OGT1_HUMAN Loading...

Isoform 2 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit

The mitochondrial isoform (mOGT) is cytotoxic and triggers apoptosis in several cell types including INS1, an insulinoma cell line.

AlphaFold DB (Q548W1), UniProt , Accession O15294-2 (canonical: O15294), Species HUMAN (Homo sapiens, Human), Gene OGT, Length 920 aa.

						>OGT1_HUMAN|O15294-2|OGT
MLQGHFWLVREGIMISPSSPPPPNLFFFPLQIFPFPFTSFPSHLLSLTPPKACYLKAIETQPNFAVAWSNLGCVFNAQGEIWLAIHHFEKAVTLDPNFLDAYINLGNVLKEARIFDRAVAAYLRALSLSPNHAVVHGNLACVYYEQGLIDLAIDTYRRAIELQPHFPDAYCNLANALKEKGSVAEAEDCYNTALRLCPTHADSLNNLANIKREQGNIEEAVRLYRKALEVFPEFAAAHSNLASVLQQQGKLQEALMHYKEAIRISPTFADAYSNMGNTLKEMQDVQGALQCYTRAIQINPAFADAHSNLASIHKDSGNIPEAIASYRTALKLKPDFPDAYCNLAHCLQIVCDWTDYDERMKKLVSIVADQLEKNRLPSVHPHHSMLYPLSHGFRKAIAERHGNLCLDKINVLHKPPYEHPKDLKLSDGRLRVGYVSSDFGNHPTSHLMQSIPGMHNPDKFEVFCYALSPDDGTNFRVKVMAEANHFIDLSQIPCNGKAADRIHQDGIHILVNMNGYTKGARNELFALRPAPIQAMWLGYPGTSGALFMDYIITDQETSPAEVAEQYSEKLAYMPHTFFIGDHANMFPHLKKKAVIDFKSNGHIYDNRIVLNGIDLKAFLDSLPDVKIVKMKCPDGGDNADSSNTALNMPVIPMNTIAEAVIEMINRGQIQITINGFSISNGLATTQINNKAATGEEVPRTIIVTTRSQYGLPEDAIVYCNFNQLYKIDPSTLQMWANILKRVPNSVLWLLRFPAVGEPNIQQYAQNMGLPQNRIIFSPVAPKEEHVRRGQLADVCLDTPLCNGHTTGMDVLWAGTPMVTMPGETLASRVAASQLTCLGCLELIAKNRQEYEDIAVKLGTDLEYLKKVRGKVWKQRISSPLFNTKQYTMELERLYLQMWEHYAAGNKPDHMIKPVEVTESA
					

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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	27.2	Very low	21.5	Very low	243 Å²	243	174 Å²	174	100%	1.197	84%	0.835	S	S	*	*				0	114.1	0	-74.9	-174.2	-111.9	0	0	106.6
2	L	23.3	Very low	21.4	Very low	152 Å²	152	165.1 Å²	165.1	80%	0.796	82%	0.823	S	S	*	*			cis	-142.2	126.2	4.5	-93.4	131.6	0	0	0	104.7
3	Q	21.3	Very low	21.4	Very low	189 Å²	189	164.5 Å²	164.5	88%	0.883	82%	0.822	S	S	*	*				32.3	126	105.7	-72.6	-176	-14.5	0	0	114
4	G	21.6	Very low	21.4	Very low	63 Å²	63	166 Å²	166	65%	0.649	83%	0.828	S	S	*	*			cis	151	149	11.9	0	0	0	0	0	107.3
5	H	22.4	Very low	21.4	Very low	193 Å²	193	164.9 Å²	164.9	89%	0.894	83%	0.825	S	S	*	*			trans	-171.7	114.4	141.9	-97.3	-59.1	0	0	0	109.9
6	F	19.8	Very low	21.5	Very low	174 Å²	174	160.7 Å²	160.7	76%	0.763	82%	0.815	S	S	*	*			trans	-86.7	144.1	162.4	-108.4	-93	0	0	0	108.8	L8	F6-L8 HydrophobicContact CD1-CD1 4.12Å; F6-L8 HydrophobicContact CE1-CD1 4.3Å
7	W	21.1	Very low	21.7	Very low	246 Å²	246	158.5 Å²	158.5	93%	0.932	82%	0.815	S	S	*	*			trans	-144.6	146.1	136.1	-96.1	96.5	0	0	0	109.9
8	L	18.7	Very low	21.8	Very low	123 Å²	123	155.3 Å²	155.3	64%	0.644	81%	0.808	S	S	*	*			trans	-115.3	134.6	-164	-122.6	145	0	0	0	104.9	F6	F6-L8 HydrophobicContact CD1-CD1 4.12Å; F6-L8 HydrophobicContact CE1-CD1 4.3Å
9	V	21	Very low	21.7	Very low	111 Å²	111	152.7 Å²	152.7	67%	0.673	81%	0.805	S	S	*	*				147.7	121.4	104.8	169	0	0	0	0	109.3
10	R	19.9	Very low	21.7	Very low	230 Å²	230	151.2 Å²	151.2	87%	0.868	81%	0.805	S	S	*	*				151	142.1	106	-124.5	161.6	-159.5	-160.2	2.4	114.6
11	E	20.3	Very low	21.7	Very low	190 Å²	190	148.7 Å²	148.7	89%	0.888	80%	0.797	S	S	*	*			trans	-43.7	152.7	-179.5	-60.4	173.7	154	0	0	118.6
12	G	20.5	Very low	21.4	Very low	67 Å²	67	141.5 Å²	141.5	69%	0.691	77%	0.768	S	S	*	*				142.3	110.1	129.1	0	0	0	0	0	117.1
13	I	20.8	Very low	21.3	Very low	158 Å²	158	137.9 Å²	137.9	81%	0.81	75%	0.754	S	S	*	*			trans	100.8	99.1	151.9	-53.1	168	0	0	0	116.3	I15	I13-I15 HydrophobicContact CG2-CG1 4.09Å
14	M	21.9	Very low	21.4	Very low	185 Å²	185	136.6 Å²	136.6	91%	0.911	75%	0.753	S	S	*	*			trans	-67.4	130.4	156.8	-74.8	-157.2	-73.2	0	0	110.5
15	I	20.7	Very low	21.6	Very low	150 Å²	150	137.8 Å²	137.8	77%	0.769	74%	0.744	S	S	*	*			trans	-132.5	114.7	151.2	-60	179.9	0	0	0	106.8	I13	I13-I15 HydrophobicContact CG2-CG1 4.09Å
16	S	23.7	Very low	21.9	Very low	97 Å²	97	131.9 Å²	131.9	68%	0.678	72%	0.716	S	S	*	*			trans	-72.7	150.1	166.9	117.9	0	0	0	0	109.4	S18	S16-S18 PolarHBondContact OG-N 2.88Å
17	P	25.2	Very low	22.2	Very low	124 Å²	124	131.7 Å²	131.7	81%	0.805	72%	0.715	S	S	*	*			trans	-125.9	115.5	132.2	19.9	-2.1	0	0	0	111.1
18	S	22.3	Very low	22.9	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	68%	0.682	S	S	*	*			trans	-52.3	130	155.2	43.9	0	0	0	0	112.5	S16	S16-S18 PolarHBondContact OG-N 2.88Å
19	S	21	Very low	23.6	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	69%	0.687	S	S	*	*			trans	139.2	112.8	149.7	-64.2	0	0	0	0	110.8
20	P	21.2	Very low	24.6	Very low	122 Å²	122	117.5 Å²	117.5	79%	0.792	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-76.3	141.5	171.1	30.4	-30.2	0	0	0	110.6
21	P	22	Very low	25.7	Very low	99 Å²	99	110.8 Å²	110.8	64%	0.643	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-72.6	156.7	171.7	31.2	-32.1	0	0	0	110.7
22	P	20.3	Very low	27	Very low	92 Å²	92	104.9 Å²	104.9	60%	0.597	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-64.6	142.8	-178.7	25.1	-32	0	0	0	112	N24 L25	P22-N24 PolarHBondContact O-N 3.45Å; P22-N24 VanDerWaalsContact O-N 3.16Å; P22-L25 HydrophobicContact CG-CD1 4Å
23	P	22.3	Very low	28.5	Very low	75 Å²	75	101.9 Å²	101.9	49%	0.487	58%	0.578	S	S	.	*	S	Bend	trans	-86.7	87.4	-177.9	33.1	-29.1	0	0	0	109.6	K333	P23-K333 HydrophobicContact CG-CD 4.45Å
24	N	23.6	Very low	29.6	Very low	162 Å²	162	99 Å²	99	87%	0.866	57%	0.57	S	S	*	*			trans	171.6	44.6	156.8	-89.3	-15.5	0	0	0	111.1	P22	P22-N24 PolarHBondContact O-N 3.45Å; P22-N24 VanDerWaalsContact O-N 3.16Å
25	L	25.1	Very low	30.3	Very low	88 Å²	88	94.2 Å²	94.2	46%	0.461	54%	0.544	S	S	.	.			trans	-118	107.5	173.4	-73.4	164.7	0	0	0	107.8	P22 F27	P22-L25 HydrophobicContact CG-CD1 4Å; L25-F27 PolarHBondContact O-N 2.91Å; L25-F27 VanDerWaalsContact O-N 3.1Å
26	F	29.3	Very low	30.7	Very low	70 Å²	70	92.4 Å²	92.4	31%	0.307	54%	0.542	S	S	.	.			trans	-52.1	117.8	155.5	-76	-85.9	0	0	0	106.2	F28 N240	F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 HydrophobicContact CB-CD2 4.37Å; F26-F28 HydrophobicContact CB-CE1 4.3Å; F26-F28 HydrophobicContact CB-CE2 3.88Å; F26-F28 HydrophobicContact CB-CZ 3.84Å; F26-F28 WeakPolarHBondContact O-CD2 3.31Å; F26-F28 PolarHBondContact O-N 3.39Å; F26-N240 VanDerWaalsContact CZ-OD1 3.29Å; F26-N240 WeakPolarHBondContact CZ-OD1 3.23Å
27	F	26.4	Very low	30.9	Very low	170 Å²	170	95.6 Å²	95.6	75%	0.746	54%	0.544	S	S	*	.			trans	-63	100.3	167.9	-100.6	-86.8	0	0	0	106.7	L25 P29	L25-F27 PolarHBondContact O-N 2.91Å; L25-F27 VanDerWaalsContact O-N 3.1Å; F27-P29 WeakPolarHBondContact O-CD 3.35Å
28	F	36	Very low	30.9	Very low	53 Å²	53	96 Å²	96	23%	0.232	54%	0.544	C	S	.	.			trans	-79.6	118.2	171.2	-66.6	-76.9	0	0	0	107.5	F26 L30 N206	F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 HydrophobicContact CB-CD2 4.37Å; F26-F28 HydrophobicContact CB-CE1 4.3Å; F26-F28 HydrophobicContact CB-CE2 3.88Å; F26-F28 HydrophobicContact CB-CZ 3.84Å; F26-F28 WeakPolarHBondContact O-CD2 3.31Å; F26-F28 PolarHBondContact O-N 3.39Å; F28-L30 PolarHBondContact O-N 2.72Å; F28-N206 WeakPolarHBondContact CE1-OD1 3.41Å
29	P	33	Very low	31	Very low	115 Å²	115	96.2 Å²	96.2	75%	0.747	55%	0.546	S	S	*	.			trans	-64.6	106.9	165.5	25.8	-28.9	0	0	0	107.5	F27 Q31	F27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-Q31 PolarHBondContact O-N 2.81Å
30	L	40.5	Very low	31.3	Very low	14 Å²	14	100.4 Å²	100.4	7%	0.073	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-64.1	128.7	171.2	-73.7	174.2	0	0	0	108.6	F28 I32 C141 Y144 N172	F28-L30 PolarHBondContact O-N 2.72Å; L30-I32 PolarHBondContact O-N 3.15Å; L30-C141 HydrophobicContact CD1-CB 3.91Å; L30-Y144 HydrophobicContact CD1-CD1 3.38Å; L30-Y144 HydrophobicContact CD1-CE1 4.02Å; L30-Y144 HydrophobicContact CD1-CG 3.98Å; L30-Y144 HydrophobicContact CG-CD1 4.25Å; L30-Y144 HydrophobicContact CG-CE1 4.42Å; L30-N172 HydrophobicContact CD2-CB 4.09Å; L30-N172 WeakPolarHBondContact CD2-OD1 3.43Å
31	Q	44.1	Very low	31.5	Very low	89 Å²	89	99.7 Å²	99.7	42%	0.416	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-66	123.5	179.1	-148.8	171.1	4.6	0	0	109.3	P29	P29-Q31 PolarHBondContact O-N 2.81Å
32	I	46.9	Very low	31.9	Very low	66 Å²	66	100.6 Å²	100.6	34%	0.338	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-70.3	129.4	168.5	-62.1	172.9	0	0	0	106.1	L30 P34	L30-I32 PolarHBondContact O-N 3.15Å; I32-P34 WeakPolarHBondContact O-CD 3.32Å
33	F	52.7	Low	32.4	Very low	3 Å²	3	104.8 Å²	104.8	1%	0.013	57%	0.566	C	S	.	*			trans	-70.5	109.4	175.6	-62.7	-64.1	0	0	0	109.1	V134 N138 F166 D168 A169	F33-V134 HydrophobicContact CB-CG1 3.7Å; F33-N138 WeakPolarHBondContact CD2-OD1 3.44Å; F33-N138 PolarHBondContact N-OD1 3.1Å; F33-N138 VanDerWaalsContact N-OD1 3.17Å; F33-F166 HydrophobicContact CB-CZ 4.2Å; F33-F166 HydrophobicContact CD1-CD2 4.3Å; F33-F166 HydrophobicContact CD1-CE1 4.31Å; F33-F166 AromaticContact CD1-CE2 3.13Å; F33-F166 HydrophobicContact CD1-CE2 3.13Å; F33-F166 AromaticContact CD1-CZ 3.13Å; F33-F166 HydrophobicContact CD1-CZ 3.13Å; F33-F166 AromaticContact CD2-CZ 3.87Å; F33-F166 HydrophobicContact CD2-CZ 3.87Å; F33-F166 AromaticContact CE1-CD2 3.92Å; F33-F166 HydrophobicContact CE1-CD2 3.92Å; F33-F166 HydrophobicContact CE1-CE1 4.07Å; F33-F166 AromaticContact CE1-CE2 3.09Å; F33-F166 HydrophobicContact CE1-CE2 3.09Å; F33-F166 AromaticContact CE1-CZ 3.18Å; F33-F166 HydrophobicContact CE1-CZ 3.18Å; F33-F166 HydrophobicContact CE2-CE1 4.43Å; F33-F166 HydrophobicContact CE2-CZ 4.01Å; F33-F166 AromaticContact CG-CE2 3.95Å; F33-F166 HydrophobicContact CG-CE2 3.95Å; F33-F166 AromaticContact CG-CZ 3.47Å; F33-F166 HydrophobicContact CG-CZ 3.47Å; F33-F166 VanDerWaalsContact CG-CZ 3.47Å; F33-F166 HydrophobicContact CZ-CE1 4.17Å; F33-F166 AromaticContact CZ-CE2 3.98Å; F33-F166 HydrophobicContact CZ-CE2 3.98Å; F33-F166 AromaticContact CZ-CZ 3.67Å; F33-F166 HydrophobicContact CZ-CZ 3.67Å; F33-D168 HydrophobicContact CD1-CB 4.22Å; F33-D168 WeakPolarHBondContact CD1-OD2 3.48Å; F33-D168 HydrophobicContact CE1-CB 3.5Å; F33-D168 VanDerWaalsContact CE1-CB 3.5Å; F33-D168 WeakPolarHBondContact CE1-OD2 3.29Å; F33-D168 HydrophobicContact CZ-CB 4.32Å; F33-A169 HydrophobicContact CE1-CB 4.45Å; F33-A169 HydrophobicContact CZ-CB 3.97Å
34	P	43.4	Very low	32.8	Very low	97 Å²	97	106.6 Å²	106.6	63%	0.63	57%	0.571	S	S	*	*			trans	-75.2	142.4	178.1	31.8	-29.5	0	0	0	109.3	I32	I32-P34 WeakPolarHBondContact O-CD 3.32Å
35	F	37.2	Very low	33.4	Very low	86 Å²	86	108 Å²	108	38%	0.377	58%	0.577	S	S	.	*			trans	-69.5	145.2	167.7	-136.8	-95.8	0	0	0	109	F37 I103 H132	F35-F37 VanDerWaalsContact C-N 3.33Å; F35-F37 PolarHBondContact O-N 3Å; F35-I103 HydrophobicContact CE2-CD1 4.29Å; F35-H132 AromaticContact CE2-CE1 3.8Å; F35-H132 AromaticContact CE2-NE2 3.61Å
36	P	28	Very low	34	Very low	111 Å²	111	106.8 Å²	106.8	72%	0.721	58%	0.577	S	S	*	*			trans	-62.9	101.5	162.6	26.2	-30.7	0	0	0	107.4	T38	P36-T38 PolarHBondContact O-N 3.12Å
37	F	29.6	Very low	34.9	Very low	165 Å²	165	107.3 Å²	107.3	72%	0.724	58%	0.582	S	S	*	*			trans	-55.2	130.4	163.5	-80	-86.4	0	0	0	107.2	F35 S39	F35-F37 VanDerWaalsContact C-N 3.33Å; F35-F37 PolarHBondContact O-N 3Å; F37-S39 PolarHBondContact O-N 3.35Å
38	T	25.1	Very low	35.9	Very low	131 Å²	131	104.4 Å²	104.4	80%	0.804	58%	0.579	S	S	*	*			trans	-51.6	110.6	153.5	44.4	0	0	0	0	106.6	P36 F40	P36-T38 PolarHBondContact O-N 3.12Å; T38-F40 PolarHBondContact O-N 3.2Å
39	S	23.5	Very low	36.9	Very low	106 Å²	106	105 Å²	105	74%	0.741	59%	0.588	S	S	*	*			trans	-44.1	125	-174.6	53.7	0	0	0	0	112.7	F37	F37-S39 PolarHBondContact O-N 3.35Å
40	F	26.4	Very low	38.3	Very low	194 Å²	194	101.4 Å²	101.4	85%	0.851	56%	0.564	S	S	*	*			trans	-118.8	133.4	146.1	-90.5	-81.8	0	0	0	108.4	T38	T38-F40 PolarHBondContact O-N 3.2Å
41	P	26.5	Very low	40	Very low	108 Å²	108	103.7 Å²	103.7	70%	0.701	57%	0.574	S	S	*	*			trans	-67.4	147.2	-172.1	15.5	-15.8	0	0	0	112.7	H43	P41-H43 PolarHBondContact O-N 2.75Å
42	S	29.6	Very low	41.5	Very low	117 Å²	117	102.1 Å²	102.1	82%	0.818	58%	0.576	S	S	*	*	S	Bend	trans	-70.5	48.4	-175.2	50.3	0	0	0	0	115.1
43	H	30.5	Very low	43.1	Very low	181 Å²	181	102.9 Å²	102.9	84%	0.838	59%	0.586	S	S	*	*			trans	-129	29.8	176.8	-95.1	-42.8	0	0	0	115.1	P41	P41-H43 PolarHBondContact O-N 2.75Å
44	L	32.1	Very low	44.7	Very low	113 Å²	113	106.2 Å²	106.2	59%	0.592	60%	0.599	S	S	*	*			trans	-127	65.4	174.2	-91.5	150.5	0	0	0	111.7	S46	L44-S46 PolarHBondContact O-N 3.26Å
45	L	35.3	Very low	46.6	Very low	190 Å²	190	105 Å²	105	100%	0.995	59%	0.587	S	S	*	*			trans	-75.4	34.5	163.9	-95.8	155.8	0	0	0	112.3
46	S	38.7	Very low	48.8	Very low	64 Å²	64	106.7 Å²	106.7	45%	0.448	59%	0.594	S	S	.	*			trans	-137.3	85.9	165.8	71.3	0	0	0	0	108.9	L44 T48 P49	L44-S46 PolarHBondContact O-N 3.26Å; S46-T48 PolarHBondContact O-N 2.86Å; S46-P49 WeakPolarHBondContact O-CD 3.39Å
47	L	46.8	Very low	51.4	Low	81 Å²	81	102.8 Å²	102.8	42%	0.424	57%	0.572	S	S	.	*			trans	-77.7	34.8	-176.1	-79.2	166.1	0	0	0	114.4	P50	L47-P50 HydrophobicContact CD2-CG 4.17Å
48	T	49	Very low	54.2	Low	109 Å²	109	95.8 Å²	95.8	67%	0.669	54%	0.541	S	S	*	.	S	Bend	trans	-80.7	-35.3	170.3	28.8	0	0	0	0	114	S46 A52	S46-T48 PolarHBondContact O-N 2.86Å; T48-A52 VanDerWaalsContact O-CB 3.29Å; T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 3.41Å
49	P	56.4	Low	57.1	Low	65 Å²	65	95.8 Å²	95.8	42%	0.422	53%	0.532	S	S	.	.	H	α-helix	trans	-71.1	-49.7	-179.2	-14.4	26.1	0	0	0	115.4	S46 A52 C53	S46-P49 WeakPolarHBondContact O-CD 3.39Å; P49-A52 PolarHBondContact O-N 3.12Å; P49-C53 WeakPolarHBondContact O-CB 3.31Å; P49-C53 PolarHBondContact O-N 3.09Å; P49-C53 PolarHBondContact O-SG 3.27Å
50	P	62.4	Low	60	Low	39 Å²	39	95.9 Å²	95.9	25%	0.253	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-42.4	-171.9	-19.1	30.9	0	0	0	113.1	L47 A52 C53 Y54	L47-P50 HydrophobicContact CD2-CG 4.17Å; P50-A52 PolarHBondContact O-N 3.24Å; P50-C53 PolarHBondContact O-N 2.83Å; P50-Y54 HydrophobicContact CB-CE2 4.06Å; P50-Y54 WeakPolarHBondContact O-CD2 3.42Å; P50-Y54 PolarHBondContact O-N 3.44Å
51	K	76.4	Confident	62.9	Low	62 Å²	62	92.1 Å²	92.1	27%	0.27	51%	0.514	S	S	.	.	H	α-helix	trans	-60.7	-46	177.1	-176.3	172.6	-178.9	173	0	111.2	C53 Y54 L55 L71 V74	K51-C53 VanDerWaalsContact C-N 3.34Å; K51-C53 PolarHBondContact O-N 3.3Å; K51-Y54 PolarHBondContact O-N 3.43Å; K51-L55 HydrophobicContact CG-CD1 3.99Å; K51-L55 WeakPolarHBondContact O-CB 3.37Å; K51-L55 VanDerWaalsContact O-CG 3.26Å; K51-L55 WeakPolarHBondContact O-CG 3.26Å; K51-L55 PolarHBondContact O-N 3.02Å; K51-L71 HydrophobicContact CG-CD1 3.97Å; K51-V74 HydrophobicContact CB-CG1 4.31Å
52	A	75.9	Confident	65.8	Low	57 Å²	57	90.7 Å²	90.7	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-38.7	177	0	0	0	0	0	112	T48 P49 P50 K56	T48-A52 VanDerWaalsContact O-CB 3.29Å; T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 3.41Å; P49-A52 PolarHBondContact O-N 3.12Å; P50-A52 PolarHBondContact O-N 3.24Å; A52-K56 VanDerWaalsContact O-CB 3.3Å; A52-K56 WeakPolarHBondContact O-CB 3.5Å; A52-K56 PolarHBondContact O-N 3.35Å
53	C	79.7	Confident	68.6	Low	82 Å²	82	90.9 Å²	90.9	55%	0.554	50%	0.496	S	S	*	.	H	α-helix	trans	-65	-44.8	175.9	-70.2	0	0	0	0	112.8	P49 P50 K51 K56 A57	P49-C53 WeakPolarHBondContact O-CB 3.31Å; P49-C53 PolarHBondContact O-N 3.09Å; P49-C53 PolarHBondContact O-SG 3.27Å; P50-C53 PolarHBondContact O-N 2.83Å; K51-C53 VanDerWaalsContact C-N 3.34Å; K51-C53 PolarHBondContact O-N 3.3Å; C53-K56 PolarHBondContact O-N 3.34Å; C53-A57 WeakPolarHBondContact O-CB 3.22Å; C53-A57 PolarHBondContact O-N 3.04Å
54	Y	85.3	Confident	71.4	Confident	73 Å²	73	86.2 Å²	86.2	29%	0.286	47%	0.474	S	S	.	.	H	α-helix	trans	-69.2	-39.8	177.7	-60	-49.5	0	0	0	112.2	P50 K51 K56 A57 I58 A67 N70 V74	P50-Y54 HydrophobicContact CB-CE2 4.06Å; P50-Y54 WeakPolarHBondContact O-CD2 3.42Å; P50-Y54 PolarHBondContact O-N 3.44Å; K51-Y54 PolarHBondContact O-N 3.43Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 2.81Å; Y54-A57 PolarHBondContact O-N 3.38Å; Y54-I58 VanDerWaalsContact O-CG1 3.27Å; Y54-I58 WeakPolarHBondContact O-CG1 3.37Å; Y54-I58 PolarHBondContact O-N 3.29Å; Y54-A67 HydrophobicContact CD1-CB 4.47Å; Y54-N70 HydrophobicContact CD1-CB 4.07Å; Y54-N70 HydrophobicContact CD2-CB 4.2Å; Y54-N70 HydrophobicContact CE1-CB 3.74Å; Y54-N70 HydrophobicContact CE2-CB 3.88Å; Y54-N70 HydrophobicContact CG-CB 4.31Å; Y54-V74 HydrophobicContact CD2-CG2 4.29Å; Y54-V74 HydrophobicContact CE2-CG2 4.17Å
55	L	84.5	Confident	74	Confident	72 Å²	72	81.3 Å²	81.3	38%	0.377	45%	0.449	S	S	.	.	H	α-helix	trans	-60.1	-43	172.3	-73.8	170.3	0	0	0	111.2	K51 A57 I58 E59 L71	K51-L55 HydrophobicContact CG-CD1 3.99Å; K51-L55 WeakPolarHBondContact O-CB 3.37Å; K51-L55 VanDerWaalsContact O-CG 3.26Å; K51-L55 WeakPolarHBondContact O-CG 3.26Å; K51-L55 PolarHBondContact O-N 3.02Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 3.28Å; L55-I58 PolarHBondContact O-N 2.77Å; L55-E59 WeakPolarHBondContact O-CG 3.39Å; L55-E59 PolarHBondContact O-N 3.04Å; L55-L71 HydrophobicContact CD2-CD2 3.63Å; L55-L71 HydrophobicContact CG-CD2 4.11Å
56	K	83.3	Confident	76.6	Confident	121 Å²	121	75.2 Å²	75.2	53%	0.526	42%	0.42	S	S	.	.	H	α-helix	trans	-67.6	-35.8	177.4	-166.5	60.9	-177.9	175.3	0	112.8	A52 C53 Y54 E59 T60	A52-K56 VanDerWaalsContact O-CB 3.3Å; A52-K56 WeakPolarHBondContact O-CB 3.5Å; A52-K56 PolarHBondContact O-N 3.35Å; C53-K56 PolarHBondContact O-N 3.34Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 2.81Å; K56-E59 VanDerWaalsContact CD-OE2 3.27Å; K56-E59 WeakPolarHBondContact CD-OE2 3.34Å; K56-E59 IonicContact NZ-OE2 2.79Å; K56-E59 PolarHBondContact NZ-OE2 3.08Å; K56-E59 PolarHBondContact O-N 3.25Å; K56-T60 WeakPolarHBondContact O-CB 3.43Å; K56-T60 PolarHBondContact O-N 3.49Å; K56-T60 PolarHBondContact O-OG1 3.32Å
57	A	81.8	Confident	78.8	Confident	29 Å²	29	72.1 Å²	72.1	24%	0.24	40%	0.398	C	S	.	.	H	α-helix	trans	-64.6	-40.4	174.1	0	0	0	0	0	111.5	C53 Y54 L55 T60 Q61 F64 A67	C53-A57 WeakPolarHBondContact O-CB 3.22Å; C53-A57 PolarHBondContact O-N 3.04Å; Y54-A57 PolarHBondContact O-N 3.38Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 3.28Å; A57-T60 PolarHBondContact O-N 3.16Å; A57-Q61 PolarHBondContact O-N 3.39Å; A57-F64 HydrophobicContact CB-CD1 4.08Å; A57-F64 HydrophobicContact CB-CE1 4.35Å; A57-A67 HydrophobicContact CB-CB 4.01Å
58	I	88	Confident	80.8	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.092	39%	0.386	C	S	.	.	H	α-helix	trans	-67.8	-41.5	174.5	-68.4	165.4	0	0	0	111.5	Y54 L55 T60 Q61 P62 A67 W68 L71	Y54-I58 VanDerWaalsContact O-CG1 3.27Å; Y54-I58 WeakPolarHBondContact O-CG1 3.37Å; Y54-I58 PolarHBondContact O-N 3.29Å; L55-I58 PolarHBondContact O-N 2.77Å; I58-T60 VanDerWaalsContact C-N 3.29Å; I58-T60 PolarHBondContact O-N 3.21Å; I58-Q61 CarbonylContact O-C 3.24Å; I58-Q61 VanDerWaalsContact O-C 3.24Å; I58-P62 WeakPolarHBondContact O-CA 3.36Å; I58-P62 WeakPolarHBondContact O-CD 3.45Å; I58-A67 HydrophobicContact CD1-CB 4.42Å; I58-A67 HydrophobicContact CG1-CB 3.87Å; I58-W68 HydrophobicContact CB-CZ2 4.47Å; I58-W68 HydrophobicContact CD1-CD2 3.71Å; I58-W68 HydrophobicContact CD1-CE3 4Å; I58-W68 HydrophobicContact CD1-CG 4.02Å; I58-W68 HydrophobicContact CD1-CZ2 4.38Å; I58-W68 HydrophobicContact CD1-CZ3 4.41Å; I58-W68 HydrophobicContact CG1-CD2 4.14Å; I58-W68 HydrophobicContact CG1-CG 4.24Å; I58-W68 HydrophobicContact CG1-CZ2 4.45Å; I58-W68 HydrophobicContact CG2-CD2 4.42Å; I58-W68 HydrophobicContact CG2-CH2 3.89Å; I58-W68 HydrophobicContact CG2-CZ2 3.24Å; I58-L71 HydrophobicContact CD1-CB 4.5Å; I58-L71 HydrophobicContact CD1-CD2 3.65Å
59	E	85.8	Confident	82.7	Confident	130 Å²	130	65.3 Å²	65.3	61%	0.607	36%	0.355	S	S	*	.	H	α-helix	trans	-60.2	-40.1	174.6	-79.2	179.1	-172.8	0	0	112.1	L55 K56	L55-E59 WeakPolarHBondContact O-CG 3.39Å; L55-E59 PolarHBondContact O-N 3.04Å; K56-E59 VanDerWaalsContact CD-OE2 3.27Å; K56-E59 WeakPolarHBondContact CD-OE2 3.34Å; K56-E59 IonicContact NZ-OE2 2.79Å; K56-E59 PolarHBondContact NZ-OE2 3.08Å; K56-E59 PolarHBondContact O-N 3.25Å
60	T	85	Confident	84.2	Confident	108 Å²	108	64.8 Å²	64.8	66%	0.663	35%	0.349	S	S	*	.	H	α-helix	trans	-80.1	-35.5	-177	-49.9	0	0	0	0	111.5	K56 A57 I58	K56-T60 WeakPolarHBondContact O-CB 3.43Å; K56-T60 PolarHBondContact O-N 3.49Å; K56-T60 PolarHBondContact O-OG1 3.32Å; A57-T60 PolarHBondContact O-N 3.16Å; I58-T60 VanDerWaalsContact C-N 3.29Å; I58-T60 PolarHBondContact O-N 3.21Å
61	Q	87.9	Confident	85.4	Confident	116 Å²	116	63 Å²	63	54%	0.542	34%	0.337	S	S	.	.			trans	-139.9	88.6	178.5	-170.5	175.5	7.8	0	0	110.3	A57 I58 N63 F64	A57-Q61 PolarHBondContact O-N 3.39Å; I58-Q61 CarbonylContact O-C 3.24Å; I58-Q61 VanDerWaalsContact O-C 3.24Å; Q61-N63 PolarHBondContact O-N 2.98Å; Q61-F64 HydrophobicContact CB-CB 4.2Å; Q61-F64 HydrophobicContact CG-CB 4.1Å; Q61-F64 VanDerWaalsContact O-CB 3.28Å; Q61-F64 WeakPolarHBondContact O-CB 3.24Å; Q61-F64 PolarHBondContact O-N 2.82Å
62	P	87.4	Confident	86	Confident	77 Å²	77	60 Å²	60	50%	0.5	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.8	-176.1	-28.8	36.3	0	0	0	114.8	I58 F64 W68 L94	I58-P62 WeakPolarHBondContact O-CA 3.36Å; I58-P62 WeakPolarHBondContact O-CD 3.45Å; P62-F64 VanDerWaalsContact C-N 3.32Å; P62-F64 PolarHBondContact O-N 3.49Å; P62-W68 PolarHBondContact O-NE1 3.32Å; P62-L94 WeakPolarHBondContact O-CD1 3.48Å
63	N	88.8	Confident	86.5	Confident	122 Å²	122	58.8 Å²	58.8	65%	0.652	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	8.2	-179.4	-61.5	-8.6	0	0	0	113.6	Q61 A65 L94	Q61-N63 PolarHBondContact O-N 2.98Å; N63-A65 PolarHBondContact O-N 3.5Å; N63-L94 HydrophobicContact CB-CD2 4.3Å
64	F	89.6	Confident	86.9	Confident	83 Å²	83	55.7 Å²	55.7	36%	0.364	29%	0.29	S	S	.	.			trans	-80.2	83.3	-177	-174.7	-146.6	0	0	0	112	A57 Q61 P62 V66 A67 W68	A57-F64 HydrophobicContact CB-CD1 4.08Å; A57-F64 HydrophobicContact CB-CE1 4.35Å; Q61-F64 HydrophobicContact CB-CB 4.2Å; Q61-F64 HydrophobicContact CG-CB 4.1Å; Q61-F64 VanDerWaalsContact O-CB 3.28Å; Q61-F64 WeakPolarHBondContact O-CB 3.24Å; Q61-F64 PolarHBondContact O-N 2.82Å; P62-F64 VanDerWaalsContact C-N 3.32Å; P62-F64 PolarHBondContact O-N 3.49Å; F64-V66 HydrophobicContact CD2-CB 4.3Å; F64-V66 HydrophobicContact CE2-CB 3.71Å; F64-V66 HydrophobicContact CE2-CG2 4.11Å; F64-V66 HydrophobicContact CZ-CB 3.94Å; F64-V66 HydrophobicContact CZ-CG1 4.41Å; F64-V66 PolarHBondContact O-N 3.04Å; F64-V66 VanDerWaalsContact O-N 3.14Å; F64-A67 HydrophobicContact CB-CB 4.48Å; F64-A67 HydrophobicContact CD1-CB 3.32Å; F64-A67 HydrophobicContact CE1-CB 3.72Å; F64-A67 HydrophobicContact CG-CB 4.08Å; F64-A67 PolarHBondContact O-N 3.3Å; F64-W68 PolarHBondContact O-N 3.32Å
65	A	86.8	Confident	87	Confident	9 Å²	9	53 Å²	53	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-51.8	-37	-174.4	0	0	0	0	0	114.4	N63 A67 W68 S69 A91 L94 D95 F98	N63-A65 PolarHBondContact O-N 3.5Å; A65-A67 PolarHBondContact O-N 2.82Å; A65-W68 WeakPolarHBondContact O-CB 3.3Å; A65-W68 PolarHBondContact O-N 2.86Å; A65-S69 PolarHBondContact O-N 3.2Å; A65-A91 WeakPolarHBondContact O-CB 3.4Å; A65-L94 HydrophobicContact CB-CB 3.94Å; A65-D95 HydrophobicContact CB-CB 3.76Å; A65-F98 HydrophobicContact CB-CD1 4.09Å; A65-F98 HydrophobicContact CB-CE1 4.4Å
66	V	88.2	Confident	87	Confident	62 Å²	62	51.9 Å²	51.9	38%	0.376	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-40.2	178.5	-179.6	0	0	0	0	112	F64 S69 N70 F98	F64-V66 HydrophobicContact CD2-CB 4.3Å; F64-V66 HydrophobicContact CE2-CB 3.71Å; F64-V66 HydrophobicContact CE2-CG2 4.11Å; F64-V66 HydrophobicContact CZ-CB 3.94Å; F64-V66 HydrophobicContact CZ-CG1 4.41Å; F64-V66 PolarHBondContact O-N 3.04Å; F64-V66 VanDerWaalsContact O-N 3.14Å; V66-S69 PolarHBondContact O-N 3.33Å; V66-N70 WeakPolarHBondContact O-CB 3.46Å; V66-N70 VanDerWaalsContact O-CG 3.29Å; V66-N70 PolarHBondContact O-N 3.31Å; V66-N70 PolarHBondContact O-ND2 2.96Å; V66-F98 HydrophobicContact CB-CZ 4.47Å; V66-F98 HydrophobicContact CG2-CE1 4.18Å; V66-F98 HydrophobicContact CG2-CZ 4.02Å
67	A	85.6	Confident	86.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.4	-36.7	176.3	0	0	0	0	0	112.1	Y54 A57 I58 F64 A65 L71	Y54-A67 HydrophobicContact CD1-CB 4.47Å; A57-A67 HydrophobicContact CB-CB 4.01Å; I58-A67 HydrophobicContact CD1-CB 4.42Å; I58-A67 HydrophobicContact CG1-CB 3.87Å; F64-A67 HydrophobicContact CB-CB 4.48Å; F64-A67 HydrophobicContact CD1-CB 3.32Å; F64-A67 HydrophobicContact CE1-CB 3.72Å; F64-A67 HydrophobicContact CG-CB 4.08Å; F64-A67 PolarHBondContact O-N 3.3Å; A65-A67 PolarHBondContact O-N 2.82Å; A67-L71 VanDerWaalsContact O-CB 3.23Å; A67-L71 WeakPolarHBondContact O-CB 3.1Å; A67-L71 PolarHBondContact O-N 3.48Å
