondContact OG1-CD 3.38Å; L90-P196 HydrophobicContact CD2-CG 4.36Å; Y181-P196 HydrophobicContact CD1-CB 4.12Å; Y181-P196 HydrophobicContact CG-CB 4.18Å; I182-P196 CarbonylContact O-C 3.41Å; I182-P196 VanDerWaalsContact O-CA 3.31Å; I182-P196 WeakPolarHBondContact O-CA 3.48Å; V183-P196 HydrophobicContact CG2-CB 3.94Å; V183-P196 HydrophobicContact CG2-CG 4.15Å
197	L	98.9	Very high	98.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.2	179.1	-66	174.8	0	0	0	109.5	Y181 I182 M193 Q195 L199 Q205 F212 L214 L223	Y181-L197 CarbonylContact C-O 3.48Å; Y181-L197 VanDerWaalsContact CA-O 3.26Å; Y181-L197 WeakPolarHBondContact CA-O 3.4Å; I182-L197 HydrophobicContact CB-CB 4.44Å; I182-L197 PolarHBondContact N-O 3.03Å; I182-L197 PolarHBondContact O-N 3.45Å; M193-L197 HydrophobicContact CE-CD1 3.69Å; M193-L197 HydrophobicContact CE-CG 4.24Å; M193-L197 HydrophobicContact SD-CD1 4.35Å; M193-L197 HydrophobicContact SD-CG 4.25Å; Q195-L197 PolarHBondContact O-N 3.09Å; L197-L199 PolarHBondContact O-N 3.37Å; L197-Q205 HydrophobicContact CD2-CB 3.82Å; L197-Q205 HydrophobicContact CD2-CG 4.42Å; L197-F212 HydrophobicContact CD1-CB 3.84Å; L197-F212 HydrophobicContact CD1-CD1 4.4Å; L197-F212 HydrophobicContact CD1-CG 4.04Å; L197-F212 HydrophobicContact CD2-CB 3.65Å; L197-F212 HydrophobicContact CD2-CD2 4.14Å; L197-F212 HydrophobicContact CD2-CG 4.14Å; L197-F212 HydrophobicContact CG-CB 4.44Å; L197-L214 HydrophobicContact CB-CD1 3.74Å; L197-L214 HydrophobicContact CD1-CD1 4.48Å; L197-L223 HydrophobicContact CD1-CD1 3.42Å; L197-L223 VanDerWaalsContact CD1-CD1 3.42Å; L197-L223 HydrophobicContact CD1-CD2 4.29Å
198	E	98.9	Very high	98.8	Very high	24 Å²	24	33.5 Å²	33.5	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	132.3	176.1	-160.3	177.4	-161.2	0	0	109.2	R179 Y181 I200 K203 Q205	R179-E198 IonicContact CZ-OE1 3.92Å; R179-E198 IonicContact NH1-OE1 2.89Å; R179-E198 PolarHBondContact NH1-OE1 3.14Å; Y181-E198 HydrophobicContact CD1-CB 3.97Å; Y181-E198 HydrophobicContact CD1-CG 4.25Å; Y181-E198 HydrophobicContact CE1-CB 3.86Å; Y181-E198 HydrophobicContact CE1-CG 3.84Å; E198-I200 VanDerWaalsContact CD-CD1 3.42Å; E198-I200 HydrophobicContact CG-CD1 3.83Å; E198-I200 HydrophobicContact CG-CG1 4.01Å; E198-I200 PolarHBondContact O-N 3.45Å; E198-I200 WeakPolarHBondContact OE2-CD1 3.41Å; E198-K203 IonicContact OE2-NZ 2.63Å; E198-K203 PolarHBondContact OE2-NZ 2.88Å; E198-Q205 PolarHBondContact O-NE2 3.17Å
199	L	98.8	Very high	98.8	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.12	19%	0.19	C	C	.	.			trans	-78.7	66.7	-174	-167.4	71.5	0	0	0	111	N180 I182 L197 L214 W221 F254 L256	N180-L199 HydrophobicContact CB-CB 3.9Å; N180-L199 HydrophobicContact CB-CD2 3.95Å; N180-L199 WeakPolarHBondContact O-CB 3.46Å; N180-L199 PolarHBondContact O-N 2.85Å; I182-L199 HydrophobicContact CD1-CD1 3.95Å; I182-L199 HydrophobicContact CG1-CD1 3.77Å; L197-L199 PolarHBondContact O-N 3.37Å; L199-L214 HydrophobicContact CD1-CD1 4.2Å; L199-W221 HydrophobicContact CD1-CD2 3.63Å; L199-W221 HydrophobicContact CD1-CE3 3.67Å; L199-W221 HydrophobicContact CD1-CG 4.23Å; L199-W221 HydrophobicContact CD1-CH2 4.02Å; L199-W221 HydrophobicContact CD1-CZ2 4.01Å; L199-W221 HydrophobicContact CD1-CZ3 3.85Å; L199-W221 HydrophobicContact CD2-CZ2 4.22Å; L199-W221 HydrophobicContact CG-CD2 4.29Å; L199-W221 HydrophobicContact CG-CE3 4.32Å; L199-W221 HydrophobicContact CG-CH2 3.73Å; L199-W221 HydrophobicContact CG-CZ2 3.71Å; L199-W221 HydrophobicContact CG-CZ3 4.04Å; L199-W221 WeakPolarHBondContact O-CH2 3.12Å; L199-F254 HydrophobicContact CD1-CE2 4.33Å; L199-F254 HydrophobicContact CD1-CZ 4.16Å; L199-L256 HydrophobicContact CD1-CD2 4.28Å; L199-L256 HydrophobicContact CD2-CD1 3.8Å; L199-L256 HydrophobicContact CD2-CD2 3.7Å; L199-L256 HydrophobicContact CD2-CG 4.4Å
200	I	98.8	Very high	98.8	Very high	72 Å²	72	33 Å²	33	37%	0.369	19%	0.189	S	C	.	.			trans	-121.9	116.5	179.5	-61.5	176.5	0	0	0	108.9	E198 G202 K203	E198-I200 VanDerWaalsContact CD-CD1 3.42Å; E198-I200 HydrophobicContact CG-CD1 3.83Å; E198-I200 HydrophobicContact CG-CG1 4.01Å; E198-I200 PolarHBondContact O-N 3.45Å; E198-I200 WeakPolarHBondContact OE2-CD1 3.41Å; I200-G202 PolarHBondContact O-N 3.22Å; I200-K203 HydrophobicContact CB-CB 4.01Å; I200-K203 HydrophobicContact CB-CD 4.1Å; I200-K203 HydrophobicContact CD1-CD 4Å; I200-K203 HydrophobicContact CG2-CB 3.87Å; I200-K203 HydrophobicContact CG2-CD 4.28Å; I200-K203 PolarHBondContact O-N 3.11Å
201	S	98.8	Very high	98.8	Very high	59 Å²	59	35.6 Å²	35.6	41%	0.413	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	130.6	-178.3	-174	0	0	0	0	111.6	K203 L214 E216	S201-K203 PolarHBondContact O-N 3.06Å; S201-L214 CarbonylContact C-O 3.57Å; S201-L214 WeakPolarHBondContact CA-O 3.38Å; S201-E216 PolarHBondContact OG-N 2.85Å
202	G	98.6	Very high	98.8	Very high	42 Å²	42	35.4 Å²	35.4	43%	0.433	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-3.7	176.7	0	0	0	0	0	115.4	I200 D204 L214	I200-G202 PolarHBondContact O-N 3.22Å; G202-D204 PolarHBondContact O-N 3.22Å; G202-L214 PolarHBondContact N-O 3.34Å
203	K	98.8	Very high	98.8	Very high	82 Å²	82	38.6 Å²	38.6	36%	0.357	21%	0.213	S	C	.	.			trans	-73.5	124.9	-180	-178.2	176.9	175	177.5	0	110.9	E198 I200 S201 Q205	E198-K203 IonicContact OE2-NZ 2.63Å; E198-K203 PolarHBondContact OE2-NZ 2.88Å; I200-K203 HydrophobicContact CB-CB 4.01Å; I200-K203 HydrophobicContact CB-CD 4.1Å; I200-K203 HydrophobicContact CD1-CD 4Å; I200-K203 HydrophobicContact CG2-CB 3.87Å; I200-K203 HydrophobicContact CG2-CD 4.28Å; I200-K203 PolarHBondContact O-N 3.11Å; S201-K203 PolarHBondContact O-N 3.06Å; K203-Q205 HydrophobicContact CD-CG 4.43Å; K203-Q205 HydrophobicContact CG-CG 4.13Å
204	D	98.9	Very high	98.8	Very high	74 Å²	74	38.5 Å²	38.5	40%	0.396	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.1	167.7	-77.5	-22.7	0	0	0	110.7	G202 P206 I211 R213	G202-D204 PolarHBondContact O-N 3.22Å; D204-P206 WeakPolarHBondContact O-CD 3.44Å; D204-I211 HydrophobicContact CB-CG2 3.87Å; D204-R213 IonicContact OD1-CZ 3.87Å; D204-R213 IonicContact OD1-NE 3.89Å; D204-R213 PolarHBondContact OD1-NE 2.91Å; D204-R213 IonicContact OD1-NH2 2.85Å; D204-R213 PolarHBondContact OD1-NH2 3.29Å; D204-R213 IonicContact OD2-NH2 3.77Å; D204-R213 PolarHBondContact OD2-NH2 3.24Å
205	Q	98.8	Very high	98.8	Very high	20 Å²	20	40 Å²	40	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	84.5	-177.8	-59.8	-170.6	68.5	0	0	109.3	L197 E198 K203 Q207 F212	L197-Q205 HydrophobicContact CD2-CB 3.82Å; L197-Q205 HydrophobicContact CD2-CG 4.42Å; E198-Q205 PolarHBondContact O-NE2 3.17Å; K203-Q205 HydrophobicContact CD-CG 4.43Å; K203-Q205 HydrophobicContact CG-CG 4.13Å; Q205-Q207 PolarHBondContact O-N 3.11Å; Q205-F212 PolarHBondContact N-O 3.43Å; Q205-F212 PolarHBondContact O-N 3.49Å
206	P	98.8	Very high	98.8	Very high	95 Å²	95	40 Å²	40	62%	0.617	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.7	178.6	-20.3	33	0	0	0	111.4	D204 I211	D204-P206 WeakPolarHBondContact O-CD 3.44Å; P206-I211 HydrophobicContact CB-CG1 4.22Å; P206-I211 HydrophobicContact CG-CG1 4.39Å
207	Q	98.8	Very high	98.8	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.075	25%	0.245	C	C	.	.			trans	-131.2	173.4	171.9	-60.4	-171.1	6.8	0	0	109.6	Q195 Q205 C210 F212	Q195-Q207 VanDerWaalsContact N-OE1 3.16Å; Q195-Q207 PolarHBondContact O-NE2 3.42Å; Q205-Q207 PolarHBondContact O-N 3.11Å; Q207-C210 CarbonylContact C-O 3.57Å; Q207-C210 PolarHBondContact N-O 3.43Å; Q207-C210 PolarHBondContact O-N 2.84Å; Q207-C210 VanDerWaalsContact O-O 3.11Å; Q207-F212 HydrophobicContact CB-CD2 4.41Å; Q207-F212 HydrophobicContact CB-CE2 4.47Å; Q207-F212 HydrophobicContact CG-CD2 4.21Å
208	V	98.7	Very high	98.7	Very high	66 Å²	66	51.6 Å²	51.6	40%	0.4	28%	0.282	S	S	.	.	S	Bend	trans	-55.5	-48	176.6	175.4	0	0	0	0	111.4	W194 C210 R228 F306	W194-V208 HydrophobicContact CD2-CB 4.25Å; W194-V208 HydrophobicContact CE3-CB 3.56Å; W194-V208 HydrophobicContact CE3-CG1 4.02Å; W194-V208 HydrophobicContact CE3-CG2 3.87Å; W194-V208 HydrophobicContact CH2-CB 4.22Å; W194-V208 HydrophobicContact CH2-CG1 3.73Å; W194-V208 HydrophobicContact CZ2-CG1 4.46Å; W194-V208 HydrophobicContact CZ3-CB 3.54Å; W194-V208 HydrophobicContact CZ3-CG1 3.48Å; W194-V208 VanDerWaalsContact CZ3-CG1 3.48Å; W194-V208 HydrophobicContact CZ3-CG2 3.82Å; V208-C210 PolarHBondContact O-N 3.06Å; V208-R228 VanDerWaalsContact O-CZ 3.29Å; V208-R228 PolarHBondContact O-NH1 3.4Å; V208-R228 PolarHBondContact O-NH2 3.06Å; V208-F306 HydrophobicContact CG1-CB 3.88Å; V208-F306 HydrophobicContact CG1-CD2 4.08Å; V208-F306 HydrophobicContact CG1-CG 4.32Å
209	P	98.6	Very high	98.7	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.019	30%	0.298	C	S	.	.	S	Bend	trans	-63.5	-45	-178.5	-25.4	37.2	0	0	0	113.8	W194 R228 F306	W194-P209 HydrophobicContact CB-CG 4.42Å; W194-P209 VanDerWaalsContact CD1-CG 3.42Å; W194-P209 HydrophobicContact CD2-CG 3.91Å; W194-P209 HydrophobicContact CG-CG 3.68Å; P209-R228 PolarHBondContact O-NH1 2.86Å; P209-R228 VanDerWaalsContact O-NH1 3.07Å; P209-F306 HydrophobicContact CB-CD1 4.42Å; P209-F306 HydrophobicContact CB-CE1 3.91Å; P209-F306 HydrophobicContact CB-CE2 4.05Å; P209-F306 HydrophobicContact CB-CZ 3.72Å; P209-F306 HydrophobicContact CG-CD2 4.47Å; P209-F306 HydrophobicContact CG-CE2 4Å; P209-F306 HydrophobicContact CG-CZ 4.14Å
210	C	98.8	Very high	98.7	Very high	4 Å²	4	55 Å²	55	3%	0.027	31%	0.307	C	S	.	.			trans	-171.8	-179.8	-173	55.3	0	0	0	0	110.5	Q207 V208 F212 Q225 I226	Q207-C210 CarbonylContact C-O 3.57Å; Q207-C210 PolarHBondContact N-O 3.43Å; Q207-C210 PolarHBondContact O-N 2.84Å; Q207-C210 VanDerWaalsContact O-O 3.11Å; V208-C210 PolarHBondContact O-N 3.06Å; C210-F212 VanDerWaalsContact SG-CE1 3.57Å; C210-F212 WeakPolarHBondContact SG-CE2 3.26Å; C210-F212 WeakPolarHBondContact SG-CZ 3.24Å; C210-Q225 HydrophobicContact CB-CB 4.23Å; C210-Q225 PolarHBondContact SG-NE2 2.76Å; C210-I226 WeakPolarHBondContact CB-O 3.35Å
211	I	98.9	Very high	98.7	Very high	58 Å²	58	52.8 Å²	52.8	30%	0.297	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.9	162.5	-55.9	172.1	0	0	0	107.5	D204 P206 Q225 I226	D204-I211 HydrophobicContact CB-CG2 3.87Å; P206-I211 HydrophobicContact CB-CG1 4.22Å; P206-I211 HydrophobicContact CG-CG1 4.39Å; I211-Q225 CarbonylContact O-C 3.58Å; I211-Q225 VanDerWaalsContact O-CA 3.28Å; I211-Q225 WeakPolarHBondContact O-CA 3.44Å; I211-I226 HydrophobicContact CB-CB 4.28Å; I211-I226 HydrophobicContact CG2-CD1 4.48Å; I211-I226 PolarHBondContact N-O 2.93Å; I211-I226 PolarHBondContact O-N 2.9Å
212	F	98.9	Very high	98.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	151.6	170.7	-69.9	-76.8	0	0	0	110.6	Y191 M193 L197 Q205 Q207 C210 L223 D224 Q225 I251	Y191-F212 WeakPolarHBondContact O-CE1 3.31Å; Y191-F212 WeakPolarHBondContact O-CZ 3.43Å; M193-F212 HydrophobicContact CB-CE2 4.07Å; M193-F212 HydrophobicContact CB-CZ 4.22Å; L197-F212 HydrophobicContact CD1-CB 3.84Å; L197-F212 HydrophobicContact CD1-CD1 4.4Å; L197-F212 HydrophobicContact CD1-CG 4.04Å; L197-F212 HydrophobicContact CD2-CB 3.65Å; L197-F212 HydrophobicContact CD2-CD2 4.14Å; L197-F212 HydrophobicContact CD2-CG 4.14Å; L197-F212 HydrophobicContact CG-CB 4.44Å; Q205-F212 PolarHBondContact N-O 3.43Å; Q205-F212 PolarHBondContact O-N 3.49Å; Q207-F212 HydrophobicContact CB-CD2 4.41Å; Q207-F212 HydrophobicContact CB-CE2 4.47Å; Q207-F212 HydrophobicContact CG-CD2 4.21Å; C210-F212 VanDerWaalsContact SG-CE1 3.57Å; C210-F212 WeakPolarHBondContact SG-CE2 3.26Å; C210-F212 WeakPolarHBondContact SG-CZ 3.24Å; F212-L223 HydrophobicContact CB-CD1 4.12Å; F212-L223 HydrophobicContact CD1-CD1 3.84Å; F212-L223 HydrophobicContact CD1-CD2 4.37Å; F212-L223 HydrophobicContact CD1-CG 4.31Å; F212-L223 HydrophobicContact CG-CD1 4.36Å; F212-D224 WeakPolarHBondContact CA-O 3.46Å; F212-Q225 HydrophobicContact CD1-CB 4.07Å; F212-Q225 HydrophobicContact CE1-CB 4.19Å; F212-I251 HydrophobicContact CD1-CD1 4.14Å; F212-I251 HydrophobicContact CE1-CD1 3.71Å
213	R	98.9	Very high	98.7	Very high	70 Å²	70	50.2 Å²	50.2	26%	0.264	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.6	172	-171.7	179.5	-65.1	170.3	-3.5	109.4	D204 D224	D204-R213 IonicContact OD1-CZ 3.87Å; D204-R213 IonicContact OD1-NE 3.89Å; D204-R213 PolarHBondContact OD1-NE 2.91Å; D204-R213 IonicContact OD1-NH2 2.85Å; D204-R213 PolarHBondContact OD1-NH2 3.29Å; D204-R213 IonicContact OD2-NH2 3.77Å; D204-R213 PolarHBondContact OD2-NH2 3.24Å; R213-D224 PolarHBondContact N-O 2.92Å; R213-D224 PolarHBondContact O-N 2.82Å
214	L	98.9	Very high	98.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.8	167	-76.4	167.9	0	0	0	107.7	I182 L197 L199 S201 G202 W221 Y222 L223 F254	I182-L214 HydrophobicContact CB-CD1 4.38Å; I182-L214 HydrophobicContact CG1-CD1 3.95Å; L197-L214 HydrophobicContact CB-CD1 3.74Å; L197-L214 HydrophobicContact CD1-CD1 4.48Å; L199-L214 HydrophobicContact CD1-CD1 4.2Å; S201-L214 CarbonylContact C-O 3.57Å; S201-L214 WeakPolarHBondContact CA-O 3.38Å; G202-L214 PolarHBondContact N-O 3.34Å; L214-W221 HydrophobicContact CB-CE3 3.98Å; L214-W221 HydrophobicContact CB-CZ3 4.08Å; L214-Y222 CarbonylContact C-O 3.07Å; L214-Y222 VanDerWaalsContact CA-O 3.3Å; L214-Y222 WeakPolarHBondContact CA-O 3.38Å; L214-L223 HydrophobicContact CD2-CB 4.02Å; L214-L223 HydrophobicContact CD2-CD1 3.96Å; L214-L223 HydrophobicContact CG-CD1 4.18Å; L214-F254 HydrophobicContact CD2-CE1 3.78Å; L214-F254 HydrophobicContact CD2-CZ 3.89Å
215	T	98.9	Very high	98.7	Very high	45 Å²	45	43.2 Å²	43.2	28%	0.276	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.6	175.5	-50.4	0	0	0	0	108.6	W221 Y222	T215-W221 CarbonylContact O-C 3.51Å; T215-W221 WeakPolarHBondContact O-CA 3.33Å; T215-Y222 PolarHBondContact N-O 3.37Å; T215-Y222 WeakPolarHBondContact O-CD2 3.49Å; T215-Y222 PolarHBondContact O-N 3.04Å