68	W	89.5	Confident	87.1	Confident	43 Å²	43	52.4 Å²	52.4	16%	0.163	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-47.2	173	-73.4	99.8	0	0	0	111.9	I58 P62 F64 A65 L71 G72 H87 K90 A91 L94	I58-W68 HydrophobicContact CB-CZ2 4.47Å; I58-W68 HydrophobicContact CD1-CD2 3.71Å; I58-W68 HydrophobicContact CD1-CE3 4Å; I58-W68 HydrophobicContact CD1-CG 4.02Å; I58-W68 HydrophobicContact CD1-CZ2 4.38Å; I58-W68 HydrophobicContact CD1-CZ3 4.41Å; I58-W68 HydrophobicContact CG1-CD2 4.14Å; I58-W68 HydrophobicContact CG1-CG 4.24Å; I58-W68 HydrophobicContact CG1-CZ2 4.45Å; I58-W68 HydrophobicContact CG2-CD2 4.42Å; I58-W68 HydrophobicContact CG2-CH2 3.89Å; I58-W68 HydrophobicContact CG2-CZ2 3.24Å; P62-W68 PolarHBondContact O-NE1 3.32Å; F64-W68 PolarHBondContact O-N 3.32Å; A65-W68 WeakPolarHBondContact O-CB 3.3Å; A65-W68 PolarHBondContact O-N 2.86Å; W68-L71 PolarHBondContact O-N 3.02Å; W68-G72 PolarHBondContact O-N 2.91Å; W68-H87 HydrophobicContact CE3-CB 4.47Å; W68-H87 AromaticContact CE3-CD2 3.47Å; W68-H87 VanDerWaalsContact CE3-CD2 3.47Å; W68-H87 AromaticContact CZ3-CD2 3.6Å; W68-H87 AromaticContact CZ3-NE2 3.9Å; W68-K90 HydrophobicContact CD2-CB 4.08Å; W68-K90 HydrophobicContact CE3-CB 3.87Å; W68-K90 HydrophobicContact CE3-CG 4.32Å; W68-K90 HydrophobicContact CG-CB 4.45Å; W68-K90 HydrophobicContact CZ3-CB 4.37Å; W68-K90 HydrophobicContact CZ3-CG 4.33Å; W68-A91 HydrophobicContact CB-CB 3.95Å; W68-L94 HydrophobicContact CG-CD1 4.14Å
69	S	89.3	Confident	86.8	Confident	3 Å²	3	54 Å²	54	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-46.9	177.4	-176.4	0	0	0	0	111.9	A65 V66 L71 G72 C73 F88	A65-S69 PolarHBondContact O-N 3.2Å; V66-S69 PolarHBondContact O-N 3.33Å; S69-L71 VanDerWaalsContact C-N 3.31Å; S69-L71 PolarHBondContact O-N 3.38Å; S69-G72 WeakPolarHBondContact O-CA 3.48Å; S69-G72 PolarHBondContact O-N 2.74Å; S69-G72 VanDerWaalsContact O-N 3.08Å; S69-C73 PolarHBondContact O-N 2.76Å; S69-C73 PolarHBondContact O-SG 3.4Å; S69-F88 WeakPolarHBondContact O-CE1 3.12Å
70	N	88.1	Confident	87	Confident	55 Å²	55	52.6 Å²	52.6	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-34.8	179.2	-71.3	-20.8	0	0	0	112.6	Y54 V66 G72 C73 V74	Y54-N70 HydrophobicContact CD1-CB 4.07Å; Y54-N70 HydrophobicContact CD2-CB 4.2Å; Y54-N70 HydrophobicContact CE1-CB 3.74Å; Y54-N70 HydrophobicContact CE2-CB 3.88Å; Y54-N70 HydrophobicContact CG-CB 4.31Å; V66-N70 WeakPolarHBondContact O-CB 3.46Å; V66-N70 VanDerWaalsContact O-CG 3.29Å; V66-N70 PolarHBondContact O-N 3.31Å; V66-N70 PolarHBondContact O-ND2 2.96Å; N70-G72 VanDerWaalsContact C-N 3.34Å; N70-C73 WeakPolarHBondContact O-CB 3.39Å; N70-C73 PolarHBondContact O-N 3.49Å; N70-V74 WeakPolarHBondContact O-CG2 3.37Å; N70-V74 PolarHBondContact O-N 2.97Å; N70-V74 VanDerWaalsContact O-N 3.11Å
71	L	87	Confident	87.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-36.3	172.7	-174.2	57.3	0	0	0	111.6	K51 L55 I58 A67 W68 S69 V74 F75	K51-L71 HydrophobicContact CG-CD1 3.97Å; L55-L71 HydrophobicContact CD2-CD2 3.63Å; L55-L71 HydrophobicContact CG-CD2 4.11Å; I58-L71 HydrophobicContact CD1-CB 4.5Å; I58-L71 HydrophobicContact CD1-CD2 3.65Å; A67-L71 VanDerWaalsContact O-CB 3.23Å; A67-L71 WeakPolarHBondContact O-CB 3.1Å; A67-L71 PolarHBondContact O-N 3.48Å; W68-L71 PolarHBondContact O-N 3.02Å; S69-L71 VanDerWaalsContact C-N 3.31Å; S69-L71 PolarHBondContact O-N 3.38Å; L71-V74 PolarHBondContact O-N 3.3Å; L71-F75 HydrophobicContact CD1-CD2 4.18Å; L71-F75 HydrophobicContact CD1-CE2 3.75Å; L71-F75 HydrophobicContact CD1-CZ 4.42Å; L71-F75 HydrophobicContact CD2-CE2 4.14Å; L71-F75 HydrophobicContact CG-CD2 3.97Å; L71-F75 HydrophobicContact CG-CE2 3.64Å; L71-F75 VanDerWaalsContact O-CD2 3.23Å; L71-F75 WeakPolarHBondContact O-CD2 3.45Å; L71-F75 PolarHBondContact O-N 2.65Å
72	G	88.6	Confident	87.3	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-44.7	169	0	0	0	0	0	112.6	W68 S69 N70 V74 F75 N76 A84	W68-G72 PolarHBondContact O-N 2.91Å; S69-G72 WeakPolarHBondContact O-CA 3.48Å; S69-G72 PolarHBondContact O-N 2.74Å; S69-G72 VanDerWaalsContact O-N 3.08Å; N70-G72 VanDerWaalsContact C-N 3.34Å; G72-V74 VanDerWaalsContact C-N 3.33Å; G72-V74 PolarHBondContact O-N 2.98Å; G72-F75 PolarHBondContact O-N 2.84Å; G72-N76 WeakPolarHBondContact O-CB 3.44Å; G72-N76 PolarHBondContact O-N 2.83Å; G72-A84 WeakPolarHBondContact O-CB 3.33Å
73	C	87.2	Confident	87.4	Confident	32 Å²	32	52.7 Å²	52.7	22%	0.216	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-40.2	174.6	-63.7	0	0	0	0	112.4	S69 N70 N76 A77 F88	S69-C73 PolarHBondContact O-N 2.76Å; S69-C73 PolarHBondContact O-SG 3.4Å; N70-C73 WeakPolarHBondContact O-CB 3.39Å; N70-C73 PolarHBondContact O-N 3.49Å; C73-N76 PolarHBondContact O-N 3.39Å; C73-A77 WeakPolarHBondContact O-CB 2.96Å; C73-A77 PolarHBondContact O-N 3.29Å; C73-F88 HydrophobicContact CB-CZ 4.45Å; C73-F88 VanDerWaalsContact N-CZ 3.33Å
74	V	87.2	Confident	87.5	Confident	16 Å²	16	46.9 Å²	46.9	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-44.7	176.9	172.9	0	0	0	0	111.3	K51 Y54 N70 L71 G72 N76 A77 Q78	K51-V74 HydrophobicContact CB-CG1 4.31Å; Y54-V74 HydrophobicContact CD2-CG2 4.29Å; Y54-V74 HydrophobicContact CE2-CG2 4.17Å; N70-V74 WeakPolarHBondContact O-CG2 3.37Å; N70-V74 PolarHBondContact O-N 2.97Å; N70-V74 VanDerWaalsContact O-N 3.11Å; L71-V74 PolarHBondContact O-N 3.3Å; G72-V74 VanDerWaalsContact C-N 3.33Å; G72-V74 PolarHBondContact O-N 2.98Å; V74-N76 VanDerWaalsContact C-N 3.33Å; V74-A77 PolarHBondContact O-N 3.14Å; V74-Q78 WeakPolarHBondContact O-CG 3.21Å; V74-Q78 PolarHBondContact O-N 3.47Å
75	F	87.3	Confident	87.7	Confident	16 Å²	16	43.2 Å²	43.2	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-37.5	176.3	-77.2	-60.5	0	0	0	112.1	L71 G72 Q78 G79 E80 L83 A84 H87	L71-F75 HydrophobicContact CD1-CD2 4.18Å; L71-F75 HydrophobicContact CD1-CE2 3.75Å; L71-F75 HydrophobicContact CD1-CZ 4.42Å; L71-F75 HydrophobicContact CD2-CE2 4.14Å; L71-F75 HydrophobicContact CG-CD2 3.97Å; L71-F75 HydrophobicContact CG-CE2 3.64Å; L71-F75 VanDerWaalsContact O-CD2 3.23Å; L71-F75 WeakPolarHBondContact O-CD2 3.45Å; L71-F75 PolarHBondContact O-N 2.65Å; G72-F75 PolarHBondContact O-N 2.84Å; F75-Q78 PolarHBondContact O-N 2.86Å; F75-Q78 VanDerWaalsContact O-N 3.11Å; F75-G79 PolarHBondContact O-N 3.48Å; F75-E80 HydrophobicContact CB-CB 4.16Å; F75-E80 HydrophobicContact CD1-CB 4.01Å; F75-E80 HydrophobicContact CD1-CG 4.34Å; F75-E80 PolarHBondContact O-N 3.44Å; F75-L83 HydrophobicContact CB-CB 4.1Å; F75-L83 HydrophobicContact CD1-CB 3.98Å; F75-L83 HydrophobicContact CD1-CD1 3.88Å; F75-L83 HydrophobicContact CD2-CB 4.15Å; F75-L83 HydrophobicContact CE1-CB 4.42Å; F75-L83 HydrophobicContact CE1-CD1 3.73Å; F75-L83 HydrophobicContact CG-CB 3.83Å; F75-L83 HydrophobicContact CZ-CD1 4.31Å; F75-A84 HydrophobicContact CB-CB 4.13Å; F75-H87 AromaticContact CD2-CE1 3.81Å; F75-H87 AromaticContact CD2-ND1 3.81Å; F75-H87 AromaticContact CE2-CE1 3.41Å; F75-H87 VanDerWaalsContact CE2-CE1 3.41Å; F75-H87 WeakPolarHBondContact CE2-CE1 3.43Å; F75-H87 AromaticContact CE2-ND1 3.9Å; F75-H87 AromaticContact CE2-NE2 3.61Å
76	N	83.9	Confident	88	Confident	50 Å²	50	46.7 Å²	46.7	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-45.9	175.4	-163.8	48.1	0	0	0	111.5	G72 C73 V74 Q78 G79 A84 V108	G72-N76 WeakPolarHBondContact O-CB 3.44Å; G72-N76 PolarHBondContact O-N 2.83Å; C73-N76 PolarHBondContact O-N 3.39Å; V74-N76 VanDerWaalsContact C-N 3.33Å; N76-Q78 PolarHBondContact O-N 2.78Å; N76-G79 PolarHBondContact O-N 2.72Å; N76-A84 HydrophobicContact CB-CB 3.87Å; N76-V108 HydrophobicContact CB-CG2 4.24Å; N76-V108 VanDerWaalsContact CG-CG2 3.49Å; N76-V108 WeakPolarHBondContact OD1-CG2 3.26Å
77	A	82.4	Confident	88.2	Confident	83 Å²	83	44.6 Å²	44.6	69%	0.686	24%	0.237	S	C	*	.	H	α-helix	trans	-63.8	-20	176	0	0	0	0	0	113.6	C73 V74	C73-A77 WeakPolarHBondContact O-CB 2.96Å; C73-A77 PolarHBondContact O-N 3.29Å; V74-A77 PolarHBondContact O-N 3.14Å
78	Q	85.5	Confident	88.6	Confident	77 Å²	77	44.7 Å²	44.7	36%	0.36	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.1	174.3	-70.9	174.4	-3.3	0	0	113	V74 F75 N76 E80	V74-Q78 WeakPolarHBondContact O-CG 3.21Å; V74-Q78 PolarHBondContact O-N 3.47Å; F75-Q78 PolarHBondContact O-N 2.86Å; F75-Q78 VanDerWaalsContact O-N 3.11Å; N76-Q78 PolarHBondContact O-N 2.78Å; Q78-E80 HydrophobicContact CB-CG 4.16Å; Q78-E80 PolarHBondContact O-N 3.14Å
79	G	82	Confident	88.8	Confident	52 Å²	52	45.4 Å²	45.4	54%	0.536	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	8.3	-174	0	0	0	0	0	113.9	F75 N76 I81	F75-G79 PolarHBondContact O-N 3.48Å; N76-G79 PolarHBondContact O-N 2.72Å; G79-I81 PolarHBondContact O-N 2.78Å
80	E	89.3	Confident	89	Confident	100 Å²	100	49.6 Å²	49.6	47%	0.467	26%	0.261	S	S	.	.			trans	-84.8	64.3	179.8	-64.5	-67.6	169.6	0	0	110.4	F75 Q78 W82 L83 A84	F75-E80 HydrophobicContact CB-CB 4.16Å; F75-E80 HydrophobicContact CD1-CB 4.01Å; F75-E80 HydrophobicContact CD1-CG 4.34Å; F75-E80 PolarHBondContact O-N 3.44Å; Q78-E80 HydrophobicContact CB-CG 4.16Å; Q78-E80 PolarHBondContact O-N 3.14Å; E80-W82 VanDerWaalsContact C-N 3.34Å; E80-W82 PolarHBondContact O-N 2.97Å; E80-L83 HydrophobicContact CB-CB 4.16Å; E80-L83 HydrophobicContact CB-CD1 4.11Å; E80-L83 HydrophobicContact CG-CD1 4.4Å; E80-L83 PolarHBondContact O-N 2.75Å; E80-L83 VanDerWaalsContact O-N 3.1Å; E80-A84 PolarHBondContact O-N 3.43Å
81	I	88.6	Confident	89.2	Confident	44 Å²	44	47 Å²	47	23%	0.226	25%	0.247	C	C	.	.	H	α-helix	trans	-53.6	-45.5	-169.9	-65.6	175.4	0	0	0	112.3	G79 L83 A84 I85 V108 E111 A112	G79-I81 PolarHBondContact O-N 2.78Å; I81-L83 PolarHBondContact O-N 3.17Å; I81-A84 WeakPolarHBondContact O-CB 3.26Å; I81-A84 PolarHBondContact O-N 3.17Å; I81-I85 HydrophobicContact CG2-CD1 3.99Å; I81-I85 WeakPolarHBondContact O-CG1 3.31Å; I81-I85 PolarHBondContact O-N 2.95Å; I81-V108 HydrophobicContact CG2-CG1 3.85Å; I81-E111 HydrophobicContact CD1-CG 4.36Å; I81-A112 HydrophobicContact CG2-CB 3.78Å
82	W	90.3	Very high	89.6	Confident	188 Å²	188	47.5 Å²	47.5	71%	0.712	25%	0.25	S	C	*	.	H	α-helix	trans	-67.3	-36.6	-178.8	-65.7	112.2	0	0	0	113	E80 I85 H86 I114	E80-W82 VanDerWaalsContact C-N 3.34Å; E80-W82 PolarHBondContact O-N 2.97Å; W82-I85 HydrophobicContact CE3-CD1 4.04Å; W82-I85 HydrophobicContact CZ3-CD1 4.25Å; W82-H86 PolarHBondContact O-N 2.88Å; W82-H86 VanDerWaalsContact O-N 3.11Å; W82-I114 HydrophobicContact CH2-CD1 3.73Å; W82-I114 HydrophobicContact CZ3-CD1 3.69Å
83	L	90.8	Very high	89.8	Confident	72 Å²	72	52.4 Å²	52.4	38%	0.377	28%	0.28	S	S	.	.	H	α-helix	trans	-69.1	-40.6	174.4	-70.7	174.4	0	0	0	110.3	F75 E80 I81 H86 H87	F75-L83 HydrophobicContact CB-CB 4.1Å; F75-L83 HydrophobicContact CD1-CB 3.98Å; F75-L83 HydrophobicContact CD1-CD1 3.88Å; F75-L83 HydrophobicContact CD2-CB 4.15Å; F75-L83 HydrophobicContact CE1-CB 4.42Å; F75-L83 HydrophobicContact CE1-CD1 3.73Å; F75-L83 HydrophobicContact CG-CB 3.83Å; F75-L83 HydrophobicContact CZ-CD1 4.31Å; E80-L83 HydrophobicContact CB-CB 4.16Å; E80-L83 HydrophobicContact CB-CD1 4.11Å; E80-L83 HydrophobicContact CG-CD1 4.4Å; E80-L83 PolarHBondContact O-N 2.75Å; E80-L83 VanDerWaalsContact O-N 3.1Å; I81-L83 PolarHBondContact O-N 3.17Å; L83-H86 PolarHBondContact O-N 3.44Å; L83-H87 PolarHBondContact O-N 3.35Å; L83-H87 VanDerWaalsContact O-N 3.08Å; L83-H87 PolarHBondContact O-ND1 3.01Å
84	A	90.9	Very high	90.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-49.7	175	0	0	0	0	0	111.6	G72 F75 N76 E80 I81 H86 H87 F88 V108	G72-A84 WeakPolarHBondContact O-CB 3.33Å; F75-A84 HydrophobicContact CB-CB 4.13Å; N76-A84 HydrophobicContact CB-CB 3.87Å; E80-A84 PolarHBondContact O-N 3.43Å; I81-A84 WeakPolarHBondContact O-CB 3.26Å; I81-A84 PolarHBondContact O-N 3.17Å; A84-H86 VanDerWaalsContact C-N 3.34Å; A84-H86 PolarHBondContact O-N 2.95Å; A84-H87 PolarHBondContact O-N 3.27Å; A84-F88 HydrophobicContact CB-CD2 4.4Å; A84-F88 HydrophobicContact CB-CE2 4.13Å; A84-F88 WeakPolarHBondContact O-CD2 3.35Å; A84-F88 WeakPolarHBondContact O-CG 3.36Å; A84-F88 PolarHBondContact O-N 3.49Å; A84-V108 HydrophobicContact CB-CG1 4.13Å
85	I	93.4	Very high	90.3	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-54.9	-49.6	176.4	-67.8	165.7	0	0	0	110.7	I81 W82 H87 F88 E89 L105 V108 L109 A112 I114	I81-I85 HydrophobicContact CG2-CD1 3.99Å; I81-I85 WeakPolarHBondContact O-CG1 3.31Å; I81-I85 PolarHBondContact O-N 2.95Å; W82-I85 HydrophobicContact CE3-CD1 4.04Å; W82-I85 HydrophobicContact CZ3-CD1 4.25Å; I85-H87 VanDerWaalsContact C-N 3.32Å; I85-H87 PolarHBondContact O-N 3.23Å; I85-F88 PolarHBondContact O-N 3.27Å; I85-E89 HydrophobicContact CG2-CG 4.25Å; I85-E89 WeakPolarHBondContact CG2-OE1 3.47Å; I85-E89 WeakPolarHBondContact O-CB 3.48Å; I85-E89 WeakPolarHBondContact O-CG 3.25Å; I85-E89 PolarHBondContact O-N 3.43Å; I85-L105 HydrophobicContact CG2-CD1 4.21Å; I85-V108 HydrophobicContact CD1-CG1 4.21Å; I85-V108 HydrophobicContact CG1-CB 4.37Å; I85-V108 HydrophobicContact CG1-CG1 3.58Å; I85-L109 HydrophobicContact CD1-CD2 3.88Å; I85-L109 HydrophobicContact CG1-CD2 4.08Å; I85-L109 HydrophobicContact CG2-CD2 4.03Å; I85-A112 HydrophobicContact CD1-CB 4.08Å; I85-I114 HydrophobicContact CD1-CD1 4.33Å
86	H	93.6	Very high	90.5	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-56.4	-45.4	180	179	78.2	0	0	0	112.5	W82 L83 A84 E89 K90	W82-H86 PolarHBondContact O-N 2.88Å; W82-H86 VanDerWaalsContact O-N 3.11Å; L83-H86 PolarHBondContact O-N 3.44Å; A84-H86 VanDerWaalsContact C-N 3.34Å; A84-H86 PolarHBondContact O-N 2.95Å; H86-E89 PolarHBondContact O-N 2.71Å; H86-K90 WeakPolarHBondContact O-CG 3.15Å; H86-K90 PolarHBondContact O-N 2.95Å
87	H	92	Very high	90.9	Very high	19 Å²	19	61.1 Å²	61.1	9%	0.088	33%	0.328	C	S	.	.	H	α-helix	trans	-72.3	-36.2	-176.8	-71.8	76.6	0	0	0	112.1	W68 F75 L83 A84 I85 K90 A91	W68-H87 HydrophobicContact CE3-CB 4.47Å; W68-H87 AromaticContact CE3-CD2 3.47Å; W68-H87 VanDerWaalsContact CE3-CD2 3.47Å; W68-H87 AromaticContact CZ3-CD2 3.6Å; W68-H87 AromaticContact CZ3-NE2 3.9Å; F75-H87 AromaticContact CD2-CE1 3.81Å; F75-H87 AromaticContact CD2-ND1 3.81Å; F75-H87 AromaticContact CE2-CE1 3.41Å; F75-H87 VanDerWaalsContact CE2-CE1 3.41Å; F75-H87 WeakPolarHBondContact CE2-CE1 3.43Å; F75-H87 AromaticContact CE2-ND1 3.9Å; F75-H87 AromaticContact CE2-NE2 3.61Å; L83-H87 PolarHBondContact O-N 3.35Å; L83-H87 VanDerWaalsContact O-N 3.08Å; L83-H87 PolarHBondContact O-ND1 3.01Å; A84-H87 PolarHBondContact O-N 3.27Å; I85-H87 VanDerWaalsContact C-N 3.32Å; I85-H87 PolarHBondContact O-N 3.23Å; H87-K90 PolarHBondContact O-N 2.86Å; H87-A91 PolarHBondContact O-N 3.36Å
88	F	94.1	Very high	91.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-40.5	172	-69.7	-53.4	0	0	0	112.4	S69 C73 A84 I85 K90 A91 V92 N104 L105 V108	S69-F88 WeakPolarHBondContact O-CE1 3.12Å; C73-F88 HydrophobicContact CB-CZ 4.45Å; C73-F88 VanDerWaalsContact N-CZ 3.33Å; A84-F88 HydrophobicContact CB-CD2 4.4Å; A84-F88 HydrophobicContact CB-CE2 4.13Å; A84-F88 WeakPolarHBondContact O-CD2 3.35Å; A84-F88 WeakPolarHBondContact O-CG 3.36Å; A84-F88 PolarHBondContact O-N 3.49Å; I85-F88 PolarHBondContact O-N 3.27Å; F88-K90 VanDerWaalsContact C-N 3.32Å; F88-K90 PolarHBondContact O-N 3.41Å; F88-A91 WeakPolarHBondContact O-CB 3.19Å; F88-A91 PolarHBondContact O-N 3.13Å; F88-V92 PolarHBondContact O-N 3.16Å; F88-N104 HydrophobicContact CD1-CB 3.96Å; F88-N104 HydrophobicContact CE1-CB 3.48Å; F88-N104 VanDerWaalsContact CE1-CB 3.48Å; F88-N104 HydrophobicContact CE2-CB 4.17Å; F88-N104 HydrophobicContact CG-CB 4.5Å; F88-N104 HydrophobicContact CZ-CB 3.61Å; F88-L105 HydrophobicContact CB-CB 3.92Å; F88-L105 HydrophobicContact CB-CD1 3.85Å; F88-L105 HydrophobicContact CB-CG 4.38Å; F88-V108 HydrophobicContact CD2-CG2 4.24Å; F88-V108 HydrophobicContact CE2-CG2 3.75Å
89	E	94.4	Very high	91.6	Very high	57 Å²	57	56.7 Å²	56.7	27%	0.266	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-41.4	173.8	-76.7	176.4	173.8	0	0	112.1	I85 H86 V92 T93 L105 R117	I85-E89 HydrophobicContact CG2-CG 4.25Å; I85-E89 WeakPolarHBondContact CG2-OE1 3.47Å; I85-E89 WeakPolarHBondContact O-CB 3.48Å; I85-E89 WeakPolarHBondContact O-CG 3.25Å; I85-E89 PolarHBondContact O-N 3.43Å; H86-E89 PolarHBondContact O-N 2.71Å; E89-V92 VanDerWaalsContact O-CG2 3.28Å; E89-V92 WeakPolarHBondContact O-CG2 3.38Å; E89-T93 WeakPolarHBondContact O-CB 3.43Å; E89-T93 PolarHBondContact O-N 3.11Å; E89-T93 PolarHBondContact O-OG1 3.25Å; E89-L105 HydrophobicContact CG-CD1 4Å; E89-L105 HydrophobicContact CG-CD2 4.28Å; E89-R117 IonicContact OE1-CZ 3.09Å; E89-R117 IonicContact OE1-NH1 2.73Å; E89-R117 PolarHBondContact OE1-NH1 3.3Å; E89-R117 IonicContact OE1-NH2 3.38Å; E89-R117 PolarHBondContact OE1-NH2 2.97Å
90	K	93.3	Very high	91.8	Very high	92 Å²	92	57.7 Å²	57.7	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-43.1	173.5	-73.2	-66.3	-179.5	-174.9	0	111.7	W68 H86 H87 F88 T93 L94	W68-K90 HydrophobicContact CD2-CB 4.08Å; W68-K90 HydrophobicContact CE3-CB 3.87Å; W68-K90 HydrophobicContact CE3-CG 4.32Å; W68-K90 HydrophobicContact CG-CB 4.45Å; W68-K90 HydrophobicContact CZ3-CB 4.37Å; W68-K90 HydrophobicContact CZ3-CG 4.33Å; H86-K90 WeakPolarHBondContact O-CG 3.15Å; H86-K90 PolarHBondContact O-N 2.95Å; H87-K90 PolarHBondContact O-N 2.86Å; F88-K90 VanDerWaalsContact C-N 3.32Å; F88-K90 PolarHBondContact O-N 3.41Å; K90-T93 PolarHBondContact O-N 3.29Å; K90-L94 WeakPolarHBondContact O-CB 3.46Å; K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.39Å; K90-L94 PolarHBondContact O-N 2.76Å
91	A	92.3	Very high	91.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-48.2	177.2	0	0	0	0	0	112.3	A65 W68 H87 F88 T93 L94 D95 F98 A101	A65-A91 WeakPolarHBondContact O-CB 3.4Å; W68-A91 HydrophobicContact CB-CB 3.95Å; H87-A91 PolarHBondContact O-N 3.36Å; F88-A91 WeakPolarHBondContact O-CB 3.19Å; F88-A91 PolarHBondContact O-N 3.13Å; A91-T93 VanDerWaalsContact C-N 3.3Å; A91-T93 PolarHBondContact O-N 3.4Å; A91-L94 PolarHBondContact O-N 3.33Å; A91-D95 PolarHBondContact O-N 3.38Å; A91-F98 HydrophobicContact CB-CD1 4.36Å; A91-F98 HydrophobicContact CB-CE1 4.5Å; A91-A101 HydrophobicContact CB-CB 4Å
92	V	93.9	Very high	92	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-72.7	-21.2	179.6	-58.7	0	0	0	0	113.6	F88 E89 D95 P96 A101 Y102 L105	F88-V92 PolarHBondContact O-N 3.16Å; E89-V92 VanDerWaalsContact O-CG2 3.28Å; E89-V92 WeakPolarHBondContact O-CG2 3.38Å; V92-D95 CarbonylContact O-C 3.34Å; V92-P96 WeakPolarHBondContact O-CA 3.47Å; V92-A101 HydrophobicContact CG1-CB 3.6Å; V92-Y102 HydrophobicContact CB-CD1 4.21Å; V92-Y102 HydrophobicContact CB-CD2 4.44Å; V92-Y102 HydrophobicContact CB-CE1 3.71Å; V92-Y102 HydrophobicContact CB-CE2 3.98Å; V92-Y102 HydrophobicContact CG1-CD1 3.73Å; V92-Y102 HydrophobicContact CG1-CD2 3.91Å; V92-Y102 HydrophobicContact CG1-CE1 3.78Å; V92-Y102 HydrophobicContact CG1-CE2 3.97Å; V92-Y102 HydrophobicContact CG1-CG 3.79Å; V92-Y102 HydrophobicContact CG2-CE1 3.98Å; V92-L105 HydrophobicContact CG2-CD2 4.12Å
93	T	93.9	Very high	92.1	Very high	103 Å²	103	43.6 Å²	43.6	63%	0.632	23%	0.227	S	C	*	.	H	α-helix	trans	-74.9	-39.1	172.5	-58.8	0	0	0	0	111.3	E89 K90 A91	E89-T93 WeakPolarHBondContact O-CB 3.43Å; E89-T93 PolarHBondContact O-N 3.11Å; E89-T93 PolarHBondContact O-OG1 3.25Å; K90-T93 PolarHBondContact O-N 3.29Å; A91-T93 VanDerWaalsContact C-N 3.3Å; A91-T93 PolarHBondContact O-N 3.4Å
94	L	92.1	Very high	92.1	Very high	65 Å²	65	42 Å²	42	34%	0.34	22%	0.219	S	C	.	.	H	α-helix	trans	-74.5	-33.7	178.8	-70.2	171.9	0	0	0	112.1	P62 N63 A65 W68 K90 A91	P62-L94 WeakPolarHBondContact O-CD1 3.48Å; N63-L94 HydrophobicContact CB-CD2 4.3Å; A65-L94 HydrophobicContact CB-CB 3.94Å; W68-L94 HydrophobicContact CG-CD1 4.14Å; K90-L94 WeakPolarHBondContact O-CB 3.46Å; K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.39Å; K90-L94 PolarHBondContact O-N 2.76Å; A91-L94 PolarHBondContact O-N 3.33Å
95	D	92.3	Very high	92.2	Very high	60 Å²	60	42.6 Å²	42.6	32%	0.321	22%	0.222	S	C	.	.			trans	-134.2	95.9	172.8	-178.1	2.2	0	0	0	111.2	A65 A91 V92 N97 F98	A65-D95 HydrophobicContact CB-CB 3.76Å; A91-D95 PolarHBondContact O-N 3.38Å; V92-D95 CarbonylContact O-C 3.34Å; D95-N97 PolarHBondContact O-N 2.96Å; D95-N97 VanDerWaalsContact O-N 3.09Å; D95-N97 PolarHBondContact OD1-N 3.33Å; D95-F98 HydrophobicContact CB-CB 3.96Å; D95-F98 VanDerWaalsContact O-CB 3.3Å; D95-F98 WeakPolarHBondContact O-CB 3.48Å; D95-F98 PolarHBondContact O-N 3.08Å; D95-F98 VanDerWaalsContact O-N 3.09Å
96	P	91.9	Very high	92.1	Very high	65 Å²	65	42.3 Å²	42.3	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-4.6	179.1	-24.3	35.5	0	0	0	116.1	V92 Y102 R124	V92-P96 WeakPolarHBondContact O-CA 3.47Å; P96-Y102 WeakPolarHBondContact O-CE2 3.23Å; P96-R124 PolarHBondContact O-NH2 2.89Å; P96-R124 VanDerWaalsContact O-NH2 3.14Å
97	N	92.4	Very high	92	Very high	107 Å²	107	39.6 Å²	39.6	57%	0.572	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	8.5	176	-65.1	-33.1	0	0	0	112.3	D95 L99 L128	D95-N97 PolarHBondContact O-N 2.96Å; D95-N97 VanDerWaalsContact O-N 3.09Å; D95-N97 PolarHBondContact OD1-N 3.33Å; N97-L99 PolarHBondContact O-N 2.95Å; N97-L128 HydrophobicContact CB-CD2 4.32Å
98	F	91.9	Very high	91.9	Very high	26 Å²	26	38.7 Å²	38.7	11%	0.114	21%	0.205	C	C	.	.			trans	-77.5	87.8	-178	-164.8	-179.1	0	0	0	112	A65 V66 A91 D95 D100 A101 Y102	A65-F98 HydrophobicContact CB-CD1 4.09Å; A65-F98 HydrophobicContact CB-CE1 4.4Å; V66-F98 HydrophobicContact CB-CZ 4.47Å; V66-F98 HydrophobicContact CG2-CE1 4.18Å; V66-F98 HydrophobicContact CG2-CZ 4.02Å; A91-F98 HydrophobicContact CB-CD1 4.36Å; A91-F98 HydrophobicContact CB-CE1 4.5Å; D95-F98 HydrophobicContact CB-CB 3.96Å; D95-F98 VanDerWaalsContact O-CB 3.3Å; D95-F98 WeakPolarHBondContact O-CB 3.48Å; D95-F98 PolarHBondContact O-N 3.08Å; D95-F98 VanDerWaalsContact O-N 3.09Å; F98-D100 HydrophobicContact CD2-CB 4.34Å; F98-D100 HydrophobicContact CE2-CB 3.89Å; F98-D100 PolarHBondContact O-N 3.41Å; F98-A101 HydrophobicContact CB-CB 4.08Å; F98-A101 HydrophobicContact CD1-CB 3.48Å; F98-A101 VanDerWaalsContact CD1-CB 3.48Å; F98-A101 HydrophobicContact CD2-CB 4.24Å; F98-A101 HydrophobicContact CE1-CB 3.9Å; F98-A101 HydrophobicContact CG-CB 3.66Å; F98-A101 HydrophobicContact CZ-CB 4.45Å; F98-A101 PolarHBondContact O-N 2.95Å; F98-Y102 WeakPolarHBondContact O-CD2 3.47Å; F98-Y102 PolarHBondContact O-N 3.39Å
99	L	89.6	Confident	91.8	Very high	40 Å²	40	38.7 Å²	38.7	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-51.4	-53.2	-177.2	178.4	62.3	0	0	0	113	N97 A101 Y102 I103 A125 L128	N97-L99 PolarHBondContact O-N 2.95Å; L99-A101 VanDerWaalsContact C-N 3.28Å; L99-A101 PolarHBondContact O-N 3.43Å; L99-Y102 PolarHBondContact O-N 2.83Å; L99-Y102 VanDerWaalsContact O-N 3.09Å; L99-I103 HydrophobicContact CD1-CD1 4.08Å; L99-I103 HydrophobicContact CD1-CG1 4.31Å; L99-I103 HydrophobicContact CG-CD1 3.97Å; L99-I103 WeakPolarHBondContact O-CG1 3.45Å; L99-I103 PolarHBondContact O-N 3.08Å; L99-A125 HydrophobicContact CD1-CB 3.72Å; L99-A125 VanDerWaalsContact CD1-O 3.29Å; L99-A125 WeakPolarHBondContact CD1-O 3.49Å; L99-L128 HydrophobicContact CD1-CB 4.25Å
100	D	87	Confident	91.4	Very high	73 Å²	73	36.4 Å²	36.4	39%	0.39	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-35	-175.7	-60.2	-32.4	0	0	0	112.5	F98 I103 N104	F98-D100 HydrophobicContact CD2-CB 4.34Å; F98-D100 HydrophobicContact CE2-CB 3.89Å; F98-D100 PolarHBondContact O-N 3.41Å; D100-I103 PolarHBondContact O-N 2.97Å; D100-N104 WeakPolarHBondContact O-CB 3.49Å; D100-N104 VanDerWaalsContact O-CG 3.27Å; D100-N104 PolarHBondContact O-N 2.83Å; D100-N104 PolarHBondContact O-ND2 3.48Å
101	A	88.2	Confident	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-37	176.6	0	0	0	0	0	111.9	A91 V92 F98 L99 L105	A91-A101 HydrophobicContact CB-CB 4Å; V92-A101 HydrophobicContact CG1-CB 3.6Å; F98-A101 HydrophobicContact CB-CB 4.08Å; F98-A101 HydrophobicContact CD1-CB 3.48Å; F98-A101 VanDerWaalsContact CD1-CB 3.48Å; F98-A101 HydrophobicContact CD2-CB 4.24Å; F98-A101 HydrophobicContact CE1-CB 3.9Å; F98-A101 HydrophobicContact CG-CB 3.66Å; F98-A101 HydrophobicContact CZ-CB 4.45Å; F98-A101 PolarHBondContact O-N 2.95Å; L99-A101 VanDerWaalsContact C-N 3.28Å; L99-A101 PolarHBondContact O-N 3.43Å; A101-L105 WeakPolarHBondContact O-CB 3.19Å; A101-L105 PolarHBondContact O-N 3.26Å
102	Y	93.9	Very high	90.9	Very high	32 Å²	32	38.4 Å²	38.4	13%	0.125	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-39.3	173.2	-79.5	-66.9	0	0	0	112.9	V92 P96 F98 L99 L105 G106 R124 L128	V92-Y102 HydrophobicContact CB-CD1 4.21Å; V92-Y102 HydrophobicContact CB-CD2 4.44Å; V92-Y102 HydrophobicContact CB-CE1 3.71Å; V92-Y102 HydrophobicContact CB-CE2 3.98Å; V92-Y102 HydrophobicContact CG1-CD1 3.73Å; V92-Y102 HydrophobicContact CG1-CD2 3.91Å; V92-Y102 HydrophobicContact CG1-CE1 3.78Å; V92-Y102 HydrophobicContact CG1-CE2 3.97Å; V92-Y102 HydrophobicContact CG1-CG 3.79Å; V92-Y102 HydrophobicContact CG2-CE1 3.98Å; P96-Y102 WeakPolarHBondContact O-CE2 3.23Å; F98-Y102 WeakPolarHBondContact O-CD2 3.47Å; F98-Y102 PolarHBondContact O-N 3.39Å; L99-Y102 PolarHBondContact O-N 2.83Å; L99-Y102 VanDerWaalsContact O-N 3.09Å; Y102-L105 PolarHBondContact O-N 2.65Å; Y102-G106 PolarHBondContact O-N 3.03Å; Y102-R124 HydrophobicContact CD1-CB 4.02Å; Y102-R124 HydrophobicContact CD1-CG 3.83Å; Y102-R124 HydrophobicContact CD2-CG 3.98Å; Y102-R124 HydrophobicContact CE1-CB 4.06Å; Y102-R124 HydrophobicContact CE1-CG 3.51Å; Y102-R124 HydrophobicContact CE2-CG 3.65Å; Y102-R124 HydrophobicContact CG-CB 4.37Å; Y102-R124 HydrophobicContact CG-CG 4.06Å; Y102-L128 HydrophobicContact CD2-CD1 3.94Å; Y102-L128 HydrophobicContact CE2-CD1 4.2Å
103	I	91.5	Very high	90.6	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-49.3	176	-62.5	175.1	0	0	0	110	F35 L99 D100 G106 N107 A125 V135	F35-I103 HydrophobicContact CE2-CD1 4.29Å; L99-I103 HydrophobicContact CD1-CD1 4.08Å; L99-I103 HydrophobicContact CD1-CG1 4.31Å; L99-I103 HydrophobicContact CG-CD1 3.97Å; L99-I103 WeakPolarHBondContact O-CG1 3.45Å; L99-I103 PolarHBondContact O-N 3.08Å; D100-I103 PolarHBondContact O-N 2.97Å; I103-G106 PolarHBondContact O-N 3.12Å; I103-N107 VanDerWaalsContact O-CG 3.29Å; I103-N107 PolarHBondContact O-N 3.3Å; I103-A125 HydrophobicContact CG1-CB 3.89Å; I103-V135 HydrophobicContact CD1-CG2 3.45Å; I103-V135 VanDerWaalsContact CD1-CG2 3.45Å; I103-V135 HydrophobicContact CG1-CG2 3.59Å; I103-V135 HydrophobicContact CG2-CG2 4.45Å
104	N	90.6	Very high	90.5	Very high	40 Å²	40	43 Å²	43	21%	0.214	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-39	179.2	-70.3	-35.5	0	0	0	112.3	F88 D100 G106 N107 V108	F88-N104 HydrophobicContact CD1-CB 3.96Å; F88-N104 HydrophobicContact CE1-CB 3.48Å; F88-N104 VanDerWaalsContact CE1-CB 3.48Å; F88-N104 HydrophobicContact CE2-CB 4.17Å; F88-N104 HydrophobicContact CG-CB 4.5Å; F88-N104 HydrophobicContact CZ-CB 3.61Å; D100-N104 WeakPolarHBondContact O-CB 3.49Å; D100-N104 VanDerWaalsContact O-CG 3.27Å; D100-N104 PolarHBondContact O-N 2.83Å; D100-N104 PolarHBondContact O-ND2 3.48Å; N104-G106 VanDerWaalsContact C-N 3.35Å; N104-G106 PolarHBondContact O-N 3.33Å; N104-N107 PolarHBondContact O-N 3.15Å; N104-V108 WeakPolarHBondContact O-CG2 3.37Å; N104-V108 PolarHBondContact O-N 2.88Å
105	L	93.1	Very high	90.5	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-46.8	172.1	-178.1	56.6	0	0	0	111.1	I85 F88 E89 V92 A101 Y102 N107 V108 L109 A121	I85-L105 HydrophobicContact CG2-CD1 4.21Å; F88-L105 HydrophobicContact CB-CB 3.92Å; F88-L105 HydrophobicContact CB-CD1 3.85Å; F88-L105 HydrophobicContact CB-CG 4.38Å; E89-L105 HydrophobicContact CG-CD1 4Å; E89-L105 HydrophobicContact CG-CD2 4.28Å; V92-L105 HydrophobicContact CG2-CD2 4.12Å; A101-L105 WeakPolarHBondContact O-CB 3.19Å; A101-L105 PolarHBondContact O-N 3.26Å; Y102-L105 PolarHBondContact O-N 2.65Å; L105-N107 PolarHBondContact O-N 3.28Å; L105-V108 PolarHBondContact O-N 3.43Å; L105-L109 HydrophobicContact CD1-CD1 3.69Å; L105-L109 HydrophobicContact CD1-CG 3.98Å; L105-L109 HydrophobicContact CD2-CD1 4.48Å; L105-L109 HydrophobicContact CG-CD1 3.64Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 VanDerWaalsContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 WeakPolarHBondContact O-CD1 3.46Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.36Å; L105-A121 HydrophobicContact CB-CB 4.42Å; L105-A121 HydrophobicContact CD2-CB 4.36Å; L105-A121 HydrophobicContact CG-CB 4.23Å
106	G	92.7	Very high	90.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-43.2	176.3	0	0	0	0	0	112.8	Y102 I103 N104 L109 K110 Y122	Y102-G106 PolarHBondContact O-N 3.03Å; I103-G106 PolarHBondContact O-N 3.12Å; N104-G106 VanDerWaalsContact C-N 3.35Å; N104-G106 PolarHBondContact O-N 3.33Å; G106-L109 PolarHBondContact O-N 3.01Å; G106-K110 WeakPolarHBondContact O-CB 3.4Å; G106-K110 PolarHBondContact O-N 2.83Å; G106-Y122 PolarHBondContact O-OH 3.2Å
107	N	90.1	Very high	90.6	Very high	24 Å²	24	47.2 Å²	47.2	13%	0.128	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-49.3	178.6	-69.3	-20.2	0	0	0	111.6	I103 N104 L105 K110 E111 Y122 N138	I103-N107 VanDerWaalsContact O-CG 3.29Å; I103-N107 PolarHBondContact O-N 3.3Å; N104-N107 PolarHBondContact O-N 3.15Å; L105-N107 PolarHBondContact O-N 3.28Å; N107-K110 WeakPolarHBondContact O-CB 3.43Å; N107-K110 PolarHBondContact O-N 2.93Å; N107-E111 PolarHBondContact O-N 3.42Å; N107-Y122 VanDerWaalsContact CA-OH 3.22Å; N107-Y122 WeakPolarHBondContact CA-OH 3.4Å; N107-Y122 PolarHBondContact N-OH 2.85Å; N107-Y122 VanDerWaalsContact N-OH 3.11Å; N107-Y122 PolarHBondContact OD1-OH 2.61Å; N107-N138 PolarHBondContact OD1-ND2 3Å; N107-N138 VanDerWaalsContact OD1-ND2 3.09Å
108	V	90.7	Very high	90.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-69.8	-35.9	-179.4	-179.9	0	0	0	0	111.8	N76 I81 A84 I85 F88 N104 L105 K110 E111 A112	N76-V108 HydrophobicContact CB-CG2 4.24Å; N76-V108 VanDerWaalsContact CG-CG2 3.49Å; N76-V108 WeakPolarHBondContact OD1-CG2 3.26Å; I81-V108 HydrophobicContact CG2-CG1 3.85Å; A84-V108 HydrophobicContact CB-CG1 4.13Å; I85-V108 HydrophobicContact CD1-CG1 4.21Å; I85-V108 HydrophobicContact CG1-CB 4.37Å; I85-V108 HydrophobicContact CG1-CG1 3.58Å; F88-V108 HydrophobicContact CD2-CG2 4.24Å; F88-V108 HydrophobicContact CE2-CG2 3.75Å; N104-V108 WeakPolarHBondContact O-CG2 3.37Å; N104-V108 PolarHBondContact O-N 2.88Å; L105-V108 PolarHBondContact O-N 3.43Å; V108-K110 VanDerWaalsContact C-N 3.33Å; V108-E111 PolarHBondContact O-N 3.25Å; V108-A112 WeakPolarHBondContact O-CB 3.35Å; V108-A112 PolarHBondContact O-N 2.96Å
109	L	91.9	Very high	90.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-36.1	174.9	-72.6	168.8	0	0	0	112.4	I85 L105 G106 A112 R113 I114 R117 A118 A121	I85-L109 HydrophobicContact CD1-CD2 3.88Å; I85-L109 HydrophobicContact CG1-CD2 4.08Å; I85-L109 HydrophobicContact CG2-CD2 4.03Å; L105-L109 HydrophobicContact CD1-CD1 3.69Å; L105-L109 HydrophobicContact CD1-CG 3.98Å; L105-L109 HydrophobicContact CD2-CD1 4.48Å; L105-L109 HydrophobicContact CG-CD1 3.64Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 VanDerWaalsContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 WeakPolarHBondContact O-CD1 3.46Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.36Å; G106-L109 PolarHBondContact O-N 3.01Å; L109-A112 PolarHBondContact O-N 3.01Å; L109-R113 PolarHBondContact O-N 2.77Å; L109-I114 HydrophobicContact CD2-CB 4.2Å; L109-I114 HydrophobicContact CD2-CD1 4.06Å; L109-I114 PolarHBondContact O-N 3.13Å; L109-R117 HydrophobicContact CD1-CB 3.72Å; L109-R117 HydrophobicContact CD2-CB 4.19Å; L109-R117 HydrophobicContact CG-CB 4.47Å; L109-A118 HydrophobicContact CB-CB 3.77Å; L109-A121 HydrophobicContact CD1-CB 4.46Å
110	K	86.9	Confident	91.1	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.039	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-48.6	171.2	177.1	-168.6	176.3	-157.4	0	110.5	G106 N107 V108 A112 R113 A118 V142 E145	G106-K110 WeakPolarHBondContact O-CB 3.4Å; G106-K110 PolarHBondContact O-N 2.83Å; N107-K110 WeakPolarHBondContact O-CB 3.43Å; N107-K110 PolarHBondContact O-N 2.93Å; V108-K110 VanDerWaalsContact C-N 3.33Å; K110-A112 VanDerWaalsContact C-N 3.25Å; K110-A112 PolarHBondContact O-N 3.35Å; K110-R113 WeakPolarHBondContact O-CA 3.48Å; K110-R113 PolarHBondContact O-N 3.32Å; K110-A118 HydrophobicContact CB-CB 4.31Å; K110-V142 HydrophobicContact CB-CG2 4.09Å; K110-V142 HydrophobicContact CD-CG2 3.94Å; K110-V142 HydrophobicContact CG-CG2 3.88Å; K110-E145 WeakPolarHBondContact CE-OE1 3.43Å; K110-E145 IonicContact NZ-OE1 3.67Å; K110-E145 PolarHBondContact NZ-OE1 3.41Å
111	E	86.4	Confident	91.4	Very high	104 Å²	104	39.5 Å²	39.5	49%	0.486	20%	0.196	S	C	.	.	H	α-helix	trans	-59.1	-38.5	178.3	-171.6	175.1	175.9	0	0	111.9	I81 N107 V108 R113	I81-E111 HydrophobicContact CD1-CG 4.36Å; N107-E111 PolarHBondContact O-N 3.42Å; V108-E111 PolarHBondContact O-N 3.25Å; E111-R113 PolarHBondContact O-N 2.86Å
112	A	87.3	Confident	91.8	Very high	29 Å²	29	39.5 Å²	39.5	24%	0.24	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-1.3	172.8	0	0	0	0	0	114.5	I81 I85 V108 L109 K110 I114	I81-A112 HydrophobicContact CG2-CB 3.78Å; I85-A112 HydrophobicContact CD1-CB 4.08Å; V108-A112 WeakPolarHBondContact O-CB 3.35Å; V108-A112 PolarHBondContact O-N 2.96Å; L109-A112 PolarHBondContact O-N 3.01Å; K110-A112 VanDerWaalsContact C-N 3.25Å; K110-A112 PolarHBondContact O-N 3.35Å; A112-I114 VanDerWaalsContact C-N 3.26Å; A112-I114 HydrophobicContact CB-CD1 3.96Å; A112-I114 HydrophobicContact CB-CG1 3.93Å; A112-I114 PolarHBondContact O-N 3.28Å
113	R	88.3	Confident	91.8	Very high	167 Å²	167	42 Å²	42	63%	0.63	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	30.3	-174.3	-61.2	-173.1	169.7	-160.7	-3.8	114.9	L109 K110 E111 F115	L109-R113 PolarHBondContact O-N 2.77Å; K110-R113 WeakPolarHBondContact O-CA 3.48Å; K110-R113 PolarHBondContact O-N 3.32Å; E111-R113 PolarHBondContact O-N 2.86Å; R113-F115 VanDerWaalsContact C-N 3.35Å; R113-F115 HydrophobicContact CB-CE1 4.38Å; R113-F115 HydrophobicContact CB-CE2 4.44Å; R113-F115 HydrophobicContact CB-CZ 4.08Å; R113-F115 HydrophobicContact CG-CE1 4.48Å; R113-F115 HydrophobicContact CG-CZ 4.11Å; R113-F115 PolarHBondContact O-N 3.34Å
114	I	92.4	Very high	92	Very high	43 Å²	43	46.2 Å²	46.2	22%	0.221	23%	0.227	C	C	.	.			trans	-96.5	67.1	176.1	-46	174	0	0	0	108.9	W82 I85 L109 A112 D116 R117 A118	W82-I114 HydrophobicContact CH2-CD1 3.73Å; W82-I114 HydrophobicContact CZ3-CD1 3.69Å; I85-I114 HydrophobicContact CD1-CD1 4.33Å; L109-I114 HydrophobicContact CD2-CB 4.2Å; L109-I114 HydrophobicContact CD2-CD1 4.06Å; L109-I114 PolarHBondContact O-N 3.13Å; A112-I114 VanDerWaalsContact C-N 3.26Å; A112-I114 HydrophobicContact CB-CD1 3.96Å; A112-I114 HydrophobicContact CB-CG1 3.93Å; A112-I114 PolarHBondContact O-N 3.28Å; I114-D116 PolarHBondContact O-N 3.44Å; I114-R117 HydrophobicContact CG2-CB 4.08Å; I114-R117 HydrophobicContact CG2-CG 3.84Å; I114-R117 PolarHBondContact O-N 3.06Å; I114-A118 PolarHBondContact O-N 2.85Å
115	F	91.8	Very high	92.1	Very high	42 Å²	42	44.3 Å²	44.3	18%	0.184	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-41.6	-164.4	-60.4	-47.8	0	0	0	114.4	R113 R117 A118 V119 V142 E145 Q146	R113-F115 VanDerWaalsContact C-N 3.35Å; R113-F115 HydrophobicContact CB-CE1 4.38Å; R113-F115 HydrophobicContact CB-CE2 4.44Å; R113-F115 HydrophobicContact CB-CZ 4.08Å; R113-F115 HydrophobicContact CG-CE1 4.48Å; R113-F115 HydrophobicContact CG-CZ 4.11Å; R113-F115 PolarHBondContact O-N 3.34Å; F115-R117 VanDerWaalsContact C-N 3.26Å; F115-R117 PolarHBondContact O-N 3.45Å; F115-A118 WeakPolarHBondContact O-CB 3.36Å; F115-A118 PolarHBondContact O-N 2.77Å; F115-A118 VanDerWaalsContact O-N 3.08Å; F115-V119 WeakPolarHBondContact O-CG2 3.37Å; F115-V119 PolarHBondContact O-N 3.25Å; F115-V142 HydrophobicContact CB-CG1 3.85Å; F115-V142 HydrophobicContact CD1-CG1 3.8Å; F115-V142 HydrophobicContact CG-CG1 4.14Å; F115-E145 HydrophobicContact CE1-CB 4.07Å; F115-E145 WeakPolarHBondContact CE1-OE2 3.47Å; F115-E145 HydrophobicContact CZ-CB 3.86Å; F115-E145 WeakPolarHBondContact CZ-OE2 3.45Å; F115-Q146 HydrophobicContact CB-CG 3.78Å; F115-Q146 HydrophobicContact CD2-CG 3.83Å; F115-Q146 HydrophobicContact CG-CG 3.91Å
116	D	91.5	Very high	92.2	Very high	131 Å²	131	44.7 Å²	44.7	70%	0.701	22%	0.218	S	C	*	.	H	α-helix	trans	-59.5	-39.5	-178.8	-60.1	-29.7	0	0	0	112.2	I114 A120 Q146	I114-D116 PolarHBondContact O-N 3.44Å; D116-A120 PolarHBondContact O-N 3.09Å; D116-A120 VanDerWaalsContact O-N 3.1Å; D116-Q146 PolarHBondContact OD1-NE2 2.93Å
117	R	94.6	Very high	92.3	Very high	107 Å²	107	48 Å²	48	40%	0.404	24%	0.241	S	C	.	.	H	α-helix	trans	-75.9	-35.4	177.5	-60.2	168	106.2	-119.2	-135.6	111.3	E89 L109 I114 F115 A120 A121	E89-R117 IonicContact OE1-CZ 3.09Å; E89-R117 IonicContact OE1-NH1 2.73Å; E89-R117 PolarHBondContact OE1-NH1 3.3Å; E89-R117 IonicContact OE1-NH2 3.38Å; E89-R117 PolarHBondContact OE1-NH2 2.97Å; L109-R117 HydrophobicContact CD1-CB 3.72Å; L109-R117 HydrophobicContact CD2-CB 4.19Å; L109-R117 HydrophobicContact CG-CB 4.47Å; I114-R117 HydrophobicContact CG2-CB 4.08Å; I114-R117 HydrophobicContact CG2-CG 3.84Å; I114-R117 PolarHBondContact O-N 3.06Å; F115-R117 VanDerWaalsContact C-N 3.26Å; F115-R117 PolarHBondContact O-N 3.45Å; R117-A120 PolarHBondContact O-N 3.23Å; R117-A121 WeakPolarHBondContact O-CB 3.42Å; R117-A121 PolarHBondContact O-N 2.92Å
118	A	93.8	Very high	92.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-47	175	0	0	0	0	0	110.8	L109 K110 I114 F115 A120 A121 Y122 V142	L109-A118 HydrophobicContact CB-CB 3.77Å; K110-A118 HydrophobicContact CB-CB 4.31Å; I114-A118 PolarHBondContact O-N 2.85Å; F115-A118 WeakPolarHBondContact O-CB 3.36Å; F115-A118 PolarHBondContact O-N 2.77Å; F115-A118 VanDerWaalsContact O-N 3.08Å; A118-A120 PolarHBondContact O-N 3.02Å; A118-A121 PolarHBondContact O-N 2.95Å; A118-Y122 HydrophobicContact CB-CE2 4.32Å; A118-Y122 WeakPolarHBondContact O-CD2 3.42Å; A118-Y122 PolarHBondContact O-N 2.78Å; A118-V142 HydrophobicContact CB-CG2 4.32Å
119	V	95.3	Very high	92.5	Very high	20 Å²	20	51.2 Å²	51.2	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-47.9	173.8	171.6	0	0	0	0	110.5	F115 A121 Y122 L123 L139 V142 Y143	F115-V119 WeakPolarHBondContact O-CG2 3.37Å; F115-V119 PolarHBondContact O-N 3.25Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.04Å; V119-Y122 PolarHBondContact O-N 2.81Å; V119-L123 HydrophobicContact CG1-CD1 3.68Å; V119-L123 HydrophobicContact CG1-CG 4.09Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.47Å; V119-L123 PolarHBondContact O-N 3.42Å; V119-L139 HydrophobicContact CB-CD1 4.29Å; V119-L139 HydrophobicContact CG1-CD1 4.09Å; V119-L139 HydrophobicContact CG2-CD1 4.05Å; V119-V142 HydrophobicContact CG2-CB 4.33Å; V119-V142 HydrophobicContact CG2-CG1 3.61Å; V119-Y143 HydrophobicContact CG1-CE1 4.09Å; V119-Y143 HydrophobicContact CG2-CD1 4.38Å; V119-Y143 HydrophobicContact CG2-CE1 3.94Å
120	A	94.6	Very high	92.5	Very high	58 Å²	58	54.8 Å²	54.8	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-42.1	178.3	0	0	0	0	0	112.6	D116 R117 A118 R124	D116-A120 PolarHBondContact O-N 3.09Å; D116-A120 VanDerWaalsContact O-N 3.1Å; R117-A120 PolarHBondContact O-N 3.23Å; A118-A120 PolarHBondContact O-N 3.02Å; A120-R124 WeakPolarHBondContact O-CB 3.5Å; A120-R124 PolarHBondContact O-N 3.17Å
121	A	94.4	Very high	92.7	Very high	5 Å²	5	59.6 Å²	59.6	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-44.4	177.2	0	0	0	0	0	112.1	L105 L109 R117 A118 V119 R124 A125	L105-A121 HydrophobicContact CB-CB 4.42Å; L105-A121 HydrophobicContact CD2-CB 4.36Å; L105-A121 HydrophobicContact CG-CB 4.23Å; L109-A121 HydrophobicContact CD1-CB 4.46Å; R117-A121 WeakPolarHBondContact O-CB 3.42Å; R117-A121 PolarHBondContact O-N 2.92Å; A118-A121 PolarHBondContact O-N 2.95Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.04Å; A121-R124 PolarHBondContact O-N 2.96Å; A121-A125 PolarHBondContact O-N 3.44Å
122	Y	95.4	Very high	92.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.1	-42	176.8	-67.4	-51.1	0	0	0	113.1	G106 N107 A118 V119 R124 A125 L126 V135 N138 L139 V142	G106-Y122 PolarHBondContact O-OH 3.2Å; N107-Y122 VanDerWaalsContact CA-OH 3.22Å; N107-Y122 WeakPolarHBondContact CA-OH 3.4Å; N107-Y122 PolarHBondContact N-OH 2.85Å; N107-Y122 VanDerWaalsContact N-OH 3.11Å; N107-Y122 PolarHBondContact OD1-OH 2.61Å; A118-Y122 HydrophobicContact CB-CE2 4.32Å; A118-Y122 WeakPolarHBondContact O-CD2 3.42Å; A118-Y122 PolarHBondContact O-N 2.78Å; V119-Y122 PolarHBondContact O-N 2.81Å; Y122-R124 PolarHBondContact O-N 2.89Å; Y122-A125 WeakPolarHBondContact O-CB 3.44Å; Y122-A125 PolarHBondContact O-N 3.4Å; Y122-A125 VanDerWaalsContact O-N 3.16Å; Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 3.16Å; Y122-V135 HydrophobicContact CD1-CG1 3.97Å; Y122-V135 HydrophobicContact CG-CG1 4.42Å; Y122-N138 HydrophobicContact CE1-CB 3.83Å; Y122-N138 HydrophobicContact CE2-CB 4.4Å; Y122-L139 HydrophobicContact CD2-CB 4.33Å; Y122-L139 HydrophobicContact CD2-CD1 4.27Å; Y122-L139 HydrophobicContact CG-CB 4.38Å; Y122-V142 HydrophobicContact CD2-CG2 4.25Å; Y122-V142 HydrophobicContact CE2-CG2 3.7Å
123	L	95.6	Very high	93.1	Very high	84 Å²	84	55.1 Å²	55.1	44%	0.44	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-36.8	174.8	-71.6	177	0	0	0	111.2	V119 L126 S127 L139	V119-L123 HydrophobicContact CG1-CD1 3.68Å; V119-L123 HydrophobicContact CG1-CG 4.09Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.47Å; V119-L123 PolarHBondContact O-N 3.42Å; L123-L126 PolarHBondContact O-N 2.98Å; L123-S127 PolarHBondContact O-N 3.46Å; L123-L139 HydrophobicContact CD2-CD2 3.86Å; L123-L139 HydrophobicContact CG-CD2 4.49Å
124	R	94.9	Very high	93.1	Very high	94 Å²	94	48.2 Å²	48.2	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-44.3	173.4	-174.4	59.4	-176	162.4	3.8	111.6	P96 Y102 A120 A121 Y122 L126 S127 L128	P96-R124 PolarHBondContact O-NH2 2.89Å; P96-R124 VanDerWaalsContact O-NH2 3.14Å; Y102-R124 HydrophobicContact CD1-CB 4.02Å; Y102-R124 HydrophobicContact CD1-CG 3.83Å; Y102-R124 HydrophobicContact CD2-CG 3.98Å; Y102-R124 HydrophobicContact CE1-CB 4.06Å; Y102-R124 HydrophobicContact CE1-CG 3.51Å; Y102-R124 HydrophobicContact CE2-CG 3.65Å; Y102-R124 HydrophobicContact CG-CB 4.37Å; Y102-R124 HydrophobicContact CG-CG 4.06Å; A120-R124 WeakPolarHBondContact O-CB 3.5Å; A120-R124 PolarHBondContact O-N 3.17Å; A121-R124 PolarHBondContact O-N 2.96Å; Y122-R124 PolarHBondContact O-N 2.89Å; R124-L126 VanDerWaalsContact C-N 3.32Å; R124-L126 PolarHBondContact O-N 2.85Å; R124-S127 PolarHBondContact NH1-OG 2.92Å; R124-S127 WeakPolarHBondContact O-CB 3.5Å; R124-S127 PolarHBondContact O-N 3.06Å; R124-S127 VanDerWaalsContact O-N 3.14Å; R124-S127 PolarHBondContact O-OG 3.22Å; R124-L128 PolarHBondContact O-N 3.35Å
125	A	93.6	Very high	93	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-42.8	172.4	0	0	0	0	0	112.1	L99 I103 A121 Y122 S127 L128 S129 V135	L99-A125 HydrophobicContact CD1-CB 3.72Å; L99-A125 VanDerWaalsContact CD1-O 3.29Å; L99-A125 WeakPolarHBondContact CD1-O 3.49Å; I103-A125 HydrophobicContact CG1-CB 3.89Å; A121-A125 PolarHBondContact O-N 3.44Å; Y122-A125 WeakPolarHBondContact O-CB 3.44Å; Y122-A125 PolarHBondContact O-N 3.4Å; Y122-A125 VanDerWaalsContact O-N 3.16Å; A125-S127 VanDerWaalsContact C-N 3.33Å; A125-S127 PolarHBondContact O-N 3.38Å; A125-L128 WeakPolarHBondContact O-CB 3.18Å; A125-L128 PolarHBondContact O-N 3Å; A125-L128 VanDerWaalsContact O-N 3.16Å; A125-S129 PolarHBondContact O-N 2.88Å; A125-V135 HydrophobicContact CB-CG1 4.06Å
126	L	93.9	Very high	93.1	Very high	18 Å²	18	45.3 Å²	45.3	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-28.5	175.9	-69	175.3	0	0	0	113.1	Y122 L123 R124 L128 S129 P130 H132 V135 H136 L139	Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 3.16Å; L123-L126 PolarHBondContact O-N 2.98Å; R124-L126 VanDerWaalsContact C-N 3.32Å; R124-L126 PolarHBondContact O-N 2.85Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.14Å; L126-S129 CarbonylContact O-C 3.21Å; L126-S129 PolarHBondContact O-N 3.17Å; L126-P130 WeakPolarHBondContact O-CA 3.27Å; L126-P130 WeakPolarHBondContact O-CD 3.34Å; L126-P130 WeakPolarHBondContact O-CG 3.39Å; L126-H132 HydrophobicContact CD2-CB 4.46Å; L126-V135 HydrophobicContact CD1-CG1 4.27Å; L126-V135 HydrophobicContact CD2-CB 3.78Å; L126-V135 HydrophobicContact CD2-CG1 3.67Å; L126-V135 HydrophobicContact CG-CB 4.29Å; L126-V135 HydrophobicContact CG-CG1 3.6Å; L126-H136 WeakPolarHBondContact CD2-NE2 3.29Å; L126-L139 HydrophobicContact CD1-CD2 3.73Å
127	S	94.4	Very high	93.1	Very high	69 Å²	69	39.1 Å²	39.1	48%	0.483	22%	0.215	S	C	.	.	H	α-helix	trans	-67.4	-29.7	172.3	78.1	0	0	0	0	112.6	L123 R124 A125	L123-S127 PolarHBondContact O-N 3.46Å; R124-S127 PolarHBondContact NH1-OG 2.92Å; R124-S127 WeakPolarHBondContact O-CB 3.5Å; R124-S127 PolarHBondContact O-N 3.06Å; R124-S127 VanDerWaalsContact O-N 3.14Å; R124-S127 PolarHBondContact O-OG 3.22Å; A125-S127 VanDerWaalsContact C-N 3.33Å; A125-S127 PolarHBondContact O-N 3.38Å
128	L	92.4	Very high	92.9	Very high	55 Å²	55	34 Å²	34	29%	0.288	20%	0.196	S	C	.	.	H	α-helix	trans	-82.8	-36.5	175.8	-62.3	172.1	0	0	0	111.7	N97 L99 Y102 R124 A125 L126	N97-L128 HydrophobicContact CB-CD2 4.32Å; L99-L128 HydrophobicContact CD1-CB 4.25Å; Y102-L128 HydrophobicContact CD2-CD1 3.94Å; Y102-L128 HydrophobicContact CE2-CD1 4.2Å; R124-L128 PolarHBondContact O-N 3.35Å; A125-L128 WeakPolarHBondContact O-CB 3.18Å; A125-L128 PolarHBondContact O-N 3Å; A125-L128 VanDerWaalsContact O-N 3.16Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.14Å
129	S	93.5	Very high	92.9	Very high	38 Å²	38	34.2 Å²	34.2	27%	0.266	20%	0.197	S	C	.	.			trans	-138.9	88.8	177.3	-171	0	0	0	0	111.5	A125 L126 N131 H132	A125-S129 PolarHBondContact O-N 2.88Å; L126-S129 CarbonylContact O-C 3.21Å; L126-S129 PolarHBondContact O-N 3.17Å; S129-N131 VanDerWaalsContact C-N 3.25Å; S129-N131 PolarHBondContact O-N 3.41Å; S129-H132 PolarHBondContact O-N 3.5Å
130	P	90.8	Very high	92.8	Very high	78 Å²	78	33.2 Å²	33.2	51%	0.506	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.1	-173.6	-25.7	34.8	0	0	0	115.2	L126 H136	L126-P130 WeakPolarHBondContact O-CA 3.27Å; L126-P130 WeakPolarHBondContact O-CD 3.34Å; L126-P130 WeakPolarHBondContact O-CG 3.39Å; P130-H136 PolarHBondContact O-NE2 2.82Å
131	N	92.3	Very high	92.6	Very high	110 Å²	110	30.5 Å²	30.5	59%	0.588	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	24.5	-174.9	-68.3	-19.3	0	0	0	112.9	S129 A133 L162	S129-N131 VanDerWaalsContact C-N 3.25Å; S129-N131 PolarHBondContact O-N 3.41Å; N131-A133 PolarHBondContact O-N 3Å; N131-L162 HydrophobicContact CB-CD2 3.89Å
132	H	91	Very high	92.5	Very high	32 Å²	32	30.2 Å²	30.2	15%	0.148	17%	0.166	C	C	.	.			trans	-88.3	94	-178	-159	-48.8	0	0	0	112.2	F35 L126 S129 V134 V135 H136	F35-H132 AromaticContact CE2-CE1 3.8Å; F35-H132 AromaticContact CE2-NE2 3.61Å; L126-H132 HydrophobicContact CD2-CB 4.46Å; S129-H132 PolarHBondContact O-N 3.5Å; H132-V134 PolarHBondContact O-N 3.42Å; H132-V135 HydrophobicContact CB-CB 4.2Å; H132-V135 HydrophobicContact CB-CG2 4.06Å; H132-V135 PolarHBondContact O-N 2.95Å; H132-H136 PolarHBondContact O-CD2 3.2Å; H132-H136 PolarHBondContact O-N 2.79Å
133	A	90.4	Very high	92.4	Very high	6 Å²	6	31.5 Å²	31.5	5%	0.05	17%	0.171	C	C	.	.	H	α-helix	trans	-51.7	-46.5	-176	0	0	0	0	0	114.1	N131 V135 H136 G137 A159 L162 Q163 F166	N131-A133 PolarHBondContact O-N 3Å; A133-V135 VanDerWaalsContact C-N 3.31Å; A133-V135 PolarHBondContact O-N 3.33Å; A133-H136 PolarHBondContact O-N 2.93Å; A133-G137 PolarHBondContact O-N 3.29Å; A133-A159 WeakPolarHBondContact CB-O 3.32Å; A133-A159 WeakPolarHBondContact O-CB 3.32Å; A133-L162 HydrophobicContact CB-CB 3.85Å; A133-Q163 HydrophobicContact CB-CB 3.57Å; A133-F166 HydrophobicContact CB-CE1 4.49Å
134	V	89.1	Confident	92.1	Very high	22 Å²	22	29.2 Å²	29.2	13%	0.133	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-37.3	178.9	171.7	0	0	0	0	112.9	F33 H132 G137 N138 F166	F33-V134 HydrophobicContact CB-CG1 3.7Å; H132-V134 PolarHBondContact O-N 3.42Å; V134-G137 PolarHBondContact O-N 2.93Å; V134-N138 PolarHBondContact O-N 2.8Å; V134-F166 HydrophobicContact CG2-CE1 4.43Å; V134-F166 HydrophobicContact CG2-CZ 4.08Å