216	E	98.8	Very high	98.7	Very high	77 Å²	77	45 Å²	45	36%	0.36	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.3	172.6	-167.5	-78.7	145.4	0	0	109.4	S201 N218 G219 F220 W221	S201-E216 PolarHBondContact OG-N 2.85Å; E216-N218 PolarHBondContact OE1-N 2.96Å; E216-G219 WeakPolarHBondContact OE1-CA 3.48Å; E216-G219 PolarHBondContact OE1-N 2.78Å; E216-F220 CarbonylContact C-O 3.52Å; E216-F220 WeakPolarHBondContact CA-O 3.39Å; E216-W221 HydrophobicContact CB-CD2 3.85Å; E216-W221 HydrophobicContact CB-CE3 3.97Å; E216-W221 HydrophobicContact CB-CH2 3.96Å; E216-W221 HydrophobicContact CB-CZ2 3.8Å; E216-W221 HydrophobicContact CB-CZ3 4.05Å; E216-W221 HydrophobicContact CG-CD2 4.11Å; E216-W221 HydrophobicContact CG-CG 4.46Å; E216-W221 HydrophobicContact CG-CZ2 3.93Å
217	E	98.6	Very high	98.7	Very high	110 Å²	110	41 Å²	41	51%	0.514	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	121.3	171.4	173.9	-177	-125.9	0	0	109.3	G219 F220 Y222	E217-G219 VanDerWaalsContact C-N 3.35Å; E217-G219 PolarHBondContact O-N 3.43Å; E217-F220 PolarHBondContact N-O 2.82Å; E217-F220 PolarHBondContact O-N 2.77Å; E217-F220 VanDerWaalsContact O-N 3.12Å; E217-Y222 HydrophobicContact CB-CE2 3.96Å
218	N	97.7	Very high	98.7	Very high	144 Å²	144	42 Å²	42	77%	0.77	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	41.1	174.8	-58.9	-46	0	0	0	114.4	E216 F220	E216-N218 PolarHBondContact OE1-N 2.96Å; N218-F220 PolarHBondContact O-N 3.34Å
219	G	97.3	Very high	98.6	Very high	44 Å²	44	42.2 Å²	42.2	45%	0.454	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-2.4	179.5	0	0	0	0	0	114.5	E216 E217	E216-G219 WeakPolarHBondContact OE1-CA 3.48Å; E216-G219 PolarHBondContact OE1-N 2.78Å; E217-G219 VanDerWaalsContact C-N 3.35Å; E217-G219 PolarHBondContact O-N 3.43Å
220	F	98.8	Very high	98.6	Very high	73 Å²	73	44 Å²	44	32%	0.32	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.3	171.7	-75.9	-93.8	0	0	0	110.6	Y154 E216 E217 N218 Y222 F254 T255	Y154-F220 HydrophobicContact CD2-CE1 4.37Å; Y154-F220 AromaticContact CE2-CE1 3.94Å; Y154-F220 HydrophobicContact CE2-CE1 3.94Å; E216-F220 CarbonylContact C-O 3.52Å; E216-F220 WeakPolarHBondContact CA-O 3.39Å; E217-F220 PolarHBondContact N-O 2.82Å; E217-F220 PolarHBondContact O-N 2.77Å; E217-F220 VanDerWaalsContact O-N 3.12Å; N218-F220 PolarHBondContact O-N 3.34Å; F220-Y222 HydrophobicContact CB-CE2 3.72Å; F220-F254 WeakPolarHBondContact CA-O 3.14Å; F220-T255 HydrophobicContact CD1-CG2 3.79Å; F220-T255 HydrophobicContact CE1-CG2 3.64Å; F220-T255 HydrophobicContact CE2-CG2 4.49Å; F220-T255 HydrophobicContact CG-CG2 4.29Å; F220-T255 HydrophobicContact CZ-CG2 4.02Å
221	W	98.9	Very high	98.6	Very high	27 Å²	27	49.7 Å²	49.7	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.6	167.3	-72.8	83.6	0	0	0	110	L199 L214 T215 E216 S253 F254	L199-W221 HydrophobicContact CD1-CD2 3.63Å; L199-W221 HydrophobicContact CD1-CE3 3.67Å; L199-W221 HydrophobicContact CD1-CG 4.23Å; L199-W221 HydrophobicContact CD1-CH2 4.02Å; L199-W221 HydrophobicContact CD1-CZ2 4.01Å; L199-W221 HydrophobicContact CD1-CZ3 3.85Å; L199-W221 HydrophobicContact CD2-CZ2 4.22Å; L199-W221 HydrophobicContact CG-CD2 4.29Å; L199-W221 HydrophobicContact CG-CE3 4.32Å; L199-W221 HydrophobicContact CG-CH2 3.73Å; L199-W221 HydrophobicContact CG-CZ2 3.71Å; L199-W221 HydrophobicContact CG-CZ3 4.04Å; L199-W221 WeakPolarHBondContact O-CH2 3.12Å; L214-W221 HydrophobicContact CB-CE3 3.98Å; L214-W221 HydrophobicContact CB-CZ3 4.08Å; T215-W221 CarbonylContact O-C 3.51Å; T215-W221 WeakPolarHBondContact O-CA 3.33Å; E216-W221 HydrophobicContact CB-CD2 3.85Å; E216-W221 HydrophobicContact CB-CE3 3.97Å; E216-W221 HydrophobicContact CB-CH2 3.96Å; E216-W221 HydrophobicContact CB-CZ2 3.8Å; E216-W221 HydrophobicContact CB-CZ3 4.05Å; E216-W221 HydrophobicContact CG-CD2 4.11Å; E216-W221 HydrophobicContact CG-CG 4.46Å; E216-W221 HydrophobicContact CG-CZ2 3.93Å; W221-S253 CarbonylContact O-C 3.37Å; W221-S253 WeakPolarHBondContact O-CA 3.32Å; W221-S253 WeakPolarHBondContact O-CB 3.36Å; W221-F254 HydrophobicContact CB-CD1 3.99Å; W221-F254 HydrophobicContact CB-CD2 4.01Å; W221-F254 HydrophobicContact CB-CE1 3.55Å; W221-F254 HydrophobicContact CB-CE2 3.56Å; W221-F254 HydrophobicContact CB-CG 4.21Å; W221-F254 HydrophobicContact CB-CZ 3.31Å; W221-F254 AromaticContact CG-CE2 3.97Å; W221-F254 HydrophobicContact CG-CE2 3.97Å; W221-F254 AromaticContact CG-CZ 3.97Å; W221-F254 HydrophobicContact CG-CZ 3.97Å; W221-F254 PolarHBondContact N-O 2.54Å; W221-F254 PolarHBondContact O-N 3.36Å
222	Y	98.9	Very high	98.6	Very high	46 Å²	46	48 Å²	48	18%	0.18	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.9	-178.4	-60.4	-82.5	0	0	0	109.2	Y163 L214 T215 E217 F220 S253	Y163-Y222 HydrophobicContact CD2-CE1 4.27Å; Y163-Y222 HydrophobicContact CE1-CD1 4.47Å; Y163-Y222 AromaticContact CE2-CD1 3.68Å; Y163-Y222 HydrophobicContact CE2-CD1 3.68Å; Y163-Y222 AromaticContact CE2-CE1 3.53Å; Y163-Y222 HydrophobicContact CE2-CE1 3.53Å; Y163-Y222 AromaticContact CZ-CD1 3.56Å; Y163-Y222 AromaticContact CZ-CE1 3.93Å; Y163-Y222 VanDerWaalsContact OH-CD1 3.25Å; Y163-Y222 WeakPolarHBondContact OH-CD1 3.39Å; L214-Y222 CarbonylContact C-O 3.07Å; L214-Y222 VanDerWaalsContact CA-O 3.3Å; L214-Y222 WeakPolarHBondContact CA-O 3.38Å; T215-Y222 PolarHBondContact N-O 3.37Å; T215-Y222 WeakPolarHBondContact O-CD2 3.49Å; T215-Y222 PolarHBondContact O-N 3.04Å; E217-Y222 HydrophobicContact CB-CE2 3.96Å; F220-Y222 HydrophobicContact CB-CE2 3.72Å; Y222-S253 VanDerWaalsContact CD1-CB 3.44Å
223	L	98.9	Very high	98.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.3	169.8	-179.1	63.3	0	0	0	110	M193 L197 F212 L214 I251 Y252	M193-L223 HydrophobicContact CE-CD2 4.07Å; L197-L223 HydrophobicContact CD1-CD1 3.42Å; L197-L223 VanDerWaalsContact CD1-CD1 3.42Å; L197-L223 HydrophobicContact CD1-CD2 4.29Å; F212-L223 HydrophobicContact CB-CD1 4.12Å; F212-L223 HydrophobicContact CD1-CD1 3.84Å; F212-L223 HydrophobicContact CD1-CD2 4.37Å; F212-L223 HydrophobicContact CD1-CG 4.31Å; F212-L223 HydrophobicContact CG-CD1 4.36Å; L214-L223 HydrophobicContact CD2-CB 4.02Å; L214-L223 HydrophobicContact CD2-CD1 3.96Å; L214-L223 HydrophobicContact CG-CD1 4.18Å; L223-I251 HydrophobicContact CD2-CD1 4.07Å; L223-I251 HydrophobicContact CG-CB 4.4Å; L223-I251 HydrophobicContact CG-CD1 4.08Å; L223-I251 VanDerWaalsContact O-CB 3.32Å; L223-I251 WeakPolarHBondContact O-CB 3.3Å; L223-I251 PolarHBondContact O-N 2.7Å; L223-Y252 HydrophobicContact CB-CD2 4.03Å; L223-Y252 HydrophobicContact CB-CE2 3.72Å; L223-Y252 HydrophobicContact CD2-CD1 4.44Å; L223-Y252 HydrophobicContact CD2-CE1 3.61Å; L223-Y252 HydrophobicContact CD2-CE2 3.96Å; L223-Y252 VanDerWaalsContact CD2-OH 3.25Å; L223-Y252 WeakPolarHBondContact CD2-OH 3.36Å; L223-Y252 HydrophobicContact CG-CE2 4.49Å; L223-Y252 PolarHBondContact N-O 3.47Å; L223-Y252 PolarHBondContact O-N 2.72Å
224	D	98.8	Very high	98.4	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.9	174.9	-60.7	-30.8	0	0	0	110.6	F212 R213 Y248 R249 K250	F212-D224 WeakPolarHBondContact CA-O 3.46Å; R213-D224 PolarHBondContact N-O 2.92Å; R213-D224 PolarHBondContact O-N 2.82Å; D224-Y248 HydrophobicContact CB-CE1 4.42Å; D224-Y248 HydrophobicContact CB-CE2 4.24Å; D224-Y248 PolarHBondContact OD2-OH 2.76Å; D224-R249 WeakPolarHBondContact CA-O 3.25Å; D224-K250 VanDerWaalsContact OD1-CA 3.26Å; D224-K250 WeakPolarHBondContact OD1-CA 2.79Å; D224-K250 WeakPolarHBondContact OD1-CG 3.49Å
225	Q	98.6	Very high	98.2	Very high	2 Å²	2	58 Å²	58	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.6	170.3	58.9	173.3	-162.9	0	0	112.8	S190 C210 I211 F212 R227 R249 I251	S190-Q225 PolarHBondContact O-NE2 3.35Å; C210-Q225 HydrophobicContact CB-CB 4.23Å; C210-Q225 PolarHBondContact SG-NE2 2.76Å; I211-Q225 CarbonylContact O-C 3.58Å; I211-Q225 VanDerWaalsContact O-CA 3.28Å; I211-Q225 WeakPolarHBondContact O-CA 3.44Å; F212-Q225 HydrophobicContact CD1-CB 4.07Å; F212-Q225 HydrophobicContact CE1-CB 4.19Å; Q225-R227 HydrophobicContact CG-CG 3.99Å; Q225-R227 VanDerWaalsContact OE1-CD 3.28Å; Q225-R249 HydrophobicContact CG-CB 3.97Å; Q225-R249 PolarHBondContact N-O 2.81Å; Q225-R249 PolarHBondContact O-N 2.86Å; Q225-I251 HydrophobicContact CB-CD1 4.08Å; Q225-I251 HydrophobicContact CG-CD1 3.81Å; Q225-I251 HydrophobicContact CG-CG1 4.05Å
226	I	98.8	Very high	98.1	Very high	57 Å²	57	63.8 Å²	63.8	29%	0.292	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.6	166.4	-55	164.4	0	0	0	107.2	C210 I211 K247 Y248	C210-I226 WeakPolarHBondContact CB-O 3.35Å; I211-I226 HydrophobicContact CB-CB 4.28Å; I211-I226 HydrophobicContact CG2-CD1 4.48Å; I211-I226 PolarHBondContact N-O 2.93Å; I211-I226 PolarHBondContact O-N 2.9Å; I226-K247 WeakPolarHBondContact CA-O 3.39Å; I226-Y248 HydrophobicContact CG1-CD2 4.18Å
227	R	98.6	Very high	98.1	Very high	11 Å²	11	61.3 Å²	61.3	4%	0.042	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-83.3	157.3	-177.4	-58.3	166.1	68.6	91.9	-5.9	111.2	S190 Q225 K247 R304 I352	S190-R227 PolarHBondContact OG-NH1 2.88Å; S190-R227 PolarHBondContact OG-NH2 2.8Å; Q225-R227 HydrophobicContact CG-CG 3.99Å; Q225-R227 VanDerWaalsContact OE1-CD 3.28Å; R227-K247 WeakPolarHBondContact CB-O 3.04Å; R227-K247 PolarHBondContact N-O 3.39Å; R227-R304 VanDerWaalsContact NH2-NH2 3.11Å; R227-I352 PolarHBondContact NH2-O 2.86Å; R227-I352 VanDerWaalsContact NH2-O 3.12Å
228	R	98.5	Very high	97.9	Very high	36 Å²	36	60 Å²	60	14%	0.136	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-76.1	169.4	171	-70.1	-165.7	-167.4	82.8	4.6	111.7	V208 P209 N311 D313	V208-R228 VanDerWaalsContact O-CZ 3.29Å; V208-R228 PolarHBondContact O-NH1 3.4Å; V208-R228 PolarHBondContact O-NH2 3.06Å; P209-R228 PolarHBondContact O-NH1 2.86Å; P209-R228 VanDerWaalsContact O-NH1 3.07Å; R228-N311 VanDerWaalsContact CB-O 3.29Å; R228-N311 WeakPolarHBondContact CB-O 3.47Å; R228-N311 VanDerWaalsContact CD-OD1 3.27Å; R228-N311 WeakPolarHBondContact CD-OD1 3.42Å; R228-N311 WeakPolarHBondContact CG-OD1 3.4Å; R228-N311 PolarHBondContact NE-OD1 3.15Å; R228-D313 IonicContact NH1-OD1 3.73Å
229	D	98.3	Very high	97.8	Very high	71 Å²	71	60.8 Å²	60.8	38%	0.38	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	155.5	164.7	-73.8	-54.4	0	0	0	110.2	K247 N311 T312 D313	D229-K247 VanDerWaalsContact CG-CE 3.46Å; D229-K247 WeakPolarHBondContact OD1-CE 3.47Å; D229-K247 IonicContact OD1-NZ 3.73Å; D229-K247 PolarHBondContact OD1-NZ 2.76Å; D229-K247 IonicContact OD2-NZ 3.27Å; D229-K247 PolarHBondContact OD2-NZ 2.9Å; D229-N311 PolarHBondContact N-O 3.16Å; D229-T312 HydrophobicContact CB-CG2 3.98Å; D229-T312 CarbonylContact O-C 3.5Å; D229-T312 WeakPolarHBondContact O-CA 3.38Å; D229-T312 WeakPolarHBondContact O-CG2 3.49Å; D229-D313 PolarHBondContact O-N 2.61Å
230	Q	98.4	Very high	97.8	Very high	42 Å²	42	59.8 Å²	59.8	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.9	-177.8	-65.2	177.5	103.9	0	0	109.4	I232 E244 I315	Q230-I232 HydrophobicContact CB-CD1 3.97Å; Q230-E244 PolarHBondContact NE2-O 3.12Å; Q230-I315 HydrophobicContact CB-CD1 3.84Å; Q230-I315 HydrophobicContact CG-CD1 3.87Å; Q230-I315 VanDerWaalsContact OE1-CD1 3.27Å
231	Y	98.3	Very high	97.8	Very high	122 Å²	122	59.8 Å²	59.8	48%	0.478	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.1	172.2	175.7	-123.4	0	0	0	109.9	P233 D313 L314 I315	Y231-P233 HydrophobicContact CE1-CB 4.05Å; Y231-D313 PolarHBondContact N-O 3.36Å; Y231-L314 HydrophobicContact CD1-CD1 3.63Å; Y231-L314 HydrophobicContact CE1-CD1 4.01Å; Y231-I315 PolarHBondContact O-N 2.97Å
232	I	98.4	Very high	97.7	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.118	29%	0.285	C	S	.	.			trans	-110.7	101.9	177.8	-55.4	91.8	0	0	0	107.7	Q230 N234 F237 L238 L243 I315 F317	Q230-I232 HydrophobicContact CB-CD1 3.97Å; I232-N234 WeakPolarHBondContact CG2-O 3.26Å; I232-F237 HydrophobicContact CG2-CB 4.43Å; I232-L238 HydrophobicContact CB-CD2 3.98Å; I232-L238 HydrophobicContact CD1-CD2 4.33Å; I232-L238 HydrophobicContact CG2-CD2 4.47Å; I232-L243 HydrophobicContact CD1-CD1 4.16Å; I232-L243 HydrophobicContact CG1-CD1 4.01Å; I232-I315 HydrophobicContact CG1-CB 4.38Å; I232-I315 HydrophobicContact CG1-CD1 4.35Å; I232-F317 HydrophobicContact CG1-CE2 4.47Å; I232-F317 HydrophobicContact CG2-CD2 4.03Å; I232-F317 HydrophobicContact CG2-CE2 4.04Å
233	P	97.8	Very high	97.7	Very high	55 Å²	55	57.3 Å²	57.3	36%	0.357	28%	0.282	S	S	.	.	S	Bend	trans	-69.3	-35.4	-176.7	27	-34.7	0	0	0	112.2	Y231 K235 L314 I315 E316	Y231-P233 HydrophobicContact CE1-CB 4.05Å; P233-K235 PolarHBondContact O-N 3.21Å; P233-L314 HydrophobicContact CG-CD1 3.82Å; P233-I315 WeakPolarHBondContact CD-O 3.37Å; P233-E316 HydrophobicContact CG-CG 4.5Å
234	N	96.5	Very high	97.4	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.294	29%	0.288	S	S	.	.			trans	-84.6	105	175.6	-172.6	-10.4	0	0	0	110.6	I232 E236 F237	I232-N234 WeakPolarHBondContact CG2-O 3.26Å; N234-E236 PolarHBondContact O-N 2.83Å; N234-E236 WeakPolarHBondContact OD1-CB 3.41Å; N234-E236 WeakPolarHBondContact OD1-CG 3.36Å; N234-E236 PolarHBondContact OD1-N 2.86Å; N234-E236 VanDerWaalsContact OD1-N 3.07Å; N234-F237 HydrophobicContact CB-CD2 4.13Å; N234-F237 WeakPolarHBondContact ND2-CE2 3.33Å; N234-F237 PolarHBondContact O-N 3.48Å
235	K	95.1	Very high	97.1	Very high	169 Å²	169	65.1 Å²	65.1	74%	0.735	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-64.7	-20.5	-175.9	-64	-172.8	179.4	179	0	114.4	P233 F237 L238	P233-K235 PolarHBondContact O-N 3.21Å; K235-F237 PolarHBondContact O-N 2.9Å; K235-L238 HydrophobicContact CB-CD1 3.85Å; K235-L238 HydrophobicContact CB-CG 4.45Å; K235-L238 HydrophobicContact CG-CD1 3.98Å; K235-L238 WeakPolarHBondContact O-CG 3.42Å; K235-L238 PolarHBondContact O-N 2.87Å
236	E	96.8	Very high	96.9	Very high	167 Å²	167	67.5 Å²	67.5	78%	0.78	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.1	-25.5	177.2	-64.1	-179.8	160.5	0	0	112.4	N234	N234-E236 PolarHBondContact O-N 2.83Å; N234-E236 WeakPolarHBondContact OD1-CB 3.41Å; N234-E236 WeakPolarHBondContact OD1-CG 3.36Å; N234-E236 PolarHBondContact OD1-N 2.86Å; N234-E236 VanDerWaalsContact OD1-N 3.07Å
237	F	97	Very high	96.8	Very high	25 Å²	25	69.1 Å²	69.1	11%	0.11	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-99.6	4.4	-177.7	-66.5	-86.2	0	0	0	114.2	I232 N234 K235 N239 S240 L243 T300 F317	I232-F237 HydrophobicContact CG2-CB 4.43Å; N234-F237 HydrophobicContact CB-CD2 4.13Å; N234-F237 WeakPolarHBondContact ND2-CE2 3.33Å; N234-F237 PolarHBondContact O-N 3.48Å; K235-F237 PolarHBondContact O-N 2.9Å; F237-N239 PolarHBondContact O-N 3.12Å; F237-N239 VanDerWaalsContact O-N 3.16Å; F237-S240 WeakPolarHBondContact O-CB 3.19Å; F237-S240 PolarHBondContact O-N 2.8Å; F237-L243 VanDerWaalsContact O-CD1 3.27Å; F237-L243 WeakPolarHBondContact O-CD1 3.47Å; F237-T300 HydrophobicContact CD1-CG2 4.42Å; F237-T300 HydrophobicContact CE1-CG2 3.89Å; F237-F317 HydrophobicContact CB-CB 4.11Å; F237-F317 HydrophobicContact CB-CD1 3.85Å; F237-F317 HydrophobicContact CB-CD2 3.83Å; F237-F317 HydrophobicContact CB-CE1 4.18Å; F237-F317 HydrophobicContact CB-CE2 4.15Å; F237-F317 HydrophobicContact CB-CG 3.68Å; F237-F317 HydrophobicContact CB-CZ 4.32Å; F237-F317 HydrophobicContact CD1-CB 3.89Å; F237-F317 AromaticContact CD1-CD1 3.35Å; F237-F317 HydrophobicContact CD1-CD1 3.35Å; F237-F317 HydrophobicContact CD1-CE1 4.02Å; F237-F317 AromaticContact CD1-CG 3.78Å; F237-F317 HydrophobicContact CD1-CG 3.78Å; F237-F317 HydrophobicContact CD2-CB 3.38Å; F237-F317 HydrophobicContact CD2-CD1 4.36Å; F237-F317 AromaticContact CD2-CG 3.93Å; F237-F317 HydrophobicContact CD2-CG 3.93Å; F237-F317 HydrophobicContact CE1-CB 4.12Å; F237-F317 AromaticContact CE1-CD1 3.93Å; F237-F317 HydrophobicContact CE1-CD1 3.93Å; F237-F317 HydrophobicContact CE1-CG 4.38Å; F237-F317 HydrophobicContact CE2-CB 3.63Å; F237-F317 HydrophobicContact CG-CB 3.51Å; F237-F317 AromaticContact CG-CD1 3.59Å; F237-F317 HydrophobicContact CG-CD1 3.59Å; F237-F317 HydrophobicContact CG-CD2 4.17Å; F237-F317 HydrophobicContact CG-CE1 4.32Å; F237-F317 AromaticContact CG-CG 3.51Å; F237-F317 HydrophobicContact CG-CG 3.51Å; F237-F317 HydrophobicContact CZ-CB 3.99Å
238	L	95.6	Very high	96.8	Very high	82 Å²	82	73.4 Å²	73.4	43%	0.429	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.2	-178.2	-75.8	169.8	0	0	0	113.4	I232 K235	I232-L238 HydrophobicContact CB-CD2 3.98Å; I232-L238 HydrophobicContact CD1-CD2 4.33Å; I232-L238 HydrophobicContact CG2-CD2 4.47Å; K235-L238 HydrophobicContact CB-CD1 3.85Å; K235-L238 HydrophobicContact CB-CG 4.45Å; K235-L238 HydrophobicContact CG-CD1 3.98Å; K235-L238 WeakPolarHBondContact O-CG 3.42Å; K235-L238 PolarHBondContact O-N 2.87Å
239	N	95.9	Very high	96.8	Very high	162 Å²	162	72.2 Å²	72.2	87%	0.866	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	20.6	178	-59.8	-40.9	0	0	0	112.4	F237 D241	F237-N239 PolarHBondContact O-N 3.12Å; F237-N239 VanDerWaalsContact O-N 3.16Å; N239-D241 PolarHBondContact O-N 3.39Å
240	S	97.5	Very high	96.8	Very high	23 Å²	23	72.6 Å²	72.6	16%	0.161	36%	0.355	C	S	.	.			trans	-61.4	136.4	177	178.9	0	0	0	0	110.3	F237 L242 L243	F237-S240 WeakPolarHBondContact O-CB 3.19Å; F237-S240 PolarHBondContact O-N 2.8Å; S240-L242 PolarHBondContact O-N 2.85Å; S240-L242 VanDerWaalsContact O-N 3.08Å; S240-L242 WeakPolarHBondContact OG-CB 3.32Å; S240-L242 PolarHBondContact OG-N 3.35Å; S240-L243 PolarHBondContact O-N 2.93Å
241	D	97.4	Very high	96.8	Very high	72 Å²	72	70.6 Å²	70.6	39%	0.385	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-8.3	173.4	73.9	-40.1	0	0	0	113.5	N239 L243 K282 H345	N239-D241 PolarHBondContact O-N 3.39Å; D241-L243 VanDerWaalsContact C-N 3.35Å; D241-K282 WeakPolarHBondContact OD2-CE 3.39Å; D241-K282 IonicContact OD2-NZ 2.71Å; D241-K282 PolarHBondContact OD2-NZ 2.76Å; D241-H345 VanDerWaalsContact CG-NE2 3.31Å; D241-H345 IonicContact OD1-CE1 2.73Å; D241-H345 PolarHBondContact OD1-CE1 2.83Å; D241-H345 IonicContact OD1-NE2 3.94Å; D241-H345 PolarHBondContact OD1-NE2 3.36Å; D241-H345 IonicContact OD2-CD2 3.42Å; D241-H345 IonicContact OD2-NE2 2.93Å; D241-H345 PolarHBondContact OD2-NE2 3.08Å
242	L	98.1	Very high	96.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.2	173.8	-56.9	-176.9	0	0	0	112.5	S240 V297 T300 F317 T351 I352	S240-L242 PolarHBondContact O-N 2.85Å; S240-L242 VanDerWaalsContact O-N 3.08Å; S240-L242 WeakPolarHBondContact OG-CB 3.32Å; S240-L242 PolarHBondContact OG-N 3.35Å; L242-V297 HydrophobicContact CD1-CB 4.02Å; L242-V297 HydrophobicContact CD1-CG2 4.31Å; L242-V297 HydrophobicContact CD2-CB 4.03Å; L242-V297 HydrophobicContact CD2-CG1 3.81Å; L242-V297 HydrophobicContact CD2-CG2 4.14Å; L242-T300 HydrophobicContact CD1-CG2 4.12Å; L242-F317 HydrophobicContact CD1-CE1 4.42Å; L242-T351 CarbonylContact O-C 3.36Å; L242-T351 WeakPolarHBondContact O-CA 3.09Å; L242-T351 VanDerWaalsContact O-CB 3.23Å; L242-T351 WeakPolarHBondContact O-CB 3.49Å; L242-T351 WeakPolarHBondContact O-CG2 3.37Å; L242-I352 HydrophobicContact CB-CD1 4.29Å; L242-I352 HydrophobicContact CB-CG1 4.14Å; L242-I352 HydrophobicContact CB-CG2 4.25Å; L242-I352 WeakPolarHBondContact O-CG1 3.25Å; L242-I352 PolarHBondContact O-N 3.03Å
243	L	97.4	Very high	96.9	Very high	22 Å²	22	64 Å²	64	12%	0.115	32%	0.32	C	S	.	.			trans	-92.5	152.3	179.2	-64.7	174.8	0	0	0	111.9	I232 F237 S240 D241 I315 F317 T351	I232-L243 HydrophobicContact CD1-CD1 4.16Å; I232-L243 HydrophobicContact CG1-CD1 4.01Å; F237-L243 VanDerWaalsContact O-CD1 3.27Å; F237-L243 WeakPolarHBondContact O-CD1 3.47Å; S240-L243 PolarHBondContact O-N 2.93Å; D241-L243 VanDerWaalsContact C-N 3.35Å; L243-I315 HydrophobicContact CD2-CD1 3.87Å; L243-F317 HydrophobicContact CD1-CE2 4.48Å; L243-F317 HydrophobicContact CD1-CZ 4.28Å; L243-F317 HydrophobicContact CD2-CE2 4.18Å; L243-F317 HydrophobicContact CD2-CZ 3.83Å; L243-F317 HydrophobicContact CG-CZ 4.01Å; L243-T351 WeakPolarHBondContact O-CG2 3.44Å
244	E	93.7	Very high	96.9	Very high	29 Å²	29	61.3 Å²	61.3	14%	0.136	30%	0.303	C	S	.	.			trans	-133.7	127.4	172.3	173.9	78	-94.2	0	0	107.3	T158 Q230 R249 T351	T158-E244 WeakPolarHBondContact CB-OE2 3.18Å; T158-E244 WeakPolarHBondContact CG2-OE2 3.4Å; T158-E244 PolarHBondContact OG1-OE2 2.77Å; Q230-E244 PolarHBondContact NE2-O 3.12Å; E244-R249 IonicContact OE2-CZ 3.39Å; E244-R249 IonicContact OE2-NH1 3.71Å; E244-R249 PolarHBondContact OE2-NH1 2.79Å; E244-T351 HydrophobicContact CB-CG2 4.25Å
245	D	91.4	Very high	97	Very high	142 Å²	142	59.8 Å²	59.8	76%	0.759	30%	0.295	S	S	*	.			trans	-83.8	-21.7	-174	-66.4	-26.3	0	0	0	113	K247	D245-K247 PolarHBondContact O-N 2.97Å
246	S	95.4	Very high	97.2	Very high	53 Å²	53	54.9 Å²	54.9	37%	0.371	28%	0.276	S	S	.	.			trans	-69.5	124.6	-176.7	-171.7	0	0	0	0	111.8	Y248	S246-Y248 WeakPolarHBondContact CB-O 3.36Å; S246-Y248 PolarHBondContact OG-N 3.38Å; S246-Y248 PolarHBondContact OG-O 3.42Å
247	K	96.7	Very high	97.3	Very high	91 Å²	91	51.8 Å²	51.8	40%	0.396	26%	0.262	S	S	.	.	S	Bend	trans	-64.7	-42	169.4	-70.2	-168.9	178	-173.5	0	111.9	I226 R227 D229 D245	I226-K247 WeakPolarHBondContact CA-O 3.39Å; R227-K247 WeakPolarHBondContact CB-O 3.04Å; R227-K247 PolarHBondContact N-O 3.39Å; D229-K247 VanDerWaalsContact CG-CE 3.46Å; D229-K247 WeakPolarHBondContact OD1-CE 3.47Å; D229-K247 IonicContact OD1-NZ 3.73Å; D229-K247 PolarHBondContact OD1-NZ 2.76Å; D229-K247 IonicContact OD2-NZ 3.27Å; D229-K247 PolarHBondContact OD2-NZ 2.9Å; D245-K247 PolarHBondContact O-N 2.97Å
248	Y	98.3	Very high	97.4	Very high	100 Å²	100	54.9 Å²	54.9	39%	0.392	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.7	176.3	-172.4	-90.9	0	0	0	109.7	D224 I226 S246 K250	D224-Y248 HydrophobicContact CB-CE1 4.42Å; D224-Y248 HydrophobicContact CB-CE2 4.24Å; D224-Y248 PolarHBondContact OD2-OH 2.76Å; I226-Y248 HydrophobicContact CG1-CD2 4.18Å; S246-Y248 WeakPolarHBondContact CB-O 3.36Å; S246-Y248 PolarHBondContact OG-N 3.38Å; S246-Y248 PolarHBondContact OG-O 3.42Å; Y248-K250 HydrophobicContact CE1-CG 4.09Å
249	R	98.4	Very high	97.6	Very high	11 Å²	11	53.2 Å²	53.2	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.7	-177.1	-178.6	53	-169.7	-81.9	-16.3	111.4	T158 Y191 D224 Q225 E244 T351	T158-R249 PolarHBondContact OG1-NH1 2.6Å; Y191-R249 HydrophobicContact CE1-CG 3.77Å; Y191-R249 PolarHBondContact OH-NH1 3.46Å; Y191-R249 PolarHBondContact OH-NH2 2.78Å; D224-R249 WeakPolarHBondContact CA-O 3.25Å; Q225-R249 HydrophobicContact CG-CB 3.97Å; Q225-R249 PolarHBondContact N-O 2.81Å; Q225-R249 PolarHBondContact O-N 2.86Å; E244-R249 IonicContact OE2-CZ 3.39Å; E244-R249 IonicContact OE2-NH1 3.71Å; E244-R249 PolarHBondContact OE2-NH1 2.79Å; R249-T351 PolarHBondContact NH1-OG1 3.23Å
250	K	98.8	Very high	97.7	Very high	79 Å²	79	48.9 Å²	48.9	34%	0.343	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.6	167	-58.7	-176.5	171.5	-171.2	0	109.4	Y156 D224 Y248	Y156-K250 WeakPolarHBondContact CB-O 3.14Å; Y156-K250 HydrophobicContact CD1-CB 3.74Å; Y156-K250 HydrophobicContact CD2-CB 3.85Å; Y156-K250 HydrophobicContact CD2-CD 3.99Å; Y156-K250 HydrophobicContact CE1-CB 4.15Å; Y156-K250 HydrophobicContact CE2-CB 4.28Å; Y156-K250 HydrophobicContact CE2-CD 3.71Å; Y156-K250 HydrophobicContact CG-CB 3.56Å; D224-K250 VanDerWaalsContact OD1-CA 3.26Å; D224-K250 WeakPolarHBondContact OD1-CA 2.79Å; D224-K250 WeakPolarHBondContact OD1-CG 3.49Å; Y248-K250 HydrophobicContact CE1-CG 4.09Å
251	I	98.8	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-66.6	-176.3	-49.2	-172.9	0	0	0	109.9	Y156 F187 Y191 F212 L223 Q225	Y156-I251 WeakPolarHBondContact CB-O 3.45Å; Y156-I251 PolarHBondContact N-O 3.43Å; F187-I251 HydrophobicContact CD1-CG2 4.19Å; F187-I251 HydrophobicContact CD2-CG2 4.03Å; F187-I251 HydrophobicContact CE1-CG2 3.73Å; F187-I251 HydrophobicContact CE2-CG2 3.6Å; F187-I251 HydrophobicContact CG-CG2 4.29Å; F187-I251 HydrophobicContact CZ-CG2 3.41Å; F187-I251 VanDerWaalsContact CZ-CG2 3.41Å; Y191-I251 HydrophobicContact CD1-CD1 4.13Å; Y191-I251 HydrophobicContact CD1-CG1 4.1Å; Y191-I251 HydrophobicContact CD1-CG2 4.26Å; F212-I251 HydrophobicContact CD1-CD1 4.14Å; F212-I251 HydrophobicContact CE1-CD1 3.71Å; L223-I251 HydrophobicContact CD2-CD1 4.07Å; L223-I251 HydrophobicContact CG-CB 4.4Å; L223-I251 HydrophobicContact CG-CD1 4.08Å; L223-I251 VanDerWaalsContact O-CB 3.32Å; L223-I251 WeakPolarHBondContact O-CB 3.3Å; L223-I251 PolarHBondContact O-N 2.7Å; Q225-I251 HydrophobicContact CB-CD1 4.08Å; Q225-I251 HydrophobicContact CG-CD1 3.81Å; Q225-I251 HydrophobicContact CG-CG1 4.05Å
252	Y	98.9	Very high	97.8	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.4	178.5	56.2	-110.1	0	0	0	111.1	Y154 H169 L171 D184 F187 L223 F254	Y154-Y252 CarbonylContact O-C 3.42Å; Y154-Y252 WeakPolarHBondContact O-CA 3.5Å; Y154-Y252 VanDerWaalsContact O-CB 3.25Å; Y154-Y252 WeakPolarHBondContact O-CB 3.45Å; H169-Y252 AromaticContact CD2-CD1 3.79Å; H169-Y252 AromaticContact CD2-CE1 3.89Å; H169-Y252 AromaticContact NE2-CD1 3.97Å; H169-Y252 AromaticContact NE2-CE1 3.71Å; L171-Y252 HydrophobicContact CD1-CE2 3.61Å; D184-Y252 PolarHBondContact OD2-OH 3.21Å; F187-Y252 AromaticContact CD2-CD1 3.64Å; F187-Y252 HydrophobicContact CD2-CD1 3.64Å; F187-Y252 AromaticContact CD2-CE1 3.96Å; F187-Y252 HydrophobicContact CD2-CE1 3.96Å; F187-Y252 AromaticContact CE2-CD1 3.72Å; F187-Y252 HydrophobicContact CE2-CD1 3.72Å; F187-Y252 HydrophobicContact CE2-CE1 4.47Å; L223-Y252 HydrophobicContact CB-CD2 4.03Å; L223-Y252 HydrophobicContact CB-CE2 3.72Å; L223-Y252 HydrophobicContact CD2-CD1 4.44Å; L223-Y252 HydrophobicContact CD2-CE1 3.61Å; L223-Y252 HydrophobicContact CD2-CE2 3.96Å; L223-Y252 VanDerWaalsContact CD2-OH 3.25Å; L223-Y252 WeakPolarHBondContact CD2-OH 3.36Å; L223-Y252 HydrophobicContact CG-CE2 4.49Å; L223-Y252 PolarHBondContact N-O 3.47Å; L223-Y252 PolarHBondContact O-N 2.72Å; Y252-F254 AromaticContact CD2-CD1 3.85Å; Y252-F254 HydrophobicContact CD2-CD1 3.85Å; Y252-F254 HydrophobicContact CD2-CE1 4.42Å; Y252-F254 AromaticContact CE2-CD1 3.72Å; Y252-F254 HydrophobicContact CE2-CD1 3.72Å; Y252-F254 AromaticContact CE2-CE1 3.94Å; Y252-F254 HydrophobicContact CE2-CE1 3.94Å
253	S	98.9	Very high	97.8	Very high	5 Å²	5	54.6 Å²	54.6	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	160.8	166.4	67.8	0	0	0	0	111	G153 Y154 W221 Y222	G153-S253 CarbonylContact C-O 3.58Å; G153-S253 WeakPolarHBondContact CA-O 3.33Å; Y154-S253 PolarHBondContact N-O 3.45Å; Y154-S253 PolarHBondContact O-N 2.86Å; W221-S253 CarbonylContact O-C 3.37Å; W221-S253 WeakPolarHBondContact O-CA 3.32Å; W221-S253 WeakPolarHBondContact O-CB 3.36Å; Y222-S253 VanDerWaalsContact CD1-CB 3.44Å
254	F	98.9	Very high	97.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	167.5	178.2	60.9	-81.7	0	0	0	110.7	L151 G152 L171 I182 L199 L214 F220 W221 Y252 L256	L151-F254 HydrophobicContact CD1-CD2 3.87Å; L151-F254 HydrophobicContact CD1-CE2 3.98Å; G152-F254 WeakPolarHBondContact O-CA 3.03Å; G152-F254 VanDerWaalsContact O-CB 3.3Å; G152-F254 WeakPolarHBondContact O-CB 3.05Å; L171-F254 HydrophobicContact CD1-CB 4.46Å; L171-F254 HydrophobicContact CD1-CD1 3.89Å; L171-F254 HydrophobicContact CD1-CD2 4.2Å; L171-F254 HydrophobicContact CD1-CE1 4.12Å; L171-F254 HydrophobicContact CD1-CE2 4.41Å; L171-F254 HydrophobicContact CD1-CG 3.94Å; L171-F254 HydrophobicContact CD1-CZ 4.37Å; L171-F254 HydrophobicContact CD2-CB 4.03Å; L171-F254 HydrophobicContact CD2-CG 4.35Å; I182-F254 HydrophobicContact CD1-CE2 3.61Å; I182-F254 HydrophobicContact CD1-CZ 3.7Å; I182-F254 HydrophobicContact CG1-CE2 4.22Å; I182-F254 HydrophobicContact CG1-CZ 3.77Å; L199-F254 HydrophobicContact CD1-CE2 4.33Å; L199-F254 HydrophobicContact CD1-CZ 4.16Å; L214-F254 HydrophobicContact CD2-CE1 3.78Å; L214-F254 HydrophobicContact CD2-CZ 3.89Å; F220-F254 WeakPolarHBondContact CA-O 3.14Å; W221-F254 HydrophobicContact CB-CD1 3.99Å; W221-F254 HydrophobicContact CB-CD2 4.01Å; W221-F254 HydrophobicContact CB-CE1 3.55Å; W221-F254 HydrophobicContact CB-CE2 3.56Å; W221-F254 HydrophobicContact CB-CG 4.21Å; W221-F254 HydrophobicContact CB-CZ 3.31Å; W221-F254 AromaticContact CG-CE2 3.97Å; W221-F254 HydrophobicContact CG-CE2 3.97Å; W221-F254 AromaticContact CG-CZ 3.97Å; W221-F254 HydrophobicContact CG-CZ 3.97Å; W221-F254 PolarHBondContact N-O 2.54Å; W221-F254 PolarHBondContact O-N 3.36Å; Y252-F254 AromaticContact CD2-CD1 3.85Å; Y252-F254 HydrophobicContact CD2-CD1 3.85Å; Y252-F254 HydrophobicContact CD2-CE1 4.42Å; Y252-F254 AromaticContact CE2-CD1 3.72Å; Y252-F254 HydrophobicContact CE2-CD1 3.72Å; Y252-F254 AromaticContact CE2-CE1 3.94Å; Y252-F254 HydrophobicContact CE2-CE1 3.94Å; F254-L256 HydrophobicContact CD2-CD2 4.36Å; F254-L256 HydrophobicContact CE2-CD2 3.85Å