135	V	91	Very high	91.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-74.2	-39.6	180	-179.4	0	0	0	0	110.7	I103 Y122 A125 L126 H132 A133 G137 N138 L139	I103-V135 HydrophobicContact CD1-CG2 3.45Å; I103-V135 VanDerWaalsContact CD1-CG2 3.45Å; I103-V135 HydrophobicContact CG1-CG2 3.59Å; I103-V135 HydrophobicContact CG2-CG2 4.45Å; Y122-V135 HydrophobicContact CD1-CG1 3.97Å; Y122-V135 HydrophobicContact CG-CG1 4.42Å; A125-V135 HydrophobicContact CB-CG1 4.06Å; L126-V135 HydrophobicContact CD1-CG1 4.27Å; L126-V135 HydrophobicContact CD2-CB 3.78Å; L126-V135 HydrophobicContact CD2-CG1 3.67Å; L126-V135 HydrophobicContact CG-CB 4.29Å; L126-V135 HydrophobicContact CG-CG1 3.6Å; H132-V135 HydrophobicContact CB-CB 4.2Å; H132-V135 HydrophobicContact CB-CG2 4.06Å; H132-V135 PolarHBondContact O-N 2.95Å; A133-V135 VanDerWaalsContact C-N 3.31Å; A133-V135 PolarHBondContact O-N 3.33Å; V135-G137 VanDerWaalsContact C-N 3.31Å; V135-G137 PolarHBondContact O-N 2.95Å; V135-N138 PolarHBondContact O-N 2.81Å; V135-L139 VanDerWaalsContact O-CB 3.24Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 PolarHBondContact O-N 3Å
136	H	93.3	Very high	91.6	Very high	25 Å²	25	31.3 Å²	31.3	12%	0.116	17%	0.171	C	C	.	.	H	α-helix	trans	-57.7	-45.8	169.1	-77.8	-74.1	0	0	0	110.8	L126 P130 H132 A133 L139 A140 T155 A159 L162	L126-H136 WeakPolarHBondContact CD2-NE2 3.29Å; P130-H136 PolarHBondContact O-NE2 2.82Å; H132-H136 PolarHBondContact O-CD2 3.2Å; H132-H136 PolarHBondContact O-N 2.79Å; A133-H136 PolarHBondContact O-N 2.93Å; H136-L139 PolarHBondContact O-N 3.42Å; H136-A140 WeakPolarHBondContact O-CB 3.22Å; H136-A140 PolarHBondContact O-N 3.26Å; H136-T155 HydrophobicContact CB-CG2 4.19Å; H136-T155 WeakPolarHBondContact O-CG2 3.49Å; H136-A159 HydrophobicContact CB-CB 3.85Å; H136-L162 VanDerWaalsContact CD2-CD1 3.45Å; H136-L162 WeakPolarHBondContact CD2-CD1 3.4Å
137	G	90.4	Very high	91.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-47	176.6	0	0	0	0	0	113.5	A133 V134 V135 A140 C141 Y156	A133-G137 PolarHBondContact O-N 3.29Å; V134-G137 PolarHBondContact O-N 2.93Å; V135-G137 VanDerWaalsContact C-N 3.31Å; V135-G137 PolarHBondContact O-N 2.95Å; G137-A140 WeakPolarHBondContact O-CB 3.36Å; G137-A140 PolarHBondContact O-N 3.2Å; G137-C141 PolarHBondContact O-N 2.92Å; G137-C141 VanDerWaalsContact O-N 3.09Å; G137-C141 PolarHBondContact O-SG 3.5Å; G137-Y156 WeakPolarHBondContact O-CE1 3.15Å
138	N	90.8	Very high	91.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-36.8	178.5	-77.3	-18.2	0	0	0	112.3	F33 N107 Y122 V134 V135 C141 V142	F33-N138 WeakPolarHBondContact CD2-OD1 3.44Å; F33-N138 PolarHBondContact N-OD1 3.1Å; F33-N138 VanDerWaalsContact N-OD1 3.17Å; N107-N138 PolarHBondContact OD1-ND2 3Å; N107-N138 VanDerWaalsContact OD1-ND2 3.09Å; Y122-N138 HydrophobicContact CE1-CB 3.83Å; Y122-N138 HydrophobicContact CE2-CB 4.4Å; V134-N138 PolarHBondContact O-N 2.8Å; V135-N138 PolarHBondContact O-N 2.81Å; N138-C141 WeakPolarHBondContact O-CB 3.43Å; N138-C141 PolarHBondContact O-N 2.93Å; N138-V142 PolarHBondContact O-N 3Å
139	L	93.7	Very high	91.1	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-44.1	173.2	176.8	59.6	0	0	0	111.4	V119 Y122 L123 L126 V135 H136 C141 V142 Y143 T155	V119-L139 HydrophobicContact CB-CD1 4.29Å; V119-L139 HydrophobicContact CG1-CD1 4.09Å; V119-L139 HydrophobicContact CG2-CD1 4.05Å; Y122-L139 HydrophobicContact CD2-CB 4.33Å; Y122-L139 HydrophobicContact CD2-CD1 4.27Å; Y122-L139 HydrophobicContact CG-CB 4.38Å; L123-L139 HydrophobicContact CD2-CD2 3.86Å; L123-L139 HydrophobicContact CG-CD2 4.49Å; L126-L139 HydrophobicContact CD1-CD2 3.73Å; V135-L139 VanDerWaalsContact O-CB 3.24Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 PolarHBondContact O-N 3Å; H136-L139 PolarHBondContact O-N 3.42Å; L139-C141 VanDerWaalsContact C-N 3.27Å; L139-C141 PolarHBondContact O-N 3.43Å; L139-V142 WeakPolarHBondContact O-CB 3.27Å; L139-V142 PolarHBondContact O-N 3.26Å; L139-Y143 HydrophobicContact CD1-CD2 4.39Å; L139-Y143 HydrophobicContact CD1-CE1 4.1Å; L139-Y143 HydrophobicContact CD1-CE2 3.82Å; L139-Y143 HydrophobicContact CD2-CE2 3.88Å; L139-Y143 HydrophobicContact CG-CD2 4.07Å; L139-Y143 HydrophobicContact CG-CE2 3.53Å; L139-Y143 PolarHBondContact O-N 2.82Å; L139-T155 HydrophobicContact CB-CG2 4.46Å; L139-T155 HydrophobicContact CD2-CG2 4.36Å; L139-T155 HydrophobicContact CG-CG2 4.39Å
140	A	93.4	Very high	91.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-38.2	175.6	0	0	0	0	0	112	H136 G137 V142 Y143 Y144 A152 T155 Y156	H136-A140 WeakPolarHBondContact O-CB 3.22Å; H136-A140 PolarHBondContact O-N 3.26Å; G137-A140 WeakPolarHBondContact O-CB 3.36Å; G137-A140 PolarHBondContact O-N 3.2Å; A140-V142 VanDerWaalsContact C-N 3.3Å; A140-V142 PolarHBondContact O-N 2.84Å; A140-Y143 PolarHBondContact O-N 3.24Å; A140-Y144 WeakPolarHBondContact O-CB 3.38Å; A140-Y144 PolarHBondContact O-N 2.82Å; A140-A152 WeakPolarHBondContact O-CB 3.37Å; A140-T155 HydrophobicContact CB-CG2 3.88Å; A140-Y156 HydrophobicContact CB-CD1 3.43Å; A140-Y156 VanDerWaalsContact CB-CD1 3.43Å; A140-Y156 HydrophobicContact CB-CD2 3.78Å; A140-Y156 HydrophobicContact CB-CE1 3.4Å; A140-Y156 VanDerWaalsContact CB-CE1 3.4Å; A140-Y156 HydrophobicContact CB-CE2 3.76Å; A140-Y156 HydrophobicContact CB-CG 3.6Å
141	C	90.8	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-37.7	172.7	-64.1	0	0	0	0	112.6	L30 G137 N138 L139 Y144 E145 Y156	L30-C141 HydrophobicContact CD1-CB 3.91Å; G137-C141 PolarHBondContact O-N 2.92Å; G137-C141 VanDerWaalsContact O-N 3.09Å; G137-C141 PolarHBondContact O-SG 3.5Å; N138-C141 WeakPolarHBondContact O-CB 3.43Å; N138-C141 PolarHBondContact O-N 2.93Å; L139-C141 VanDerWaalsContact C-N 3.27Å; L139-C141 PolarHBondContact O-N 3.43Å; C141-Y144 PolarHBondContact O-N 2.9Å; C141-E145 WeakPolarHBondContact O-CG 3.37Å; C141-E145 PolarHBondContact O-N 2.88Å; C141-Y156 WeakPolarHBondContact CA-OH 3.28Å; C141-Y156 PolarHBondContact N-OH 3.23Å; C141-Y156 PolarHBondContact SG-OH 2.96Å
142	V	91.4	Very high	91.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-43.2	175.9	-179	0	0	0	0	111.1	K110 F115 A118 V119 Y122 N138 L139 A140 Y144 E145 Q146	K110-V142 HydrophobicContact CB-CG2 4.09Å; K110-V142 HydrophobicContact CD-CG2 3.94Å; K110-V142 HydrophobicContact CG-CG2 3.88Å; F115-V142 HydrophobicContact CB-CG1 3.85Å; F115-V142 HydrophobicContact CD1-CG1 3.8Å; F115-V142 HydrophobicContact CG-CG1 4.14Å; A118-V142 HydrophobicContact CB-CG2 4.32Å; V119-V142 HydrophobicContact CG2-CB 4.33Å; V119-V142 HydrophobicContact CG2-CG1 3.61Å; Y122-V142 HydrophobicContact CD2-CG2 4.25Å; Y122-V142 HydrophobicContact CE2-CG2 3.7Å; N138-V142 PolarHBondContact O-N 3Å; L139-V142 WeakPolarHBondContact O-CB 3.27Å; L139-V142 PolarHBondContact O-N 3.26Å; A140-V142 VanDerWaalsContact C-N 3.3Å; A140-V142 PolarHBondContact O-N 2.84Å; V142-Y144 VanDerWaalsContact C-N 3.28Å; V142-Y144 PolarHBondContact O-N 3.43Å; V142-E145 PolarHBondContact O-N 3.43Å; V142-Q146 HydrophobicContact CG1-CG 4.44Å; V142-Q146 WeakPolarHBondContact O-CG 3.36Å; V142-Q146 PolarHBondContact O-N 3.36Å
143	Y	93.8	Very high	91.5	Very high	26 Å²	26	27.9 Å²	27.9	10%	0.102	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-39.5	175.3	-68	-34.9	0	0	0	112.3	V119 L139 A140 Q146 G147 L148 L151	V119-Y143 HydrophobicContact CG1-CE1 4.09Å; V119-Y143 HydrophobicContact CG2-CD1 4.38Å; V119-Y143 HydrophobicContact CG2-CE1 3.94Å; L139-Y143 HydrophobicContact CD1-CD2 4.39Å; L139-Y143 HydrophobicContact CD1-CE1 4.1Å; L139-Y143 HydrophobicContact CD1-CE2 3.82Å; L139-Y143 HydrophobicContact CD2-CE2 3.88Å; L139-Y143 HydrophobicContact CG-CD2 4.07Å; L139-Y143 HydrophobicContact CG-CE2 3.53Å; L139-Y143 PolarHBondContact O-N 2.82Å; A140-Y143 PolarHBondContact O-N 3.24Å; Y143-Q146 PolarHBondContact O-N 3.24Å; Y143-G147 PolarHBondContact O-N 3.49Å; Y143-L148 HydrophobicContact CD1-CD1 4.05Å; Y143-L148 WeakPolarHBondContact O-CA 3.27Å; Y143-L148 WeakPolarHBondContact O-CB 3.22Å; Y143-L148 PolarHBondContact O-N 3.11Å; Y143-L151 HydrophobicContact CD1-CD2 3.73Å; Y143-L151 HydrophobicContact CD1-CG 4.44Å; Y143-L151 HydrophobicContact CD2-CB 4.33Å; Y143-L151 HydrophobicContact CD2-CD2 3.71Å; Y143-L151 HydrophobicContact CD2-CG 3.56Å; Y143-L151 HydrophobicContact CE1-CD2 3.57Å; Y143-L151 HydrophobicContact CE1-CG 4.49Å; Y143-L151 HydrophobicContact CE2-CD1 4.39Å; Y143-L151 HydrophobicContact CE2-CD2 3.54Å; Y143-L151 HydrophobicContact CE2-CG 3.61Å; Y143-L151 HydrophobicContact CG-CB 4.45Å; Y143-L151 HydrophobicContact CG-CD2 3.79Å; Y143-L151 HydrophobicContact CG-CG 3.99Å; Y143-L151 VanDerWaalsContact CZ-CD2 3.47Å
144	Y	89.9	Confident	91.8	Very high	36 Å²	36	32.1 Å²	32.1	14%	0.141	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-49.2	173.8	-178.5	-92.3	0	0	0	111.6	L30 A140 C141 V142 Q146 G147 I149 A176 E179	L30-Y144 HydrophobicContact CD1-CD1 3.38Å; L30-Y144 HydrophobicContact CD1-CE1 4.02Å; L30-Y144 HydrophobicContact CD1-CG 3.98Å; L30-Y144 HydrophobicContact CG-CD1 4.25Å; L30-Y144 HydrophobicContact CG-CE1 4.42Å; A140-Y144 WeakPolarHBondContact O-CB 3.38Å; A140-Y144 PolarHBondContact O-N 2.82Å; C141-Y144 PolarHBondContact O-N 2.9Å; V142-Y144 VanDerWaalsContact C-N 3.28Å; V142-Y144 PolarHBondContact O-N 3.43Å; Y144-Q146 PolarHBondContact O-N 2.73Å; Y144-G147 PolarHBondContact O-N 3.47Å; Y144-I149 HydrophobicContact CD2-CD1 3.8Å; Y144-I149 HydrophobicContact CE2-CD1 3.97Å; Y144-A176 HydrophobicContact CD2-CB 3.83Å; Y144-A176 HydrophobicContact CE2-CB 4.07Å; Y144-E179 HydrophobicContact CE2-CB 4.44Å; Y144-E179 WeakPolarHBondContact CE2-OE2 3.46Å; Y144-E179 PolarHBondContact OH-OE2 2.99Å
145	E	87.7	Confident	92	Very high	74 Å²	74	31.8 Å²	31.8	35%	0.346	17%	0.171	S	C	.	.	H	α-helix	trans	-65.3	-24.3	178.6	-73.1	177.8	-150.6	0	0	113.6	K110 F115 C141 V142 G147	K110-E145 WeakPolarHBondContact CE-OE1 3.43Å; K110-E145 IonicContact NZ-OE1 3.67Å; K110-E145 PolarHBondContact NZ-OE1 3.41Å; F115-E145 HydrophobicContact CE1-CB 4.07Å; F115-E145 WeakPolarHBondContact CE1-OE2 3.47Å; F115-E145 HydrophobicContact CZ-CB 3.86Å; F115-E145 WeakPolarHBondContact CZ-OE2 3.45Å; C141-E145 WeakPolarHBondContact O-CG 3.37Å; C141-E145 PolarHBondContact O-N 2.88Å; V142-E145 PolarHBondContact O-N 3.43Å; E145-G147 VanDerWaalsContact C-N 3.31Å
146	Q	89.1	Confident	92.3	Very high	64 Å²	64	31.8 Å²	31.8	30%	0.299	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.9	171.4	-71	-177.9	-49.5	0	0	113.6	F115 D116 V142 Y143 Y144 L148	F115-Q146 HydrophobicContact CB-CG 3.78Å; F115-Q146 HydrophobicContact CD2-CG 3.83Å; F115-Q146 HydrophobicContact CG-CG 3.91Å; D116-Q146 PolarHBondContact OD1-NE2 2.93Å; V142-Q146 HydrophobicContact CG1-CG 4.44Å; V142-Q146 WeakPolarHBondContact O-CG 3.36Å; V142-Q146 PolarHBondContact O-N 3.36Å; Y143-Q146 PolarHBondContact O-N 3.24Å; Y144-Q146 PolarHBondContact O-N 2.73Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; Q146-L148 HydrophobicContact CB-CD1 4.36Å; Q146-L148 HydrophobicContact CB-CG 4.25Å
147	G	87.6	Confident	92.4	Very high	48 Å²	48	35.7 Å²	35.7	50%	0.495	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	11.3	-176	0	0	0	0	0	114.5	Y143 Y144 E145 I149	Y143-G147 PolarHBondContact O-N 3.49Å; Y144-G147 PolarHBondContact O-N 3.47Å; E145-G147 VanDerWaalsContact C-N 3.31Å; G147-I149 PolarHBondContact O-N 3Å
148	L	92.3	Very high	92.6	Very high	84 Å²	84	40.6 Å²	40.6	44%	0.44	20%	0.203	S	C	.	.			trans	-84.8	63.9	176.7	-60	175.5	0	0	0	110.2	Y143 Q146 D150 L151 A152	Y143-L148 HydrophobicContact CD1-CD1 4.05Å; Y143-L148 WeakPolarHBondContact O-CA 3.27Å; Y143-L148 WeakPolarHBondContact O-CB 3.22Å; Y143-L148 PolarHBondContact O-N 3.11Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; Q146-L148 HydrophobicContact CB-CD1 4.36Å; Q146-L148 HydrophobicContact CB-CG 4.25Å; L148-D150 PolarHBondContact O-N 3.31Å; L148-L151 HydrophobicContact CB-CB 4.26Å; L148-L151 HydrophobicContact CD1-CD2 4.38Å; L148-L151 PolarHBondContact O-N 3.44Å; L148-A152 PolarHBondContact O-N 3.2Å
149	I	91.4	Very high	92.7	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-43.7	-167	-55.6	-55	0	0	0	113.2	Y144 G147 L151 A152 I153 A176 E179 K180	Y144-I149 HydrophobicContact CD2-CD1 3.8Å; Y144-I149 HydrophobicContact CE2-CD1 3.97Å; G147-I149 PolarHBondContact O-N 3Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.26Å; I149-A152 WeakPolarHBondContact O-CB 3.24Å; I149-A152 PolarHBondContact O-N 3.11Å; I149-I153 HydrophobicContact CG2-CD1 3.9Å; I149-I153 HydrophobicContact CG2-CG1 4.49Å; I149-I153 WeakPolarHBondContact O-CG1 3.37Å; I149-I153 PolarHBondContact O-N 3.23Å; I149-A176 WeakPolarHBondContact CG2-O 3.34Å; I149-E179 HydrophobicContact CD1-CG 4.22Å; I149-E179 HydrophobicContact CG1-CG 4.41Å; I149-K180 HydrophobicContact CG2-CB 4.11Å
150	D	93	Very high	92.8	Very high	94 Å²	94	41.2 Å²	41.2	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-63.1	-42.7	179.1	-71.3	-46.2	0	0	0	111.9	L148 A152 I153 D154 K180	L148-D150 PolarHBondContact O-N 3.31Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-A152 PolarHBondContact O-N 3.41Å; D150-I153 PolarHBondContact O-N 2.92Å; D150-D154 PolarHBondContact O-N 3.26Å; D150-K180 VanDerWaalsContact OD1-CE 3.26Å; D150-K180 WeakPolarHBondContact OD1-CE 3.36Å; D150-K180 IonicContact OD1-NZ 3.78Å; D150-K180 PolarHBondContact OD1-NZ 2.95Å
151	L	94	Very high	92.8	Very high	75 Å²	75	47.2 Å²	47.2	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-67.3	-37.5	178.3	-170.5	63.1	0	0	0	111.4	Y143 L148 I149 T155	Y143-L151 HydrophobicContact CD1-CD2 3.73Å; Y143-L151 HydrophobicContact CD1-CG 4.44Å; Y143-L151 HydrophobicContact CD2-CB 4.33Å; Y143-L151 HydrophobicContact CD2-CD2 3.71Å; Y143-L151 HydrophobicContact CD2-CG 3.56Å; Y143-L151 HydrophobicContact CE1-CD2 3.57Å; Y143-L151 HydrophobicContact CE1-CG 4.49Å; Y143-L151 HydrophobicContact CE2-CD1 4.39Å; Y143-L151 HydrophobicContact CE2-CD2 3.54Å; Y143-L151 HydrophobicContact CE2-CG 3.61Å; Y143-L151 HydrophobicContact CG-CB 4.45Å; Y143-L151 HydrophobicContact CG-CD2 3.79Å; Y143-L151 HydrophobicContact CG-CG 3.99Å; Y143-L151 VanDerWaalsContact CZ-CD2 3.47Å; L148-L151 HydrophobicContact CB-CB 4.26Å; L148-L151 HydrophobicContact CD1-CD2 4.38Å; L148-L151 PolarHBondContact O-N 3.44Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 3.26Å; L151-T155 VanDerWaalsContact O-CB 3.3Å; L151-T155 WeakPolarHBondContact O-CB 3.49Å; L151-T155 PolarHBondContact O-N 3.05Å; L151-T155 PolarHBondContact O-OG1 3.38Å
152	A	94.1	Very high	92.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-47.6	173.1	0	0	0	0	0	111.2	A140 L148 I149 D150 D154 T155 Y156	A140-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 3.2Å; I149-A152 WeakPolarHBondContact O-CB 3.24Å; I149-A152 PolarHBondContact O-N 3.11Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-A152 PolarHBondContact O-N 3.41Å; A152-D154 PolarHBondContact O-N 3.1Å; A152-T155 PolarHBondContact O-N 3.22Å; A152-Y156 HydrophobicContact CB-CD2 4.41Å; A152-Y156 HydrophobicContact CB-CE2 4.19Å; A152-Y156 WeakPolarHBondContact O-CB 3.42Å; A152-Y156 WeakPolarHBondContact O-CD2 3.38Å; A152-Y156 PolarHBondContact O-N 2.92Å
153	I	94.8	Very high	93	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-50.5	178.3	-72.7	165.3	0	0	0	111.1	I149 D150 T155 Y156 R157 L173 A176 L177 K180	I149-I153 HydrophobicContact CG2-CD1 3.9Å; I149-I153 HydrophobicContact CG2-CG1 4.49Å; I149-I153 WeakPolarHBondContact O-CG1 3.37Å; I149-I153 PolarHBondContact O-N 3.23Å; D150-I153 PolarHBondContact O-N 2.92Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 2.7Å; I153-Y156 PolarHBondContact O-N 2.85Å; I153-R157 WeakPolarHBondContact O-CG 3.47Å; I153-R157 PolarHBondContact O-N 2.6Å; I153-L173 HydrophobicContact CB-CD1 4.27Å; I153-L173 HydrophobicContact CG1-CD1 4.27Å; I153-L173 HydrophobicContact CG2-CD1 3.92Å; I153-A176 HydrophobicContact CD1-CB 4.44Å; I153-A176 HydrophobicContact CG1-CB 3.7Å; I153-L177 HydrophobicContact CD1-CD2 4.04Å; I153-L177 HydrophobicContact CG1-CD2 4.39Å; I153-L177 HydrophobicContact CG2-CD2 4.28Å; I153-K180 HydrophobicContact CD1-CB 4.13Å; I153-K180 HydrophobicContact CD1-CD 3.48Å; I153-K180 VanDerWaalsContact CD1-CD 3.48Å; I153-K180 HydrophobicContact CD1-CG 4.44Å
154	D	95.6	Very high	92.9	Very high	95 Å²	95	55.5 Å²	55.5	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-40.2	-179.3	-71.7	-19.6	0	0	0	111.4	D150 A152 R157 R158	D150-D154 PolarHBondContact O-N 3.26Å; A152-D154 PolarHBondContact O-N 3.1Å; D154-R157 PolarHBondContact O-N 3.04Å; D154-R158 PolarHBondContact O-N 3.17Å
155	T	94.9	Very high	92.9	Very high	15 Å²	15	60.8 Å²	60.8	9%	0.092	31%	0.307	C	S	.	.	H	α-helix	trans	-70.8	-37.2	179.7	-50	0	0	0	0	111.8	H136 L139 A140 L151 A152 I153 R158 A159	H136-T155 HydrophobicContact CB-CG2 4.19Å; H136-T155 WeakPolarHBondContact O-CG2 3.49Å; L139-T155 HydrophobicContact CB-CG2 4.46Å; L139-T155 HydrophobicContact CD2-CG2 4.36Å; L139-T155 HydrophobicContact CG-CG2 4.39Å; A140-T155 HydrophobicContact CB-CG2 3.88Å; L151-T155 VanDerWaalsContact O-CB 3.3Å; L151-T155 WeakPolarHBondContact O-CB 3.49Å; L151-T155 PolarHBondContact O-N 3.05Å; L151-T155 PolarHBondContact O-OG1 3.38Å; A152-T155 PolarHBondContact O-N 3.22Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 2.7Å; T155-R158 WeakPolarHBondContact O-CB 3.43Å; T155-R158 PolarHBondContact O-N 3.24Å; T155-A159 PolarHBondContact O-N 3.03Å
156	Y	95.5	Very high	93	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-42.6	171.9	-76.9	-54.7	0	0	0	112.2	G137 A140 C141 A152 I153 R158 A159 I160 N172 L173 A176	G137-Y156 WeakPolarHBondContact O-CE1 3.15Å; A140-Y156 HydrophobicContact CB-CD1 3.43Å; A140-Y156 VanDerWaalsContact CB-CD1 3.43Å; A140-Y156 HydrophobicContact CB-CD2 3.78Å; A140-Y156 HydrophobicContact CB-CE1 3.4Å; A140-Y156 VanDerWaalsContact CB-CE1 3.4Å; A140-Y156 HydrophobicContact CB-CE2 3.76Å; A140-Y156 HydrophobicContact CB-CG 3.6Å; C141-Y156 WeakPolarHBondContact CA-OH 3.28Å; C141-Y156 PolarHBondContact N-OH 3.23Å; C141-Y156 PolarHBondContact SG-OH 2.96Å; A152-Y156 HydrophobicContact CB-CD2 4.41Å; A152-Y156 HydrophobicContact CB-CE2 4.19Å; A152-Y156 WeakPolarHBondContact O-CB 3.42Å; A152-Y156 WeakPolarHBondContact O-CD2 3.38Å; A152-Y156 PolarHBondContact O-N 2.92Å; I153-Y156 PolarHBondContact O-N 2.85Å; Y156-R158 PolarHBondContact O-N 3.4Å; Y156-A159 WeakPolarHBondContact O-CB 3.33Å; Y156-A159 PolarHBondContact O-N 2.64Å; Y156-A159 VanDerWaalsContact O-N 3.13Å; Y156-I160 WeakPolarHBondContact O-CG1 3.34Å; Y156-I160 PolarHBondContact O-N 3.25Å; Y156-N172 HydrophobicContact CD1-CB 4.22Å; Y156-N172 HydrophobicContact CE1-CB 3.53Å; Y156-N172 HydrophobicContact CE2-CB 4.19Å; Y156-L173 HydrophobicContact CG-CB 4.32Å; Y156-A176 HydrophobicContact CD2-CB 4.44Å; Y156-A176 HydrophobicContact CE2-CB 4.36Å
157	R	96.1	Very high	93	Very high	106 Å²	106	56 Å²	56	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-57.9	-41.8	174	-75.6	175.2	172.9	176.7	-3.1	110.6	I153 D154 A159 I160 E161 L173 E185	I153-R157 WeakPolarHBondContact O-CG 3.47Å; I153-R157 PolarHBondContact O-N 2.6Å; D154-R157 PolarHBondContact O-N 3.04Å; R157-A159 PolarHBondContact O-N 2.89Å; R157-I160 PolarHBondContact O-N 2.9Å; R157-E161 WeakPolarHBondContact O-CG 3.3Å; R157-E161 PolarHBondContact O-N 2.83Å; R157-L173 HydrophobicContact CG-CD1 4.29Å; R157-L173 HydrophobicContact CG-CD2 4.06Å; R157-E185 IonicContact NH2-OE2 3.89Å; R157-E185 PolarHBondContact NH2-OE2 2.91Å
158	R	94.8	Very high	93	Very high	103 Å²	103	55.2 Å²	55.2	39%	0.389	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-41.4	174.8	-173.1	56.8	178.7	175.1	2.3	113	D154 T155 Y156 I160 E161 L162	D154-R158 PolarHBondContact O-N 3.17Å; T155-R158 WeakPolarHBondContact O-CB 3.43Å; T155-R158 PolarHBondContact O-N 3.24Å; Y156-R158 PolarHBondContact O-N 3.4Å; R158-I160 VanDerWaalsContact C-N 3.31Å; R158-I160 PolarHBondContact O-N 3.3Å; R158-E161 WeakPolarHBondContact CD-OE2 3.5Å; R158-E161 IonicContact CZ-OE2 3.19Å; R158-E161 IonicContact NH1-OE2 2.65Å; R158-E161 PolarHBondContact NH1-OE2 3.27Å; R158-E161 PolarHBondContact O-N 3.15Å; R158-L162 HydrophobicContact CG-CD1 4.27Å; R158-L162 VanDerWaalsContact O-CG 3.27Å; R158-L162 WeakPolarHBondContact O-CG 3.22Å; R158-L162 PolarHBondContact O-N 3.21Å; R158-L162 VanDerWaalsContact O-N 3.16Å
159	A	93.2	Very high	92.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-41.5	174.6	0	0	0	0	0	111.9	A133 H136 T155 Y156 R157 L162 Q163	A133-A159 WeakPolarHBondContact CB-O 3.32Å; A133-A159 WeakPolarHBondContact O-CB 3.32Å; H136-A159 HydrophobicContact CB-CB 3.85Å; T155-A159 PolarHBondContact O-N 3.03Å; Y156-A159 WeakPolarHBondContact O-CB 3.33Å; Y156-A159 PolarHBondContact O-N 2.64Å; Y156-A159 VanDerWaalsContact O-N 3.13Å; R157-A159 PolarHBondContact O-N 2.89Å; A159-L162 PolarHBondContact O-N 3.32Å; A159-Q163 PolarHBondContact O-N 2.9Å
160	I	94.6	Very high	93	Very high	17 Å²	17	52 Å²	52	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-70.6	-39.5	179.2	-68.8	163.3	0	0	0	112	Y156 R157 R158 L162 Q163 P164 A169 Y170 L173	Y156-I160 WeakPolarHBondContact O-CG1 3.34Å; Y156-I160 PolarHBondContact O-N 3.25Å; R157-I160 PolarHBondContact O-N 2.9Å; R158-I160 VanDerWaalsContact C-N 3.31Å; R158-I160 PolarHBondContact O-N 3.3Å; I160-L162 VanDerWaalsContact C-N 3.26Å; I160-L162 PolarHBondContact O-N 3.21Å; I160-Q163 CarbonylContact O-C 3.03Å; I160-Q163 PolarHBondContact O-N 2.87Å; I160-P164 WeakPolarHBondContact O-CA 3.22Å; I160-P164 VanDerWaalsContact O-N 3.12Å; I160-A169 HydrophobicContact CD1-CB 4.39Å; I160-A169 HydrophobicContact CG1-CB 3.84Å; I160-Y170 HydrophobicContact CD1-CD1 3.9Å; I160-Y170 HydrophobicContact CD1-CD2 4.45Å; I160-Y170 HydrophobicContact CD1-CE1 4.07Å; I160-Y170 HydrophobicContact CD1-CG 4.1Å; I160-Y170 HydrophobicContact CG1-CD2 4.41Å; I160-Y170 HydrophobicContact CG1-CE2 4.34Å; I160-Y170 HydrophobicContact CG2-CE1 3.82Å; I160-Y170 HydrophobicContact CG2-CE2 3.83Å; I160-Y170 WeakPolarHBondContact CG2-OH 3.45Å; I160-L173 HydrophobicContact CD1-CB 4.21Å; I160-L173 HydrophobicContact CD1-CD2 3.55Å
161	E	94.8	Very high	92.9	Very high	127 Å²	127	47.6 Å²	47.6	59%	0.593	23%	0.229	S	C	*	.	H	α-helix	trans	-58	-41.7	173.4	-76.7	174.3	-175.4	0	0	111.7	R157 R158	R157-E161 WeakPolarHBondContact O-CG 3.3Å; R157-E161 PolarHBondContact O-N 2.83Å; R158-E161 WeakPolarHBondContact CD-OE2 3.5Å; R158-E161 IonicContact CZ-OE2 3.19Å; R158-E161 IonicContact NH1-OE2 2.65Å; R158-E161 PolarHBondContact NH1-OE2 3.27Å; R158-E161 PolarHBondContact O-N 3.15Å
162	L	92.5	Very high	92.9	Very high	50 Å²	50	44.2 Å²	44.2	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-73.6	-33.7	179	-67.6	170.2	0	0	0	112.1	N131 A133 H136 R158 A159 I160	N131-L162 HydrophobicContact CB-CD2 3.89Å; A133-L162 HydrophobicContact CB-CB 3.85Å; H136-L162 VanDerWaalsContact CD2-CD1 3.45Å; H136-L162 WeakPolarHBondContact CD2-CD1 3.4Å; R158-L162 HydrophobicContact CG-CD1 4.27Å; R158-L162 VanDerWaalsContact O-CG 3.27Å; R158-L162 WeakPolarHBondContact O-CG 3.22Å; R158-L162 PolarHBondContact O-N 3.21Å; R158-L162 VanDerWaalsContact O-N 3.16Å; A159-L162 PolarHBondContact O-N 3.32Å; I160-L162 VanDerWaalsContact C-N 3.26Å; I160-L162 PolarHBondContact O-N 3.21Å
163	Q	93.1	Very high	92.9	Very high	77 Å²	77	44.6 Å²	44.6	36%	0.36	21%	0.213	S	C	.	.			trans	-138.8	92.5	178.4	-172.2	177.8	-16.4	0	0	111.4	A133 A159 I160 H165 F166	A133-Q163 HydrophobicContact CB-CB 3.57Å; A159-Q163 PolarHBondContact O-N 2.9Å; I160-Q163 CarbonylContact O-C 3.03Å; I160-Q163 PolarHBondContact O-N 2.87Å; Q163-H165 VanDerWaalsContact C-N 3.27Å; Q163-H165 PolarHBondContact O-N 3Å; Q163-F166 HydrophobicContact CB-CB 4.42Å; Q163-F166 HydrophobicContact CB-CD1 4.38Å; Q163-F166 HydrophobicContact CG-CB 4.16Å; Q163-F166 VanDerWaalsContact O-CB 3.23Å; Q163-F166 WeakPolarHBondContact O-CB 3.36Å
164	P	91.1	Very high	92.8	Very high	72 Å²	72	44.5 Å²	44.5	47%	0.468	21%	0.213	S	C	.	.	S	Bend	trans	-68.7	-17.7	-177.8	-25.7	35.7	0	0	0	115.4	I160 F166 Y170	I160-P164 WeakPolarHBondContact O-CA 3.22Å; I160-P164 VanDerWaalsContact O-N 3.12Å; P164-F166 PolarHBondContact O-N 3.11Å; P164-Y170 WeakPolarHBondContact O-CE2 3.46Å