255	T	98.9	Very high	98.1	Very high	22 Å²	22	58.3 Å²	58.3	14%	0.135	29%	0.294	C	S	.	.			trans	-112.2	164.5	167.6	66.5	0	0	0	0	109.4	F220 E257	F220-T255 HydrophobicContact CD1-CG2 3.79Å; F220-T255 HydrophobicContact CE1-CG2 3.64Å; F220-T255 HydrophobicContact CE2-CG2 4.49Å; F220-T255 HydrophobicContact CG-CG2 4.29Å; F220-T255 HydrophobicContact CZ-CG2 4.02Å; T255-E257 PolarHBondContact O-N 3.44Å; T255-E257 WeakPolarHBondContact OG1-CB 3.34Å
256	L	98.8	Very high	98.4	Very high	66 Å²	66	55.3 Å²	55.3	35%	0.346	28%	0.284	S	S	.	.	S	Bend	trans	-85.5	15.1	174.1	-55.7	-178.4	0	0	0	112.8	L151 L199 F254 P258	L151-L256 HydrophobicContact CD1-CD2 4.07Å; L199-L256 HydrophobicContact CD1-CD2 4.28Å; L199-L256 HydrophobicContact CD2-CD1 3.8Å; L199-L256 HydrophobicContact CD2-CD2 3.7Å; L199-L256 HydrophobicContact CD2-CG 4.4Å; F254-L256 HydrophobicContact CD2-CD2 4.36Å; F254-L256 HydrophobicContact CE2-CD2 3.85Å; L256-P258 VanDerWaalsContact O-CD 3.32Å; L256-P258 WeakPolarHBondContact O-CD 3.41Å
257	E	98.8	Very high	98.6	Very high	103 Å²	103	54.8 Å²	54.8	48%	0.481	28%	0.276	S	S	.	.			trans	-69.7	120.4	176.8	-169.1	-178	157.1	0	0	109.2	T255 R259	T255-E257 PolarHBondContact O-N 3.44Å; T255-E257 WeakPolarHBondContact OG1-CB 3.34Å; E257-R259 PolarHBondContact O-N 2.83Å; E257-R259 IonicContact OE1-CZ 3.62Å; E257-R259 IonicContact OE1-NH1 2.67Å; E257-R259 PolarHBondContact OE1-NH1 3.37Å; E257-R259 IonicContact OE1-NH2 3.28Å; E257-R259 PolarHBondContact OE1-NH2 3.5Å; E257-R259 IonicContact OE2-CZ 2.8Å; E257-R259 IonicContact OE2-NH1 3.23Å; E257-R259 IonicContact OE2-NH2 2.95Å; E257-R259 PolarHBondContact OE2-NH2 3.4Å
258	P	98.9	Very high	98.7	Very high	90 Å²	90	51 Å²	51	58%	0.584	26%	0.26	S	S	*	.			trans	-59.1	136.9	177	-24.3	35.3	0	0	0	111.2	T149 L256	T149-P258 HydrophobicContact CG2-CB 3.78Å; T149-P258 HydrophobicContact CG2-CG 4.08Å; L256-P258 VanDerWaalsContact O-CD 3.32Å; L256-P258 WeakPolarHBondContact O-CD 3.41Å
259	R	98.8	Very high	98.7	Very high	46 Å²	46	50 Å²	50	17%	0.174	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-116.2	162.6	176.5	-60.3	-59	-178.6	-158.1	-9.3	111.4	M150 M167 E257 D263 F264	M150-R259 HydrophobicContact CB-CB 4.26Å; M150-R259 PolarHBondContact O-N 2.62Å; M167-R259 HydrophobicContact CE-CG 4.34Å; E257-R259 PolarHBondContact O-N 2.83Å; E257-R259 IonicContact OE1-CZ 3.62Å; E257-R259 IonicContact OE1-NH1 2.67Å; E257-R259 PolarHBondContact OE1-NH1 3.37Å; E257-R259 IonicContact OE1-NH2 3.28Å; E257-R259 PolarHBondContact OE1-NH2 3.5Å; E257-R259 IonicContact OE2-CZ 2.8Å; E257-R259 IonicContact OE2-NH1 3.23Å; E257-R259 IonicContact OE2-NH2 2.95Å; E257-R259 PolarHBondContact OE2-NH2 3.4Å; R259-D263 VanDerWaalsContact CA-OD2 3.28Å; R259-D263 WeakPolarHBondContact CA-OD2 3.45Å; R259-D263 WeakPolarHBondContact CB-OD2 3.49Å; R259-D263 VanDerWaalsContact CD-OD2 3.27Å; R259-D263 WeakPolarHBondContact CD-OD2 3.3Å; R259-F264 HydrophobicContact CB-CE2 3.93Å; R259-F264 HydrophobicContact CB-CZ 4.41Å; R259-F264 HydrophobicContact CG-CE2 4.41Å; R259-F264 HydrophobicContact CG-CZ 4.45Å
260	T	98.8	Very high	98.7	Very high	72 Å²	72	54.6 Å²	54.6	44%	0.442	28%	0.283	S	S	.	.			trans	-115.1	171.5	161.5	74	0	0	0	0	109.8	E262 D263 F264	T260-E262 WeakPolarHBondContact CB-OE2 3.5Å; T260-E262 PolarHBondContact O-N 3.17Å; T260-E262 PolarHBondContact OG1-OE2 3.05Å; T260-D263 PolarHBondContact N-OD2 3.16Å; T260-D263 WeakPolarHBondContact O-CB 3.46Å; T260-D263 PolarHBondContact O-N 3.11Å; T260-F264 WeakPolarHBondContact O-CD2 3.31Å
261	I	98.7	Very high	98.7	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.108	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-67.3	-28.2	-178.4	-163.3	68.5	0	0	0	111.8	L112 H135 M150 L170 D263 F264	L112-I261 HydrophobicContact CD1-CD1 3.6Å; L112-I261 HydrophobicContact CD1-CG1 3.65Å; L112-I261 HydrophobicContact CD2-CG1 4.12Å; L112-I261 HydrophobicContact CG-CD1 4.19Å; L112-I261 HydrophobicContact CG-CG1 3.63Å; H135-I261 HydrophobicContact CB-CD1 4Å; H135-I261 WeakPolarHBondContact ND1-CD1 3.43Å; M150-I261 HydrophobicContact SD-CB 4.49Å; L170-I261 HydrophobicContact CD2-CD1 4.14Å; I261-D263 PolarHBondContact O-N 2.91Å; I261-F264 PolarHBondContact O-N 3.02Å
262	E	98.6	Very high	98.6	Very high	123 Å²	123	53 Å²	53	58%	0.575	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-61.6	-31.4	178.1	-63.7	73.2	-158.9	0	0	112.1	T260 F264 E265	T260-E262 WeakPolarHBondContact CB-OE2 3.5Å; T260-E262 PolarHBondContact O-N 3.17Å; T260-E262 PolarHBondContact OG1-OE2 3.05Å; E262-F264 PolarHBondContact O-N 2.92Å; E262-E265 WeakPolarHBondContact O-CB 3.48Å; E262-E265 PolarHBondContact O-N 2.8Å; E262-E265 VanDerWaalsContact O-N 3.08Å
263	D	98.7	Very high	98.6	Very high	70 Å²	70	57.6 Å²	57.6	37%	0.374	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-59.4	-21.2	175.2	-66.1	-39.1	0	0	0	112.6	M167 R259 T260 I261	M167-D263 HydrophobicContact CE-CB 4.11Å; R259-D263 VanDerWaalsContact CA-OD2 3.28Å; R259-D263 WeakPolarHBondContact CA-OD2 3.45Å; R259-D263 WeakPolarHBondContact CB-OD2 3.49Å; R259-D263 VanDerWaalsContact CD-OD2 3.27Å; R259-D263 WeakPolarHBondContact CD-OD2 3.3Å; T260-D263 PolarHBondContact N-OD2 3.16Å; T260-D263 WeakPolarHBondContact O-CB 3.46Å; T260-D263 PolarHBondContact O-N 3.11Å; I261-D263 PolarHBondContact O-N 2.91Å
264	F	98.7	Very high	98.5	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-99.5	-2	-179.1	-60.4	-89.9	0	0	0	113.9	L131 M167 H169 L170 R259 T260 I261 E262 S266 M267 N268	L131-F264 HydrophobicContact CD1-CB 4.22Å; L131-F264 HydrophobicContact CD2-CB 4.02Å; L131-F264 HydrophobicContact CD2-CD1 3.54Å; L131-F264 HydrophobicContact CD2-CE1 4.19Å; L131-F264 HydrophobicContact CD2-CG 3.89Å; M167-F264 HydrophobicContact CE-CD1 4.27Å; M167-F264 HydrophobicContact CE-CE1 3.83Å; M167-F264 HydrophobicContact CE-CE2 4.36Å; M167-F264 HydrophobicContact CE-CZ 3.89Å; M167-F264 HydrophobicContact CG-CE1 4.26Å; H169-F264 WeakPolarHBondContact O-CE1 3.48Å; L170-F264 HydrophobicContact CB-CE1 4.11Å; L170-F264 HydrophobicContact CB-CZ 4.07Å; L170-F264 HydrophobicContact CD1-CE2 3.81Å; L170-F264 HydrophobicContact CD1-CZ 3.81Å; R259-F264 HydrophobicContact CB-CE2 3.93Å; R259-F264 HydrophobicContact CB-CZ 4.41Å; R259-F264 HydrophobicContact CG-CE2 4.41Å; R259-F264 HydrophobicContact CG-CZ 4.45Å; T260-F264 WeakPolarHBondContact O-CD2 3.31Å; I261-F264 PolarHBondContact O-N 3.02Å; E262-F264 PolarHBondContact O-N 2.92Å; F264-S266 PolarHBondContact O-N 2.87Å; F264-M267 CarbonylContact O-C 3.57Å; F264-M267 PolarHBondContact O-N 2.96Å; F264-M267 VanDerWaalsContact O-N 3.12Å; F264-N268 WeakPolarHBondContact O-CB 3.33Å; F264-N268 PolarHBondContact O-N 2.95Å
265	E	98.4	Very high	98.4	Very high	130 Å²	130	63.1 Å²	63.1	61%	0.607	34%	0.341	S	S	*	.	H	α-helix	trans	-60.2	-43.6	-173.8	-173.9	172.3	-137.8	0	0	112.7	L112 E262 M267 N268 T269	L112-E265 HydrophobicContact CD2-CB 4.18Å; E262-E265 WeakPolarHBondContact O-CB 3.48Å; E262-E265 PolarHBondContact O-N 2.8Å; E262-E265 VanDerWaalsContact O-N 3.08Å; E265-M267 VanDerWaalsContact C-N 3.35Å; E265-M267 PolarHBondContact O-N 2.8Å; E265-N268 WeakPolarHBondContact O-CB 3.48Å; E265-N268 PolarHBondContact O-N 2.93Å; E265-T269 PolarHBondContact O-N 2.62Å; E265-T269 VanDerWaalsContact O-N 3.16Å; E265-T269 PolarHBondContact O-OG1 2.79Å
266	S	98.1	Very high	98.3	Very high	78 Å²	78	64.3 Å²	64.3	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-40.5	176.6	67.5	0	0	0	0	112.1	F264 T269 Y270	F264-S266 PolarHBondContact O-N 2.87Å; S266-T269 PolarHBondContact O-N 2.92Å; S266-Y270 WeakPolarHBondContact O-CB 3.32Å; S266-Y270 PolarHBondContact O-N 3.28Å
267	M	98.1	Very high	98.3	Very high	43 Å²	43	61.4 Å²	61.4	21%	0.212	34%	0.338	C	S	.	.	H	α-helix	trans	-73.6	-35.3	178.6	-70.2	-59.3	101.2	0	0	111.9	M167 I168 F264 E265 T269 Y270 L271	M167-M267 WeakPolarHBondContact O-CG 3.34Å; I168-M267 HydrophobicContact CG2-CG 4.49Å; I168-M267 HydrophobicContact CG2-SD 3.96Å; F264-M267 CarbonylContact O-C 3.57Å; F264-M267 PolarHBondContact O-N 2.96Å; F264-M267 VanDerWaalsContact O-N 3.12Å; E265-M267 VanDerWaalsContact C-N 3.35Å; E265-M267 PolarHBondContact O-N 2.8Å; M267-T269 VanDerWaalsContact C-N 3.3Å; M267-T269 PolarHBondContact O-N 2.97Å; M267-Y270 PolarHBondContact O-N 2.67Å; M267-L271 HydrophobicContact CB-CD1 4.44Å; M267-L271 VanDerWaalsContact O-CB 3.24Å; M267-L271 WeakPolarHBondContact O-CB 3.38Å; M267-L271 WeakPolarHBondContact O-CG 3.44Å; M267-L271 PolarHBondContact O-N 2.72Å
268	N	98.6	Very high	98.2	Very high	12 Å²	12	58 Å²	58	6%	0.064	33%	0.325	C	S	.	.	H	α-helix	trans	-55.7	-47.7	172.6	-171.2	78.4	0	0	0	110.6	M110 L112 W129 L131 F264 E265 Q272	M110-N268 PolarHBondContact O-ND2 3.03Å; M110-N268 PolarHBondContact O-OD1 3.31Å; L112-N268 HydrophobicContact CD1-CB 4.44Å; L112-N268 HydrophobicContact CD2-CB 4.12Å; W129-N268 WeakPolarHBondContact CZ2-OD1 3.42Å; L131-N268 HydrophobicContact CD1-CB 3.9Å; F264-N268 WeakPolarHBondContact O-CB 3.33Å; F264-N268 PolarHBondContact O-N 2.95Å; E265-N268 WeakPolarHBondContact O-CB 3.48Å; E265-N268 PolarHBondContact O-N 2.93Å; N268-Q272 PolarHBondContact ND2-NE2 3.31Å; N268-Q272 VanDerWaalsContact ND2-NE2 3.17Å; N268-Q272 WeakPolarHBondContact O-CG 3.27Å; N268-Q272 PolarHBondContact O-NE2 3.35Å
269	T	98.6	Very high	98.2	Very high	79 Å²	79	54.6 Å²	54.6	49%	0.485	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-47.3	176.6	-57.5	0	0	0	0	111.7	E265 S266 M267 T273	E265-T269 PolarHBondContact O-N 2.62Å; E265-T269 VanDerWaalsContact O-N 3.16Å; E265-T269 PolarHBondContact O-OG1 2.79Å; S266-T269 PolarHBondContact O-N 2.92Å; M267-T269 VanDerWaalsContact C-N 3.3Å; M267-T269 PolarHBondContact O-N 2.97Å; T269-T273 WeakPolarHBondContact O-CG2 3.46Å; T269-T273 PolarHBondContact O-N 3.15Å; T269-T273 PolarHBondContact O-OG1 3.26Å
270	Y	98.5	Very high	98.2	Very high	107 Å²	107	53.3 Å²	53.3	42%	0.42	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-45.4	-178	178.5	-96.3	0	0	0	112.7	S266 M267 Q272 T273 S274	S266-Y270 WeakPolarHBondContact O-CB 3.32Å; S266-Y270 PolarHBondContact O-N 3.28Å; M267-Y270 PolarHBondContact O-N 2.67Å; Y270-Q272 VanDerWaalsContact C-N 3.31Å; Y270-Q272 PolarHBondContact O-N 2.65Å; Y270-T273 PolarHBondContact O-N 3.19Å; Y270-S274 VanDerWaalsContact CZ-OG 3.29Å; Y270-S274 WeakPolarHBondContact O-CB 3.28Å; Y270-S274 PolarHBondContact O-N 3.22Å; Y270-S274 PolarHBondContact OH-OG 2.82Å
271	L	98.4	Very high	98.2	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-26.9	-174.4	-69.9	172.1	0	0	0	113.2	W129 I168 M267 S277 F279	W129-L271 HydrophobicContact CH2-CB 3.71Å; W129-L271 HydrophobicContact CZ3-CB 3.54Å; W129-L271 HydrophobicContact CZ3-CD1 4.49Å; I168-L271 HydrophobicContact CB-CD1 4Å; I168-L271 HydrophobicContact CB-CD2 4.19Å; I168-L271 HydrophobicContact CG2-CD1 4.26Å; I168-L271 HydrophobicContact CG2-CD2 3.93Å; I168-L271 HydrophobicContact CG2-CG 4.42Å; M267-L271 HydrophobicContact CB-CD1 4.44Å; M267-L271 VanDerWaalsContact O-CB 3.24Å; M267-L271 WeakPolarHBondContact O-CB 3.38Å; M267-L271 WeakPolarHBondContact O-CG 3.44Å; M267-L271 PolarHBondContact O-N 2.72Å; L271-S277 WeakPolarHBondContact O-CB 3.38Å; L271-S277 PolarHBondContact O-OG 3.46Å; L271-F279 HydrophobicContact CB-CD2 4.04Å; L271-F279 HydrophobicContact CB-CE2 4.48Å; L271-F279 HydrophobicContact CD1-CE2 4.12Å; L271-F279 HydrophobicContact CD2-CD2 4.06Å; L271-F279 HydrophobicContact CD2-CE2 4.1Å; L271-F279 HydrophobicContact CG-CD2 4.43Å; L271-F279 HydrophobicContact CG-CE2 4.47Å
272	Q	98.3	Very high	98.2	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-92.5	-9.8	177.8	70.4	-169.8	-59.7	0	0	114.4	I104 M110 W129 N268 Y270 T280	I104-Q272 HydrophobicContact CD1-CB 3.76Å; I104-Q272 HydrophobicContact CG1-CB 4Å; M110-Q272 HydrophobicContact CG-CB 4.46Å; W129-Q272 HydrophobicContact CH2-CB 3.92Å; W129-Q272 HydrophobicContact CZ3-CB 4.46Å; N268-Q272 PolarHBondContact ND2-NE2 3.31Å; N268-Q272 VanDerWaalsContact ND2-NE2 3.17Å; N268-Q272 WeakPolarHBondContact O-CG 3.27Å; N268-Q272 PolarHBondContact O-NE2 3.35Å; Y270-Q272 VanDerWaalsContact C-N 3.31Å; Y270-Q272 PolarHBondContact O-N 2.65Å; Q272-T280 VanDerWaalsContact C-CG2 3.44Å; Q272-T280 VanDerWaalsContact O-CG2 3.25Å; Q272-T280 WeakPolarHBondContact O-CG2 3.45Å
273	T	97.8	Very high	98.2	Very high	96 Å²	96	43.6 Å²	43.6	59%	0.589	25%	0.248	S	C	*	.	H	α-helix	trans	-117.6	-31.1	-176.5	57.4	0	0	0	0	113.8	T269 Y270	T269-T273 WeakPolarHBondContact O-CG2 3.46Å; T269-T273 PolarHBondContact O-N 3.15Å; T269-T273 PolarHBondContact O-OG1 3.26Å; Y270-T273 PolarHBondContact O-N 3.19Å
274	S	98.1	Very high	98.2	Very high	14 Å²	14	40.3 Å²	40.3	10%	0.098	23%	0.23	C	C	.	.			trans	-70.9	133	-174.5	177.7	0	0	0	0	111.9	Y270 A276 S277 T280	Y270-S274 VanDerWaalsContact CZ-OG 3.29Å; Y270-S274 WeakPolarHBondContact O-CB 3.28Å; Y270-S274 PolarHBondContact O-N 3.22Å; Y270-S274 PolarHBondContact OH-OG 2.82Å; S274-A276 PolarHBondContact O-N 2.96Å; S274-A276 WeakPolarHBondContact OG-CB 3.4Å; S274-A276 PolarHBondContact OG-N 3.04Å; S274-A276 VanDerWaalsContact OG-N 3.09Å; S274-S277 VanDerWaalsContact O-CB 3.26Å; S274-S277 WeakPolarHBondContact O-CB 3.26Å; S274-S277 PolarHBondContact O-N 2.88Å; S274-T280 WeakPolarHBondContact O-CG2 3.09Å; S274-T280 PolarHBondContact O-OG1 3.29Å
275	P	96.9	Very high	98.2	Very high	107 Å²	107	40.3 Å²	40.3	70%	0.695	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.3	170.4	30.7	-35.8	0	0	0	112.8	S277 R348	P275-S277 VanDerWaalsContact C-N 3.33Å; P275-R348 PolarHBondContact O-NE 2.79Å; P275-R348 VanDerWaalsContact O-NE 3.08Å; P275-R348 PolarHBondContact O-NH2 2.7Å
276	A	96.8	Very high	98.3	Very high	48 Å²	48	34.3 Å²	34.3	40%	0.397	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-16	171.3	0	0	0	0	0	113.2	S274	S274-A276 PolarHBondContact O-N 2.96Å; S274-A276 WeakPolarHBondContact OG-CB 3.4Å; S274-A276 PolarHBondContact OG-N 3.04Å; S274-A276 VanDerWaalsContact OG-N 3.09Å