165	H	91.9	Very high	92.5	Very high	147 Å²	147	40.4 Å²	40.4	68%	0.681	19%	0.191	S	C	*	.	S	Bend	trans	-99.3	62.2	176.4	-65.8	79.1	0	0	0	109.7	Q163	Q163-H165 VanDerWaalsContact C-N 3.27Å; Q163-H165 PolarHBondContact O-N 3Å
166	F	88.4	Confident	92.3	Very high	14 Å²	14	39.7 Å²	39.7	6%	0.061	19%	0.187	C	C	.	.			trans	-131.3	78.7	-174.2	-160.5	-179.1	0	0	0	112.6	F33 A133 V134 Q163 P164 D168 A169 Y170	F33-F166 HydrophobicContact CB-CZ 4.2Å; F33-F166 HydrophobicContact CD1-CD2 4.3Å; F33-F166 HydrophobicContact CD1-CE1 4.31Å; F33-F166 AromaticContact CD1-CE2 3.13Å; F33-F166 HydrophobicContact CD1-CE2 3.13Å; F33-F166 AromaticContact CD1-CZ 3.13Å; F33-F166 HydrophobicContact CD1-CZ 3.13Å; F33-F166 AromaticContact CD2-CZ 3.87Å; F33-F166 HydrophobicContact CD2-CZ 3.87Å; F33-F166 AromaticContact CE1-CD2 3.92Å; F33-F166 HydrophobicContact CE1-CD2 3.92Å; F33-F166 HydrophobicContact CE1-CE1 4.07Å; F33-F166 AromaticContact CE1-CE2 3.09Å; F33-F166 HydrophobicContact CE1-CE2 3.09Å; F33-F166 AromaticContact CE1-CZ 3.18Å; F33-F166 HydrophobicContact CE1-CZ 3.18Å; F33-F166 HydrophobicContact CE2-CE1 4.43Å; F33-F166 HydrophobicContact CE2-CZ 4.01Å; F33-F166 AromaticContact CG-CE2 3.95Å; F33-F166 HydrophobicContact CG-CE2 3.95Å; F33-F166 AromaticContact CG-CZ 3.47Å; F33-F166 HydrophobicContact CG-CZ 3.47Å; F33-F166 VanDerWaalsContact CG-CZ 3.47Å; F33-F166 HydrophobicContact CZ-CE1 4.17Å; F33-F166 AromaticContact CZ-CE2 3.98Å; F33-F166 HydrophobicContact CZ-CE2 3.98Å; F33-F166 AromaticContact CZ-CZ 3.67Å; F33-F166 HydrophobicContact CZ-CZ 3.67Å; A133-F166 HydrophobicContact CB-CE1 4.49Å; V134-F166 HydrophobicContact CG2-CE1 4.43Å; V134-F166 HydrophobicContact CG2-CZ 4.08Å; Q163-F166 HydrophobicContact CB-CB 4.42Å; Q163-F166 HydrophobicContact CB-CD1 4.38Å; Q163-F166 HydrophobicContact CG-CB 4.16Å; Q163-F166 VanDerWaalsContact O-CB 3.23Å; Q163-F166 WeakPolarHBondContact O-CB 3.36Å; P164-F166 PolarHBondContact O-N 3.11Å; F166-D168 PolarHBondContact O-N 3.21Å; F166-A169 HydrophobicContact CB-CB 4.02Å; F166-A169 HydrophobicContact CD1-CB 3.42Å; F166-A169 VanDerWaalsContact CD1-CB 3.42Å; F166-A169 HydrophobicContact CD2-CB 4.17Å; F166-A169 HydrophobicContact CE1-CB 3.92Å; F166-A169 HydrophobicContact CG-CB 3.57Å; F166-A169 PolarHBondContact O-N 2.8Å; F166-A169 VanDerWaalsContact O-N 3.13Å; F166-Y170 WeakPolarHBondContact O-CD2 3.47Å; F166-Y170 PolarHBondContact O-N 2.92Å
167	P	89.2	Confident	92	Very high	25 Å²	25	39.9 Å²	39.9	16%	0.162	19%	0.188	C	C	.	.	H	α-helix	trans	-54.3	-47.1	-172.5	-25.4	33.3	0	0	0	114.6	A169 Y170 C171 A193 L196 C197	P167-A169 VanDerWaalsContact C-N 3.29Å; P167-A169 PolarHBondContact O-N 3.28Å; P167-Y170 WeakPolarHBondContact O-CB 3.4Å; P167-Y170 PolarHBondContact O-N 2.77Å; P167-Y170 VanDerWaalsContact O-N 3.16Å; P167-C171 PolarHBondContact O-N 3.44Å; P167-A193 HydrophobicContact CB-CB 4.47Å; P167-A193 WeakPolarHBondContact O-CB 3.42Å; P167-L196 HydrophobicContact CG-CB 3.92Å; P167-C197 HydrophobicContact CB-CB 4.02Å; P167-C197 HydrophobicContact CG-CB 3.75Å
168	D	87.9	Confident	91.6	Very high	30 Å²	30	37.2 Å²	37.2	16%	0.16	18%	0.179	C	C	.	.	H	α-helix	trans	-71.1	-23.6	-177.8	-1.1	-54.7	0	0	0	112.5	F33 F166 C171 N172 H200	F33-D168 HydrophobicContact CD1-CB 4.22Å; F33-D168 WeakPolarHBondContact CD1-OD2 3.48Å; F33-D168 HydrophobicContact CE1-CB 3.5Å; F33-D168 VanDerWaalsContact CE1-CB 3.5Å; F33-D168 WeakPolarHBondContact CE1-OD2 3.29Å; F33-D168 HydrophobicContact CZ-CB 4.32Å; F166-D168 PolarHBondContact O-N 3.21Å; D168-C171 PolarHBondContact O-N 2.93Å; D168-N172 VanDerWaalsContact O-CB 3.27Å; D168-N172 WeakPolarHBondContact O-CB 3.46Å; D168-N172 PolarHBondContact O-N 3.38Å; D168-N172 PolarHBondContact O-ND2 2.78Å; D168-H200 IonicContact OD1-CD2 3.75Å; D168-H200 IonicContact OD1-NE2 3.57Å; D168-H200 PolarHBondContact OD1-NE2 2.94Å
169	A	88.9	Confident	91.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.8	-39.9	169.7	0	0	0	0	0	112.1	F33 I160 F166 P167 L173	F33-A169 HydrophobicContact CE1-CB 4.45Å; F33-A169 HydrophobicContact CZ-CB 3.97Å; I160-A169 HydrophobicContact CD1-CB 4.39Å; I160-A169 HydrophobicContact CG1-CB 3.84Å; F166-A169 HydrophobicContact CB-CB 4.02Å; F166-A169 HydrophobicContact CD1-CB 3.42Å; F166-A169 VanDerWaalsContact CD1-CB 3.42Å; F166-A169 HydrophobicContact CD2-CB 4.17Å; F166-A169 HydrophobicContact CE1-CB 3.92Å; F166-A169 HydrophobicContact CG-CB 3.57Å; F166-A169 PolarHBondContact O-N 2.8Å; F166-A169 VanDerWaalsContact O-N 3.13Å; P167-A169 VanDerWaalsContact C-N 3.29Å; P167-A169 PolarHBondContact O-N 3.28Å; A169-L173 WeakPolarHBondContact O-CB 3.39Å; A169-L173 PolarHBondContact O-N 3.45Å
170	Y	94	Very high	90.9	Very high	41 Å²	41	41.4 Å²	41.4	16%	0.161	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-40.9	170.7	-79.1	-78	0	0	0	112.1	I160 P164 F166 P167 A174 T192 L196	I160-Y170 HydrophobicContact CD1-CD1 3.9Å; I160-Y170 HydrophobicContact CD1-CD2 4.45Å; I160-Y170 HydrophobicContact CD1-CE1 4.07Å; I160-Y170 HydrophobicContact CD1-CG 4.1Å; I160-Y170 HydrophobicContact CG1-CD2 4.41Å; I160-Y170 HydrophobicContact CG1-CE2 4.34Å; I160-Y170 HydrophobicContact CG2-CE1 3.82Å; I160-Y170 HydrophobicContact CG2-CE2 3.83Å; I160-Y170 WeakPolarHBondContact CG2-OH 3.45Å; P164-Y170 WeakPolarHBondContact O-CE2 3.46Å; F166-Y170 WeakPolarHBondContact O-CD2 3.47Å; F166-Y170 PolarHBondContact O-N 2.92Å; P167-Y170 WeakPolarHBondContact O-CB 3.4Å; P167-Y170 PolarHBondContact O-N 2.77Å; P167-Y170 VanDerWaalsContact O-N 3.16Å; Y170-A174 VanDerWaalsContact O-CB 3.32Å; Y170-A174 WeakPolarHBondContact O-CB 3.4Å; Y170-A174 PolarHBondContact O-N 2.79Å; Y170-T192 HydrophobicContact CD1-CG2 3.91Å; Y170-T192 HydrophobicContact CD2-CG2 4.25Å; Y170-T192 HydrophobicContact CE1-CG2 3.64Å; Y170-T192 HydrophobicContact CE2-CG2 4.01Å; Y170-T192 HydrophobicContact CG-CG2 4.2Å; Y170-L196 HydrophobicContact CD2-CD1 3.77Å; Y170-L196 HydrophobicContact CE2-CD1 3.67Å
171	C	92.6	Very high	90.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-44.8	177.1	-172.2	0	0	0	0	111.9	P167 D168 A174 N175 S203	P167-C171 PolarHBondContact O-N 3.44Å; D168-C171 PolarHBondContact O-N 2.93Å; C171-A174 WeakPolarHBondContact O-CB 3.21Å; C171-A174 PolarHBondContact O-N 3.46Å; C171-N175 VanDerWaalsContact O-CG 3.3Å; C171-N175 PolarHBondContact O-N 3.21Å; C171-N175 PolarHBondContact O-OD1 3.33Å; C171-S203 WeakPolarHBondContact CB-OG 3.48Å; C171-S203 PolarHBondContact SG-OG 3.35Å
172	N	92.1	Very high	90.2	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-71.9	-36.6	179.6	-67.7	-21.1	0	0	0	112.2	L30 Y156 D168 A174 N175 A176	L30-N172 HydrophobicContact CD2-CB 4.09Å; L30-N172 WeakPolarHBondContact CD2-OD1 3.43Å; Y156-N172 HydrophobicContact CD1-CB 4.22Å; Y156-N172 HydrophobicContact CE1-CB 3.53Å; Y156-N172 HydrophobicContact CE2-CB 4.19Å; D168-N172 VanDerWaalsContact O-CB 3.27Å; D168-N172 WeakPolarHBondContact O-CB 3.46Å; D168-N172 PolarHBondContact O-N 3.38Å; D168-N172 PolarHBondContact O-ND2 2.78Å; N172-A174 VanDerWaalsContact C-N 3.31Å; N172-A174 PolarHBondContact O-N 2.81Å; N172-N175 WeakPolarHBondContact O-CB 3.35Å; N172-N175 PolarHBondContact O-N 2.83Å; N172-A176 PolarHBondContact O-N 3.4Å; N172-A176 VanDerWaalsContact O-N 3.11Å
173	L	94.1	Very high	89.9	Confident	8 Å²	8	39 Å²	39	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-44.3	169	175.6	58.2	0	0	0	111.1	I153 Y156 R157 I160 A169 N175 A176 L177	I153-L173 HydrophobicContact CB-CD1 4.27Å; I153-L173 HydrophobicContact CG1-CD1 4.27Å; I153-L173 HydrophobicContact CG2-CD1 3.92Å; Y156-L173 HydrophobicContact CG-CB 4.32Å; R157-L173 HydrophobicContact CG-CD1 4.29Å; R157-L173 HydrophobicContact CG-CD2 4.06Å; I160-L173 HydrophobicContact CD1-CB 4.21Å; I160-L173 HydrophobicContact CD1-CD2 3.55Å; A169-L173 WeakPolarHBondContact O-CB 3.39Å; A169-L173 PolarHBondContact O-N 3.45Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 2.98Å; L173-A176 PolarHBondContact O-N 3.12Å; L173-L177 HydrophobicContact CD1-CD1 3.94Å; L173-L177 HydrophobicContact CD1-CG 3.98Å; L173-L177 HydrophobicContact CD2-CD1 4.39Å; L173-L177 HydrophobicContact CG-CD1 3.75Å; L173-L177 HydrophobicContact CG-CG 4.28Å; L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.41Å
174	A	92.9	Very high	89.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-41.3	177.6	0	0	0	0	0	112.1	Y170 C171 N172 A176 L177 K178 A186 C189 Y190	Y170-A174 VanDerWaalsContact O-CB 3.32Å; Y170-A174 WeakPolarHBondContact O-CB 3.4Å; Y170-A174 PolarHBondContact O-N 2.79Å; C171-A174 WeakPolarHBondContact O-CB 3.21Å; C171-A174 PolarHBondContact O-N 3.46Å; N172-A174 VanDerWaalsContact C-N 3.31Å; N172-A174 PolarHBondContact O-N 2.81Å; A174-A176 PolarHBondContact O-N 2.81Å; A174-L177 PolarHBondContact O-N 3.01Å; A174-K178 WeakPolarHBondContact O-CB 3.44Å; A174-K178 PolarHBondContact O-N 2.86Å; A174-A186 HydrophobicContact CB-CB 4.28Å; A174-A186 WeakPolarHBondContact CB-O 3.47Å; A174-A186 VanDerWaalsContact O-CB 3.28Å; A174-A186 WeakPolarHBondContact O-CB 3.19Å; A174-C189 HydrophobicContact CB-CB 3.63Å; A174-Y190 HydrophobicContact CB-CD1 3.61Å; A174-Y190 HydrophobicContact CB-CD2 3.81Å; A174-Y190 HydrophobicContact CB-CE1 3.39Å; A174-Y190 HydrophobicContact CB-CE2 3.6Å; A174-Y190 HydrophobicContact CB-CG 3.8Å
175	N	90.4	Very high	89.7	Confident	10 Å²	10	39.6 Å²	39.6	5%	0.053	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-46.7	174.3	-63.5	-18.3	0	0	0	111.1	C171 N172 L173 K178 E179 Y190 N206	C171-N175 VanDerWaalsContact O-CG 3.3Å; C171-N175 PolarHBondContact O-N 3.21Å; C171-N175 PolarHBondContact O-OD1 3.33Å; N172-N175 WeakPolarHBondContact O-CB 3.35Å; N172-N175 PolarHBondContact O-N 2.83Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 2.98Å; N175-K178 PolarHBondContact O-N 3.29Å; N175-E179 PolarHBondContact O-N 3.07Å; N175-Y190 PolarHBondContact N-OH 3.4Å; N175-Y190 PolarHBondContact OD1-OH 3.36Å; N175-N206 PolarHBondContact OD1-ND2 3.07Å
176	A	91	Very high	89.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-41.2	178.4	0	0	0	0	0	113.1	Y144 I149 I153 Y156 N172 L173 A174 E179 K180	Y144-A176 HydrophobicContact CD2-CB 3.83Å; Y144-A176 HydrophobicContact CE2-CB 4.07Å; I149-A176 WeakPolarHBondContact CG2-O 3.34Å; I153-A176 HydrophobicContact CD1-CB 4.44Å; I153-A176 HydrophobicContact CG1-CB 3.7Å; Y156-A176 HydrophobicContact CD2-CB 4.44Å; Y156-A176 HydrophobicContact CE2-CB 4.36Å; N172-A176 PolarHBondContact O-N 3.4Å; N172-A176 VanDerWaalsContact O-N 3.11Å; L173-A176 PolarHBondContact O-N 3.12Å; A174-A176 PolarHBondContact O-N 2.81Å; A176-E179 PolarHBondContact O-N 3.12Å; A176-K180 PolarHBondContact O-N 2.75Å
177	L	89.6	Confident	89.8	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-39.4	175	-73.6	167.6	0	0	0	112	I153 L173 A174 K180 G181 S182 E185 A186	I153-L177 HydrophobicContact CD1-CD2 4.04Å; I153-L177 HydrophobicContact CG1-CD2 4.39Å; I153-L177 HydrophobicContact CG2-CD2 4.28Å; L173-L177 HydrophobicContact CD1-CD1 3.94Å; L173-L177 HydrophobicContact CD1-CG 3.98Å; L173-L177 HydrophobicContact CD2-CD1 4.39Å; L173-L177 HydrophobicContact CG-CD1 3.75Å; L173-L177 HydrophobicContact CG-CG 4.28Å; L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.41Å; A174-L177 PolarHBondContact O-N 3.01Å; L177-K180 PolarHBondContact O-N 2.86Å; L177-G181 PolarHBondContact O-N 2.83Å; L177-S182 WeakPolarHBondContact O-CA 3.44Å; L177-S182 PolarHBondContact O-N 3.26Å; L177-E185 HydrophobicContact CD1-CB 3.91Å; L177-E185 HydrophobicContact CD2-CB 4.44Å; L177-A186 HydrophobicContact CB-CB 3.98Å
178	K	86.1	Confident	90	Very high	49 Å²	49	37 Å²	37	21%	0.213	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-45.8	174.8	-174.8	-171.8	175.5	-176.1	0	110.7	A174 N175 K180 G181 A186 I210 E213	A174-K178 WeakPolarHBondContact O-CB 3.44Å; A174-K178 PolarHBondContact O-N 2.86Å; N175-K178 PolarHBondContact O-N 3.29Å; K178-K180 VanDerWaalsContact C-N 3.28Å; K178-K180 PolarHBondContact O-N 3.14Å; K178-G181 WeakPolarHBondContact O-CA 3.28Å; K178-G181 PolarHBondContact O-N 3.35Å; K178-A186 HydrophobicContact CB-CB 4.1Å; K178-I210 HydrophobicContact CD-CG1 4.34Å; K178-E213 WeakPolarHBondContact CE-OE2 3.49Å; K178-E213 IonicContact NZ-OE1 3.14Å; K178-E213 PolarHBondContact NZ-OE1 2.78Å; K178-E213 IonicContact NZ-OE2 2.8Å; K178-E213 PolarHBondContact NZ-OE2 3Å
179	E	86	Confident	90.3	Very high	81 Å²	81	36.4 Å²	36.4	38%	0.379	21%	0.207	S	C	.	.	H	α-helix	trans	-63.5	-34.6	178.2	-172.4	164.5	170.8	0	0	112.6	Y144 I149 N175 A176 G181	Y144-E179 HydrophobicContact CE2-CB 4.44Å; Y144-E179 WeakPolarHBondContact CE2-OE2 3.46Å; Y144-E179 PolarHBondContact OH-OE2 2.99Å; I149-E179 HydrophobicContact CD1-CG 4.22Å; I149-E179 HydrophobicContact CG1-CG 4.41Å; N175-E179 PolarHBondContact O-N 3.07Å; A176-E179 PolarHBondContact O-N 3.12Å; E179-G181 PolarHBondContact O-N 3.09Å
180	K	87.8	Confident	90.6	Very high	110 Å²	110	36.5 Å²	36.5	48%	0.478	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.7	170.2	-172.2	169.8	175.7	170.7	0	113.7	I149 D150 I153 A176 L177 K178	I149-K180 HydrophobicContact CG2-CB 4.11Å; D150-K180 VanDerWaalsContact OD1-CE 3.26Å; D150-K180 WeakPolarHBondContact OD1-CE 3.36Å; D150-K180 IonicContact OD1-NZ 3.78Å; D150-K180 PolarHBondContact OD1-NZ 2.95Å; I153-K180 HydrophobicContact CD1-CB 4.13Å; I153-K180 HydrophobicContact CD1-CD 3.48Å; I153-K180 VanDerWaalsContact CD1-CD 3.48Å; I153-K180 HydrophobicContact CD1-CG 4.44Å; A176-K180 PolarHBondContact O-N 2.75Å; L177-K180 PolarHBondContact O-N 2.86Å; K178-K180 VanDerWaalsContact C-N 3.28Å; K178-K180 PolarHBondContact O-N 3.14Å
181	G	84.1	Confident	90.6	Very high	55 Å²	55	36.9 Å²	36.9	57%	0.567	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	5.2	-177	0	0	0	0	0	114.8	L177 K178 E179 V183	L177-G181 PolarHBondContact O-N 2.83Å; K178-G181 WeakPolarHBondContact O-CA 3.28Å; K178-G181 PolarHBondContact O-N 3.35Å; E179-G181 PolarHBondContact O-N 3.09Å; G181-V183 VanDerWaalsContact C-N 3.26Å; G181-V183 PolarHBondContact O-N 2.64Å
182	S	89.8	Confident	90.7	Very high	36 Å²	36	38.1 Å²	38.1	25%	0.252	22%	0.219	S	C	.	.			trans	-84.8	64.3	178.3	-58.1	0	0	0	0	111.1	L177 A184 E185 A186	L177-S182 WeakPolarHBondContact O-CA 3.44Å; L177-S182 PolarHBondContact O-N 3.26Å; S182-A184 PolarHBondContact O-N 2.87Å; S182-E185 PolarHBondContact O-N 3.42Å; S182-A186 PolarHBondContact O-N 3.29Å
183	V	87.8	Confident	90.8	Very high	52 Å²	52	37.9 Å²	37.9	32%	0.315	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-38.3	-169.9	-179.4	0	0	0	0	113.1	G181 A186 E187 I210	G181-V183 VanDerWaalsContact C-N 3.26Å; G181-V183 PolarHBondContact O-N 2.64Å; V183-A186 WeakPolarHBondContact O-CB 3.25Å; V183-A186 PolarHBondContact O-N 2.95Å; V183-E187 PolarHBondContact O-N 2.96Å; V183-I210 HydrophobicContact CG1-CD1 4.32Å; V183-I210 HydrophobicContact CG1-CG1 4.48Å; V183-I210 HydrophobicContact CG1-CG2 3.96Å
184	A	87.1	Confident	90.7	Very high	72 Å²	72	38.6 Å²	38.6	60%	0.595	22%	0.221	S	C	*	.	H	α-helix	trans	-64.5	-46	179.5	0	0	0	0	0	111.9	S182 A186 E187 D188	S182-A184 PolarHBondContact O-N 2.87Å; A184-A186 VanDerWaalsContact C-N 3.32Å; A184-A186 PolarHBondContact O-N 3.1Å; A184-E187 WeakPolarHBondContact O-CB 3.48Å; A184-E187 PolarHBondContact O-N 2.86Å; A184-D188 PolarHBondContact O-N 3.23Å
185	E	91.6	Very high	90.9	Very high	91 Å²	91	46.8 Å²	46.8	43%	0.425	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-36.5	176.4	-66.3	-174.9	-145.8	0	0	111.8	R157 L177 S182 E187 D188 C189	R157-E185 IonicContact NH2-OE2 3.89Å; R157-E185 PolarHBondContact NH2-OE2 2.91Å; L177-E185 HydrophobicContact CD1-CB 3.91Å; L177-E185 HydrophobicContact CD2-CB 4.44Å; S182-E185 PolarHBondContact O-N 3.42Å; E185-E187 VanDerWaalsContact C-N 3.35Å; E185-D188 PolarHBondContact O-N 3.28Å; E185-C189 WeakPolarHBondContact O-CB 3.33Å; E185-C189 PolarHBondContact O-N 2.99Å; E185-C189 PolarHBondContact O-SG 3.41Å
186	A	90.7	Very high	91	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-43.9	173.9	0	0	0	0	0	111.4	A174 L177 K178 S182 V183 A184 D188 C189 Y190 I210	A174-A186 HydrophobicContact CB-CB 4.28Å; A174-A186 WeakPolarHBondContact CB-O 3.47Å; A174-A186 VanDerWaalsContact O-CB 3.28Å; A174-A186 WeakPolarHBondContact O-CB 3.19Å; L177-A186 HydrophobicContact CB-CB 3.98Å; K178-A186 HydrophobicContact CB-CB 4.1Å; S182-A186 PolarHBondContact O-N 3.29Å; V183-A186 WeakPolarHBondContact O-CB 3.25Å; V183-A186 PolarHBondContact O-N 2.95Å; A184-A186 VanDerWaalsContact C-N 3.32Å; A184-A186 PolarHBondContact O-N 3.1Å; A186-D188 PolarHBondContact O-N 3.33Å; A186-C189 PolarHBondContact O-N 2.9Å; A186-Y190 HydrophobicContact CB-CE2 4.42Å; A186-Y190 WeakPolarHBondContact O-CD2 3.45Å; A186-Y190 PolarHBondContact O-N 3.36Å; A186-I210 HydrophobicContact CB-CD1 4.19Å
187	E	92.1	Very high	91.1	Very high	35 Å²	35	50.8 Å²	50.8	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-45.6	176.6	-161.3	-175.4	142.3	0	0	111.9	V183 A184 E185 C189 Y190 N191 L207 K211 Q214	V183-E187 PolarHBondContact O-N 2.96Å; A184-E187 WeakPolarHBondContact O-CB 3.48Å; A184-E187 PolarHBondContact O-N 2.86Å; E185-E187 VanDerWaalsContact C-N 3.35Å; E187-C189 VanDerWaalsContact C-N 3.29Å; E187-C189 PolarHBondContact O-N 3.14Å; E187-Y190 PolarHBondContact O-N 3.3Å; E187-N191 WeakPolarHBondContact O-CB 3.35Å; E187-N191 PolarHBondContact O-N 2.89Å; E187-N191 PolarHBondContact O-ND2 3.17Å; E187-N191 VanDerWaalsContact O-ND2 3.16Å; E187-L207 HydrophobicContact CG-CD1 3.54Å; E187-K211 VanDerWaalsContact OE1-CE 3.28Å; E187-K211 WeakPolarHBondContact OE1-CE 3.29Å; E187-K211 IonicContact OE1-NZ 3.67Å; E187-K211 PolarHBondContact OE1-NZ 2.88Å; E187-K211 IonicContact OE2-NZ 3.74Å; E187-K211 PolarHBondContact OE2-NZ 3.46Å; E187-K211 VanDerWaalsContact OE2-NZ 3.12Å; E187-Q214 PolarHBondContact OE2-NE2 3.26Å
188	D	93.6	Very high	91.2	Very high	97 Å²	97	54 Å²	54	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-38.1	176.3	-76.8	-25	0	0	0	112.4	A184 E185 A186 N191 T192	A184-D188 PolarHBondContact O-N 3.23Å; E185-D188 PolarHBondContact O-N 3.28Å; A186-D188 PolarHBondContact O-N 3.33Å; D188-N191 PolarHBondContact O-N 2.84Å; D188-T192 WeakPolarHBondContact O-CB 3.31Å; D188-T192 PolarHBondContact O-N 3.38Å; D188-T192 PolarHBondContact O-OG1 3.02Å
189	C	94.3	Very high	91.5	Very high	17 Å²	17	56 Å²	56	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-45.4	175.3	-70.3	0	0	0	0	111.7	A174 E185 A186 E187 N191 T192 A193	A174-C189 HydrophobicContact CB-CB 3.63Å; E185-C189 WeakPolarHBondContact O-CB 3.33Å; E185-C189 PolarHBondContact O-N 2.99Å; E185-C189 PolarHBondContact O-SG 3.41Å; A186-C189 PolarHBondContact O-N 2.9Å; E187-C189 VanDerWaalsContact C-N 3.29Å; E187-C189 PolarHBondContact O-N 3.14Å; C189-N191 PolarHBondContact O-N 2.88Å; C189-T192 PolarHBondContact O-N 3Å; C189-A193 PolarHBondContact O-N 3.36Å
190	Y	94.1	Very high	91.7	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-43.1	173.8	-68.3	-55.2	0	0	0	112.1	A174 N175 A186 E187 T192 A193 L194 N206 L207 I210	A174-Y190 HydrophobicContact CB-CD1 3.61Å; A174-Y190 HydrophobicContact CB-CD2 3.81Å; A174-Y190 HydrophobicContact CB-CE1 3.39Å; A174-Y190 HydrophobicContact CB-CE2 3.6Å; A174-Y190 HydrophobicContact CB-CG 3.8Å; N175-Y190 PolarHBondContact N-OH 3.4Å; N175-Y190 PolarHBondContact OD1-OH 3.36Å; A186-Y190 HydrophobicContact CB-CE2 4.42Å; A186-Y190 WeakPolarHBondContact O-CD2 3.45Å; A186-Y190 PolarHBondContact O-N 3.36Å; E187-Y190 PolarHBondContact O-N 3.3Å; Y190-T192 VanDerWaalsContact C-N 3.26Å; Y190-T192 PolarHBondContact O-N 2.87Å; Y190-A193 WeakPolarHBondContact O-CB 3.42Å; Y190-A193 PolarHBondContact O-N 3.16Å; Y190-L194 VanDerWaalsContact O-CG 3.3Å; Y190-L194 WeakPolarHBondContact O-CG 3.35Å; Y190-L194 PolarHBondContact O-N 2.98Å; Y190-N206 HydrophobicContact CD1-CB 4.28Å; Y190-N206 HydrophobicContact CE1-CB 3.53Å; Y190-N206 HydrophobicContact CE2-CB 4.15Å; Y190-N206 VanDerWaalsContact CZ-CB 3.47Å; Y190-L207 HydrophobicContact CG-CB 4.48Å; Y190-I210 HydrophobicContact CD2-CD1 3.84Å; Y190-I210 HydrophobicContact CE2-CD1 3.53Å; Y190-I210 HydrophobicContact CE2-CG1 4.5Å
191	N	94.6	Very high	91.8	Very high	49 Å²	49	48 Å²	48	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-37.5	175.8	-77.3	-40.3	0	0	0	111.4	E187 D188 C189 L194 R195	E187-N191 WeakPolarHBondContact O-CB 3.35Å; E187-N191 PolarHBondContact O-N 2.89Å; E187-N191 PolarHBondContact O-ND2 3.17Å; E187-N191 VanDerWaalsContact O-ND2 3.16Å; D188-N191 PolarHBondContact O-N 2.84Å; C189-N191 PolarHBondContact O-N 2.88Å; N191-L194 PolarHBondContact O-N 2.93Å; N191-R195 WeakPolarHBondContact O-CG 3.36Å; N191-R195 PolarHBondContact O-N 3.09Å
192	T	94.9	Very high	92	Very high	27 Å²	27	47.6 Å²	47.6	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-46	174.4	-56.4	0	0	0	0	111.5	Y170 D188 C189 Y190 L194 R195 L196	Y170-T192 HydrophobicContact CD1-CG2 3.91Å; Y170-T192 HydrophobicContact CD2-CG2 4.25Å; Y170-T192 HydrophobicContact CE1-CG2 3.64Å; Y170-T192 HydrophobicContact CE2-CG2 4.01Å; Y170-T192 HydrophobicContact CG-CG2 4.2Å; D188-T192 WeakPolarHBondContact O-CB 3.31Å; D188-T192 PolarHBondContact O-N 3.38Å; D188-T192 PolarHBondContact O-OG1 3.02Å; C189-T192 PolarHBondContact O-N 3Å; Y190-T192 VanDerWaalsContact C-N 3.26Å; Y190-T192 PolarHBondContact O-N 2.87Å; T192-L194 VanDerWaalsContact C-N 3.26Å; T192-L194 PolarHBondContact O-N 3.28Å; T192-R195 PolarHBondContact O-N 3.22Å; T192-R195 VanDerWaalsContact O-N 3.15Å; T192-R195 PolarHBondContact OG1-NH2 2.99Å; T192-L196 HydrophobicContact CG2-CD1 4.32Å; T192-L196 WeakPolarHBondContact O-CG 3.38Å; T192-L196 PolarHBondContact O-N 2.84Å
193	A	93.7	Very high	92.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.7	-42.6	174.3	0	0	0	0	0	111.6	P167 C189 Y190 L196 C197 S203	P167-A193 HydrophobicContact CB-CB 4.47Å; P167-A193 WeakPolarHBondContact O-CB 3.42Å; C189-A193 PolarHBondContact O-N 3.36Å; Y190-A193 WeakPolarHBondContact O-CB 3.42Å; Y190-A193 PolarHBondContact O-N 3.16Å; A193-L196 PolarHBondContact O-N 2.72Å; A193-C197 PolarHBondContact O-N 2.88Å; A193-S203 WeakPolarHBondContact CB-OG 3.48Å
194	L	93.8	Very high	92.4	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.12	24%	0.238	C	C	.	.	H	α-helix	trans	-74.3	-27.1	178.7	-66.6	173.2	0	0	0	114.1	Y190 N191 T192 C197 P198 H200 L204 L207	Y190-L194 VanDerWaalsContact O-CG 3.3Å; Y190-L194 WeakPolarHBondContact O-CG 3.35Å; Y190-L194 PolarHBondContact O-N 2.98Å; N191-L194 PolarHBondContact O-N 2.93Å; T192-L194 VanDerWaalsContact C-N 3.26Å; T192-L194 PolarHBondContact O-N 3.28Å; L194-C197 CarbonylContact O-C 3.6Å; L194-P198 WeakPolarHBondContact O-CA 3.15Å; L194-P198 WeakPolarHBondContact O-CG 3.47Å; L194-P198 VanDerWaalsContact O-N 3.13Å; L194-H200 HydrophobicContact CD2-CB 4.31Å; L194-L204 HydrophobicContact CD1-CD2 3.9Å; L194-L204 HydrophobicContact CD2-CD2 3.68Å; L194-L204 HydrophobicContact CD2-CG 3.64Å; L194-L204 HydrophobicContact CG-CD2 4.45Å; L194-L207 HydrophobicContact CD1-CD2 3.69Å
195	R	95.6	Very high	92.7	Very high	172 Å²	172	40.1 Å²	40.1	65%	0.649	21%	0.21	S	C	*	.	H	α-helix	trans	-67.2	-40.2	169	-79.3	-172.9	-67	-107.5	3.5	111.3	N191 T192	N191-R195 WeakPolarHBondContact O-CG 3.36Å; N191-R195 PolarHBondContact O-N 3.09Å; T192-R195 PolarHBondContact O-N 3.22Å; T192-R195 VanDerWaalsContact O-N 3.15Å; T192-R195 PolarHBondContact OG1-NH2 2.99Å
196	L	93	Very high	92.7	Very high	61 Å²	61	36 Å²	36	32%	0.319	19%	0.191	S	C	.	.	H	α-helix	trans	-73.6	-39.7	178.3	-65.4	172.5	0	0	0	111.9	P167 Y170 T192 A193	P167-L196 HydrophobicContact CG-CB 3.92Å; Y170-L196 HydrophobicContact CD2-CD1 3.77Å; Y170-L196 HydrophobicContact CE2-CD1 3.67Å; T192-L196 HydrophobicContact CG2-CD1 4.32Å; T192-L196 WeakPolarHBondContact O-CG 3.38Å; T192-L196 PolarHBondContact O-N 2.84Å; A193-L196 PolarHBondContact O-N 2.72Å
197	C	92.6	Very high	92.8	Very high	34 Å²	34	36.3 Å²	36.3	23%	0.23	19%	0.192	C	C	.	.			trans	-139.7	93.1	178.9	-174.7	0	0	0	0	110.6	P167 A193 L194 T199 H200	P167-C197 HydrophobicContact CB-CB 4.02Å; P167-C197 HydrophobicContact CG-CB 3.75Å; A193-C197 PolarHBondContact O-N 2.88Å; L194-C197 CarbonylContact O-C 3.6Å; C197-T199 PolarHBondContact O-N 2.7Å; C197-H200 HydrophobicContact CB-CB 4.12Å; C197-H200 WeakPolarHBondContact O-CB 3.36Å; C197-H200 PolarHBondContact O-N 3.28Å; C197-H200 VanDerWaalsContact O-N 3.07Å