277	S	97.9	Very high	98.3	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.028	18%	0.181	C	C	.	.			trans	-75.4	137.1	180	-178.8	0	0	0	0	111.8	L271 S274 P275 F279 T280 S281	L271-S277 WeakPolarHBondContact O-CB 3.38Å; L271-S277 PolarHBondContact O-OG 3.46Å; S274-S277 VanDerWaalsContact O-CB 3.26Å; S274-S277 WeakPolarHBondContact O-CB 3.26Å; S274-S277 PolarHBondContact O-N 2.88Å; P275-S277 VanDerWaalsContact C-N 3.33Å; S277-F279 PolarHBondContact O-N 3.42Å; S277-F279 WeakPolarHBondContact OG-CD2 3.39Å; S277-F279 PolarHBondContact OG-N 2.86Å; S277-F279 VanDerWaalsContact OG-N 3.15Å; S277-T280 PolarHBondContact O-N 2.69Å; S277-T280 PolarHBondContact O-OG1 3.49Å; S277-T280 VanDerWaalsContact O-OG1 3.08Å; S277-S281 PolarHBondContact O-N 2.94Å
278	V	97.8	Very high	98.3	Very high	33 Å²	33	29.6 Å²	29.6	20%	0.2	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-31.4	170.4	69.5	0	0	0	0	111.6	T280 S281 K282 R348 F349 F350	V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 2.82Å; V278-S281 PolarHBondContact O-N 2.87Å; V278-S281 VanDerWaalsContact O-N 3.11Å; V278-K282 PolarHBondContact O-N 2.95Å; V278-R348 HydrophobicContact CB-CB 4.21Å; V278-R348 HydrophobicContact CG2-CB 4.1Å; V278-F349 WeakPolarHBondContact CG2-O 3.44Å; V278-F350 HydrophobicContact CG2-CB 3.68Å; V278-F350 HydrophobicContact CG2-CD2 3.75Å; V278-F350 HydrophobicContact CG2-CG 4.11Å
279	F	98.4	Very high	98.4	Very high	18 Å²	18	29.9 Å²	29.9	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-68.9	-26.6	-177.5	-59.6	-80.6	0	0	0	113	F99 N101 I104 H105 W129 L271 S277 F284	F99-F279 HydrophobicContact CZ-CE1 4.08Å; N101-F279 HydrophobicContact CB-CD1 4.12Å; N101-F279 WeakPolarHBondContact ND2-CA 3.36Å; N101-F279 PolarHBondContact ND2-O 2.86Å; I104-F279 HydrophobicContact CD1-CB 3.95Å; H105-F279 PolarHBondContact NE2-O 2.99Å; W129-F279 HydrophobicContact CB-CE1 4.02Å; W129-F279 HydrophobicContact CE3-CB 4.33Å; W129-F279 AromaticContact CE3-CD1 3.64Å; W129-F279 HydrophobicContact CE3-CD1 3.64Å; W129-F279 AromaticContact CE3-CD2 3.97Å; W129-F279 HydrophobicContact CE3-CD2 3.97Å; W129-F279 AromaticContact CE3-CE1 3.78Å; W129-F279 HydrophobicContact CE3-CE1 3.78Å; W129-F279 HydrophobicContact CE3-CE2 4.12Å; W129-F279 AromaticContact CE3-CG 3.73Å; W129-F279 HydrophobicContact CE3-CG 3.73Å; W129-F279 HydrophobicContact CE3-CZ 4.03Å; W129-F279 HydrophobicContact CZ3-CB 4.12Å; W129-F279 HydrophobicContact CZ3-CD1 4.26Å; W129-F279 AromaticContact CZ3-CD2 3.96Å; W129-F279 HydrophobicContact CZ3-CD2 3.96Å; W129-F279 HydrophobicContact CZ3-CE2 4.41Å; W129-F279 AromaticContact CZ3-CG 3.88Å; W129-F279 HydrophobicContact CZ3-CG 3.88Å; L271-F279 HydrophobicContact CB-CD2 4.04Å; L271-F279 HydrophobicContact CB-CE2 4.48Å; L271-F279 HydrophobicContact CD1-CE2 4.12Å; L271-F279 HydrophobicContact CD2-CD2 4.06Å; L271-F279 HydrophobicContact CD2-CE2 4.1Å; L271-F279 HydrophobicContact CG-CD2 4.43Å; L271-F279 HydrophobicContact CG-CE2 4.47Å; S277-F279 PolarHBondContact O-N 3.42Å; S277-F279 WeakPolarHBondContact OG-CD2 3.39Å; S277-F279 PolarHBondContact OG-N 2.86Å; S277-F279 VanDerWaalsContact OG-N 3.15Å; F279-F284 AromaticContact CD1-CE1 3.97Å; F279-F284 HydrophobicContact CD1-CE1 3.97Å; F279-F284 AromaticContact CD1-CZ 3.53Å; F279-F284 HydrophobicContact CD1-CZ 3.53Å; F279-F284 HydrophobicContact CE1-CE1 4.41Å; F279-F284 AromaticContact CE1-CZ 3.65Å; F279-F284 HydrophobicContact CE1-CZ 3.65Å
280	T	98.5	Very high	98.4	Very high	19 Å²	19	31.3 Å²	31.3	12%	0.117	19%	0.185	C	C	.	.	H	α-helix	trans	-89.4	-18.4	172.6	64.1	0	0	0	0	112.4	I104 Q272 S274 S277 V278 K344	I104-T280 HydrophobicContact CG2-CG2 4.48Å; Q272-T280 VanDerWaalsContact C-CG2 3.44Å; Q272-T280 VanDerWaalsContact O-CG2 3.25Å; Q272-T280 WeakPolarHBondContact O-CG2 3.45Å; S274-T280 WeakPolarHBondContact O-CG2 3.09Å; S274-T280 PolarHBondContact O-OG1 3.29Å; S277-T280 PolarHBondContact O-N 2.69Å; S277-T280 PolarHBondContact O-OG1 3.49Å; S277-T280 VanDerWaalsContact O-OG1 3.08Å; V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 2.82Å; T280-K344 WeakPolarHBondContact O-CD 3.3Å; T280-K344 WeakPolarHBondContact O-CE 3.45Å; T280-K344 PolarHBondContact O-NZ 3.22Å
281	S	98.5	Very high	98.4	Very high	8 Å²	8	29.2 Å²	29.2	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-84.9	-39.9	-178.4	-174.6	0	0	0	0	112.5	S277 V278 K344 G346 D347 R348	S277-S281 PolarHBondContact O-N 2.94Å; V278-S281 PolarHBondContact O-N 2.87Å; V278-S281 VanDerWaalsContact O-N 3.11Å; S281-K344 WeakPolarHBondContact O-CD 3.47Å; S281-K344 VanDerWaalsContact O-CG 3.29Å; S281-K344 WeakPolarHBondContact O-CG 3.5Å; S281-G346 VanDerWaalsContact O-CA 3.3Å; S281-G346 WeakPolarHBondContact O-CA 3.31Å; S281-G346 PolarHBondContact O-N 3.08Å; S281-G346 WeakPolarHBondContact OG-CA 3.36Å; S281-D347 PolarHBondContact OG-N 3.45Å; S281-R348 WeakPolarHBondContact OG-CB 3.29Å; S281-R348 VanDerWaalsContact OG-CG 3.31Å; S281-R348 WeakPolarHBondContact OG-CG 3.23Å; S281-R348 PolarHBondContact OG-N 3.39Å
282	K	98.8	Very high	98.4	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-126.1	134.4	-177.5	-70.9	175.3	169.3	175.8	0	111.3	N101 H105 D241 V278 F284 V297 K344 G346 R348 F350	N101-K282 PolarHBondContact ND2-O 2.96Å; H105-K282 PolarHBondContact NE2-O 2.79Å; H105-K282 VanDerWaalsContact NE2-O 3.09Å; D241-K282 WeakPolarHBondContact OD2-CE 3.39Å; D241-K282 IonicContact OD2-NZ 2.71Å; D241-K282 PolarHBondContact OD2-NZ 2.76Å; V278-K282 PolarHBondContact O-N 2.95Å; K282-F284 HydrophobicContact CB-CD1 4.47Å; K282-V297 HydrophobicContact CB-CG1 4.18Å; K282-V297 HydrophobicContact CD-CG1 4.06Å; K282-V297 HydrophobicContact CG-CG1 4.33Å; K282-K344 CarbonylContact C-O 3.59Å; K282-K344 WeakPolarHBondContact CA-O 3.39Å; K282-G346 WeakPolarHBondContact CE-O 3.5Å; K282-R348 VanDerWaalsContact CE-O 3.22Å; K282-R348 WeakPolarHBondContact CE-O 3.4Å; K282-R348 PolarHBondContact NZ-O 3.35Å; K282-F350 HydrophobicContact CD-CB 3.59Å; K282-F350 HydrophobicContact CD-CD1 4.48Å; K282-F350 HydrophobicContact CD-CG 4.27Å; K282-F350 PolarHBondContact NZ-O 3.22Å
283	S	98.9	Very high	98.4	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	17%	0.171	C	C	.	.			trans	-87.5	130	167	63.8	0	0	0	0	109	H105 V297 G298 P343 K344	H105-S283 VanDerWaalsContact CD2-CA 3.47Å; H105-S283 WeakPolarHBondContact CD2-CA 3.37Å; H105-S283 VanDerWaalsContact CD2-CB 3.44Å; H105-S283 WeakPolarHBondContact CD2-CB 3.27Å; H105-S283 VanDerWaalsContact CG-CB 3.47Å; H105-S283 WeakPolarHBondContact NE2-CA 3.46Å; H105-S283 PolarHBondContact NE2-N 2.93Å; S283-V297 CarbonylContact O-C 3.28Å; S283-V297 WeakPolarHBondContact O-CA 3.36Å; S283-G298 PolarHBondContact O-N 3.26Å; S283-P343 WeakPolarHBondContact OG-CA 3.49Å; S283-K344 PolarHBondContact N-O 3.45Å; S283-K344 PolarHBondContact OG-N 3.29Å; S283-K344 PolarHBondContact OG-O 2.86Å
284	F	98.9	Very high	98.5	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.8	179.9	60	-102.5	0	0	0	113.8	F99 E100 N101 F279 K282 L296 V297 F350	F99-F284 HydrophobicContact CD1-CD2 4.01Å; F99-F284 AromaticContact CD1-CE2 3.6Å; F99-F284 HydrophobicContact CD1-CE2 3.6Å; F99-F284 AromaticContact CE1-CD2 3.74Å; F99-F284 HydrophobicContact CE1-CD2 3.74Å; F99-F284 AromaticContact CE1-CE2 3.02Å; F99-F284 HydrophobicContact CE1-CE2 3.02Å; F99-F284 AromaticContact CE1-CZ 3.59Å; F99-F284 HydrophobicContact CE1-CZ 3.59Å; F99-F284 HydrophobicContact CE2-CE2 4.37Å; F99-F284 HydrophobicContact CG-CE2 4.46Å; F99-F284 AromaticContact CZ-CE2 3.51Å; F99-F284 HydrophobicContact CZ-CE2 3.51Å; F99-F284 AromaticContact CZ-CZ 3.72Å; F99-F284 HydrophobicContact CZ-CZ 3.72Å; E100-F284 WeakPolarHBondContact CA-O 3.24Å; E100-F284 WeakPolarHBondContact CB-O 3.45Å; N101-F284 HydrophobicContact CB-CE1 4.35Å; N101-F284 HydrophobicContact CB-CE2 4.2Å; N101-F284 HydrophobicContact CB-CZ 3.97Å; N101-F284 PolarHBondContact N-O 3.12Å; N101-F284 WeakPolarHBondContact ND2-CE1 3.43Å; N101-F284 PolarHBondContact OD1-N 2.85Å; N101-F284 PolarHBondContact OD1-O 2.82Å; F279-F284 AromaticContact CD1-CE1 3.97Å; F279-F284 HydrophobicContact CD1-CE1 3.97Å; F279-F284 AromaticContact CD1-CZ 3.53Å; F279-F284 HydrophobicContact CD1-CZ 3.53Å; F279-F284 HydrophobicContact CE1-CE1 4.41Å; F279-F284 AromaticContact CE1-CZ 3.65Å; F279-F284 HydrophobicContact CE1-CZ 3.65Å; K282-F284 HydrophobicContact CB-CD1 4.47Å; F284-L296 CarbonylContact C-O 3.52Å; F284-L296 WeakPolarHBondContact CA-O 3.32Å; F284-L296 VanDerWaalsContact CB-O 3.26Å; F284-L296 WeakPolarHBondContact CB-O 3.33Å; F284-V297 HydrophobicContact CB-CG2 4.01Å; F284-F350 HydrophobicContact CB-CE1 4.27Å; F284-F350 HydrophobicContact CB-CZ 4.2Å; F284-F350 HydrophobicContact CD1-CD2 4.44Å; F284-F350 HydrophobicContact CD1-CE1 4.16Å; F284-F350 AromaticContact CD1-CE2 3.78Å; F284-F350 HydrophobicContact CD1-CE2 3.78Å; F284-F350 AromaticContact CD1-CZ 3.59Å; F284-F350 HydrophobicContact CD1-CZ 3.59Å; F284-F350 AromaticContact CD2-CZ 3.96Å; F284-F350 HydrophobicContact CD2-CZ 3.96Å; F284-F350 HydrophobicContact CE1-CD2 4.29Å; F284-F350 AromaticContact CE1-CE2 3.62Å; F284-F350 HydrophobicContact CE1-CE2 3.62Å; F284-F350 AromaticContact CE1-CZ 3.89Å; F284-F350 HydrophobicContact CE1-CZ 3.89Å; F284-F350 HydrophobicContact CE2-CE2 4.44Å; F284-F350 HydrophobicContact CE2-CZ 4.28Å; F284-F350 HydrophobicContact CG-CE1 4.15Å; F284-F350 HydrophobicContact CG-CE2 4.23Å; F284-F350 AromaticContact CG-CZ 3.62Å; F284-F350 HydrophobicContact CG-CZ 3.62Å; F284-F350 AromaticContact CZ-CE2 3.96Å; F284-F350 HydrophobicContact CZ-CE2 3.96Å; F284-F350 HydrophobicContact CZ-CZ 4.21Å
285	C	98.9	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	129	172.3	-171.8	0	0	0	0	108.8	P98 F99 E100 L102 C295 L296 L329 F333	P98-C285 WeakPolarHBondContact CB-SG 3.46Å; F99-C285 CarbonylContact O-C 3.47Å; F99-C285 WeakPolarHBondContact O-CA 3.4Å; E100-C285 HydrophobicContact CB-CB 4.01Å; L102-C285 HydrophobicContact CD1-CB 4.22Å; C285-C295 CarbonylContact O-C 3.59Å; C285-C295 WeakPolarHBondContact O-CA 3.26Å; C285-L296 PolarHBondContact N-O 2.79Å; C285-L296 PolarHBondContact O-N 3.27Å; C285-L329 HydrophobicContact CB-CD2 4.35Å; C285-F333 HydrophobicContact CB-CD1 4.33Å; C285-F333 HydrophobicContact CB-CE1 4.42Å; C285-F333 WeakPolarHBondContact O-CE1 3.24Å; C285-F333 WeakPolarHBondContact SG-CD1 3.15Å
286	S	98.9	Very high	98.6	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.2	-179.3	-177.5	0	0	0	0	111.5	P98 F99 R189 V293 H294	P98-S286 CarbonylContact C-O 3.59Å; P98-S286 VanDerWaalsContact CA-O 3.23Å; P98-S286 WeakPolarHBondContact CA-O 3.44Å; F99-S286 PolarHBondContact N-O 3.1Å; F99-S286 PolarHBondContact O-N 2.97Å; R189-S286 WeakPolarHBondContact CA-OG 3.34Å; R189-S286 PolarHBondContact N-OG 2.87Å; S286-V293 VanDerWaalsContact OG-CG2 3.29Å; S286-V293 WeakPolarHBondContact OG-CG2 3.44Å; S286-H294 CarbonylContact C-O 3.54Å; S286-H294 WeakPolarHBondContact CA-O 3.25Å; S286-H294 PolarHBondContact OG-O 2.8Å; S286-H294 VanDerWaalsContact OG-O 3.14Å
287	L	98.9	Very high	98.7	Very high	17 Å²	17	16.6 Å²	16.6	9%	0.089	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.4	-179.5	-171.1	67.6	0	0	0	110.1	P98 H294 F333	P98-L287 HydrophobicContact CB-CD1 4.36Å; P98-L287 HydrophobicContact CG-CD1 4.07Å; L287-H294 PolarHBondContact N-O 3.23Å; L287-H294 PolarHBondContact O-N 3.37Å; L287-F333 HydrophobicContact CB-CD1 3.72Å; L287-F333 HydrophobicContact CB-CE1 4.06Å
288	Q	98.9	Very high	98.7	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.028	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	152	176.4	-52.4	-63.2	-58.1	0	0	109.8	I94 R95 R189 Q192 V293	I94-Q288 HydrophobicContact CB-CB 4.36Å; I94-Q288 HydrophobicContact CB-CG 3.84Å; I94-Q288 HydrophobicContact CD1-CB 4.47Å; I94-Q288 HydrophobicContact CD1-CG 4.09Å; I94-Q288 HydrophobicContact CG1-CB 4.11Å; I94-Q288 HydrophobicContact CG1-CG 3.94Å; I94-Q288 VanDerWaalsContact O-CB 3.31Å; I94-Q288 WeakPolarHBondContact O-CB 3.39Å; I94-Q288 WeakPolarHBondContact O-CG 3.19Å; I94-Q288 PolarHBondContact O-N 3.01Å; R95-Q288 WeakPolarHBondContact CA-O 3.48Å; R95-Q288 HydrophobicContact CG-CB 4.18Å; R189-Q288 PolarHBondContact O-NE2 3.15Å; Q192-Q288 HydrophobicContact CB-CG 4.36Å; Q192-Q288 HydrophobicContact CG-CG 3.76Å; Q288-V293 VanDerWaalsContact NE2-CG2 3.3Å
289	T	98.9	Very high	98.8	Very high	17 Å²	17	17.1 Å²	17.1	10%	0.104	10%	0.101	C	C	.	.			trans	-122.7	174.1	176	65.2	0	0	0	0	108.7	W194 D291 G292 H294 Y303	W194-T289 VanDerWaalsContact CH2-O 3.26Å; W194-T289 WeakPolarHBondContact CH2-O 3.43Å; W194-T289 VanDerWaalsContact CZ2-O 3.29Å; W194-T289 WeakPolarHBondContact CZ2-O 3.15Å; T289-D291 PolarHBondContact O-N 2.91Å; T289-D291 VanDerWaalsContact O-N 3.16Å; T289-D291 PolarHBondContact OG1-OD1 3.47Å; T289-G292 PolarHBondContact N-O 3.13Å; T289-G292 WeakPolarHBondContact OG1-CA 3.45Å; T289-G292 PolarHBondContact OG1-N 3.06Å; T289-G292 PolarHBondContact OG1-O 3.31Å; T289-H294 VanDerWaalsContact CG2-CD2 3.41Å; T289-H294 WeakPolarHBondContact CG2-CD2 3.49Å; T289-Y303 HydrophobicContact CG2-CE2 4.17Å
290	P	98.6	Very high	98.8	Very high	109 Å²	109	17.1 Å²	17.1	71%	0.708	10%	0.103	S	C	*	.	S	Bend	trans	-58.9	-22.7	176.8	-27.3	37.3	0	0	0	115.1	W194	W194-P290 WeakPolarHBondContact CH2-O 3.23Å; W194-P290 WeakPolarHBondContact CZ3-O 3.49Å
291	D	98.5	Very high	98.8	Very high	64 Å²	64	17.1 Å²	17.1	34%	0.342	10%	0.102	S	C	.	.	S	Bend	trans	-132.4	5.8	-175	70.5	-21.3	0	0	0	114.4	T289 Y303 R305 F306	T289-D291 PolarHBondContact O-N 2.91Å; T289-D291 VanDerWaalsContact O-N 3.16Å; T289-D291 PolarHBondContact OG1-OD1 3.47Å; D291-Y303 PolarHBondContact OD1-OH 3.34Å; D291-Y303 PolarHBondContact OD2-OH 3.24Å; D291-R305 IonicContact OD2-NE 3.9Å; D291-F306 PolarHBondContact O-N 3.35Å
292	G	98.8	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-161.4	-164.7	0	0	0	0	0	114.8	T289 R304 F306	T289-G292 PolarHBondContact N-O 3.13Å; T289-G292 WeakPolarHBondContact OG1-CA 3.45Å; T289-G292 PolarHBondContact OG1-N 3.06Å; T289-G292 PolarHBondContact OG1-O 3.31Å; G292-R304 CarbonylContact C-O 3.54Å; G292-R304 WeakPolarHBondContact CA-O 3.48Å; G292-F306 VanDerWaalsContact CA-CD2 3.49Å
293	V	98.9	Very high	98.8	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.2	176.8	55.4	0	0	0	0	111.3	S286 Q288 Y303 R304 F306	S286-V293 VanDerWaalsContact OG-CG2 3.29Å; S286-V293 WeakPolarHBondContact OG-CG2 3.44Å; Q288-V293 VanDerWaalsContact NE2-CG2 3.3Å; V293-Y303 WeakPolarHBondContact O-CA 3.26Å; V293-Y303 WeakPolarHBondContact O-CD2 3.44Å; V293-R304 HydrophobicContact CG1-CB 3.79Å; V293-R304 HydrophobicContact CG1-CG 4.45Å; V293-R304 PolarHBondContact N-O 2.77Å; V293-R304 PolarHBondContact O-N 3.08Å; V293-F306 HydrophobicContact CG1-CE2 4.4Å; V293-F306 HydrophobicContact CG1-CZ 3.95Å
294	H	98.9	Very high	98.8	Very high	38 Å²	38	19.1 Å²	19.1	18%	0.176	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.3	163.9	-69.9	-66	0	0	0	109.9	S286 L287 T289 T302 Y303 I332 F333	S286-H294 CarbonylContact C-O 3.54Å; S286-H294 WeakPolarHBondContact CA-O 3.25Å; S286-H294 PolarHBondContact OG-O 2.8Å; S286-H294 VanDerWaalsContact OG-O 3.14Å; L287-H294 PolarHBondContact N-O 3.23Å; L287-H294 PolarHBondContact O-N 3.37Å; T289-H294 VanDerWaalsContact CG2-CD2 3.41Å; T289-H294 WeakPolarHBondContact CG2-CD2 3.49Å; H294-T302 WeakPolarHBondContact CA-O 3.38Å; H294-Y303 AromaticContact CE1-CD2 3.24Å; H294-Y303 WeakPolarHBondContact CE1-CD2 3.39Å; H294-Y303 AromaticContact CE1-CE2 3.81Å; H294-Y303 AromaticContact CE1-CG 3.49Å; H294-Y303 VanDerWaalsContact CE1-CG 3.49Å; H294-Y303 AromaticContact CG-CD2 3.92Å; H294-Y303 AromaticContact ND1-CD2 3.36Å; H294-Y303 WeakPolarHBondContact ND1-CD2 3.4Å; H294-Y303 AromaticContact ND1-CG 3.67Å; H294-Y303 AromaticContact NE2-CD2 3.76Å; H294-Y303 AromaticContact NE2-CE2 3.91Å; H294-I332 HydrophobicContact CB-CG2 3.72Å; H294-I332 VanDerWaalsContact CD2-CG2 3.44Å; H294-I332 WeakPolarHBondContact CD2-CG2 3.47Å; H294-I332 VanDerWaalsContact CG-CG2 3.43Å; H294-F333 HydrophobicContact CB-CE1 3.78Å; H294-F333 HydrophobicContact CB-CZ 3.8Å
295	C	98.9	Very high	98.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	121.9	169.9	-170.6	0	0	0	0	110.9	R189 C285 T302 I352	R189-C295 HydrophobicContact CG-CB 4.3Å; C285-C295 CarbonylContact O-C 3.59Å; C285-C295 WeakPolarHBondContact O-CA 3.26Å; C295-T302 PolarHBondContact N-O 3.29Å; C295-T302 PolarHBondContact O-N 2.99Å; C295-T302 PolarHBondContact O-OG1 3.19Å; C295-I352 HydrophobicContact CB-CG2 4.2Å
296	L	98.9	Very high	98.8	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.3	168	175.9	62.6	0	0	0	108.2	F284 C285 T300 L301 L320 I325 L329 F333	F284-L296 CarbonylContact C-O 3.52Å; F284-L296 WeakPolarHBondContact CA-O 3.32Å; F284-L296 VanDerWaalsContact CB-O 3.26Å; F284-L296 WeakPolarHBondContact CB-O 3.33Å; C285-L296 PolarHBondContact N-O 2.79Å; C285-L296 PolarHBondContact O-N 3.27Å; L296-T300 WeakPolarHBondContact CA-O 3.46Å; L296-L301 HydrophobicContact CB-CD1 4.34Å; L296-L301 HydrophobicContact CD1-CB 4.28Å; L296-L320 HydrophobicContact CD1-CD1 4.01Å; L296-I325 HydrophobicContact CD2-CG2 4.2Å; L296-L329 HydrophobicContact CD2-CD2 4.03Å; L296-L329 HydrophobicContact CD2-CG 4.43Å; L296-F333 HydrophobicContact CB-CE2 4.07Å; L296-F333 HydrophobicContact CB-CZ 4.1Å
297	V	98.9	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.7	171.6	-175.1	0	0	0	0	109	L242 K282 S283 F284 C299 T300 F350 I352	L242-V297 HydrophobicContact CD1-CB 4.02Å; L242-V297 HydrophobicContact CD1-CG2 4.31Å; L242-V297 HydrophobicContact CD2-CB 4.03Å; L242-V297 HydrophobicContact CD2-CG1 3.81Å; L242-V297 HydrophobicContact CD2-CG2 4.14Å; K282-V297 HydrophobicContact CB-CG1 4.18Å; K282-V297 HydrophobicContact CD-CG1 4.06Å; K282-V297 HydrophobicContact CG-CG1 4.33Å; S283-V297 CarbonylContact O-C 3.28Å; S283-V297 WeakPolarHBondContact O-CA 3.36Å; F284-V297 HydrophobicContact CB-CG2 4.01Å; V297-C299 PolarHBondContact O-N 2.79Å; V297-C299 VanDerWaalsContact O-N 3.12Å; V297-T300 PolarHBondContact N-O 3.38Å; V297-T300 WeakPolarHBondContact O-CB 3.47Å; V297-T300 PolarHBondContact O-N 2.94Å; V297-F350 HydrophobicContact CG1-CD1 4.45Å; V297-F350 HydrophobicContact CG2-CD1 4.1Å; V297-F350 HydrophobicContact CG2-CE1 3.72Å; V297-I352 HydrophobicContact CG2-CG2 4.13Å
298	G	98.6	Very high	98.7	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-116.8	-168.6	0	0	0	0	0	110.5	S283 K344	S283-G298 PolarHBondContact O-N 3.26Å; G298-K344 WeakPolarHBondContact CA-O 3.38Å
299	C	98.5	Very high	98.7	Very high	47 Å²	47	38.2 Å²	38.2	32%	0.318	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	7.3	175.5	-57.2	0	0	0	0	113.5	V297 L320 I325	V297-C299 PolarHBondContact O-N 2.79Å; V297-C299 VanDerWaalsContact O-N 3.12Å; C299-L320 WeakPolarHBondContact CB-O 3.35Å; C299-L320 PolarHBondContact O-N 3.34Å; C299-I325 HydrophobicContact CB-CD1 4.36Å
300	T	98.8	Very high	98.5	Very high	17 Å²	17	43.6 Å²	43.6	10%	0.104	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.7	-174.6	-52.5	0	0	0	0	110.1	F237 L242 L296 V297 T302 F317	F237-T300 HydrophobicContact CD1-CG2 4.42Å; F237-T300 HydrophobicContact CE1-CG2 3.89Å; L242-T300 HydrophobicContact CD1-CG2 4.12Å; L296-T300 WeakPolarHBondContact CA-O 3.46Å; V297-T300 PolarHBondContact N-O 3.38Å; V297-T300 WeakPolarHBondContact O-CB 3.47Å; V297-T300 PolarHBondContact O-N 2.94Å; T300-T302 HydrophobicContact CG2-CG2 4.17Å; T300-F317 HydrophobicContact CG2-CD1 3.69Å; T300-F317 HydrophobicContact CG2-CE1 4.27Å
301	L	98.9	Very high	98.4	Very high	20 Å²	20	42.8 Å²	42.8	11%	0.105	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.4	171.4	178	65.1	0	0	0	109.9	L296 F317 K318 L320 V328 I332 F333	L296-L301 HydrophobicContact CB-CD1 4.34Å; L296-L301 HydrophobicContact CD1-CB 4.28Å; L301-F317 CarbonylContact O-C 3.45Å; L301-F317 WeakPolarHBondContact O-CA 3.46Å; L301-K318 PolarHBondContact N-O 2.88Å; L301-K318 PolarHBondContact O-N 3.39Å; L301-L320 HydrophobicContact CB-CD1 3.88Å; L301-L320 HydrophobicContact CB-CD2 4.35Å; L301-L320 HydrophobicContact CB-CG 4.07Å; L301-L320 HydrophobicContact CD2-CD1 4.48Å; L301-V328 HydrophobicContact CD1-CG1 4.04Å; L301-V328 HydrophobicContact CD2-CG1 4.07Å; L301-V328 HydrophobicContact CD2-CG2 4.13Å; L301-I332 HydrophobicContact CD1-CD1 4.36Å; L301-I332 HydrophobicContact CD2-CD1 3.77Å; L301-F333 HydrophobicContact CD1-CE2 4.14Å; L301-F333 HydrophobicContact CD1-CZ 4.17Å
302	T	98.9	Very high	98.4	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148	175.1	65.3	0	0	0	0	111.6	H294 C295 T300 E316 F317 I352	H294-T302 WeakPolarHBondContact CA-O 3.38Å; C295-T302 PolarHBondContact N-O 3.29Å; C295-T302 PolarHBondContact O-N 2.99Å; C295-T302 PolarHBondContact O-OG1 3.19Å; T300-T302 HydrophobicContact CG2-CG2 4.17Å; T302-E316 WeakPolarHBondContact CA-O 3.39Å; T302-F317 HydrophobicContact CG2-CD1 3.4Å; T302-F317 VanDerWaalsContact CG2-CD1 3.4Å; T302-F317 HydrophobicContact CG2-CE1 3.46Å; T302-F317 VanDerWaalsContact CG2-CE1 3.46Å; T302-F317 HydrophobicContact CG2-CG 3.98Å; T302-F317 HydrophobicContact CG2-CZ 4.07Å; T302-I352 HydrophobicContact CG2-CD1 3.46Å; T302-I352 VanDerWaalsContact CG2-CD1 3.46Å; T302-I352 WeakPolarHBondContact OG1-CD1 3.26Å
303	Y	98.9	Very high	98.4	Very high	45 Å²	45	41.3 Å²	41.3	18%	0.176	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.7	167.6	178.1	-133.1	0	0	0	108.7	T289 D291 V293 H294 R305 I315 E316	T289-Y303 HydrophobicContact CG2-CE2 4.17Å; D291-Y303 PolarHBondContact OD1-OH 3.34Å; D291-Y303 PolarHBondContact OD2-OH 3.24Å; V293-Y303 WeakPolarHBondContact O-CA 3.26Å; V293-Y303 WeakPolarHBondContact O-CD2 3.44Å; H294-Y303 AromaticContact CE1-CD2 3.24Å; H294-Y303 WeakPolarHBondContact CE1-CD2 3.39Å; H294-Y303 AromaticContact CE1-CE2 3.81Å; H294-Y303 AromaticContact CE1-CG 3.49Å; H294-Y303 VanDerWaalsContact CE1-CG 3.49Å; H294-Y303 AromaticContact CG-CD2 3.92Å; H294-Y303 AromaticContact ND1-CD2 3.36Å; H294-Y303 WeakPolarHBondContact ND1-CD2 3.4Å; H294-Y303 AromaticContact ND1-CG 3.67Å; H294-Y303 AromaticContact NE2-CD2 3.76Å; H294-Y303 AromaticContact NE2-CE2 3.91Å; Y303-R305 HydrophobicContact CD1-CG 3.82Å; Y303-R305 VanDerWaalsContact CE1-CD 3.45Å; Y303-R305 HydrophobicContact CE1-CG 3.19Å; Y303-R305 HydrophobicContact CE2-CG 4.22Å; Y303-I315 WeakPolarHBondContact O-CA 3.06Å; Y303-E316 PolarHBondContact N-O 2.93Å; Y303-E316 PolarHBondContact O-N 3.25Å
304	R	98.9	Very high	98.4	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.2	172.8	176.1	-173.8	-66.7	-90.8	-2.1	108.8	R227 G292 V293 F306 D313 L314 I315 I352	R227-R304 VanDerWaalsContact NH2-NH2 3.11Å; G292-R304 CarbonylContact C-O 3.54Å; G292-R304 WeakPolarHBondContact CA-O 3.48Å; V293-R304 HydrophobicContact CG1-CB 3.79Å; V293-R304 HydrophobicContact CG1-CG 4.45Å; V293-R304 PolarHBondContact N-O 2.77Å; V293-R304 PolarHBondContact O-N 3.08Å; R304-F306 HydrophobicContact CG-CD1 4.21Å; R304-F306 HydrophobicContact CG-CE1 4.1Å; R304-D313 HydrophobicContact CG-CB 4.12Å; R304-D313 IonicContact CZ-OD2 2.78Å; R304-D313 IonicContact NH1-OD2 2.82Å; R304-D313 PolarHBondContact NH1-OD2 3.27Å; R304-L314 CarbonylContact C-O 3.55Å; R304-L314 VanDerWaalsContact CA-O 3.24Å; R304-L314 WeakPolarHBondContact CA-O 3.47Å; R304-I315 HydrophobicContact CG-CG1 4.33Å; R304-I352 PolarHBondContact NH2-O 3.12Å
305	R	98.8	Very high	98.4	Very high	85 Å²	85	39.9 Å²	39.9	32%	0.321	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.7	168.6	-66.2	173.5	68.2	-163.5	-4.1	109	D291 Y303 D313 L314	D291-R305 IonicContact OD2-NE 3.9Å; Y303-R305 HydrophobicContact CD1-CG 3.82Å; Y303-R305 VanDerWaalsContact CE1-CD 3.45Å; Y303-R305 HydrophobicContact CE1-CG 3.19Å; Y303-R305 HydrophobicContact CE2-CG 4.22Å; R305-D313 WeakPolarHBondContact O-CA 3.47Å; R305-L314 HydrophobicContact CB-CB 4.39Å; R305-L314 PolarHBondContact N-O 3.08Å; R305-L314 PolarHBondContact O-N 3.49Å; R305-L314 VanDerWaalsContact O-N 3.08Å
306	F	98.8	Very high	98.4	Very high	14 Å²	14	44.2 Å²	44.2	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.4	-177.1	-66.7	-58.6	0	0	0	111	W194 V208 P209 D291 G292 V293 R304 Y308 D313	W194-F306 HydrophobicContact CH2-CD2 4.16Å; W194-F306 HydrophobicContact CH2-CE2 4.49Å; W194-F306 AromaticContact CZ2-CD2 3.79Å; W194-F306 HydrophobicContact CZ2-CD2 3.79Å; W194-F306 AromaticContact CZ2-CE2 3.68Å; W194-F306 HydrophobicContact CZ2-CE2 3.68Å; V208-F306 HydrophobicContact CG1-CB 3.88Å; V208-F306 HydrophobicContact CG1-CD2 4.08Å; V208-F306 HydrophobicContact CG1-CG 4.32Å; P209-F306 HydrophobicContact CB-CD1 4.42Å; P209-F306 HydrophobicContact CB-CE1 3.91Å; P209-F306 HydrophobicContact CB-CE2 4.05Å; P209-F306 HydrophobicContact CB-CZ 3.72Å; P209-F306 HydrophobicContact CG-CD2 4.47Å; P209-F306 HydrophobicContact CG-CE2 4Å; P209-F306 HydrophobicContact CG-CZ 4.14Å; D291-F306 PolarHBondContact O-N 3.35Å; G292-F306 VanDerWaalsContact CA-CD2 3.49Å; V293-F306 HydrophobicContact CG1-CE2 4.4Å; V293-F306 HydrophobicContact CG1-CZ 3.95Å; R304-F306 HydrophobicContact CG-CD1 4.21Å; R304-F306 HydrophobicContact CG-CE1 4.1Å; F306-Y308 PolarHBondContact O-N 3.27Å; F306-D313 WeakPolarHBondContact CA-OD1 3.46Å
307	N	98.3	Very high	98.4	Very high	83 Å²	83	44.9 Å²	44.9	44%	0.444	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.9	43.7	176.4	-164.5	35.3	0	0	0	113.3	K309 N311 T312 D313	N307-K309 VanDerWaalsContact C-N 3.28Å; N307-K309 PolarHBondContact O-N 2.81Å; N307-N311 WeakPolarHBondContact OD1-CA 3.2Å; N307-N311 PolarHBondContact OD1-N 3.24Å; N307-T312 CarbonylContact C-O 3.57Å; N307-D313 PolarHBondContact N-OD1 3.05Å
308	Y	98.1	Very high	98.4	Very high	116 Å²	116	49.9 Å²	49.9	46%	0.455	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	-42.5	-178.4	169.1	-104.2	0	0	0	112.1	F306 T312 L314	F306-Y308 PolarHBondContact O-N 3.27Å; Y308-T312 PolarHBondContact N-O 3.08Å; Y308-L314 HydrophobicContact CD1-CB 3.89Å; Y308-L314 HydrophobicContact CD1-CD2 4.38Å; Y308-L314 HydrophobicContact CD2-CB 4.23Å; Y308-L314 HydrophobicContact CD2-CD2 3.99Å; Y308-L314 HydrophobicContact CE1-CD2 4.41Å; Y308-L314 HydrophobicContact CE2-CD2 4.02Å; Y308-L314 HydrophobicContact CG-CB 3.66Å; Y308-L314 HydrophobicContact CG-CD2 4.18Å
309	K	97.4	Very high	98.4	Very high	130 Å²	130	54 Å²	54	57%	0.565	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.5	141.2	178.6	-170.3	-179.4	177.1	-170.8	0	110.6	N307 N311 T312	N307-K309 VanDerWaalsContact C-N 3.28Å; N307-K309 PolarHBondContact O-N 2.81Å; K309-N311 VanDerWaalsContact C-N 3.34Å; K309-N311 PolarHBondContact O-N 2.98Å; K309-N311 VanDerWaalsContact O-N 3.16Å; K309-T312 PolarHBondContact N-O 3.08Å; K309-T312 WeakPolarHBondContact O-CA 3.47Å; K309-T312 WeakPolarHBondContact O-CB 3.49Å; K309-T312 PolarHBondContact O-N 2.99Å; K309-T312 PolarHBondContact O-OG1 3.17Å
310	D	96.2	Very high	98.3	Very high	129 Å²	129	52.2 Å²	52.2	69%	0.69	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	49.7	168.5	-55.9	-30.7	0	0	0	114.5	T312	D310-T312 PolarHBondContact O-N 3.07Å; D310-T312 PolarHBondContact O-OG1 3.21Å
311	N	96.4	Very high	98.2	Very high	92 Å²	92	55.4 Å²	55.4	49%	0.492	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.6	-177.6	-163	45.8	0	0	0	114	R228 D229 N307 K309	R228-N311 VanDerWaalsContact CB-O 3.29Å; R228-N311 WeakPolarHBondContact CB-O 3.47Å; R228-N311 VanDerWaalsContact CD-OD1 3.27Å; R228-N311 WeakPolarHBondContact CD-OD1 3.42Å; R228-N311 WeakPolarHBondContact CG-OD1 3.4Å; R228-N311 PolarHBondContact NE-OD1 3.15Å; D229-N311 PolarHBondContact N-O 3.16Å; N307-N311 WeakPolarHBondContact OD1-CA 3.2Å; N307-N311 PolarHBondContact OD1-N 3.24Å; K309-N311 VanDerWaalsContact C-N 3.34Å; K309-N311 PolarHBondContact O-N 2.98Å; K309-N311 VanDerWaalsContact O-N 3.16Å
312	T	98.5	Very high	97.8	Very high	30 Å²	30	60.4 Å²	60.4	18%	0.184	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.4	179.7	-54.1	0	0	0	0	110.1	D229 N307 Y308 K309 D310	D229-T312 HydrophobicContact CB-CG2 3.98Å; D229-T312 CarbonylContact O-C 3.5Å; D229-T312 WeakPolarHBondContact O-CA 3.38Å; D229-T312 WeakPolarHBondContact O-CG2 3.49Å; N307-T312 CarbonylContact C-O 3.57Å; Y308-T312 PolarHBondContact N-O 3.08Å; K309-T312 PolarHBondContact N-O 3.08Å; K309-T312 WeakPolarHBondContact O-CA 3.47Å; K309-T312 WeakPolarHBondContact O-CB 3.49Å; K309-T312 PolarHBondContact O-N 2.99Å; K309-T312 PolarHBondContact O-OG1 3.17Å; D310-T312 PolarHBondContact O-N 3.07Å; D310-T312 PolarHBondContact O-OG1 3.21Å