198	P	92.4	Very high	92.8	Very high	71 Å²	71	34.6 Å²	34.6	46%	0.461	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.4	-178.8	-26.4	35.4	0	0	0	115.4	L194	L194-P198 WeakPolarHBondContact O-CA 3.15Å; L194-P198 WeakPolarHBondContact O-CG 3.47Å; L194-P198 VanDerWaalsContact O-N 3.13Å
199	T	92.1	Very high	92.6	Very high	90 Å²	90	30 Å²	30	55%	0.552	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	23	178.8	57.9	0	0	0	0	112.1	C197 A201 V230	C197-T199 PolarHBondContact O-N 2.7Å; T199-A201 PolarHBondContact O-N 3.39Å; T199-V230 HydrophobicContact CG2-CG2 4.29Å; T199-V230 WeakPolarHBondContact O-CG1 3.46Å
200	H	90.8	Very high	92.4	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.069	16%	0.155	C	C	.	.			trans	-82.5	95.4	175.9	-167.7	-102	0	0	0	110.6	D168 L194 C197 D202 S203 L204	D168-H200 IonicContact OD1-CD2 3.75Å; D168-H200 IonicContact OD1-NE2 3.57Å; D168-H200 PolarHBondContact OD1-NE2 2.94Å; L194-H200 HydrophobicContact CD2-CB 4.31Å; C197-H200 HydrophobicContact CB-CB 4.12Å; C197-H200 WeakPolarHBondContact O-CB 3.36Å; C197-H200 PolarHBondContact O-N 3.28Å; C197-H200 VanDerWaalsContact O-N 3.07Å; H200-D202 PolarHBondContact O-N 3.1Å; H200-S203 PolarHBondContact CE1-OG 3.22Å; H200-S203 WeakPolarHBondContact ND1-CB 3.21Å; H200-S203 PolarHBondContact ND1-N 3.15Å; H200-S203 PolarHBondContact ND1-OG 2.99Å; H200-S203 PolarHBondContact O-N 3.34Å; H200-L204 PolarHBondContact O-N 3.05Å; H200-L204 VanDerWaalsContact O-N 3.13Å
201	A	89.6	Confident	92	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-42	-170.3	0	0	0	0	0	113.6	T199 S203 L204 N205 V230 F231 F234	T199-A201 PolarHBondContact O-N 3.39Å; A201-S203 PolarHBondContact O-N 2.89Å; A201-L204 WeakPolarHBondContact O-CB 3.41Å; A201-L204 PolarHBondContact O-N 2.94Å; A201-N205 PolarHBondContact O-N 3.28Å; A201-V230 HydrophobicContact CB-CG1 4.18Å; A201-F231 HydrophobicContact CB-CB 3.92Å; A201-F234 HydrophobicContact CB-CD1 4.24Å; A201-F234 HydrophobicContact CB-CE1 4.3Å
202	D	88.8	Confident	91.6	Very high	46 Å²	46	30.2 Å²	30.2	25%	0.246	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-42	178.9	-67.7	-79.6	0	0	0	112.5	H200 L204 N205 N206 F234	H200-D202 PolarHBondContact O-N 3.1Å; D202-L204 PolarHBondContact O-N 2.88Å; D202-N205 PolarHBondContact O-N 2.79Å; D202-N206 VanDerWaalsContact O-CB 3.3Å; D202-N206 WeakPolarHBondContact O-CB 3.32Å; D202-N206 PolarHBondContact O-N 3.39Å; D202-F234 WeakPolarHBondContact OD1-CZ 3.48Å
203	S	91.3	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-35.3	175.5	-64.6	0	0	0	0	112.3	C171 A193 H200 A201 L207	C171-S203 WeakPolarHBondContact CB-OG 3.48Å; C171-S203 PolarHBondContact SG-OG 3.35Å; A193-S203 WeakPolarHBondContact CB-OG 3.48Å; H200-S203 PolarHBondContact CE1-OG 3.22Å; H200-S203 WeakPolarHBondContact ND1-CB 3.21Å; H200-S203 PolarHBondContact ND1-N 3.15Å; H200-S203 PolarHBondContact ND1-OG 2.99Å; H200-S203 PolarHBondContact O-N 3.34Å; A201-S203 PolarHBondContact O-N 2.89Å; S203-L207 WeakPolarHBondContact O-CB 3.44Å; S203-L207 PolarHBondContact O-N 2.83Å
204	L	94.9	Very high	90.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-49.1	173.6	-70.1	170.2	0	0	0	111.2	L194 H200 A201 D202 A208 L223 K226 A227 V230	L194-L204 HydrophobicContact CD1-CD2 3.9Å; L194-L204 HydrophobicContact CD2-CD2 3.68Å; L194-L204 HydrophobicContact CD2-CG 3.64Å; L194-L204 HydrophobicContact CG-CD2 4.45Å; H200-L204 PolarHBondContact O-N 3.05Å; H200-L204 VanDerWaalsContact O-N 3.13Å; A201-L204 WeakPolarHBondContact O-CB 3.41Å; A201-L204 PolarHBondContact O-N 2.94Å; D202-L204 PolarHBondContact O-N 2.88Å; L204-A208 VanDerWaalsContact O-CB 3.32Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 2.72Å; L204-L223 HydrophobicContact CD2-CD2 3.92Å; L204-K226 HydrophobicContact CD1-CB 4.24Å; L204-K226 HydrophobicContact CD1-CD 4.17Å; L204-K226 HydrophobicContact CD1-CG 3.84Å; L204-K226 HydrophobicContact CD2-CD 3.86Å; L204-K226 HydrophobicContact CD2-CG 4.33Å; L204-A227 HydrophobicContact CB-CB 3.74Å; L204-A227 HydrophobicContact CD1-CB 4.44Å; L204-V230 HydrophobicContact CD1-CG2 4.28Å
205	N	92.1	Very high	89.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-42.1	178.5	173.2	81.1	0	0	0	112.4	A201 D202 A208 N209 Y224 A227 F234 A237 N240	A201-N205 PolarHBondContact O-N 3.28Å; D202-N205 PolarHBondContact O-N 2.79Å; N205-A208 WeakPolarHBondContact O-CB 3.25Å; N205-A208 PolarHBondContact O-N 2.75Å; N205-N209 PolarHBondContact O-N 2.92Å; N205-N209 PolarHBondContact O-ND2 2.85Å; N205-Y224 WeakPolarHBondContact OD1-CE1 2.94Å; N205-A227 HydrophobicContact CB-CB 4.42Å; N205-F234 HydrophobicContact CB-CD1 4.45Å; N205-F234 HydrophobicContact CB-CE1 3.62Å; N205-F234 HydrophobicContact CB-CZ 4.09Å; N205-A237 HydrophobicContact CB-CB 4.43Å; N205-A237 VanDerWaalsContact OD1-CA 3.31Å; N205-A237 WeakPolarHBondContact OD1-CA 3.49Å; N205-N240 PolarHBondContact OD1-ND2 3.24Å
206	N	92	Very high	88.8	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-75.5	-36	-177	-66.5	-9.3	0	0	0	112.3	F28 N175 Y190 D202 A208 N209 I210	F28-N206 WeakPolarHBondContact CE1-OD1 3.41Å; N175-N206 PolarHBondContact OD1-ND2 3.07Å; Y190-N206 HydrophobicContact CD1-CB 4.28Å; Y190-N206 HydrophobicContact CE1-CB 3.53Å; Y190-N206 HydrophobicContact CE2-CB 4.15Å; Y190-N206 VanDerWaalsContact CZ-CB 3.47Å; D202-N206 VanDerWaalsContact O-CB 3.3Å; D202-N206 WeakPolarHBondContact O-CB 3.32Å; D202-N206 PolarHBondContact O-N 3.39Å; N206-A208 VanDerWaalsContact C-N 3.32Å; N206-N209 WeakPolarHBondContact O-CB 3.32Å; N206-N209 PolarHBondContact O-N 2.95Å; N206-I210 PolarHBondContact O-N 3.5Å; N206-I210 VanDerWaalsContact O-N 3.13Å
207	L	92.9	Very high	88.3	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-40.1	169.2	-176.5	61.3	0	0	0	111.1	E187 Y190 L194 S203 N209 I210 K211 L223	E187-L207 HydrophobicContact CG-CD1 3.54Å; Y190-L207 HydrophobicContact CG-CB 4.48Å; L194-L207 HydrophobicContact CD1-CD2 3.69Å; S203-L207 WeakPolarHBondContact O-CB 3.44Å; S203-L207 PolarHBondContact O-N 2.83Å; L207-N209 VanDerWaalsContact C-N 3.31Å; L207-N209 PolarHBondContact O-N 2.65Å; L207-I210 PolarHBondContact O-N 3.48Å; L207-K211 WeakPolarHBondContact O-CG 3.27Å; L207-K211 PolarHBondContact O-N 2.82Å; L207-L223 HydrophobicContact CB-CD1 4.23Å; L207-L223 HydrophobicContact CD2-CD1 3.91Å; L207-L223 HydrophobicContact CD2-CD2 4.28Å; L207-L223 HydrophobicContact CG-CD1 3.72Å
208	A	92.8	Very high	88	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-41.4	174.1	0	0	0	0	0	112.1	L204 N205 N206 I210 K211 R212 A220 L223 Y224	L204-A208 VanDerWaalsContact O-CB 3.32Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 2.72Å; N205-A208 WeakPolarHBondContact O-CB 3.25Å; N205-A208 PolarHBondContact O-N 2.75Å; N206-A208 VanDerWaalsContact C-N 3.32Å; A208-I210 PolarHBondContact O-N 2.94Å; A208-K211 PolarHBondContact O-N 2.77Å; A208-R212 WeakPolarHBondContact O-CB 3.36Å; A208-R212 PolarHBondContact O-N 3.1Å; A208-A220 WeakPolarHBondContact O-CB 3.36Å; A208-L223 HydrophobicContact CB-CB 3.59Å; A208-L223 HydrophobicContact CB-CD1 4.38Å; A208-Y224 HydrophobicContact CB-CD1 3.5Å; A208-Y224 VanDerWaalsContact CB-CD1 3.5Å; A208-Y224 HydrophobicContact CB-CD2 3.92Å; A208-Y224 HydrophobicContact CB-CE1 3.37Å; A208-Y224 HydrophobicContact CB-CE2 3.8Å; A208-Y224 HydrophobicContact CB-CG 3.76Å
209	N	89.4	Confident	87.9	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-43.8	174.2	-68.3	-33.9	0	0	0	111.9	N205 N206 L207 R212 E213 Y224 N240	N205-N209 PolarHBondContact O-N 2.92Å; N205-N209 PolarHBondContact O-ND2 2.85Å; N206-N209 WeakPolarHBondContact O-CB 3.32Å; N206-N209 PolarHBondContact O-N 2.95Å; L207-N209 VanDerWaalsContact C-N 3.31Å; L207-N209 PolarHBondContact O-N 2.65Å; N209-R212 WeakPolarHBondContact O-CB 3.18Å; N209-R212 PolarHBondContact O-N 2.99Å; N209-E213 WeakPolarHBondContact O-CG 3.49Å; N209-E213 PolarHBondContact O-N 2.79Å; N209-Y224 WeakPolarHBondContact CA-OH 3.47Å; N209-Y224 PolarHBondContact N-OH 3.03Å; N209-Y224 PolarHBondContact OD1-OH 3.1Å; N209-N240 PolarHBondContact OD1-ND2 2.98Å
210	I	88.2	Confident	87.8	Confident	1 Å²	1	33 Å²	33	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-46.1	175	-74.8	179.8	0	0	0	110.7	K178 V183 A186 Y190 N206 L207 A208 R212 E213 Q214	K178-I210 HydrophobicContact CD-CG1 4.34Å; V183-I210 HydrophobicContact CG1-CD1 4.32Å; V183-I210 HydrophobicContact CG1-CG1 4.48Å; V183-I210 HydrophobicContact CG1-CG2 3.96Å; A186-I210 HydrophobicContact CB-CD1 4.19Å; Y190-I210 HydrophobicContact CD2-CD1 3.84Å; Y190-I210 HydrophobicContact CE2-CD1 3.53Å; Y190-I210 HydrophobicContact CE2-CG1 4.5Å; N206-I210 PolarHBondContact O-N 3.5Å; N206-I210 VanDerWaalsContact O-N 3.13Å; L207-I210 PolarHBondContact O-N 3.48Å; A208-I210 PolarHBondContact O-N 2.94Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.8Å; I210-E213 PolarHBondContact O-N 2.79Å; I210-E213 VanDerWaalsContact O-N 3.15Å; I210-Q214 HydrophobicContact CG2-CG 4.25Å; I210-Q214 WeakPolarHBondContact O-CB 3.27Å; I210-Q214 VanDerWaalsContact O-CG 3.3Å; I210-Q214 WeakPolarHBondContact O-CG 3.25Å; I210-Q214 PolarHBondContact O-N 2.89Å
211	K	87.6	Confident	87.9	Confident	30 Å²	30	32.7 Å²	32.7	13%	0.13	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-38.7	179.1	-68	-69.2	162.5	-153.2	0	111.7	E187 L207 A208 Q214 G215 N216 E219 A220 L223	E187-K211 VanDerWaalsContact OE1-CE 3.28Å; E187-K211 WeakPolarHBondContact OE1-CE 3.29Å; E187-K211 IonicContact OE1-NZ 3.67Å; E187-K211 PolarHBondContact OE1-NZ 2.88Å; E187-K211 IonicContact OE2-NZ 3.74Å; E187-K211 PolarHBondContact OE2-NZ 3.46Å; E187-K211 VanDerWaalsContact OE2-NZ 3.12Å; L207-K211 WeakPolarHBondContact O-CG 3.27Å; L207-K211 PolarHBondContact O-N 2.82Å; A208-K211 PolarHBondContact O-N 2.77Å; K211-Q214 PolarHBondContact O-N 2.87Å; K211-G215 PolarHBondContact O-N 2.57Å; K211-N216 HydrophobicContact CB-CB 4.23Å; K211-N216 HydrophobicContact CD-CB 4.18Å; K211-N216 WeakPolarHBondContact O-CA 3.3Å; K211-N216 WeakPolarHBondContact O-CB 3.39Å; K211-N216 PolarHBondContact O-N 2.87Å; K211-E219 HydrophobicContact CD-CG 4.08Å; K211-E219 HydrophobicContact CG-CG 4.04Å; K211-A220 HydrophobicContact CB-CB 4.06Å; K211-L223 HydrophobicContact CG-CD1 3.98Å
212	R	84.9	Confident	88.1	Confident	41 Å²	41	39.6 Å²	39.6	16%	0.155	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-48.9	172.1	-176.8	-174.5	71.4	-169.2	-0.7	111.5	A208 N209 I210 Q214 G215 I217 A220 Y224 N240 V244	A208-R212 WeakPolarHBondContact O-CB 3.36Å; A208-R212 PolarHBondContact O-N 3.1Å; N209-R212 WeakPolarHBondContact O-CB 3.18Å; N209-R212 PolarHBondContact O-N 2.99Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 2.8Å; R212-Q214 VanDerWaalsContact C-N 3.26Å; R212-Q214 PolarHBondContact O-N 3.12Å; R212-G215 PolarHBondContact O-N 3.1Å; R212-I217 HydrophobicContact CG-CD1 4.3Å; R212-A220 HydrophobicContact CB-CB 3.98Å; R212-Y224 PolarHBondContact NH1-OH 3Å; R212-N240 PolarHBondContact NH1-OD1 3.02Å; R212-V244 HydrophobicContact CG-CG2 3.92Å
213	E	79.5	Confident	88.4	Confident	108 Å²	108	38 Å²	38	51%	0.505	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-31.1	178.2	-73.3	164.5	-163.4	0	0	112.5	K178 N209 I210 G215	K178-E213 WeakPolarHBondContact CE-OE2 3.49Å; K178-E213 IonicContact NZ-OE1 3.14Å; K178-E213 PolarHBondContact NZ-OE1 2.78Å; K178-E213 IonicContact NZ-OE2 2.8Å; K178-E213 PolarHBondContact NZ-OE2 3Å; N209-E213 WeakPolarHBondContact O-CG 3.49Å; N209-E213 PolarHBondContact O-N 2.79Å; I210-E213 PolarHBondContact O-N 2.79Å; I210-E213 VanDerWaalsContact O-N 3.15Å; E213-G215 VanDerWaalsContact C-N 3.27Å; E213-G215 PolarHBondContact O-N 3.15Å
214	Q	81.5	Confident	88.6	Confident	80 Å²	80	38 Å²	38	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.5	173	-69.7	171.7	-8.5	0	0	113.7	E187 I210 K211 R212 N216	E187-Q214 PolarHBondContact OE2-NE2 3.26Å; I210-Q214 HydrophobicContact CG2-CG 4.25Å; I210-Q214 WeakPolarHBondContact O-CB 3.27Å; I210-Q214 VanDerWaalsContact O-CG 3.3Å; I210-Q214 WeakPolarHBondContact O-CG 3.25Å; I210-Q214 PolarHBondContact O-N 2.89Å; K211-Q214 PolarHBondContact O-N 2.87Å; R212-Q214 VanDerWaalsContact C-N 3.26Å; R212-Q214 PolarHBondContact O-N 3.12Å; Q214-N216 VanDerWaalsContact C-N 3.32Å; Q214-N216 PolarHBondContact OE1-ND2 3.13Å
215	G	75.4	Confident	88.7	Confident	48 Å²	48	43.1 Å²	43.1	50%	0.495	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	5.3	-175.9	0	0	0	0	0	115.1	K211 R212 E213 I217	K211-G215 PolarHBondContact O-N 2.57Å; R212-G215 PolarHBondContact O-N 3.1Å; E213-G215 VanDerWaalsContact C-N 3.27Å; E213-G215 PolarHBondContact O-N 3.15Å; G215-I217 VanDerWaalsContact C-N 3.26Å; G215-I217 PolarHBondContact O-N 3.19Å
216	N	83.1	Confident	88.8	Confident	75 Å²	75	47.1 Å²	47.1	40%	0.401	22%	0.223	S	C	.	.			trans	-82.9	68.8	176.1	-65.5	-44	0	0	0	110.4	K211 Q214 E219 A220	K211-N216 HydrophobicContact CB-CB 4.23Å; K211-N216 HydrophobicContact CD-CB 4.18Å; K211-N216 WeakPolarHBondContact O-CA 3.3Å; K211-N216 WeakPolarHBondContact O-CB 3.39Å; K211-N216 PolarHBondContact O-N 2.87Å; Q214-N216 VanDerWaalsContact C-N 3.32Å; Q214-N216 PolarHBondContact OE1-ND2 3.13Å; N216-E219 HydrophobicContact CB-CB 4.41Å; N216-E219 PolarHBondContact O-N 3.33Å; N216-A220 PolarHBondContact O-N 3.13Å
217	I	83.4	Confident	88.9	Confident	37 Å²	37	46.9 Å²	46.9	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-42.8	-167.5	-57.8	-54.7	0	0	0	112.8	R212 G215 E219 A220 V221 V244 Q248	R212-I217 HydrophobicContact CG-CD1 4.3Å; G215-I217 VanDerWaalsContact C-N 3.26Å; G215-I217 PolarHBondContact O-N 3.19Å; I217-E219 VanDerWaalsContact C-N 3.29Å; I217-E219 PolarHBondContact O-N 3.02Å; I217-A220 WeakPolarHBondContact O-CB 3.29Å; I217-A220 PolarHBondContact O-N 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.4Å; I217-V221 PolarHBondContact O-N 3.19Å; I217-V244 HydrophobicContact CG2-CG1 3.5Å; I217-Q248 HydrophobicContact CG2-CG 4.35Å
218	E	86.2	Confident	89	Confident	131 Å²	131	47.5 Å²	47.5	61%	0.612	23%	0.225	S	C	*	.	H	α-helix	trans	-61.6	-41.8	-178.9	-67.1	68.8	-149.7	0	0	111.2	V221 R222	E218-V221 PolarHBondContact O-N 2.78Å; E218-R222 PolarHBondContact O-N 3.18Å
219	E	88.9	Confident	89.1	Confident	58 Å²	58	54.7 Å²	54.7	27%	0.271	26%	0.258	S	S	.	.	H	α-helix	trans	-68.6	-40.4	178.5	-177.1	56.4	-163.4	0	0	111.3	K211 N216 I217 V221 R222 L223	K211-E219 HydrophobicContact CD-CG 4.08Å; K211-E219 HydrophobicContact CG-CG 4.04Å; N216-E219 HydrophobicContact CB-CB 4.41Å; N216-E219 PolarHBondContact O-N 3.33Å; I217-E219 VanDerWaalsContact C-N 3.29Å; I217-E219 PolarHBondContact O-N 3.02Å; E219-V221 PolarHBondContact O-N 2.75Å; E219-R222 VanDerWaalsContact CD-NH2 3.25Å; E219-R222 WeakPolarHBondContact O-CB 3.48Å; E219-R222 PolarHBondContact O-N 2.88Å; E219-R222 IonicContact OE1-CZ 3.68Å; E219-R222 IonicContact OE1-NE 3.51Å; E219-R222 PolarHBondContact OE1-NE 3.32Å; E219-R222 IonicContact OE1-NH2 2.72Å; E219-R222 PolarHBondContact OE1-NH2 3.48Å; E219-R222 IonicContact OE2-CZ 3.72Å; E219-R222 IonicContact OE2-NE 2.71Å; E219-R222 PolarHBondContact OE2-NE 2.75Å; E219-R222 IonicContact OE2-NH2 3.73Å; E219-R222 PolarHBondContact OE2-NH2 3.45Å; E219-L223 HydrophobicContact CG-CD1 4.16Å; E219-L223 WeakPolarHBondContact O-CB 3.5Å; E219-L223 WeakPolarHBondContact O-CG 3.37Å; E219-L223 PolarHBondContact O-N 2.92Å
220	A	90.7	Very high	89.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-47.7	173.3	0	0	0	0	0	111.7	A208 K211 R212 N216 I217 R222 L223 Y224	A208-A220 WeakPolarHBondContact O-CB 3.36Å; K211-A220 HydrophobicContact CB-CB 4.06Å; R212-A220 HydrophobicContact CB-CB 3.98Å; N216-A220 PolarHBondContact O-N 3.13Å; I217-A220 WeakPolarHBondContact O-CB 3.29Å; I217-A220 PolarHBondContact O-N 3.3Å; A220-R222 VanDerWaalsContact C-N 3.32Å; A220-R222 PolarHBondContact O-N 3.11Å; A220-L223 PolarHBondContact O-N 2.83Å; A220-Y224 HydrophobicContact CB-CE2 4.13Å; A220-Y224 WeakPolarHBondContact O-CD2 3.49Å; A220-Y224 PolarHBondContact O-N 2.94Å
221	V	92.5	Very high	89.6	Confident	8 Å²	8	61.7 Å²	61.7	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-43.2	177	171.4	0	0	0	0	111.3	I217 E218 E219 Y224 R225 L241 V244	I217-V221 WeakPolarHBondContact O-CG2 3.4Å; I217-V221 PolarHBondContact O-N 3.19Å; E218-V221 PolarHBondContact O-N 2.78Å; E219-V221 PolarHBondContact O-N 2.75Å; V221-Y224 PolarHBondContact O-N 2.56Å; V221-R225 WeakPolarHBondContact O-CG 3.46Å; V221-R225 PolarHBondContact O-N 3.31Å; V221-L241 HydrophobicContact CB-CD1 4.44Å; V221-L241 HydrophobicContact CG1-CD1 4.01Å; V221-L241 HydrophobicContact CG2-CD1 4.31Å; V221-V244 HydrophobicContact CG2-CB 4.4Å; V221-V244 HydrophobicContact CG2-CG1 3.51Å
222	R	94.9	Very high	89.8	Confident	155 Å²	155	64.2 Å²	64.2	59%	0.585	31%	0.312	S	S	*	.	H	α-helix	trans	-59.9	-46.1	177	-172.1	179.1	74.1	132.2	2.8	111.5	E218 E219 A220 R225 K226	E218-R222 PolarHBondContact O-N 3.18Å; E219-R222 VanDerWaalsContact CD-NH2 3.25Å; E219-R222 WeakPolarHBondContact O-CB 3.48Å; E219-R222 PolarHBondContact O-N 2.88Å; E219-R222 IonicContact OE1-CZ 3.68Å; E219-R222 IonicContact OE1-NE 3.51Å; E219-R222 PolarHBondContact OE1-NE 3.32Å; E219-R222 IonicContact OE1-NH2 2.72Å; E219-R222 PolarHBondContact OE1-NH2 3.48Å; E219-R222 IonicContact OE2-CZ 3.72Å; E219-R222 IonicContact OE2-NE 2.71Å; E219-R222 PolarHBondContact OE2-NE 2.75Å; E219-R222 IonicContact OE2-NH2 3.73Å; E219-R222 PolarHBondContact OE2-NH2 3.45Å; A220-R222 VanDerWaalsContact C-N 3.32Å; A220-R222 PolarHBondContact O-N 3.11Å; R222-R225 PolarHBondContact O-N 3.49Å; R222-K226 WeakPolarHBondContact O-CB 3.42Å; R222-K226 PolarHBondContact O-N 3.01Å
223	L	95.2	Very high	90.2	Very high	11 Å²	11	67.5 Å²	67.5	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-41.5	-179.9	-71	170.3	0	0	0	112.5	L204 L207 A208 K211 E219 A220 K226 A227	L204-L223 HydrophobicContact CD2-CD2 3.92Å; L207-L223 HydrophobicContact CB-CD1 4.23Å; L207-L223 HydrophobicContact CD2-CD1 3.91Å; L207-L223 HydrophobicContact CD2-CD2 4.28Å; L207-L223 HydrophobicContact CG-CD1 3.72Å; A208-L223 HydrophobicContact CB-CB 3.59Å; A208-L223 HydrophobicContact CB-CD1 4.38Å; K211-L223 HydrophobicContact CG-CD1 3.98Å; E219-L223 HydrophobicContact CG-CD1 4.16Å; E219-L223 WeakPolarHBondContact O-CB 3.5Å; E219-L223 WeakPolarHBondContact O-CG 3.37Å; E219-L223 PolarHBondContact O-N 2.92Å; A220-L223 PolarHBondContact O-N 2.83Å; L223-K226 PolarHBondContact O-N 3.39Å; L223-A227 PolarHBondContact O-N 3.18Å
224	Y	95.4	Very high	90.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-43.7	173.7	-68.8	-56	0	0	0	112.1	N205 A208 N209 R212 A220 V221 K226 A227 L228 N240 L241 V244	N205-Y224 WeakPolarHBondContact OD1-CE1 2.94Å; A208-Y224 HydrophobicContact CB-CD1 3.5Å; A208-Y224 VanDerWaalsContact CB-CD1 3.5Å; A208-Y224 HydrophobicContact CB-CD2 3.92Å; A208-Y224 HydrophobicContact CB-CE1 3.37Å; A208-Y224 HydrophobicContact CB-CE2 3.8Å; A208-Y224 HydrophobicContact CB-CG 3.76Å; N209-Y224 WeakPolarHBondContact CA-OH 3.47Å; N209-Y224 PolarHBondContact N-OH 3.03Å; N209-Y224 PolarHBondContact OD1-OH 3.1Å; R212-Y224 PolarHBondContact NH1-OH 3Å; A220-Y224 HydrophobicContact CB-CE2 4.13Å; A220-Y224 WeakPolarHBondContact O-CD2 3.49Å; A220-Y224 PolarHBondContact O-N 2.94Å; V221-Y224 PolarHBondContact O-N 2.56Å; Y224-K226 VanDerWaalsContact C-N 3.33Å; Y224-K226 PolarHBondContact O-N 2.92Å; Y224-A227 WeakPolarHBondContact O-CB 3.42Å; Y224-A227 PolarHBondContact O-N 3.07Å; Y224-A227 VanDerWaalsContact O-N 3.17Å; Y224-L228 WeakPolarHBondContact O-CG 3.42Å; Y224-L228 PolarHBondContact O-N 2.84Å; Y224-N240 HydrophobicContact CD1-CB 4.08Å; Y224-N240 HydrophobicContact CE1-CB 3.42Å; Y224-N240 VanDerWaalsContact CE1-CB 3.42Å; Y224-N240 HydrophobicContact CE2-CB 4.36Å; Y224-L241 HydrophobicContact CD2-CB 4.37Å; Y224-L241 HydrophobicContact CD2-CD1 4.39Å; Y224-L241 HydrophobicContact CG-CB 4.25Å; Y224-V244 HydrophobicContact CE2-CG2 3.96Å
225	R	95.9	Very high	91.3	Very high	111 Å²	111	60.3 Å²	60.3	42%	0.419	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-44.2	176.5	-76	177.2	177	161.1	-2.5	111.4	V221 R222 A227 L228 E229 L241	V221-R225 WeakPolarHBondContact O-CG 3.46Å; V221-R225 PolarHBondContact O-N 3.31Å; R222-R225 PolarHBondContact O-N 3.49Å; R225-A227 VanDerWaalsContact C-N 3.31Å; R225-A227 PolarHBondContact O-N 3.13Å; R225-L228 CarbonylContact O-C 3.45Å; R225-L228 PolarHBondContact O-N 2.86Å; R225-L228 VanDerWaalsContact O-N 3.11Å; R225-E229 WeakPolarHBondContact O-CG 3.24Å; R225-E229 PolarHBondContact O-N 3.21Å; R225-L241 HydrophobicContact CG-CD2 4.08Å
226	K	95.4	Very high	92	Very high	85 Å²	85	59.2 Å²	59.2	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-38.2	175	-167.3	178.9	171.7	-174.2	0	112.1	L204 R222 L223 Y224 L228 E229 V230	L204-K226 HydrophobicContact CD1-CB 4.24Å; L204-K226 HydrophobicContact CD1-CD 4.17Å; L204-K226 HydrophobicContact CD1-CG 3.84Å; L204-K226 HydrophobicContact CD2-CD 3.86Å; L204-K226 HydrophobicContact CD2-CG 4.33Å; R222-K226 WeakPolarHBondContact O-CB 3.42Å; R222-K226 PolarHBondContact O-N 3.01Å; L223-K226 PolarHBondContact O-N 3.39Å; Y224-K226 VanDerWaalsContact C-N 3.33Å; Y224-K226 PolarHBondContact O-N 2.92Å; K226-L228 VanDerWaalsContact C-N 3.3Å; K226-L228 PolarHBondContact O-N 3.02Å; K226-E229 PolarHBondContact O-N 3.33Å; K226-V230 WeakPolarHBondContact O-CG2 3.45Å; K226-V230 PolarHBondContact O-N 3.27Å; K226-V230 VanDerWaalsContact O-N 3.16Å
227	A	94.1	Very high	92.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-40.9	174.1	0	0	0	0	0	111.5	L204 N205 L223 Y224 R225 V230 F231 A237	L204-A227 HydrophobicContact CB-CB 3.74Å; L204-A227 HydrophobicContact CD1-CB 4.44Å; N205-A227 HydrophobicContact CB-CB 4.42Å; L223-A227 PolarHBondContact O-N 3.18Å; Y224-A227 WeakPolarHBondContact O-CB 3.42Å; Y224-A227 PolarHBondContact O-N 3.07Å; Y224-A227 VanDerWaalsContact O-N 3.17Å; R225-A227 VanDerWaalsContact C-N 3.31Å; R225-A227 PolarHBondContact O-N 3.13Å; A227-V230 PolarHBondContact O-N 3.05Å; A227-F231 PolarHBondContact O-N 3.41Å; A227-A237 HydrophobicContact CB-CB 4.42Å
228	L	94.7	Very high	93.1	Very high	18 Å²	18	54.9 Å²	54.9	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-75.4	-28.1	178.2	-65.8	178.2	0	0	0	113.8	Y224 R225 K226 V230 F231 P232 F234 A237 H238 L241	Y224-L228 WeakPolarHBondContact O-CG 3.42Å; Y224-L228 PolarHBondContact O-N 2.84Å; R225-L228 CarbonylContact O-C 3.45Å; R225-L228 PolarHBondContact O-N 2.86Å; R225-L228 VanDerWaalsContact O-N 3.11Å; K226-L228 VanDerWaalsContact C-N 3.3Å; K226-L228 PolarHBondContact O-N 3.02Å; L228-V230 VanDerWaalsContact C-N 3.31Å; L228-F231 CarbonylContact O-C 3.58Å; L228-P232 VanDerWaalsContact O-CA 3.28Å; L228-P232 WeakPolarHBondContact O-CA 3.49Å; L228-P232 WeakPolarHBondContact O-CG 3.28Å; L228-F234 HydrophobicContact CD2-CB 4.04Å; L228-A237 HydrophobicContact CD2-CB 3.66Å; L228-A237 HydrophobicContact CG-CB 4.07Å; L228-H238 WeakPolarHBondContact CD2-CD2 3.41Å; L228-L241 HydrophobicContact CD1-CD2 3.8Å
229	E	95.3	Very high	93.5	Very high	151 Å²	151	48.7 Å²	48.7	71%	0.706	23%	0.232	S	C	*	.	H	α-helix	trans	-64.8	-38.6	170	-75.1	169.9	-169.7	0	0	111.3	R225 K226	R225-E229 WeakPolarHBondContact O-CG 3.24Å; R225-E229 PolarHBondContact O-N 3.21Å; K226-E229 PolarHBondContact O-N 3.33Å
230	V	93.3	Very high	93.7	Very high	55 Å²	55	46 Å²	46	33%	0.333	22%	0.219	S	C	.	.	H	α-helix	trans	-77	-45.3	178.8	170.4	0	0	0	0	111.5	T199 A201 L204 K226 A227 L228	T199-V230 HydrophobicContact CG2-CG2 4.29Å; T199-V230 WeakPolarHBondContact O-CG1 3.46Å; A201-V230 HydrophobicContact CB-CG1 4.18Å; L204-V230 HydrophobicContact CD1-CG2 4.28Å; K226-V230 WeakPolarHBondContact O-CG2 3.45Å; K226-V230 PolarHBondContact O-N 3.27Å; K226-V230 VanDerWaalsContact O-N 3.16Å; A227-V230 PolarHBondContact O-N 3.05Å; L228-V230 VanDerWaalsContact C-N 3.31Å
231	F	93.1	Very high	93.9	Very high	94 Å²	94	46 Å²	46	41%	0.412	22%	0.219	S	C	.	.			trans	-133.6	89.9	-179.4	-176.6	-136.8	0	0	0	110.7	A201 A227 L228 E233 F234	A201-F231 HydrophobicContact CB-CB 3.92Å; A227-F231 PolarHBondContact O-N 3.41Å; L228-F231 CarbonylContact O-C 3.58Å; F231-E233 VanDerWaalsContact C-N 3.26Å; F231-E233 HydrophobicContact CE2-CB 3.86Å; F231-E233 HydrophobicContact CZ-CB 3.98Å; F231-E233 PolarHBondContact O-N 3.25Å; F231-F234 HydrophobicContact CB-CB 4.49Å; F231-F234 HydrophobicContact CD1-CB 3.43Å; F231-F234 VanDerWaalsContact CD1-CB 3.43Å; F231-F234 HydrophobicContact CD1-CD1 4.14Å; F231-F234 HydrophobicContact CD1-CD2 4.4Å; F231-F234 AromaticContact CD1-CG 3.78Å; F231-F234 HydrophobicContact CD1-CG 3.78Å; F231-F234 HydrophobicContact CE1-CB 3.88Å; F231-F234 HydrophobicContact CE1-CD2 4.42Å; F231-F234 HydrophobicContact CE1-CG 4.2Å; F231-F234 HydrophobicContact CG-CB 4.21Å; F231-F234 VanDerWaalsContact O-CB 3.31Å; F231-F234 WeakPolarHBondContact O-CB 3.19Å; F231-F234 PolarHBondContact O-N 3.41Å
232	P	93.4	Very high	94	Very high	82 Å²	82	45.6 Å²	45.6	53%	0.532	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.2	-177.8	-26.6	35.2	0	0	0	114.5	L228 F234 H238	L228-P232 VanDerWaalsContact O-CA 3.28Å; L228-P232 WeakPolarHBondContact O-CA 3.49Å; L228-P232 WeakPolarHBondContact O-CG 3.28Å; P232-F234 PolarHBondContact O-N 3.03Å; P232-H238 PolarHBondContact O-NE2 3.32Å
233	E	93.3	Very high	93.8	Very high	110 Å²	110	39.4 Å²	39.4	51%	0.514	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	27.1	179.1	-60	-162.9	124.5	0	0	112.9	F231 A235 R263 I264	F231-E233 VanDerWaalsContact C-N 3.26Å; F231-E233 HydrophobicContact CE2-CB 3.86Å; F231-E233 HydrophobicContact CZ-CB 3.98Å; F231-E233 PolarHBondContact O-N 3.25Å; E233-A235 PolarHBondContact O-N 3.44Å; E233-R263 IonicContact OE1-NH2 3.64Å; E233-I264 HydrophobicContact CB-CD1 4.49Å; E233-I264 HydrophobicContact CB-CG1 4.5Å; E233-I264 HydrophobicContact CB-CG2 4.34Å; E233-I264 VanDerWaalsContact O-CG2 3.32Å; E233-I264 WeakPolarHBondContact O-CG2 3.34Å
234	F	91.8	Very high	93.4	Very high	24 Å²	24	38.9 Å²	38.9	11%	0.105	20%	0.195	C	C	.	.			trans	-87.3	86.2	177.6	-158.9	174.7	0	0	0	112.1	A201 D202 N205 L228 F231 P232 A236 A237 H238	A201-F234 HydrophobicContact CB-CD1 4.24Å; A201-F234 HydrophobicContact CB-CE1 4.3Å; D202-F234 WeakPolarHBondContact OD1-CZ 3.48Å; N205-F234 HydrophobicContact CB-CD1 4.45Å; N205-F234 HydrophobicContact CB-CE1 3.62Å; N205-F234 HydrophobicContact CB-CZ 4.09Å; L228-F234 HydrophobicContact CD2-CB 4.04Å; F231-F234 HydrophobicContact CB-CB 4.49Å; F231-F234 HydrophobicContact CD1-CB 3.43Å; F231-F234 VanDerWaalsContact CD1-CB 3.43Å; F231-F234 HydrophobicContact CD1-CD1 4.14Å; F231-F234 HydrophobicContact CD1-CD2 4.4Å; F231-F234 AromaticContact CD1-CG 3.78Å; F231-F234 HydrophobicContact CD1-CG 3.78Å; F231-F234 HydrophobicContact CE1-CB 3.88Å; F231-F234 HydrophobicContact CE1-CD2 4.42Å; F231-F234 HydrophobicContact CE1-CG 4.2Å; F231-F234 HydrophobicContact CG-CB 4.21Å; F231-F234 VanDerWaalsContact O-CB 3.31Å; F231-F234 WeakPolarHBondContact O-CB 3.19Å; F231-F234 PolarHBondContact O-N 3.41Å; P232-F234 PolarHBondContact O-N 3.03Å; F234-A236 VanDerWaalsContact C-N 3.28Å; F234-A236 HydrophobicContact CD2-CB 4.09Å; F234-A236 HydrophobicContact CE2-CB 3.76Å; F234-A236 PolarHBondContact O-N 3.39Å; F234-A237 HydrophobicContact CB-CB 3.99Å; F234-A237 HydrophobicContact CD1-CB 3.63Å; F234-A237 HydrophobicContact CD2-CB 4.45Å; F234-A237 HydrophobicContact CE1-CB 4.25Å; F234-A237 HydrophobicContact CG-CB 3.75Å; F234-A237 PolarHBondContact O-N 3.28Å; F234-A237 VanDerWaalsContact O-N 3.12Å; F234-H238 PolarHBondContact O-N 3.13Å; F234-H238 VanDerWaalsContact O-N 3.09Å
235	A	91.9	Very high	93.1	Very high	14 Å²	14	38.9 Å²	38.9	12%	0.116	20%	0.195	C	C	.	.	H	α-helix	trans	-53.7	-40.1	-177.4	0	0	0	0	0	114	E233 H238 S239 A261 I264 F268	E233-A235 PolarHBondContact O-N 3.44Å; A235-H238 PolarHBondContact O-N 3.01Å; A235-S239 PolarHBondContact O-N 3.27Å; A235-A261 HydrophobicContact CB-CB 4.46Å; A235-A261 WeakPolarHBondContact O-CB 3.28Å; A235-I264 HydrophobicContact CB-CB 4.11Å; A235-I264 HydrophobicContact CB-CG2 3.88Å; A235-F268 HydrophobicContact CB-CD1 4.23Å; A235-F268 HydrophobicContact CB-CE1 4.43Å
236	A	90.3	Very high	92.7	Very high	25 Å²	25	34.7 Å²	34.7	21%	0.207	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-41.7	179.2	0	0	0	0	0	112.5	F234 S239 N240	F234-A236 VanDerWaalsContact C-N 3.28Å; F234-A236 HydrophobicContact CD2-CB 4.09Å; F234-A236 HydrophobicContact CE2-CB 3.76Å; F234-A236 PolarHBondContact O-N 3.39Å; A236-S239 PolarHBondContact O-N 3.09Å; A236-N240 WeakPolarHBondContact O-CB 3.44Å; A236-N240 PolarHBondContact O-N 3.3Å; A236-N240 PolarHBondContact O-ND2 2.85Å
237	A	91.9	Very high	92	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.7	-38.4	176.8	0	0	0	0	0	111.9	N205 A227 L228 F234 L241	N205-A237 HydrophobicContact CB-CB 4.43Å; N205-A237 VanDerWaalsContact OD1-CA 3.31Å; N205-A237 WeakPolarHBondContact OD1-CA 3.49Å; A227-A237 HydrophobicContact CB-CB 4.42Å; L228-A237 HydrophobicContact CD2-CB 3.66Å; L228-A237 HydrophobicContact CG-CB 4.07Å; F234-A237 HydrophobicContact CB-CB 3.99Å; F234-A237 HydrophobicContact CD1-CB 3.63Å; F234-A237 HydrophobicContact CD2-CB 4.45Å; F234-A237 HydrophobicContact CE1-CB 4.25Å; F234-A237 HydrophobicContact CG-CB 3.75Å; F234-A237 PolarHBondContact O-N 3.28Å; F234-A237 VanDerWaalsContact O-N 3.12Å; A237-L241 VanDerWaalsContact O-CB 3.22Å; A237-L241 WeakPolarHBondContact O-CB 3.35Å; A237-L241 PolarHBondContact O-N 3.23Å
238	H	96.4	Very high	91.2	Very high	20 Å²	20	38.9 Å²	38.9	9%	0.093	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-50	170.5	-88.8	-81.4	0	0	0	111.9	L228 P232 F234 A235 L241 A242 H257 E260 A261	L228-H238 WeakPolarHBondContact CD2-CD2 3.41Å; P232-H238 PolarHBondContact O-NE2 3.32Å; F234-H238 PolarHBondContact O-N 3.13Å; F234-H238 VanDerWaalsContact O-N 3.09Å; A235-H238 PolarHBondContact O-N 3.01Å; H238-L241 PolarHBondContact O-N 2.76Å; H238-A242 VanDerWaalsContact O-CB 3.3Å; H238-A242 WeakPolarHBondContact O-CB 3.38Å; H238-A242 PolarHBondContact O-N 3.04Å; H238-H257 AromaticContact CE1-ND1 3.59Å; H238-H257 AromaticContact ND1-CG 3.91Å; H238-H257 AromaticContact ND1-ND1 3.05Å; H238-H257 PolarHBondContact ND1-ND1 3.25Å; H238-E260 VanDerWaalsContact CE1-CG 3.42Å; H238-E260 WeakPolarHBondContact CE1-CG 3.43Å; H238-A261 HydrophobicContact CB-CB 3.84Å
239	S	94.4	Very high	90.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-41.1	179.7	-173.2	0	0	0	0	112.9	A235 A236 A242 S243 Y258	A235-S239 PolarHBondContact O-N 3.27Å; A236-S239 PolarHBondContact O-N 3.09Å; S239-A242 PolarHBondContact O-N 3.39Å; S239-S243 PolarHBondContact O-N 3.43Å; S239-Y258 WeakPolarHBondContact O-CE1 3.47Å
240	N	93.2	Very high	90	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-68	-43.7	177.7	-76.8	-35.4	0	0	0	112.5	F26 N205 N209 R212 Y224 A236 A242 S243 V244	F26-N240 VanDerWaalsContact CZ-OD1 3.29Å; F26-N240 WeakPolarHBondContact CZ-OD1 3.23Å; N205-N240 PolarHBondContact OD1-ND2 3.24Å; N209-N240 PolarHBondContact OD1-ND2 2.98Å; R212-N240 PolarHBondContact NH1-OD1 3.02Å; Y224-N240 HydrophobicContact CD1-CB 4.08Å; Y224-N240 HydrophobicContact CE1-CB 3.42Å; Y224-N240 VanDerWaalsContact CE1-CB 3.42Å; Y224-N240 HydrophobicContact CE2-CB 4.36Å; A236-N240 WeakPolarHBondContact O-CB 3.44Å; A236-N240 PolarHBondContact O-N 3.3Å; A236-N240 PolarHBondContact O-ND2 2.85Å; N240-A242 VanDerWaalsContact C-N 3.33Å; N240-S243 WeakPolarHBondContact O-CB 3.25Å; N240-S243 PolarHBondContact O-N 3.03Å; N240-V244 PolarHBondContact O-N 2.81Å; N240-V244 VanDerWaalsContact O-N 3.17Å
241	L	95.1	Very high	89.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-43.7	174.6	177.7	55.6	0	0	0	110.9	V221 Y224 R225 L228 A237 H238 S243 V244 L245 H257	V221-L241 HydrophobicContact CB-CD1 4.44Å; V221-L241 HydrophobicContact CG1-CD1 4.01Å; V221-L241 HydrophobicContact CG2-CD1 4.31Å; Y224-L241 HydrophobicContact CD2-CB 4.37Å; Y224-L241 HydrophobicContact CD2-CD1 4.39Å; Y224-L241 HydrophobicContact CG-CB 4.25Å; R225-L241 HydrophobicContact CG-CD2 4.08Å; L228-L241 HydrophobicContact CD1-CD2 3.8Å; A237-L241 VanDerWaalsContact O-CB 3.22Å; A237-L241 WeakPolarHBondContact O-CB 3.35Å; A237-L241 PolarHBondContact O-N 3.23Å; H238-L241 PolarHBondContact O-N 2.76Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.85Å; L241-V244 PolarHBondContact O-N 3.21Å; L241-L245 HydrophobicContact CD1-CD1 4.06Å; L241-L245 HydrophobicContact CD1-CG 4.1Å; L241-L245 HydrophobicContact CG-CD1 3.85Å; L241-L245 HydrophobicContact CG-CG 4.37Å; L241-L245 VanDerWaalsContact O-CG 3.29Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.1Å; L241-H257 VanDerWaalsContact CD2-CE1 3.47Å; L241-H257 WeakPolarHBondContact CD2-CE1 3.38Å
242	A	94.6	Very high	89.6	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.2	-43.9	175.9	0	0	0	0	0	112	H238 S239 N240 V244 L245 Q246 A254 H257 Y258	H238-A242 VanDerWaalsContact O-CB 3.3Å; H238-A242 WeakPolarHBondContact O-CB 3.38Å; H238-A242 PolarHBondContact O-N 3.04Å; S239-A242 PolarHBondContact O-N 3.39Å; N240-A242 VanDerWaalsContact C-N 3.33Å; A242-V244 VanDerWaalsContact C-N 3.33Å; A242-V244 PolarHBondContact O-N 3.05Å; A242-L245 PolarHBondContact O-N 3.07Å; A242-Q246 WeakPolarHBondContact O-CB 3.33Å; A242-Q246 PolarHBondContact O-N 3.29Å; A242-A254 HydrophobicContact CB-CB 4.4Å; A242-A254 WeakPolarHBondContact CB-O 3.27Å; A242-A254 VanDerWaalsContact O-CB 3.25Å; A242-A254 WeakPolarHBondContact O-CB 3.46Å; A242-H257 HydrophobicContact CB-CB 3.71Å; A242-Y258 HydrophobicContact CB-CD1 3.71Å; A242-Y258 HydrophobicContact CB-CD2 3.65Å; A242-Y258 HydrophobicContact CB-CE1 3.55Å; A242-Y258 HydrophobicContact CB-CE2 3.51Å; A242-Y258 HydrophobicContact CB-CG 3.72Å; A242-Y258 VanDerWaalsContact CB-CZ 3.43Å
243	S	90.6	Very high	89.6	Confident	25 Å²	25	37.8 Å²	37.8	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-40.8	177.9	-177.6	0	0	0	0	112.3	S239 N240 L241 Q246 Q247 Y258	S239-S243 PolarHBondContact O-N 3.43Å; N240-S243 WeakPolarHBondContact O-CB 3.25Å; N240-S243 PolarHBondContact O-N 3.03Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.85Å; S243-Q246 WeakPolarHBondContact O-CB 3.48Å; S243-Q246 PolarHBondContact O-N 3.14Å; S243-Q247 WeakPolarHBondContact O-CG 3.22Å; S243-Q247 PolarHBondContact O-N 3.03Å; S243-Q247 VanDerWaalsContact O-N 3.1Å; S243-Y258 WeakPolarHBondContact CA-OH 3.31Å; S243-Y258 WeakPolarHBondContact CB-OH 3.3Å; S243-Y258 PolarHBondContact N-OH 3.11Å; S243-Y258 VanDerWaalsContact N-OH 3.11Å
244	V	88	Confident	89.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-40.5	176	177.2	0	0	0	0	111.7	R212 I217 V221 Y224 N240 L241 A242 Q246 Q247 Q248	R212-V244 HydrophobicContact CG-CG2 3.92Å; I217-V244 HydrophobicContact CG2-CG1 3.5Å; V221-V244 HydrophobicContact CG2-CB 4.4Å; V221-V244 HydrophobicContact CG2-CG1 3.51Å; Y224-V244 HydrophobicContact CE2-CG2 3.96Å; N240-V244 PolarHBondContact O-N 2.81Å; N240-V244 VanDerWaalsContact O-N 3.17Å; L241-V244 PolarHBondContact O-N 3.21Å; A242-V244 VanDerWaalsContact C-N 3.33Å; A242-V244 PolarHBondContact O-N 3.05Å; V244-Q246 VanDerWaalsContact C-N 3.31Å; V244-Q246 PolarHBondContact O-N 2.88Å; V244-Q247 WeakPolarHBondContact O-CB 3.42Å; V244-Q247 PolarHBondContact O-N 3.03Å; V244-Q248 WeakPolarHBondContact O-CG 3.24Å; V244-Q248 PolarHBondContact O-N 2.94Å
245	L	88.8	Confident	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-37.4	175.9	-69.9	167.9	0	0	0	111.8	L241 A242 Q248 G249 K250 E253 A254	L241-L245 HydrophobicContact CD1-CD1 4.06Å; L241-L245 HydrophobicContact CD1-CG 4.1Å; L241-L245 HydrophobicContact CG-CD1 3.85Å; L241-L245 HydrophobicContact CG-CG 4.37Å; L241-L245 VanDerWaalsContact O-CG 3.29Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.1Å; A242-L245 PolarHBondContact O-N 3.07Å; L245-Q248 CarbonylContact O-C 3.43Å; L245-Q248 PolarHBondContact O-N 3.1Å; L245-G249 PolarHBondContact O-N 3.33Å; L245-K250 HydrophobicContact CB-CB 4.28Å; L245-K250 HydrophobicContact CD2-CB 4.3Å; L245-K250 HydrophobicContact CD2-CD 3.7Å; L245-K250 WeakPolarHBondContact O-CA 3.31Å; L245-K250 WeakPolarHBondContact O-CB 3.2Å; L245-K250 PolarHBondContact O-N 3.03Å; L245-E253 HydrophobicContact CD1-CB 3.95Å; L245-A254 HydrophobicContact CB-CB 4.01Å
246	Q	86.6	Confident	90.1	Very high	23 Å²	23	38 Å²	38	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-48.2	172.6	-176.3	-168.7	1.7	0	0	110.5	A242 S243 V244 Q248 G249 L251 A254 T278 E281	A242-Q246 WeakPolarHBondContact O-CB 3.33Å; A242-Q246 PolarHBondContact O-N 3.29Å; S243-Q246 WeakPolarHBondContact O-CB 3.48Å; S243-Q246 PolarHBondContact O-N 3.14Å; V244-Q246 VanDerWaalsContact C-N 3.31Å; V244-Q246 PolarHBondContact O-N 2.88Å; Q246-Q248 PolarHBondContact O-N 2.68Å; Q246-G249 WeakPolarHBondContact O-CA 3.35Å; Q246-G249 PolarHBondContact O-N 2.87Å; Q246-L251 HydrophobicContact CG-CD2 4Å; Q246-A254 HydrophobicContact CB-CB 4.08Å; Q246-T278 VanDerWaalsContact CD-OG1 3.31Å; Q246-T278 PolarHBondContact OE1-OG1 3.26Å; Q246-E281 PolarHBondContact NE2-OE1 3.03Å
247	Q	80.8	Confident	90.4	Very high	127 Å²	127	38.8 Å²	38.8	59%	0.593	20%	0.2	S	C	*	.	H	α-helix	trans	-60.2	-33.3	175.9	-70.3	173	0.2	0	0	112.8	S243 V244 G249	S243-Q247 WeakPolarHBondContact O-CG 3.22Å; S243-Q247 PolarHBondContact O-N 3.03Å; S243-Q247 VanDerWaalsContact O-N 3.1Å; V244-Q247 WeakPolarHBondContact O-CB 3.42Å; V244-Q247 PolarHBondContact O-N 3.03Å; Q247-G249 PolarHBondContact O-N 3.35Å
248	Q	78.8	Confident	90.6	Very high	45 Å²	45	38.8 Å²	38.8	21%	0.21	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.3	172.9	-69	-174.3	-15.8	0	0	113.9	I217 V244 L245 Q246 K250	I217-Q248 HydrophobicContact CG2-CG 4.35Å; V244-Q248 WeakPolarHBondContact O-CG 3.24Å; V244-Q248 PolarHBondContact O-N 2.94Å; L245-Q248 CarbonylContact O-C 3.43Å; L245-Q248 PolarHBondContact O-N 3.1Å; Q246-Q248 PolarHBondContact O-N 2.68Å; Q248-K250 VanDerWaalsContact C-N 3.28Å; Q248-K250 HydrophobicContact CB-CD 4.4Å; Q248-K250 HydrophobicContact CB-CG 4.4Å; Q248-K250 PolarHBondContact O-N 2.77Å
249	G	77.6	Confident	90.6	Very high	52 Å²	52	43.5 Å²	43.5	54%	0.536	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	8.7	-176.1	0	0	0	0	0	114.7	L245 Q246 Q247 L251	L245-G249 PolarHBondContact O-N 3.33Å; Q246-G249 WeakPolarHBondContact O-CA 3.35Å; Q246-G249 PolarHBondContact O-N 2.87Å; Q247-G249 PolarHBondContact O-N 3.35Å; G249-L251 PolarHBondContact O-N 2.76Å
250	K	85.2	Confident	90.8	Very high	84 Å²	84	46.2 Å²	46.2	37%	0.365	23%	0.232	S	C	.	.			trans	-85.2	59.9	177.6	-64.5	172.6	-179.2	165.1	0	110.7	L245 Q248 Q252 E253 A254	L245-K250 HydrophobicContact CB-CB 4.28Å; L245-K250 HydrophobicContact CD2-CB 4.3Å; L245-K250 HydrophobicContact CD2-CD 3.7Å; L245-K250 WeakPolarHBondContact O-CA 3.31Å; L245-K250 WeakPolarHBondContact O-CB 3.2Å; L245-K250 PolarHBondContact O-N 3.03Å; Q248-K250 VanDerWaalsContact C-N 3.28Å; Q248-K250 HydrophobicContact CB-CD 4.4Å; Q248-K250 HydrophobicContact CB-CG 4.4Å; Q248-K250 PolarHBondContact O-N 2.77Å; K250-Q252 VanDerWaalsContact C-N 3.3Å; K250-Q252 PolarHBondContact O-N 3.43Å; K250-E253 HydrophobicContact CB-CB 4.32Å; K250-E253 PolarHBondContact O-N 2.71Å; K250-A254 PolarHBondContact O-N 2.99Å
251	L	88.3	Confident	90.9	Very high	37 Å²	37	46.1 Å²	46.1	19%	0.194	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-36.6	-169	-55.5	-178.4	0	0	0	113.4	Q246 G249 A254 L255 T278 E281 M282	Q246-L251 HydrophobicContact CG-CD2 4Å; G249-L251 PolarHBondContact O-N 2.76Å; L251-A254 PolarHBondContact O-N 3.34Å; L251-L255 WeakPolarHBondContact O-CB 3.3Å; L251-L255 PolarHBondContact O-N 2.94Å; L251-T278 HydrophobicContact CB-CG2 4.2Å; L251-T278 HydrophobicContact CD2-CG2 4.3Å; L251-E281 HydrophobicContact CD1-CB 4.15Å; L251-E281 WeakPolarHBondContact CD2-OE2 3.21Å; L251-M282 HydrophobicContact CB-CG 3.82Å; L251-M282 HydrophobicContact CB-SD 3.9Å; L251-M282 HydrophobicContact CD1-CG 3.68Å; L251-M282 HydrophobicContact CG-CG 4.37Å
252	Q	91.2	Very high	90.9	Very high	126 Å²	126	47 Å²	47	59%	0.589	24%	0.237	S	C	*	.	H	α-helix	trans	-67.5	-44.5	178	-67.6	-66.2	-14.7	0	0	112.4	K250 A254 L255 M256	K250-Q252 VanDerWaalsContact C-N 3.3Å; K250-Q252 PolarHBondContact O-N 3.43Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-L255 PolarHBondContact O-N 3.05Å; Q252-M256 WeakPolarHBondContact O-CG 3.3Å; Q252-M256 PolarHBondContact O-N 3.25Å; Q252-M256 VanDerWaalsContact O-N 3.08Å
253	E	93.3	Very high	91	Very high	79 Å²	79	53.5 Å²	53.5	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-42.2	175.8	-65.1	177.7	-125.2	0	0	110.5	L245 K250 L255 M256 H257	L245-E253 HydrophobicContact CD1-CB 3.95Å; K250-E253 HydrophobicContact CB-CB 4.32Å; K250-E253 PolarHBondContact O-N 2.71Å; E253-L255 VanDerWaalsContact C-N 3.35Å; E253-L255 PolarHBondContact O-N 3.32Å; E253-M256 WeakPolarHBondContact O-CB 3.41Å; E253-M256 PolarHBondContact O-N 3.26Å; E253-H257 PolarHBondContact O-CD2 3.22Å; E253-H257 VanDerWaalsContact O-CD2 3.28Å; E253-H257 PolarHBondContact O-N 3.31Å; E253-H257 VanDerWaalsContact O-N 3.1Å
254	A	94.3	Very high	91.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-47.4	174.9	0	0	0	0	0	111.8	A242 L245 Q246 K250 L251 Q252 M256 H257 Y258 T278	A242-A254 HydrophobicContact CB-CB 4.4Å; A242-A254 WeakPolarHBondContact CB-O 3.27Å; A242-A254 VanDerWaalsContact O-CB 3.25Å; A242-A254 WeakPolarHBondContact O-CB 3.46Å; L245-A254 HydrophobicContact CB-CB 4.01Å; Q246-A254 HydrophobicContact CB-CB 4.08Å; K250-A254 PolarHBondContact O-N 2.99Å; L251-A254 PolarHBondContact O-N 3.34Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; A254-M256 VanDerWaalsContact C-N 3.31Å; A254-M256 PolarHBondContact O-N 2.88Å; A254-H257 PolarHBondContact O-N 3.4Å; A254-Y258 HydrophobicContact CB-CE2 4.45Å; A254-Y258 VanDerWaalsContact O-CD2 3.28Å; A254-Y258 WeakPolarHBondContact O-CD2 3.4Å; A254-Y258 PolarHBondContact O-N 3.4Å; A254-T278 HydrophobicContact CB-CG2 4.33Å
255	L	95.7	Very high	91.5	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.068	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-39.4	177.9	-176.2	62.2	0	0	0	112.4	L251 Q252 E253 Y258 K259 M275 L279 M282	L251-L255 WeakPolarHBondContact O-CB 3.3Å; L251-L255 PolarHBondContact O-N 2.94Å; Q252-L255 PolarHBondContact O-N 3.05Å; E253-L255 VanDerWaalsContact C-N 3.35Å; E253-L255 PolarHBondContact O-N 3.32Å; L255-Y258 PolarHBondContact O-N 2.72Å; L255-K259 HydrophobicContact CG-CD 4.43Å; L255-K259 WeakPolarHBondContact O-CG 3.42Å; L255-K259 PolarHBondContact O-N 3.24Å; L255-M275 HydrophobicContact CD1-CG 3.54Å; L255-M275 HydrophobicContact CD1-SD 3.79Å; L255-L279 HydrophobicContact CD1-CD2 3.83Å; L255-L279 HydrophobicContact CD1-CG 4.11Å; L255-L279 HydrophobicContact CD2-CD2 3.99Å; L255-M282 HydrophobicContact CD2-CE 4.33Å; L255-M282 HydrophobicContact CD2-SD 4.33Å
256	M	96.3	Very high	91.8	Very high	138 Å²	138	59.5 Å²	59.5	68%	0.68	30%	0.297	S	S	*	.	H	α-helix	trans	-61.3	-47.3	175.3	-70.7	179.7	66.8	0	0	111.6	Q252 E253 A254 K259 E260	Q252-M256 WeakPolarHBondContact O-CG 3.3Å; Q252-M256 PolarHBondContact O-N 3.25Å; Q252-M256 VanDerWaalsContact O-N 3.08Å; E253-M256 WeakPolarHBondContact O-CB 3.41Å; E253-M256 PolarHBondContact O-N 3.26Å; A254-M256 VanDerWaalsContact C-N 3.31Å; A254-M256 PolarHBondContact O-N 2.88Å; M256-K259 PolarHBondContact O-N 3.05Å; M256-E260 PolarHBondContact O-N 2.87Å; M256-E260 VanDerWaalsContact O-N 3.1Å
257	H	97.2	Very high	92.1	Very high	42 Å²	42	63.2 Å²	63.2	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-36.7	179.3	-77.4	-76.6	0	0	0	112.6	H238 L241 A242 E253 A254 E260 A261	H238-H257 AromaticContact CE1-ND1 3.59Å; H238-H257 AromaticContact ND1-CG 3.91Å; H238-H257 AromaticContact ND1-ND1 3.05Å; H238-H257 PolarHBondContact ND1-ND1 3.25Å; L241-H257 VanDerWaalsContact CD2-CE1 3.47Å; L241-H257 WeakPolarHBondContact CD2-CE1 3.38Å; A242-H257 HydrophobicContact CB-CB 3.71Å; E253-H257 PolarHBondContact O-CD2 3.22Å; E253-H257 VanDerWaalsContact O-CD2 3.28Å; E253-H257 PolarHBondContact O-N 3.31Å; E253-H257 VanDerWaalsContact O-N 3.1Å; A254-H257 PolarHBondContact O-N 3.4Å; H257-E260 PolarHBondContact O-N 2.72Å; H257-A261 PolarHBondContact O-N 2.74Å
258	Y	97.1	Very high	92.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-42.8	173.1	-78	-51.3	0	0	0	112.8	S239 A242 S243 A254 L255 E260 A261 I262 A271 N274 M275 T278	S239-Y258 WeakPolarHBondContact O-CE1 3.47Å; A242-Y258 HydrophobicContact CB-CD1 3.71Å; A242-Y258 HydrophobicContact CB-CD2 3.65Å; A242-Y258 HydrophobicContact CB-CE1 3.55Å; A242-Y258 HydrophobicContact CB-CE2 3.51Å; A242-Y258 HydrophobicContact CB-CG 3.72Å; A242-Y258 VanDerWaalsContact CB-CZ 3.43Å; S243-Y258 WeakPolarHBondContact CA-OH 3.31Å; S243-Y258 WeakPolarHBondContact CB-OH 3.3Å; S243-Y258 PolarHBondContact N-OH 3.11Å; S243-Y258 VanDerWaalsContact N-OH 3.11Å; A254-Y258 HydrophobicContact CB-CE2 4.45Å; A254-Y258 VanDerWaalsContact O-CD2 3.28Å; A254-Y258 WeakPolarHBondContact O-CD2 3.4Å; A254-Y258 PolarHBondContact O-N 3.4Å; L255-Y258 PolarHBondContact O-N 2.72Å; Y258-E260 VanDerWaalsContact C-N 3.25Å; Y258-E260 PolarHBondContact O-N 2.84Å; Y258-A261 PolarHBondContact O-N 3.35Å; Y258-I262 WeakPolarHBondContact O-CG1 3.45Å; Y258-I262 PolarHBondContact O-N 3.34Å; Y258-A271 HydrophobicContact CD1-CB 4.5Å; Y258-N274 HydrophobicContact CD1-CB 4.43Å; Y258-N274 HydrophobicContact CE1-CB 3.57Å; Y258-N274 HydrophobicContact CE2-CB 4.25Å; Y258-N274 VanDerWaalsContact CZ-CB 3.46Å; Y258-N274 WeakPolarHBondContact OH-CB 3.42Å; Y258-M275 HydrophobicContact CD2-CB 4.15Å; Y258-M275 HydrophobicContact CD2-CG 4.48Å; Y258-M275 HydrophobicContact CG-CB 3.97Å; Y258-M275 HydrophobicContact CG-CG 4.43Å; Y258-T278 WeakPolarHBondContact CE2-OG1 3.17Å
259	K	96.3	Very high	93.4	Very high	119 Å²	119	57 Å²	57	52%	0.517	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-40.1	175.1	-76.2	174.4	178.1	177	0	111.5	L255 M256 I262 R263 M275	L255-K259 HydrophobicContact CG-CD 4.43Å; L255-K259 WeakPolarHBondContact O-CG 3.42Å; L255-K259 PolarHBondContact O-N 3.24Å; M256-K259 PolarHBondContact O-N 3.05Å; K259-I262 PolarHBondContact O-N 3.04Å; K259-R263 WeakPolarHBondContact O-CB 3.3Å; K259-R263 PolarHBondContact O-N 2.77Å; K259-M275 HydrophobicContact CG-SD 4Å
260	E	97.1	Very high	94.1	Very high	58 Å²	58	57.7 Å²	57.7	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-69	-42.6	178.2	-165.5	58.3	-163.2	0	0	112.2	H238 M256 H257 Y258 I262 R263 I264	H238-E260 VanDerWaalsContact CE1-CG 3.42Å; H238-E260 WeakPolarHBondContact CE1-CG 3.43Å; M256-E260 PolarHBondContact O-N 2.87Å; M256-E260 VanDerWaalsContact O-N 3.1Å; H257-E260 PolarHBondContact O-N 2.72Å; Y258-E260 VanDerWaalsContact C-N 3.25Å; Y258-E260 PolarHBondContact O-N 2.84Å; E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 3.32Å; E260-R263 VanDerWaalsContact CD-NE 3.27Å; E260-R263 WeakPolarHBondContact O-CB 3.5Å; E260-R263 PolarHBondContact O-N 3.11Å; E260-R263 VanDerWaalsContact O-N 3.16Å; E260-R263 IonicContact OE1-CZ 3.86Å; E260-R263 IonicContact OE1-NE 2.84Å; E260-R263 PolarHBondContact OE1-NE 3.47Å; E260-R263 IonicContact OE1-NH2 3.59Å; E260-R263 PolarHBondContact OE1-NH2 2.83Å; E260-R263 IonicContact OE2-NE 3.19Å; E260-R263 PolarHBondContact OE2-NE 2.89Å; E260-R263 VanDerWaalsContact OE2-NE 3.13Å; E260-I264 HydrophobicContact CG-CD1 4.06Å; E260-I264 WeakPolarHBondContact O-CD1 3.48Å; E260-I264 VanDerWaalsContact O-CG1 3.27Å; E260-I264 WeakPolarHBondContact O-CG1 3.38Å; E260-I264 PolarHBondContact O-N 2.9Å
261	A	95.6	Very high	94.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.4	-41.2	172.8	0	0	0	0	0	112.2	A235 H238 H257 Y258 S265 F268 A271	A235-A261 HydrophobicContact CB-CB 4.46Å; A235-A261 WeakPolarHBondContact O-CB 3.28Å; H238-A261 HydrophobicContact CB-CB 3.84Å; H257-A261 PolarHBondContact O-N 2.74Å; Y258-A261 PolarHBondContact O-N 3.35Å; A261-S265 PolarHBondContact O-N 3.3Å; A261-F268 HydrophobicContact CB-CD1 4.46Å; A261-A271 HydrophobicContact CB-CB 4.27Å