313	D	98.8	Very high	97.5	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.6	169.7	-66.2	-11.6	0	0	0	110	R228 D229 Y231 R304 R305 F306 N307	R228-D313 IonicContact NH1-OD1 3.73Å; D229-D313 PolarHBondContact O-N 2.61Å; Y231-D313 PolarHBondContact N-O 3.36Å; R304-D313 HydrophobicContact CG-CB 4.12Å; R304-D313 IonicContact CZ-OD2 2.78Å; R304-D313 IonicContact NH1-OD2 2.82Å; R304-D313 PolarHBondContact NH1-OD2 3.27Å; R305-D313 WeakPolarHBondContact O-CA 3.47Å; F306-D313 WeakPolarHBondContact CA-OD1 3.46Å; N307-D313 PolarHBondContact N-OD1 3.05Å
314	L	98.8	Very high	97.4	Very high	10 Å²	10	67.3 Å²	67.3	5%	0.052	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.2	169.1	167.2	63.8	0	0	0	108.9	Y231 P233 R304 R305 Y308 E316	Y231-L314 HydrophobicContact CD1-CD1 3.63Å; Y231-L314 HydrophobicContact CE1-CD1 4.01Å; P233-L314 HydrophobicContact CG-CD1 3.82Å; R304-L314 CarbonylContact C-O 3.55Å; R304-L314 VanDerWaalsContact CA-O 3.24Å; R304-L314 WeakPolarHBondContact CA-O 3.47Å; R305-L314 HydrophobicContact CB-CB 4.39Å; R305-L314 PolarHBondContact N-O 3.08Å; R305-L314 PolarHBondContact O-N 3.49Å; R305-L314 VanDerWaalsContact O-N 3.08Å; Y308-L314 HydrophobicContact CD1-CB 3.89Å; Y308-L314 HydrophobicContact CD1-CD2 4.38Å; Y308-L314 HydrophobicContact CD2-CB 4.23Å; Y308-L314 HydrophobicContact CD2-CD2 3.99Å; Y308-L314 HydrophobicContact CE1-CD2 4.41Å; Y308-L314 HydrophobicContact CE2-CD2 4.02Å; Y308-L314 HydrophobicContact CG-CB 3.66Å; Y308-L314 HydrophobicContact CG-CD2 4.18Å; L314-E316 HydrophobicContact CD1-CG 4.13Å; L314-E316 HydrophobicContact CD2-CG 4.23Å; L314-E316 HydrophobicContact CG-CG 4.07Å
315	I	98.8	Very high	97.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.4	176.8	-45.7	168.8	0	0	0	109.6	Q230 Y231 I232 P233 L243 Y303 R304 F317 I352	Q230-I315 HydrophobicContact CB-CD1 3.84Å; Q230-I315 HydrophobicContact CG-CD1 3.87Å; Q230-I315 VanDerWaalsContact OE1-CD1 3.27Å; Y231-I315 PolarHBondContact O-N 2.97Å; I232-I315 HydrophobicContact CG1-CB 4.38Å; I232-I315 HydrophobicContact CG1-CD1 4.35Å; P233-I315 WeakPolarHBondContact CD-O 3.37Å; L243-I315 HydrophobicContact CD2-CD1 3.87Å; Y303-I315 WeakPolarHBondContact O-CA 3.06Å; R304-I315 HydrophobicContact CG-CG1 4.33Å; I315-F317 HydrophobicContact CB-CE2 4.17Å; I315-F317 HydrophobicContact CG2-CD2 4.04Å; I315-F317 HydrophobicContact CG2-CE2 3.43Å; I315-F317 VanDerWaalsContact CG2-CE2 3.43Å; I315-F317 HydrophobicContact CG2-CZ 4.05Å; I315-I352 HydrophobicContact CG2-CD1 4.22Å
316	E	98.7	Very high	97.2	Very high	92 Å²	92	70.5 Å²	70.5	43%	0.43	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.9	176.9	-62.4	-179.7	115.9	0	0	110.1	P233 T302 Y303 L314	P233-E316 HydrophobicContact CG-CG 4.5Å; T302-E316 WeakPolarHBondContact CA-O 3.39Å; Y303-E316 PolarHBondContact N-O 2.93Å; Y303-E316 PolarHBondContact O-N 3.25Å; L314-E316 HydrophobicContact CD1-CG 4.13Å; L314-E316 HydrophobicContact CD2-CG 4.23Å; L314-E316 HydrophobicContact CG-CG 4.07Å
317	F	98.7	Very high	97.2	Very high	18 Å²	18	76 Å²	76	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.4	179.1	-76.2	-102.1	0	0	0	110.4	I232 F237 L242 L243 T300 L301 T302 I315 I352	I232-F317 HydrophobicContact CG1-CE2 4.47Å; I232-F317 HydrophobicContact CG2-CD2 4.03Å; I232-F317 HydrophobicContact CG2-CE2 4.04Å; F237-F317 HydrophobicContact CB-CB 4.11Å; F237-F317 HydrophobicContact CB-CD1 3.85Å; F237-F317 HydrophobicContact CB-CD2 3.83Å; F237-F317 HydrophobicContact CB-CE1 4.18Å; F237-F317 HydrophobicContact CB-CE2 4.15Å; F237-F317 HydrophobicContact CB-CG 3.68Å; F237-F317 HydrophobicContact CB-CZ 4.32Å; F237-F317 HydrophobicContact CD1-CB 3.89Å; F237-F317 AromaticContact CD1-CD1 3.35Å; F237-F317 HydrophobicContact CD1-CD1 3.35Å; F237-F317 HydrophobicContact CD1-CE1 4.02Å; F237-F317 AromaticContact CD1-CG 3.78Å; F237-F317 HydrophobicContact CD1-CG 3.78Å; F237-F317 HydrophobicContact CD2-CB 3.38Å; F237-F317 HydrophobicContact CD2-CD1 4.36Å; F237-F317 AromaticContact CD2-CG 3.93Å; F237-F317 HydrophobicContact CD2-CG 3.93Å; F237-F317 HydrophobicContact CE1-CB 4.12Å; F237-F317 AromaticContact CE1-CD1 3.93Å; F237-F317 HydrophobicContact CE1-CD1 3.93Å; F237-F317 HydrophobicContact CE1-CG 4.38Å; F237-F317 HydrophobicContact CE2-CB 3.63Å; F237-F317 HydrophobicContact CG-CB 3.51Å; F237-F317 AromaticContact CG-CD1 3.59Å; F237-F317 HydrophobicContact CG-CD1 3.59Å; F237-F317 HydrophobicContact CG-CD2 4.17Å; F237-F317 HydrophobicContact CG-CE1 4.32Å; F237-F317 AromaticContact CG-CG 3.51Å; F237-F317 HydrophobicContact CG-CG 3.51Å; F237-F317 HydrophobicContact CZ-CB 3.99Å; L242-F317 HydrophobicContact CD1-CE1 4.42Å; L243-F317 HydrophobicContact CD1-CE2 4.48Å; L243-F317 HydrophobicContact CD1-CZ 4.28Å; L243-F317 HydrophobicContact CD2-CE2 4.18Å; L243-F317 HydrophobicContact CD2-CZ 3.83Å; L243-F317 HydrophobicContact CG-CZ 4.01Å; T300-F317 HydrophobicContact CG2-CD1 3.69Å; T300-F317 HydrophobicContact CG2-CE1 4.27Å; L301-F317 CarbonylContact O-C 3.45Å; L301-F317 WeakPolarHBondContact O-CA 3.46Å; T302-F317 HydrophobicContact CG2-CD1 3.4Å; T302-F317 VanDerWaalsContact CG2-CD1 3.4Å; T302-F317 HydrophobicContact CG2-CE1 3.46Å; T302-F317 VanDerWaalsContact CG2-CE1 3.46Å; T302-F317 HydrophobicContact CG2-CG 3.98Å; T302-F317 HydrophobicContact CG2-CZ 4.07Å; I315-F317 HydrophobicContact CB-CE2 4.17Å; I315-F317 HydrophobicContact CG2-CD2 4.04Å; I315-F317 HydrophobicContact CG2-CE2 3.43Å; I315-F317 VanDerWaalsContact CG2-CE2 3.43Å; I315-F317 HydrophobicContact CG2-CZ 4.05Å; F317-I352 HydrophobicContact CE1-CD1 4.14Å; F317-I352 HydrophobicContact CZ-CD1 3.88Å
318	K	98.2	Very high	97.2	Very high	104 Å²	104	73 Å²	73	45%	0.452	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	127.1	171.1	-174	-176.9	173.7	-164.5	0	110.1	L301 L320 E324	L301-K318 PolarHBondContact N-O 2.88Å; L301-K318 PolarHBondContact O-N 3.39Å; K318-L320 HydrophobicContact CD-CD2 3.76Å; K318-L320 HydrophobicContact CG-CD2 3.97Å; K318-E324 IonicContact NZ-OE1 2.87Å; K318-E324 PolarHBondContact NZ-OE1 3Å
319	T	98.4	Very high	97.2	Very high	89 Å²	89	67.7 Å²	67.7	55%	0.546	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134	166.6	-54.6	0	0	0	0	109.5
320	L	98.3	Very high	97.2	Very high	9 Å²	9	66 Å²	66	5%	0.047	32%	0.324	C	S	.	.			trans	-110.5	147.8	180	-55.2	-176.3	0	0	0	111	L296 C299 L301 K318 E324 I325 V328	L296-L320 HydrophobicContact CD1-CD1 4.01Å; C299-L320 WeakPolarHBondContact CB-O 3.35Å; C299-L320 PolarHBondContact O-N 3.34Å; L301-L320 HydrophobicContact CB-CD1 3.88Å; L301-L320 HydrophobicContact CB-CD2 4.35Å; L301-L320 HydrophobicContact CB-CG 4.07Å; L301-L320 HydrophobicContact CD2-CD1 4.48Å; K318-L320 HydrophobicContact CD-CD2 3.76Å; K318-L320 HydrophobicContact CG-CD2 3.97Å; L320-E324 WeakPolarHBondContact CA-OE2 3.46Å; L320-E324 HydrophobicContact CB-CB 4.01Å; L320-E324 HydrophobicContact CD2-CB 4.17Å; L320-I325 HydrophobicContact CB-CG1 3.86Å; L320-I325 HydrophobicContact CD1-CG1 4.05Å; L320-V328 HydrophobicContact CD1-CB 3.97Å; L320-V328 HydrophobicContact CD1-CG1 4.03Å; L320-V328 HydrophobicContact CD1-CG2 3.73Å; L320-V328 HydrophobicContact CD2-CG2 4.41Å
321	N	96.4	Very high	97.3	Very high	85 Å²	85	66.2 Å²	66.2	46%	0.455	33%	0.325	S	S	.	.			trans	-85.7	174.2	162.2	68.1	47.9	0	0	0	111.7	E323 E324 I325	N321-E323 PolarHBondContact O-N 3.46Å; N321-E323 PolarHBondContact OD1-N 3.17Å; N321-E324 PolarHBondContact N-OE2 2.85Å; N321-E324 PolarHBondContact ND2-OE2 2.78Å; N321-E324 PolarHBondContact O-N 2.85Å; N321-E324 WeakPolarHBondContact OD1-CG 3.39Å; N321-E324 PolarHBondContact OD1-N 3.39Å; N321-I325 WeakPolarHBondContact O-CG1 3.46Å; N321-I325 PolarHBondContact O-N 2.95Å; N321-I325 VanDerWaalsContact O-N 3.13Å
322	E	90.3	Very high	97.4	Very high	124 Å²	124	64.2 Å²	64.2	58%	0.579	31%	0.313	S	S	*	.	H	α-helix	trans	-56.8	-43.5	-178.2	-70	-170.6	-165	0	0	113.4	E324 I325 K340	E322-E324 VanDerWaalsContact C-N 3.34Å; E322-E324 PolarHBondContact O-N 2.71Å; E322-I325 PolarHBondContact O-N 3.11Å; E322-K340 WeakPolarHBondContact OE2-CE 3.44Å; E322-K340 IonicContact OE2-NZ 2.81Å; E322-K340 PolarHBondContact OE2-NZ 3Å
323	E	91.8	Very high	97.5	Very high	141 Å²	141	62.9 Å²	62.9	66%	0.659	31%	0.305	S	S	*	.	H	α-helix	trans	-68.9	-33	-179.1	-62.3	-177.9	-174.4	0	0	112.4	N321	N321-E323 PolarHBondContact O-N 3.46Å; N321-E323 PolarHBondContact OD1-N 3.17Å
324	E	97.6	Very high	97.4	Very high	54 Å²	54	65.8 Å²	65.8	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-69.9	-34.1	175.9	-73.6	-179.5	119	0	0	111.9	K318 L320 N321 E322 E326 K327 V328	K318-E324 IonicContact NZ-OE1 2.87Å; K318-E324 PolarHBondContact NZ-OE1 3Å; L320-E324 WeakPolarHBondContact CA-OE2 3.46Å; L320-E324 HydrophobicContact CB-CB 4.01Å; L320-E324 HydrophobicContact CD2-CB 4.17Å; N321-E324 PolarHBondContact N-OE2 2.85Å; N321-E324 PolarHBondContact ND2-OE2 2.78Å; N321-E324 PolarHBondContact O-N 2.85Å; N321-E324 WeakPolarHBondContact OD1-CG 3.39Å; N321-E324 PolarHBondContact OD1-N 3.39Å; E322-E324 VanDerWaalsContact C-N 3.34Å; E322-E324 PolarHBondContact O-N 2.71Å; E324-E326 PolarHBondContact O-N 3.47Å; E324-K327 PolarHBondContact O-N 3.23Å; E324-V328 VanDerWaalsContact O-CB 3.31Å; E324-V328 WeakPolarHBondContact O-CB 3.45Å; E324-V328 VanDerWaalsContact O-CG2 3.3Å; E324-V328 WeakPolarHBondContact O-CG2 3.34Å; E324-V328 PolarHBondContact O-N 3.42Å
325	I	98.3	Very high	97.4	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-46.9	-180	-71.8	168.5	0	0	0	110.9	L296 C299 L320 N321 E322 K327 V328 L329 L341 P343	L296-I325 HydrophobicContact CD2-CG2 4.2Å; C299-I325 HydrophobicContact CB-CD1 4.36Å; L320-I325 HydrophobicContact CB-CG1 3.86Å; L320-I325 HydrophobicContact CD1-CG1 4.05Å; N321-I325 WeakPolarHBondContact O-CG1 3.46Å; N321-I325 PolarHBondContact O-N 2.95Å; N321-I325 VanDerWaalsContact O-N 3.13Å; E322-I325 PolarHBondContact O-N 3.11Å; I325-K327 PolarHBondContact O-N 3.38Å; I325-V328 PolarHBondContact O-N 3.48Å; I325-L329 HydrophobicContact CG2-CD1 3.99Å; I325-L329 HydrophobicContact CG2-CG 4.26Å; I325-L329 WeakPolarHBondContact O-CB 3.22Å; I325-L329 WeakPolarHBondContact O-CG 3.02Å; I325-L329 PolarHBondContact O-N 3.35Å; I325-L341 HydrophobicContact CG2-CD2 3.97Å; I325-P343 HydrophobicContact CD1-CB 4.03Å; I325-P343 HydrophobicContact CD1-CG 3.48Å; I325-P343 VanDerWaalsContact CD1-CG 3.48Å
326	E	95.8	Very high	97.4	Very high	150 Å²	150	68.4 Å²	68.4	70%	0.701	34%	0.339	S	S	*	.	H	α-helix	trans	-60.9	-45.1	179.5	-171.7	-179.1	162.3	0	0	111.7	E324 V328 L329 K330	E324-E326 PolarHBondContact O-N 3.47Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.09Å; E326-L329 PolarHBondContact O-N 3.15Å; E326-K330 PolarHBondContact O-N 2.82Å
327	K	97.7	Very high	97.3	Very high	129 Å²	129	66.1 Å²	66.1	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-62.8	-40.3	176.4	-66.7	174.3	-173.4	166.6	0	111.7	E324 I325 K330 N331	E324-K327 PolarHBondContact O-N 3.23Å; I325-K327 PolarHBondContact O-N 3.38Å; K327-K330 PolarHBondContact O-N 2.9Å; K327-N331 VanDerWaalsContact O-CB 3.24Å; K327-N331 WeakPolarHBondContact O-CB 3.44Å; K327-N331 PolarHBondContact O-N 2.91Å; K327-N331 PolarHBondContact O-ND2 3.01Å
328	V	98.5	Very high	97.1	Very high	20 Å²	20	71.3 Å²	71.3	12%	0.121	36%	0.355	C	S	.	.	H	α-helix	trans	-67.3	-45.1	178.1	159.5	0	0	0	0	111.4	L301 L320 E324 I325 E326 K330 N331 I332 F333	L301-V328 HydrophobicContact CD1-CG1 4.04Å; L301-V328 HydrophobicContact CD2-CG1 4.07Å; L301-V328 HydrophobicContact CD2-CG2 4.13Å; L320-V328 HydrophobicContact CD1-CB 3.97Å; L320-V328 HydrophobicContact CD1-CG1 4.03Å; L320-V328 HydrophobicContact CD1-CG2 3.73Å; L320-V328 HydrophobicContact CD2-CG2 4.41Å; E324-V328 VanDerWaalsContact O-CB 3.31Å; E324-V328 WeakPolarHBondContact O-CB 3.45Å; E324-V328 VanDerWaalsContact O-CG2 3.3Å; E324-V328 WeakPolarHBondContact O-CG2 3.34Å; E324-V328 PolarHBondContact O-N 3.42Å; I325-V328 PolarHBondContact O-N 3.48Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.09Å; V328-K330 VanDerWaalsContact C-N 3.26Å; V328-K330 PolarHBondContact O-N 2.96Å; V328-N331 PolarHBondContact O-N 3.4Å; V328-I332 HydrophobicContact CG1-CD1 4.1Å; V328-I332 HydrophobicContact CG2-CD1 4.48Å; V328-I332 WeakPolarHBondContact O-CB 3.41Å; V328-I332 PolarHBondContact O-N 3.18Å; V328-F333 HydrophobicContact CG1-CD2 4.24Å; V328-F333 HydrophobicContact CG1-CE2 3.84Å
329	L	98.6	Very high	97	Very high	5 Å²	5	72.8 Å²	72.8	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-55.6	-44.6	174.7	-73.6	176.4	0	0	0	110.9	L102 C285 L296 I325 E326 F333 N334 V335 L337 L341	L102-L329 HydrophobicContact CD1-CD1 4.3Å; L102-L329 HydrophobicContact CD1-CD2 3.71Å; C285-L329 HydrophobicContact CB-CD2 4.35Å; L296-L329 HydrophobicContact CD2-CD2 4.03Å; L296-L329 HydrophobicContact CD2-CG 4.43Å; I325-L329 HydrophobicContact CG2-CD1 3.99Å; I325-L329 HydrophobicContact CG2-CG 4.26Å; I325-L329 WeakPolarHBondContact O-CB 3.22Å; I325-L329 WeakPolarHBondContact O-CG 3.02Å; I325-L329 PolarHBondContact O-N 3.35Å; E326-L329 PolarHBondContact O-N 3.15Å; L329-F333 HydrophobicContact CD2-CD2 4.31Å; L329-F333 CarbonylContact O-C 3.49Å; L329-F333 WeakPolarHBondContact O-CA 3.42Å; L329-F333 WeakPolarHBondContact O-CB 3.12Å; L329-F333 PolarHBondContact O-N 3.31Å; L329-N334 PolarHBondContact O-N 2.98Å; L329-N334 VanDerWaalsContact O-N 3.11Å; L329-V335 CarbonylContact C-O 3.47Å; L329-V335 HydrophobicContact CB-CB 4.26Å; L329-V335 HydrophobicContact CB-CG1 4.42Å; L329-V335 HydrophobicContact CD2-CB 4.48Å; L329-V335 HydrophobicContact CD2-CG1 4.44Å; L329-V335 PolarHBondContact O-N 2.62Å; L329-L337 HydrophobicContact CD1-CD1 3.67Å; L329-L337 HydrophobicContact CD1-CG 4.29Å; L329-L341 HydrophobicContact CD1-CD2 3.99Å
330	K	97.8	Very high	96.9	Very high	95 Å²	95	75.8 Å²	75.8	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-69.8	-50.4	178.4	-173.2	56.5	172.2	176.4	0	113.3	E326 K327 V328 N334 V335 S336	E326-K330 PolarHBondContact O-N 2.82Å; K327-K330 PolarHBondContact O-N 2.9Å; V328-K330 VanDerWaalsContact C-N 3.26Å; V328-K330 PolarHBondContact O-N 2.96Å; K330-N334 PolarHBondContact NZ-OD1 3.37Å; K330-N334 VanDerWaalsContact O-CA 3.24Å; K330-N334 WeakPolarHBondContact O-CA 3.5Å; K330-N334 PolarHBondContact O-N 2.72Å; K330-V335 WeakPolarHBondContact CA-O 3.41Å; K330-V335 PolarHBondContact N-O 3.4Å; K330-S336 WeakPolarHBondContact CD-OG 3.49Å; K330-S336 PolarHBondContact NZ-OG 2.81Å; K330-S336 VanDerWaalsContact NZ-OG 3.13Å
331	N	98.3	Very high	96.9	Very high	133 Å²	133	76.2 Å²	76.2	71%	0.711	37%	0.365	S	S	*	.	H	α-helix	trans	-79.4	-35.3	-168.7	-66.6	-17.7	0	0	0	113.3	K327 V328	K327-N331 VanDerWaalsContact O-CB 3.24Å; K327-N331 WeakPolarHBondContact O-CB 3.44Å; K327-N331 PolarHBondContact O-N 2.91Å; K327-N331 PolarHBondContact O-ND2 3.01Å; V328-N331 PolarHBondContact O-N 3.4Å
332	I	98.5	Very high	97	Very high	50 Å²	50	78 Å²	78	26%	0.256	37%	0.373	S	S	.	.	H	α-helix	trans	-95.3	-42.9	-176.5	-61	-172.6	0	0	0	111	H294 L301 V328	H294-I332 HydrophobicContact CB-CG2 3.72Å; H294-I332 VanDerWaalsContact CD2-CG2 3.44Å; H294-I332 WeakPolarHBondContact CD2-CG2 3.47Å; H294-I332 VanDerWaalsContact CG-CG2 3.43Å; L301-I332 HydrophobicContact CD1-CD1 4.36Å; L301-I332 HydrophobicContact CD2-CD1 3.77Å; V328-I332 HydrophobicContact CG1-CD1 4.1Å; V328-I332 HydrophobicContact CG2-CD1 4.48Å; V328-I332 WeakPolarHBondContact O-CB 3.41Å; V328-I332 PolarHBondContact O-N 3.18Å
333	F	98.6	Very high	97.3	Very high	1 Å²	1	73.7 Å²	73.7	0%	0.004	36%	0.356	C	S	.	.	H	α-helix	trans	-104.5	-5.4	-171.5	-57	-83.3	0	0	0	113.7	P98 C285 L287 H294 L296 L301 V328 L329 V335	P98-F333 HydrophobicContact CG-CB 4.27Å; C285-F333 HydrophobicContact CB-CD1 4.33Å; C285-F333 HydrophobicContact CB-CE1 4.42Å; C285-F333 WeakPolarHBondContact O-CE1 3.24Å; C285-F333 WeakPolarHBondContact SG-CD1 3.15Å; L287-F333 HydrophobicContact CB-CD1 3.72Å; L287-F333 HydrophobicContact CB-CE1 4.06Å; H294-F333 HydrophobicContact CB-CE1 3.78Å; H294-F333 HydrophobicContact CB-CZ 3.8Å; L296-F333 HydrophobicContact CB-CE2 4.07Å; L296-F333 HydrophobicContact CB-CZ 4.1Å; L301-F333 HydrophobicContact CD1-CE2 4.14Å; L301-F333 HydrophobicContact CD1-CZ 4.17Å; V328-F333 HydrophobicContact CG1-CD2 4.24Å; V328-F333 HydrophobicContact CG1-CE2 3.84Å; L329-F333 HydrophobicContact CD2-CD2 4.31Å; L329-F333 CarbonylContact O-C 3.49Å; L329-F333 WeakPolarHBondContact O-CA 3.42Å; L329-F333 WeakPolarHBondContact O-CB 3.12Å; L329-F333 PolarHBondContact O-N 3.31Å; F333-V335 HydrophobicContact CB-CB 4.34Å; F333-V335 HydrophobicContact CB-CG2 3.94Å; F333-V335 PolarHBondContact O-N 3.28Å
334	N	98.5	Very high	97.7	Very high	66 Å²	66	71.7 Å²	71.7	35%	0.353	35%	0.345	S	S	.	.			trans	51.7	28.7	-169.7	-165.8	28.5	0	0	0	113.9	L329 K330	L329-N334 PolarHBondContact O-N 2.98Å; L329-N334 VanDerWaalsContact O-N 3.11Å; K330-N334 PolarHBondContact NZ-OD1 3.37Å; K330-N334 VanDerWaalsContact O-CA 3.24Å; K330-N334 WeakPolarHBondContact O-CA 3.5Å; K330-N334 PolarHBondContact O-N 2.72Å
335	V	98.6	Very high	97.7	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.012	35%	0.349	C	S	.	.			trans	-93	133.3	179.4	168.9	0	0	0	0	109.6	P98 L102 L329 K330 F333 L337	P98-V335 HydrophobicContact CG-CG2 4.01Å; L102-V335 HydrophobicContact CD1-CG1 4Å; L329-V335 CarbonylContact C-O 3.47Å; L329-V335 HydrophobicContact CB-CB 4.26Å; L329-V335 HydrophobicContact CB-CG1 4.42Å; L329-V335 HydrophobicContact CD2-CB 4.48Å; L329-V335 HydrophobicContact CD2-CG1 4.44Å; L329-V335 PolarHBondContact O-N 2.62Å; K330-V335 WeakPolarHBondContact CA-O 3.41Å; K330-V335 PolarHBondContact N-O 3.4Å; F333-V335 HydrophobicContact CB-CB 4.34Å; F333-V335 HydrophobicContact CB-CG2 3.94Å; F333-V335 PolarHBondContact O-N 3.28Å; V335-L337 HydrophobicContact CG1-CD2 3.68Å; V335-L337 HydrophobicContact CG1-CG 4.1Å
336	S	97.7	Very high	97.7	Very high	62 Å²	62	73.2 Å²	73.2	43%	0.434	36%	0.358	S	S	.	.			trans	-126.7	127.4	169.9	-56.3	0	0	0	0	107.7	R126 K330	R126-S336 WeakPolarHBondContact CD-O 3.34Å; K330-S336 WeakPolarHBondContact CD-OG 3.49Å; K330-S336 PolarHBondContact NZ-OG 2.81Å; K330-S336 VanDerWaalsContact NZ-OG 3.13Å
337	L	97.1	Very high	97.7	Very high	45 Å²	45	72.8 Å²	72.8	24%	0.236	36%	0.36	C	S	.	.			trans	-102	140.1	-175.1	-58.8	177.6	0	0	0	109.9	L102 L329 V335 R339 L341	L102-L337 HydrophobicContact CB-CD2 4.18Å; L102-L337 HydrophobicContact CD1-CD2 4.18Å; L329-L337 HydrophobicContact CD1-CD1 3.67Å; L329-L337 HydrophobicContact CD1-CG 4.29Å; V335-L337 HydrophobicContact CG1-CD2 3.68Å; V335-L337 HydrophobicContact CG1-CG 4.1Å; L337-R339 WeakPolarHBondContact CB-O 3.45Å; L337-L341 HydrophobicContact CD1-CB 3.69Å; L337-L341 HydrophobicContact CD1-CD2 4.21Å; L337-L341 HydrophobicContact CD1-CG 4.37Å
338	E	93.6	Very high	97.7	Very high	127 Å²	127	71.3 Å²	71.3	59%	0.593	35%	0.351	S	S	*	.	S	Bend	trans	-81.7	-25.8	178.2	-66.9	178.1	-163.2	0	0	112.1	R124	R124-E338 WeakPolarHBondContact CD-OE1 3.49Å; R124-E338 IonicContact CZ-OE1 3Å; R124-E338 IonicContact NE-OE1 3.5Å; R124-E338 VanDerWaalsContact NH1-CD 3.34Å; R124-E338 IonicContact NH1-OE1 2.85Å; R124-E338 PolarHBondContact NH1-OE1 3.5Å; R124-E338 IonicContact NH1-OE2 2.82Å; R124-E338 PolarHBondContact NH1-OE2 3.16Å
339	R	96.3	Very high	97.6	Very high	134 Å²	134	73.5 Å²	73.5	51%	0.506	36%	0.359	S	S	.	.	S	Bend	trans	-122.7	155.3	179.6	-61.6	179.4	69.8	-169.2	-3.9	110.1	C106 G107 L337 L341	C106-R339 HydrophobicContact CB-CB 4.18Å; C106-R339 VanDerWaalsContact O-CZ 3.28Å; C106-R339 PolarHBondContact O-NE 3.47Å; C106-R339 PolarHBondContact O-NH1 3.3Å; G107-R339 PolarHBondContact O-NH1 2.9Å; L337-R339 WeakPolarHBondContact CB-O 3.45Å; R339-L341 PolarHBondContact O-N 3.38Å
340	K	96.4	Very high	97.6	Very high	152 Å²	152	73.7 Å²	73.7	66%	0.661	36%	0.36	S	S	*	.			trans	-62.5	123.6	178.7	-176.8	173.5	-178.8	176.9	0	109.9	E322	E322-K340 WeakPolarHBondContact OE2-CE 3.44Å; E322-K340 IonicContact OE2-NZ 2.81Å; E322-K340 PolarHBondContact OE2-NZ 3Å
341	L	98.3	Very high	97.6	Very high	18 Å²	18	69.3 Å²	69.3	9%	0.094	34%	0.341	C	S	.	.			trans	-69	137.8	169.9	-179.8	61.9	0	0	0	110.3	L102 H105 I325 L329 L337 R339 P343	L102-L341 HydrophobicContact CB-CD1 4.36Å; L102-L341 HydrophobicContact CD2-CD1 4.09Å; L102-L341 HydrophobicContact CD2-CD2 4.12Å; H105-L341 HydrophobicContact CB-CD1 3.54Å; I325-L341 HydrophobicContact CG2-CD2 3.97Å; L329-L341 HydrophobicContact CD1-CD2 3.99Å; L337-L341 HydrophobicContact CD1-CB 3.69Å; L337-L341 HydrophobicContact CD1-CD2 4.21Å; L337-L341 HydrophobicContact CD1-CG 4.37Å; R339-L341 PolarHBondContact O-N 3.38Å; L341-P343 HydrophobicContact CD2-CG 4.41Å; L341-P343 HydrophobicContact CG-CG 4.31Å; L341-P343 WeakPolarHBondContact O-CD 3.33Å
342	I	98.1	Very high	97.5	Very high	123 Å²	123	63.1 Å²	63.1	63%	0.631	31%	0.308	S	S	*	.			trans	-106.4	95.8	165.4	-56.2	176.5	0	0	0	107.3	H105 K344	H105-I342 PolarHBondContact O-N 3.46Å; I342-K344 PolarHBondContact O-N 3.42Å
343	P	98.1	Very high	97.5	Very high	34 Å²	34	63.8 Å²	63.8	22%	0.221	31%	0.31	C	S	.	.			trans	-60.4	135.9	-179.2	-20.3	31.9	0	0	0	110.8	S283 I325 L341	S283-P343 WeakPolarHBondContact OG-CA 3.49Å; I325-P343 HydrophobicContact CD1-CB 4.03Å; I325-P343 HydrophobicContact CD1-CG 3.48Å; I325-P343 VanDerWaalsContact CD1-CG 3.48Å; L341-P343 HydrophobicContact CD2-CG 4.41Å; L341-P343 HydrophobicContact CG-CG 4.31Å; L341-P343 WeakPolarHBondContact O-CD 3.33Å
344	K	98.4	Very high	97.4	Very high	98 Å²	98	67.1 Å²	67.1	43%	0.426	33%	0.326	S	S	.	.			trans	-135.4	132.3	-176.3	-162.5	-178.1	176.3	178.2	0	111.4	T280 S281 K282 S283 G298 I342	T280-K344 WeakPolarHBondContact O-CD 3.3Å; T280-K344 WeakPolarHBondContact O-CE 3.45Å; T280-K344 PolarHBondContact O-NZ 3.22Å; S281-K344 WeakPolarHBondContact O-CD 3.47Å; S281-K344 VanDerWaalsContact O-CG 3.29Å; S281-K344 WeakPolarHBondContact O-CG 3.5Å; K282-K344 CarbonylContact C-O 3.59Å; K282-K344 WeakPolarHBondContact CA-O 3.39Å; S283-K344 PolarHBondContact N-O 3.45Å; S283-K344 PolarHBondContact OG-N 3.29Å; S283-K344 PolarHBondContact OG-O 2.86Å; G298-K344 WeakPolarHBondContact CA-O 3.38Å; I342-K344 PolarHBondContact O-N 3.42Å
345	H	98.3	Very high	97.4	Very high	74 Å²	74	67.2 Å²	67.2	34%	0.343	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-127.3	75	173.7	-161	132.6	0	0	0	109.5	D241	D241-H345 VanDerWaalsContact CG-NE2 3.31Å; D241-H345 IonicContact OD1-CE1 2.73Å; D241-H345 PolarHBondContact OD1-CE1 2.83Å; D241-H345 IonicContact OD1-NE2 3.94Å; D241-H345 PolarHBondContact OD1-NE2 3.36Å; D241-H345 IonicContact OD2-CD2 3.42Å; D241-H345 IonicContact OD2-NE2 2.93Å; D241-H345 PolarHBondContact OD2-NE2 3.08Å
346	G	97.6	Very high	97.3	Very high	20 Å²	20	71 Å²	71	21%	0.206	34%	0.343	C	S	.	.			trans	-75.1	-173.9	175.8	0	0	0	0	0	113.2	S281 K282	S281-G346 VanDerWaalsContact O-CA 3.3Å; S281-G346 WeakPolarHBondContact O-CA 3.31Å; S281-G346 PolarHBondContact O-N 3.08Å; S281-G346 WeakPolarHBondContact OG-CA 3.36Å; K282-G346 WeakPolarHBondContact CE-O 3.5Å
347	D	96.6	Very high	97.3	Very high	141 Å²	141	71.6 Å²	71.6	75%	0.754	34%	0.338	S	S	*	.	S	Bend	trans	-90.9	-5	-170.3	64.2	-18.1	0	0	0	114.8	S281	S281-D347 PolarHBondContact OG-N 3.45Å
348	R	97.5	Very high	97.3	Very high	98 Å²	98	73.3 Å²	73.3	37%	0.37	34%	0.344	S	S	.	.	S	Bend	trans	-69.1	139	-179.8	-63.4	-66.4	-179.9	-168.2	-7.8	110.5	P275 V278 S281 K282 F350	P275-R348 PolarHBondContact O-NE 2.79Å; P275-R348 VanDerWaalsContact O-NE 3.08Å; P275-R348 PolarHBondContact O-NH2 2.7Å; V278-R348 HydrophobicContact CB-CB 4.21Å; V278-R348 HydrophobicContact CG2-CB 4.1Å; S281-R348 WeakPolarHBondContact OG-CB 3.29Å; S281-R348 VanDerWaalsContact OG-CG 3.31Å; S281-R348 WeakPolarHBondContact OG-CG 3.23Å; S281-R348 PolarHBondContact OG-N 3.39Å; K282-R348 VanDerWaalsContact CE-O 3.22Å; K282-R348 WeakPolarHBondContact CE-O 3.4Å; K282-R348 PolarHBondContact NZ-O 3.35Å; R348-F350 PolarHBondContact O-N 3.07Å
349	F	97.4	Very high	97.5	Very high	65 Å²	65	69.5 Å²	69.5	29%	0.285	33%	0.327	S	S	.	.			trans	-58.4	121.7	-179.2	178.6	-107.5	0	0	0	111.8	T158 P159 V278 T351	T158-F349 WeakPolarHBondContact OG1-CZ 3.43Å; P159-F349 VanDerWaalsContact CD-CG 3.5Å; P159-F349 HydrophobicContact CG-CB 3.89Å; P159-F349 HydrophobicContact CG-CD1 4.39Å; P159-F349 HydrophobicContact CG-CD2 3.54Å; P159-F349 HydrophobicContact CG-CE2 4.14Å; P159-F349 HydrophobicContact CG-CG 3.68Å; V278-F349 WeakPolarHBondContact CG2-O 3.44Å; F349-T351 HydrophobicContact CD2-CG2 4.48Å; F349-T351 HydrophobicContact CE2-CG2 3.74Å; F349-T351 HydrophobicContact CZ-CG2 4.03Å
350	F	98	Very high	97.6	Very high	10 Å²	10	64.5 Å²	64.5	4%	0.044	31%	0.313	C	S	.	.			trans	-160.9	123	177.4	-172.2	-92.3	0	0	0	108.6	F99 R189 V278 K282 F284 V297 R348	F99-F350 HydrophobicContact CE1-CE2 4.4Å; F99-F350 HydrophobicContact CE1-CZ 4.35Å; R189-F350 HydrophobicContact CG-CE1 4.49Å; R189-F350 HydrophobicContact CG-CZ 4.44Å; V278-F350 HydrophobicContact CG2-CB 3.68Å; V278-F350 HydrophobicContact CG2-CD2 3.75Å; V278-F350 HydrophobicContact CG2-CG 4.11Å; K282-F350 HydrophobicContact CD-CB 3.59Å; K282-F350 HydrophobicContact CD-CD1 4.48Å; K282-F350 HydrophobicContact CD-CG 4.27Å; K282-F350 PolarHBondContact NZ-O 3.22Å; F284-F350 HydrophobicContact CB-CE1 4.27Å; F284-F350 HydrophobicContact CB-CZ 4.2Å; F284-F350 HydrophobicContact CD1-CD2 4.44Å; F284-F350 HydrophobicContact CD1-CE1 4.16Å; F284-F350 AromaticContact CD1-CE2 3.78Å; F284-F350 HydrophobicContact CD1-CE2 3.78Å; F284-F350 AromaticContact CD1-CZ 3.59Å; F284-F350 HydrophobicContact CD1-CZ 3.59Å; F284-F350 AromaticContact CD2-CZ 3.96Å; F284-F350 HydrophobicContact CD2-CZ 3.96Å; F284-F350 HydrophobicContact CE1-CD2 4.29Å; F284-F350 AromaticContact CE1-CE2 3.62Å; F284-F350 HydrophobicContact CE1-CE2 3.62Å; F284-F350 AromaticContact CE1-CZ 3.89Å; F284-F350 HydrophobicContact CE1-CZ 3.89Å; F284-F350 HydrophobicContact CE2-CE2 4.44Å; F284-F350 HydrophobicContact CE2-CZ 4.28Å; F284-F350 HydrophobicContact CG-CE1 4.15Å; F284-F350 HydrophobicContact CG-CE2 4.23Å; F284-F350 AromaticContact CG-CZ 3.62Å; F284-F350 HydrophobicContact CG-CZ 3.62Å; F284-F350 AromaticContact CZ-CE2 3.96Å; F284-F350 HydrophobicContact CZ-CE2 3.96Å; F284-F350 HydrophobicContact CZ-CZ 4.21Å; V297-F350 HydrophobicContact CG1-CD1 4.45Å; V297-F350 HydrophobicContact CG2-CD1 4.1Å; V297-F350 HydrophobicContact CG2-CE1 3.72Å; R348-F350 PolarHBondContact O-N 3.07Å
351	T	98.4	Very high	97.7	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.018	28%	0.284	C	S	.	.			trans	-125.4	161.5	-175.8	42.6	0	0	0	0	111.1	R189 Y191 L242 L243 E244 R249 F349	R189-T351 PolarHBondContact NE-O 3.23Å; Y191-T351 WeakPolarHBondContact CE2-O 3.32Å; Y191-T351 PolarHBondContact OH-OG1 3.09Å; L242-T351 CarbonylContact O-C 3.36Å; L242-T351 WeakPolarHBondContact O-CA 3.09Å; L242-T351 VanDerWaalsContact O-CB 3.23Å; L242-T351 WeakPolarHBondContact O-CB 3.49Å; L242-T351 WeakPolarHBondContact O-CG2 3.37Å; L243-T351 WeakPolarHBondContact O-CG2 3.44Å; E244-T351 HydrophobicContact CB-CG2 4.25Å; R249-T351 PolarHBondContact NH1-OG1 3.23Å; F349-T351 HydrophobicContact CD2-CG2 4.48Å; F349-T351 HydrophobicContact CE2-CG2 3.74Å; F349-T351 HydrophobicContact CZ-CG2 4.03Å
352	I	96	Very high	97.7	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.015	30%	0.301	C	S	.	.			trans	-112	0	-171	63.9	170.4	0	0	0	115.5	R189 S190 R227 L242 C295 V297 T302 R304 I315 F317	R189-I352 WeakPolarHBondContact CB-OXT 3.09Å; R189-I352 HydrophobicContact CG-CG2 4.39Å; S190-I352 WeakPolarHBondContact CB-OXT 3.38Å; S190-I352 PolarHBondContact N-OXT 3.31Å; S190-I352 PolarHBondContact OG-O 3.35Å; S190-I352 PolarHBondContact OG-OXT 2.99Å; R227-I352 PolarHBondContact NH2-O 2.86Å; R227-I352 VanDerWaalsContact NH2-O 3.12Å; L242-I352 HydrophobicContact CB-CD1 4.29Å; L242-I352 HydrophobicContact CB-CG1 4.14Å; L242-I352 HydrophobicContact CB-CG2 4.25Å; L242-I352 WeakPolarHBondContact O-CG1 3.25Å; L242-I352 PolarHBondContact O-N 3.03Å; C295-I352 HydrophobicContact CB-CG2 4.2Å; V297-I352 HydrophobicContact CG2-CG2 4.13Å; T302-I352 HydrophobicContact CG2-CD1 3.46Å; T302-I352 VanDerWaalsContact CG2-CD1 3.46Å; T302-I352 WeakPolarHBondContact OG1-CD1 3.26Å; R304-I352 PolarHBondContact NH2-O 3.12Å; I315-I352 HydrophobicContact CG2-CD1 4.22Å; F317-I352 HydrophobicContact CE1-CD1 4.14Å; F317-I352 HydrophobicContact CZ-CD1 3.88Å

Retrieved 352 of 352 residues in 497.7 ms (Link to these results)

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