262	I	95.7	Very high	94.8	Very high	20 Å²	20	53.4 Å²	53.4	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-72.5	-36.7	178	-68.9	164.1	0	0	0	111.7	Y258 K259 E260 I264 S265 P266 A271 Y272 M275	Y258-I262 WeakPolarHBondContact O-CG1 3.45Å; Y258-I262 PolarHBondContact O-N 3.34Å; K259-I262 PolarHBondContact O-N 3.04Å; E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 3.32Å; I262-I264 VanDerWaalsContact C-N 3.32Å; I262-S265 CarbonylContact O-C 3.21Å; I262-S265 PolarHBondContact O-N 2.93Å; I262-P266 VanDerWaalsContact O-CA 3.26Å; I262-P266 WeakPolarHBondContact O-CA 3.33Å; I262-P266 VanDerWaalsContact O-N 3.11Å; I262-A271 HydrophobicContact CD1-CB 4.49Å; I262-A271 HydrophobicContact CG1-CB 3.92Å; I262-Y272 HydrophobicContact CD1-CD1 3.81Å; I262-Y272 HydrophobicContact CD1-CD2 4.34Å; I262-Y272 HydrophobicContact CD1-CE1 3.96Å; I262-Y272 HydrophobicContact CD1-CE2 4.45Å; I262-Y272 HydrophobicContact CD1-CG 4.02Å; I262-Y272 HydrophobicContact CG1-CD1 4.48Å; I262-Y272 HydrophobicContact CG1-CD2 4.22Å; I262-Y272 HydrophobicContact CG1-CE1 4.4Å; I262-Y272 HydrophobicContact CG1-CE2 4.11Å; I262-Y272 HydrophobicContact CG1-CG 4.41Å; I262-Y272 HydrophobicContact CG2-CE1 3.86Å; I262-Y272 HydrophobicContact CG2-CE2 3.86Å; I262-Y272 VanDerWaalsContact CG2-OH 3.23Å; I262-Y272 WeakPolarHBondContact CG2-OH 3.44Å; I262-M275 HydrophobicContact CD1-CE 3.61Å; I262-M275 HydrophobicContact CD1-SD 3.75Å
263	R	97.1	Very high	95	Very high	135 Å²	135	47.5 Å²	47.5	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-44.4	174.8	-172.1	-164.8	69.4	72	-0.9	110.7	E233 K259 E260	E233-R263 IonicContact OE1-NH2 3.64Å; K259-R263 WeakPolarHBondContact O-CB 3.3Å; K259-R263 PolarHBondContact O-N 2.77Å; E260-R263 VanDerWaalsContact CD-NE 3.27Å; E260-R263 WeakPolarHBondContact O-CB 3.5Å; E260-R263 PolarHBondContact O-N 3.11Å; E260-R263 VanDerWaalsContact O-N 3.16Å; E260-R263 IonicContact OE1-CZ 3.86Å; E260-R263 IonicContact OE1-NE 2.84Å; E260-R263 PolarHBondContact OE1-NE 3.47Å; E260-R263 IonicContact OE1-NH2 3.59Å; E260-R263 PolarHBondContact OE1-NH2 2.83Å; E260-R263 IonicContact OE2-NE 3.19Å; E260-R263 PolarHBondContact OE2-NE 2.89Å; E260-R263 VanDerWaalsContact OE2-NE 3.13Å
264	I	94.5	Very high	95.1	Very high	44 Å²	44	45.7 Å²	45.7	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-46.6	179	-64.2	159.1	0	0	0	110.6	E233 A235 E260 I262	E233-I264 HydrophobicContact CB-CD1 4.49Å; E233-I264 HydrophobicContact CB-CG1 4.5Å; E233-I264 HydrophobicContact CB-CG2 4.34Å; E233-I264 VanDerWaalsContact O-CG2 3.32Å; E233-I264 WeakPolarHBondContact O-CG2 3.34Å; A235-I264 HydrophobicContact CB-CB 4.11Å; A235-I264 HydrophobicContact CB-CG2 3.88Å; E260-I264 HydrophobicContact CG-CD1 4.06Å; E260-I264 WeakPolarHBondContact O-CD1 3.48Å; E260-I264 VanDerWaalsContact O-CG1 3.27Å; E260-I264 WeakPolarHBondContact O-CG1 3.38Å; E260-I264 PolarHBondContact O-N 2.9Å; I262-I264 VanDerWaalsContact C-N 3.32Å
265	S	93.6	Very high	95.2	Very high	37 Å²	37	46.6 Å²	46.6	26%	0.259	23%	0.234	S	C	.	.			trans	-128.1	87.4	-178.2	-176.7	0	0	0	0	111.4	A261 I262 T267 F268	A261-S265 PolarHBondContact O-N 3.3Å; I262-S265 CarbonylContact O-C 3.21Å; I262-S265 PolarHBondContact O-N 2.93Å; S265-T267 PolarHBondContact O-N 3.46Å; S265-F268 VanDerWaalsContact O-CB 3.25Å; S265-F268 WeakPolarHBondContact O-CB 3.44Å; S265-F268 PolarHBondContact O-N 3.04Å
266	P	94.9	Very high	95.2	Very high	70 Å²	70	46 Å²	46	46%	0.455	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.6	-177	-26	35.6	0	0	0	115.5	I262 Y272	I262-P266 VanDerWaalsContact O-CA 3.26Å; I262-P266 WeakPolarHBondContact O-CA 3.33Å; I262-P266 VanDerWaalsContact O-N 3.11Å; P266-Y272 WeakPolarHBondContact O-CE2 3.12Å; P266-Y272 PolarHBondContact O-OH 2.94Å
267	T	94.4	Very high	95	Very high	102 Å²	102	41.3 Å²	41.3	63%	0.626	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	14.4	176.6	53.2	0	0	0	0	112.6	S265 A269 I298	S265-T267 PolarHBondContact O-N 3.46Å; T267-A269 PolarHBondContact O-N 3.36Å; T267-A269 VanDerWaalsContact O-N 3.09Å; T267-I298 WeakPolarHBondContact O-CG2 3.05Å
268	F	92.7	Very high	94.7	Very high	33 Å²	33	39.3 Å²	39.3	15%	0.145	20%	0.199	C	C	.	.			trans	-82.7	85	179.9	-164.5	179.8	0	0	0	112	A235 A261 S265 D270 A271 Y272	A235-F268 HydrophobicContact CB-CD1 4.23Å; A235-F268 HydrophobicContact CB-CE1 4.43Å; A261-F268 HydrophobicContact CB-CD1 4.46Å; S265-F268 VanDerWaalsContact O-CB 3.25Å; S265-F268 WeakPolarHBondContact O-CB 3.44Å; S265-F268 PolarHBondContact O-N 3.04Å; F268-D270 HydrophobicContact CD2-CB 4.18Å; F268-D270 HydrophobicContact CE2-CB 3.8Å; F268-D270 PolarHBondContact O-N 3.04Å; F268-A271 HydrophobicContact CB-CB 4.11Å; F268-A271 HydrophobicContact CD1-CB 3.67Å; F268-A271 HydrophobicContact CD2-CB 4.39Å; F268-A271 HydrophobicContact CE1-CB 4.19Å; F268-A271 HydrophobicContact CG-CB 3.79Å; F268-A271 PolarHBondContact O-N 3.04Å; F268-A271 VanDerWaalsContact O-N 3.17Å; F268-Y272 WeakPolarHBondContact O-CD2 3.41Å; F268-Y272 PolarHBondContact O-N 3.24Å
269	A	93.1	Very high	94.6	Very high	7 Å²	7	39.9 Å²	39.9	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-42.4	-174.5	0	0	0	0	0	114	T267 A271 Y272 S273 A295 I298 N299 F302	T267-A269 PolarHBondContact O-N 3.36Å; T267-A269 VanDerWaalsContact O-N 3.09Å; A269-A271 VanDerWaalsContact C-N 3.34Å; A269-A271 PolarHBondContact O-N 3.15Å; A269-Y272 PolarHBondContact O-N 2.84Å; A269-S273 PolarHBondContact O-N 3.31Å; A269-A295 WeakPolarHBondContact O-CB 3.13Å; A269-I298 HydrophobicContact CB-CB 4.26Å; A269-I298 HydrophobicContact CB-CG2 3.92Å; A269-N299 HydrophobicContact CB-CB 4Å; A269-F302 HydrophobicContact CB-CD1 4.1Å; A269-F302 HydrophobicContact CB-CE1 4.23Å
270	D	91.7	Very high	94.2	Very high	67 Å²	67	37.7 Å²	37.7	36%	0.358	19%	0.193	S	C	.	.	H	α-helix	trans	-62.1	-38.7	178.9	-59.2	-86.6	0	0	0	112.8	F268 Y272 S273 N274 F302	F268-D270 HydrophobicContact CD2-CB 4.18Å; F268-D270 HydrophobicContact CE2-CB 3.8Å; F268-D270 PolarHBondContact O-N 3.04Å; D270-Y272 VanDerWaalsContact C-N 3.34Å; D270-Y272 PolarHBondContact O-N 3.17Å; D270-S273 PolarHBondContact O-N 2.66Å; D270-N274 WeakPolarHBondContact O-CB 3.5Å; D270-N274 VanDerWaalsContact O-CG 3.29Å; D270-N274 PolarHBondContact O-N 3.41Å; D270-N274 PolarHBondContact O-ND2 3.23Å; D270-F302 WeakPolarHBondContact OD1-CZ 3.16Å
271	A	93.2	Very high	93.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-40	177.1	0	0	0	0	0	111.4	Y258 A261 I262 F268 A269 M275	Y258-A271 HydrophobicContact CD1-CB 4.5Å; A261-A271 HydrophobicContact CB-CB 4.27Å; I262-A271 HydrophobicContact CD1-CB 4.49Å; I262-A271 HydrophobicContact CG1-CB 3.92Å; F268-A271 HydrophobicContact CB-CB 4.11Å; F268-A271 HydrophobicContact CD1-CB 3.67Å; F268-A271 HydrophobicContact CD2-CB 4.39Å; F268-A271 HydrophobicContact CE1-CB 4.19Å; F268-A271 HydrophobicContact CG-CB 3.79Å; F268-A271 PolarHBondContact O-N 3.04Å; F268-A271 VanDerWaalsContact O-N 3.17Å; A269-A271 VanDerWaalsContact C-N 3.34Å; A269-A271 PolarHBondContact O-N 3.15Å; A271-M275 WeakPolarHBondContact O-CB 3.44Å; A271-M275 PolarHBondContact O-N 3.41Å
272	Y	96.9	Very high	93.2	Very high	32 Å²	32	42.8 Å²	42.8	13%	0.125	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-47.5	171.7	-76.6	-81.6	0	0	0	111.7	I262 P266 F268 A269 D270 N274 M275 G276 C291 R294 I298	I262-Y272 HydrophobicContact CD1-CD1 3.81Å; I262-Y272 HydrophobicContact CD1-CD2 4.34Å; I262-Y272 HydrophobicContact CD1-CE1 3.96Å; I262-Y272 HydrophobicContact CD1-CE2 4.45Å; I262-Y272 HydrophobicContact CD1-CG 4.02Å; I262-Y272 HydrophobicContact CG1-CD1 4.48Å; I262-Y272 HydrophobicContact CG1-CD2 4.22Å; I262-Y272 HydrophobicContact CG1-CE1 4.4Å; I262-Y272 HydrophobicContact CG1-CE2 4.11Å; I262-Y272 HydrophobicContact CG1-CG 4.41Å; I262-Y272 HydrophobicContact CG2-CE1 3.86Å; I262-Y272 HydrophobicContact CG2-CE2 3.86Å; I262-Y272 VanDerWaalsContact CG2-OH 3.23Å; I262-Y272 WeakPolarHBondContact CG2-OH 3.44Å; P266-Y272 WeakPolarHBondContact O-CE2 3.12Å; P266-Y272 PolarHBondContact O-OH 2.94Å; F268-Y272 WeakPolarHBondContact O-CD2 3.41Å; F268-Y272 PolarHBondContact O-N 3.24Å; A269-Y272 PolarHBondContact O-N 2.84Å; D270-Y272 VanDerWaalsContact C-N 3.34Å; D270-Y272 PolarHBondContact O-N 3.17Å; Y272-N274 PolarHBondContact O-N 3.05Å; Y272-M275 PolarHBondContact O-N 3.46Å; Y272-G276 PolarHBondContact O-N 2.87Å; Y272-C291 WeakPolarHBondContact O-CB 2.97Å; Y272-R294 HydrophobicContact CD1-CB 3.98Å; Y272-R294 HydrophobicContact CD1-CG 3.81Å; Y272-R294 HydrophobicContact CD2-CG 4.25Å; Y272-R294 HydrophobicContact CE1-CB 4.13Å; Y272-R294 HydrophobicContact CE1-CG 3.54Å; Y272-R294 HydrophobicContact CE2-CG 4.03Å; Y272-R294 HydrophobicContact CG-CB 4.36Å; Y272-R294 HydrophobicContact CG-CG 4.15Å; Y272-I298 HydrophobicContact CD2-CD1 3.67Å; Y272-I298 HydrophobicContact CE2-CD1 3.51Å
273	S	95	Very high	92.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-46.5	-180	-169.4	0	0	0	0	111.9	A269 D270 G276 N277 Y292	A269-S273 PolarHBondContact O-N 3.31Å; D270-S273 PolarHBondContact O-N 2.66Å; S273-G276 WeakPolarHBondContact O-CA 3.43Å; S273-G276 PolarHBondContact O-N 3.42Å; S273-G276 VanDerWaalsContact O-N 3.14Å; S273-N277 PolarHBondContact O-N 3.15Å; S273-Y292 VanDerWaalsContact O-CE1 3.25Å; S273-Y292 WeakPolarHBondContact O-CE1 3.22Å
274	N	94.2	Very high	92.4	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-36.3	179.6	-66.4	-25.3	0	0	0	112.8	Y258 D270 Y272 G276 N277 T278	Y258-N274 HydrophobicContact CD1-CB 4.43Å; Y258-N274 HydrophobicContact CE1-CB 3.57Å; Y258-N274 HydrophobicContact CE2-CB 4.25Å; Y258-N274 VanDerWaalsContact CZ-CB 3.46Å; Y258-N274 WeakPolarHBondContact OH-CB 3.42Å; D270-N274 WeakPolarHBondContact O-CB 3.5Å; D270-N274 VanDerWaalsContact O-CG 3.29Å; D270-N274 PolarHBondContact O-N 3.41Å; D270-N274 PolarHBondContact O-ND2 3.23Å; Y272-N274 PolarHBondContact O-N 3.05Å; N274-G276 VanDerWaalsContact C-N 3.28Å; N274-G276 PolarHBondContact O-N 2.79Å; N274-N277 WeakPolarHBondContact O-CB 3.45Å; N274-N277 PolarHBondContact O-N 2.97Å; N274-T278 PolarHBondContact O-N 3.36Å; N274-T278 PolarHBondContact O-OG1 3.46Å
275	M	96.3	Very high	92.2	Very high	20 Å²	20	47.5 Å²	47.5	10%	0.099	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-40.3	169.7	-169.6	170.1	75.9	0	0	111.2	L255 Y258 K259 I262 A271 Y272 N277 T278 L279 C291	L255-M275 HydrophobicContact CD1-CG 3.54Å; L255-M275 HydrophobicContact CD1-SD 3.79Å; Y258-M275 HydrophobicContact CD2-CB 4.15Å; Y258-M275 HydrophobicContact CD2-CG 4.48Å; Y258-M275 HydrophobicContact CG-CB 3.97Å; Y258-M275 HydrophobicContact CG-CG 4.43Å; K259-M275 HydrophobicContact CG-SD 4Å; I262-M275 HydrophobicContact CD1-CE 3.61Å; I262-M275 HydrophobicContact CD1-SD 3.75Å; A271-M275 WeakPolarHBondContact O-CB 3.44Å; A271-M275 PolarHBondContact O-N 3.41Å; Y272-M275 PolarHBondContact O-N 3.46Å; M275-N277 VanDerWaalsContact C-N 3.34Å; M275-N277 PolarHBondContact O-N 2.92Å; M275-T278 WeakPolarHBondContact O-CB 3.48Å; M275-T278 PolarHBondContact O-N 2.96Å; M275-L279 HydrophobicContact CG-CD1 4.15Å; M275-L279 HydrophobicContact CG-CG 4.47Å; M275-L279 WeakPolarHBondContact O-CG 3.47Å; M275-L279 PolarHBondContact O-N 2.92Å; M275-C291 WeakPolarHBondContact CE-SG 3.48Å
276	G	95.4	Very high	92.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-42.3	174.6	0	0	0	0	0	112.7	Y272 S273 N274 T278 L279 K280 A288 Y292	Y272-G276 PolarHBondContact O-N 2.87Å; S273-G276 WeakPolarHBondContact O-CA 3.43Å; S273-G276 PolarHBondContact O-N 3.42Å; S273-G276 VanDerWaalsContact O-N 3.14Å; N274-G276 VanDerWaalsContact C-N 3.28Å; N274-G276 PolarHBondContact O-N 2.79Å; G276-T278 PolarHBondContact O-N 3.24Å; G276-L279 PolarHBondContact O-N 3.07Å; G276-K280 WeakPolarHBondContact O-CB 3.44Å; G276-K280 PolarHBondContact O-N 3.17Å; G276-A288 VanDerWaalsContact O-CB 3.24Å; G276-A288 WeakPolarHBondContact O-CB 3.36Å; G276-Y292 VanDerWaalsContact C-OH 3.28Å; G276-Y292 PolarHBondContact O-OH 3.17Å
277	N	92.1	Very high	92.1	Very high	39 Å²	39	48.9 Å²	48.9	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-44.4	174.5	-64.5	-22	0	0	0	111.7	S273 N274 M275 K280 E281 Y292 N308	S273-N277 PolarHBondContact O-N 3.15Å; N274-N277 WeakPolarHBondContact O-CB 3.45Å; N274-N277 PolarHBondContact O-N 2.97Å; M275-N277 VanDerWaalsContact C-N 3.34Å; M275-N277 PolarHBondContact O-N 2.92Å; N277-K280 WeakPolarHBondContact O-CB 3.37Å; N277-K280 PolarHBondContact O-N 2.99Å; N277-E281 PolarHBondContact O-N 2.64Å; N277-Y292 WeakPolarHBondContact CA-OH 3.4Å; N277-Y292 PolarHBondContact N-OH 2.78Å; N277-Y292 WeakPolarHBondContact OD1-CE1 3.46Å; N277-Y292 PolarHBondContact OD1-OH 3.47Å; N277-N308 PolarHBondContact OD1-ND2 3.4Å
278	T	92.6	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-44.6	177.4	-57.2	0	0	0	0	111.3	Q246 L251 A254 Y258 N274 M275 G276 K280 E281 M282	Q246-T278 VanDerWaalsContact CD-OG1 3.31Å; Q246-T278 PolarHBondContact OE1-OG1 3.26Å; L251-T278 HydrophobicContact CB-CG2 4.2Å; L251-T278 HydrophobicContact CD2-CG2 4.3Å; A254-T278 HydrophobicContact CB-CG2 4.33Å; Y258-T278 WeakPolarHBondContact CE2-OG1 3.17Å; N274-T278 PolarHBondContact O-N 3.36Å; N274-T278 PolarHBondContact O-OG1 3.46Å; M275-T278 WeakPolarHBondContact O-CB 3.48Å; M275-T278 PolarHBondContact O-N 2.96Å; G276-T278 PolarHBondContact O-N 3.24Å; T278-K280 VanDerWaalsContact C-N 3.33Å; T278-K280 PolarHBondContact O-N 3.19Å; T278-E281 PolarHBondContact O-N 3.41Å; T278-M282 HydrophobicContact CG2-SD 4.18Å; T278-M282 VanDerWaalsContact O-CG 3.31Å; T278-M282 WeakPolarHBondContact O-CG 3.49Å; T278-M282 PolarHBondContact O-N 2.88Å
279	L	93.1	Very high	92.2	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-38.5	177	-70.8	170	0	0	0	111.9	L255 M275 G276 M282 Q283 D284 A288	L255-L279 HydrophobicContact CD1-CD2 3.83Å; L255-L279 HydrophobicContact CD1-CG 4.11Å; L255-L279 HydrophobicContact CD2-CD2 3.99Å; M275-L279 HydrophobicContact CG-CD1 4.15Å; M275-L279 HydrophobicContact CG-CG 4.47Å; M275-L279 WeakPolarHBondContact O-CG 3.47Å; M275-L279 PolarHBondContact O-N 2.92Å; G276-L279 PolarHBondContact O-N 3.07Å; L279-M282 CarbonylContact O-C 3.34Å; L279-M282 WeakPolarHBondContact O-CA 3.39Å; L279-M282 PolarHBondContact O-N 3.35Å; L279-Q283 PolarHBondContact O-N 3.06Å; L279-Q283 VanDerWaalsContact O-N 3.13Å; L279-D284 HydrophobicContact CB-CB 4.28Å; L279-D284 HydrophobicContact CD2-CB 4.18Å; L279-D284 PolarHBondContact O-N 3.09Å; L279-A288 HydrophobicContact CB-CB 4.04Å
280	K	89.3	Confident	92.3	Very high	72 Å²	72	50.7 Å²	50.7	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-43.9	173.9	-174.2	-174.2	177.1	-173	0	111.6	G276 N277 T278 M282 Q283 A288 S311 I312 D315	G276-K280 WeakPolarHBondContact O-CB 3.44Å; G276-K280 PolarHBondContact O-N 3.17Å; N277-K280 WeakPolarHBondContact O-CB 3.37Å; N277-K280 PolarHBondContact O-N 2.99Å; T278-K280 VanDerWaalsContact C-N 3.33Å; T278-K280 PolarHBondContact O-N 3.19Å; K280-M282 VanDerWaalsContact C-N 3.27Å; K280-M282 PolarHBondContact O-N 2.75Å; K280-Q283 WeakPolarHBondContact O-CA 3.37Å; K280-Q283 PolarHBondContact O-N 3.02Å; K280-A288 HydrophobicContact CB-CB 4.11Å; K280-S311 PolarHBondContact NZ-OG 3.19Å; K280-I312 HydrophobicContact CD-CG1 4.48Å; K280-D315 IonicContact NZ-OD2 2.68Å
281	E	85.5	Confident	92.5	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-34.4	174.6	-73.9	177.3	-146.1	0	0	112.4	Q246 L251 N277 T278 Q283	Q246-E281 PolarHBondContact NE2-OE1 3.03Å; L251-E281 HydrophobicContact CD1-CB 4.15Å; L251-E281 WeakPolarHBondContact CD2-OE2 3.21Å; N277-E281 PolarHBondContact O-N 2.64Å; T278-E281 PolarHBondContact O-N 3.41Å; E281-Q283 PolarHBondContact O-N 3.12Å
282	M	85.8	Confident	92.7	Very high	57 Å²	57	47.9 Å²	47.9	28%	0.281	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.1	172.4	-65.1	175.2	57.5	0	0	113.9	L251 L255 T278 L279 K280 D284	L251-M282 HydrophobicContact CB-CG 3.82Å; L251-M282 HydrophobicContact CB-SD 3.9Å; L251-M282 HydrophobicContact CD1-CG 3.68Å; L251-M282 HydrophobicContact CG-CG 4.37Å; L255-M282 HydrophobicContact CD2-CE 4.33Å; L255-M282 HydrophobicContact CD2-SD 4.33Å; T278-M282 HydrophobicContact CG2-SD 4.18Å; T278-M282 VanDerWaalsContact O-CG 3.31Å; T278-M282 WeakPolarHBondContact O-CG 3.49Å; T278-M282 PolarHBondContact O-N 2.88Å; L279-M282 CarbonylContact O-C 3.34Å; L279-M282 WeakPolarHBondContact O-CA 3.39Å; L279-M282 PolarHBondContact O-N 3.35Å; K280-M282 VanDerWaalsContact C-N 3.27Å; K280-M282 PolarHBondContact O-N 2.75Å; M282-D284 PolarHBondContact O-N 2.93Å
283	Q	85.3	Confident	92.7	Very high	167 Å²	167	49 Å²	49	78%	0.78	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	13.7	-175.6	-51.6	-177.1	-6.2	0	0	115.1	L279 K280 E281 V285	L279-Q283 PolarHBondContact O-N 3.06Å; L279-Q283 VanDerWaalsContact O-N 3.13Å; K280-Q283 WeakPolarHBondContact O-CA 3.37Å; K280-Q283 PolarHBondContact O-N 3.02Å; E281-Q283 PolarHBondContact O-N 3.12Å; Q283-V285 VanDerWaalsContact C-N 3.33Å; Q283-V285 PolarHBondContact O-N 2.87Å; Q283-V285 VanDerWaalsContact O-N 3.08Å
284	D	90	Very high	92.7	Very high	72 Å²	72	53.8 Å²	53.8	39%	0.385	26%	0.264	S	S	.	.			trans	-82.9	78.2	169.2	-177.1	6.3	0	0	0	110.5	L279 M282 Q286 G287 A288	L279-D284 HydrophobicContact CB-CB 4.28Å; L279-D284 HydrophobicContact CD2-CB 4.18Å; L279-D284 PolarHBondContact O-N 3.09Å; M282-D284 PolarHBondContact O-N 2.93Å; D284-Q286 VanDerWaalsContact C-N 3.31Å; D284-Q286 PolarHBondContact O-N 2.93Å; D284-Q286 PolarHBondContact OD1-N 2.9Å; D284-G287 PolarHBondContact O-N 2.9Å; D284-G287 PolarHBondContact OD1-N 3.46Å; D284-A288 WeakPolarHBondContact O-CB 3.47Å; D284-A288 PolarHBondContact O-N 3.11Å
285	V	90.6	Very high	92.9	Very high	59 Å²	59	51.9 Å²	51.9	36%	0.358	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-36.5	-177.8	-179.7	0	0	0	0	111.9	Q283 A288 L289 I312	Q283-V285 VanDerWaalsContact C-N 3.33Å; Q283-V285 PolarHBondContact O-N 2.87Å; Q283-V285 VanDerWaalsContact O-N 3.08Å; V285-A288 PolarHBondContact O-N 3.44Å; V285-L289 WeakPolarHBondContact O-CB 3.29Å; V285-L289 PolarHBondContact O-N 3.01Å; V285-I312 HydrophobicContact CG1-CG2 3.75Å
286	Q	92.4	Very high	92.9	Very high	126 Å²	126	52.2 Å²	52.2	59%	0.589	26%	0.256	S	S	*	.	H	α-helix	trans	-70.5	-44.6	-179	-69.6	-61.3	-34.8	0	0	111.2	D284 A288 L289 Q290	D284-Q286 VanDerWaalsContact C-N 3.31Å; D284-Q286 PolarHBondContact O-N 2.93Å; D284-Q286 PolarHBondContact OD1-N 2.9Å; Q286-A288 VanDerWaalsContact C-N 3.33Å; Q286-A288 PolarHBondContact O-N 3.21Å; Q286-L289 PolarHBondContact O-N 3.39Å; Q286-Q290 WeakPolarHBondContact O-CG 3.31Å; Q286-Q290 PolarHBondContact O-N 2.98Å; Q286-Q290 VanDerWaalsContact O-N 3.13Å
287	G	94.3	Very high	93	Very high	11 Å²	11	58 Å²	58	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-44.1	173.2	0	0	0	0	0	111.8	D284 L289 Q290 C291	D284-G287 PolarHBondContact O-N 2.9Å; D284-G287 PolarHBondContact OD1-N 3.46Å; G287-L289 PolarHBondContact O-N 3.45Å; G287-Q290 PolarHBondContact O-N 3.06Å; G287-C291 PolarHBondContact O-N 3.34Å; G287-C291 VanDerWaalsContact O-N 3.07Å; G287-C291 PolarHBondContact O-SG 3.12Å
288	A	95.3	Very high	93.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-42.9	177.5	0	0	0	0	0	112.9	G276 L279 K280 D284 V285 Q286 Q290 C291 Y292 I312	G276-A288 VanDerWaalsContact O-CB 3.24Å; G276-A288 WeakPolarHBondContact O-CB 3.36Å; L279-A288 HydrophobicContact CB-CB 4.04Å; K280-A288 HydrophobicContact CB-CB 4.11Å; D284-A288 WeakPolarHBondContact O-CB 3.47Å; D284-A288 PolarHBondContact O-N 3.11Å; V285-A288 PolarHBondContact O-N 3.44Å; Q286-A288 VanDerWaalsContact C-N 3.33Å; Q286-A288 PolarHBondContact O-N 3.21Å; A288-Q290 PolarHBondContact O-N 3.07Å; A288-C291 WeakPolarHBondContact O-CB 3.26Å; A288-C291 PolarHBondContact O-N 2.84Å; A288-Y292 HydrophobicContact CB-CE2 4.19Å; A288-Y292 WeakPolarHBondContact O-CD2 3.45Å; A288-Y292 PolarHBondContact O-N 2.61Å; A288-I312 HydrophobicContact CB-CD1 3.5Å
289	L	94	Very high	93.2	Very high	46 Å²	46	61.6 Å²	61.6	24%	0.241	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-49.5	176.2	-171.8	78.1	0	0	0	111.5	V285 Q286 G287 C291 Y292 T293 L309 I312	V285-L289 WeakPolarHBondContact O-CB 3.29Å; V285-L289 PolarHBondContact O-N 3.01Å; Q286-L289 PolarHBondContact O-N 3.39Å; G287-L289 PolarHBondContact O-N 3.45Å; L289-C291 VanDerWaalsContact C-N 3.28Å; L289-C291 PolarHBondContact O-N 2.76Å; L289-Y292 PolarHBondContact O-N 3.02Å; L289-T293 WeakPolarHBondContact O-CB 3.41Å; L289-T293 PolarHBondContact O-N 2.81Å; L289-T293 PolarHBondContact O-OG1 2.83Å; L289-T293 VanDerWaalsContact O-OG1 3.06Å; L289-L309 HydrophobicContact CD1-CD1 3.36Å; L289-L309 HydrophobicContact CG-CD1 4.4Å; L289-I312 HydrophobicContact CD1-CG2 3.93Å
290	Q	95.3	Very high	93.4	Very high	133 Å²	133	65.1 Å²	65.1	62%	0.621	33%	0.326	S	S	*	.	H	α-helix	trans	-59.3	-41.3	178.6	-69	173.9	13.1	0	0	111.6	Q286 G287 A288 R294	Q286-Q290 WeakPolarHBondContact O-CG 3.31Å; Q286-Q290 PolarHBondContact O-N 2.98Å; Q286-Q290 VanDerWaalsContact O-N 3.13Å; G287-Q290 PolarHBondContact O-N 3.06Å; A288-Q290 PolarHBondContact O-N 3.07Å; Q290-R294 WeakPolarHBondContact O-CB 3.44Å; Q290-R294 PolarHBondContact O-N 2.76Å
291	C	96.8	Very high	93.7	Very high	7 Å²	7	64.6 Å²	64.6	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-49.6	178.4	-68.6	0	0	0	0	112.3	Y272 M275 G287 A288 L289 R294 A295	Y272-C291 WeakPolarHBondContact O-CB 2.97Å; M275-C291 WeakPolarHBondContact CE-SG 3.48Å; G287-C291 PolarHBondContact O-N 3.34Å; G287-C291 VanDerWaalsContact O-N 3.07Å; G287-C291 PolarHBondContact O-SG 3.12Å; A288-C291 WeakPolarHBondContact O-CB 3.26Å; A288-C291 PolarHBondContact O-N 2.84Å; L289-C291 VanDerWaalsContact C-N 3.28Å; L289-C291 PolarHBondContact O-N 2.76Å; C291-R294 PolarHBondContact O-N 2.88Å; C291-A295 PolarHBondContact O-N 3.12Å
292	Y	96.7	Very high	94.1	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-41.8	178.9	-59.1	-45.2	0	0	0	112.2	S273 G276 N277 A288 L289 R294 A295 I296 N308 I312	S273-Y292 VanDerWaalsContact O-CE1 3.25Å; S273-Y292 WeakPolarHBondContact O-CE1 3.22Å; G276-Y292 VanDerWaalsContact C-OH 3.28Å; G276-Y292 PolarHBondContact O-OH 3.17Å; N277-Y292 WeakPolarHBondContact CA-OH 3.4Å; N277-Y292 PolarHBondContact N-OH 2.78Å; N277-Y292 WeakPolarHBondContact OD1-CE1 3.46Å; N277-Y292 PolarHBondContact OD1-OH 3.47Å; A288-Y292 HydrophobicContact CB-CE2 4.19Å; A288-Y292 WeakPolarHBondContact O-CD2 3.45Å; A288-Y292 PolarHBondContact O-N 2.61Å; L289-Y292 PolarHBondContact O-N 3.02Å; Y292-R294 VanDerWaalsContact C-N 3.28Å; Y292-R294 PolarHBondContact O-N 3.18Å; Y292-A295 PolarHBondContact O-N 3.39Å; Y292-I296 WeakPolarHBondContact O-CG1 3.28Å; Y292-I296 PolarHBondContact O-N 2.7Å; Y292-N308 HydrophobicContact CD1-CB 3.86Å; Y292-N308 HydrophobicContact CD2-CB 4.19Å; Y292-N308 HydrophobicContact CE1-CB 3.49Å; Y292-N308 VanDerWaalsContact CE1-CB 3.49Å; Y292-N308 HydrophobicContact CE2-CB 3.83Å; Y292-N308 HydrophobicContact CG-CB 4.21Å; Y292-N308 VanDerWaalsContact CZ-CB 3.5Å; Y292-I312 HydrophobicContact CD2-CD1 3.74Å; Y292-I312 HydrophobicContact CD2-CG1 4.43Å; Y292-I312 HydrophobicContact CE2-CD1 3.41Å; Y292-I312 VanDerWaalsContact CE2-CD1 3.41Å; Y292-I312 HydrophobicContact CE2-CG1 4Å
293	T	95.9	Very high	94.6	Very high	55 Å²	55	58.1 Å²	58.1	34%	0.337	31%	0.305	S	S	.	.	H	α-helix	trans	-58.7	-42.7	174.4	-60	0	0	0	0	111	L289 I296 Q297	L289-T293 WeakPolarHBondContact O-CB 3.41Å; L289-T293 PolarHBondContact O-N 2.81Å; L289-T293 PolarHBondContact O-OG1 2.83Å; L289-T293 VanDerWaalsContact O-OG1 3.06Å; T293-I296 PolarHBondContact O-N 2.84Å; T293-Q297 WeakPolarHBondContact O-CG 3.46Å; T293-Q297 PolarHBondContact O-N 2.82Å
294	R	96.8	Very high	95	Very high	103 Å²	103	52.8 Å²	52.8	39%	0.389	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-41.1	177.9	-173.1	55.6	177.3	173.5	3.6	112.3	Y272 Q290 C291 Y292 I296 Q297 I298	Y272-R294 HydrophobicContact CD1-CB 3.98Å; Y272-R294 HydrophobicContact CD1-CG 3.81Å; Y272-R294 HydrophobicContact CD2-CG 4.25Å; Y272-R294 HydrophobicContact CE1-CB 4.13Å; Y272-R294 HydrophobicContact CE1-CG 3.54Å; Y272-R294 HydrophobicContact CE2-CG 4.03Å; Y272-R294 HydrophobicContact CG-CB 4.36Å; Y272-R294 HydrophobicContact CG-CG 4.15Å; Q290-R294 WeakPolarHBondContact O-CB 3.44Å; Q290-R294 PolarHBondContact O-N 2.76Å; C291-R294 PolarHBondContact O-N 2.88Å; Y292-R294 VanDerWaalsContact C-N 3.28Å; Y292-R294 PolarHBondContact O-N 3.18Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 3.43Å; R294-Q297 VanDerWaalsContact NH1-OE1 3.09Å; R294-Q297 PolarHBondContact O-N 3.35Å; R294-I298 HydrophobicContact CG-CD1 3.96Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.46Å; R294-I298 PolarHBondContact O-N 3.44Å
295	A	96.9	Very high	95.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-42.6	174.3	0	0	0	0	0	111.7	A269 C291 Y292 I298 N299 F302 A305	A269-A295 WeakPolarHBondContact O-CB 3.13Å; C291-A295 PolarHBondContact O-N 3.12Å; Y292-A295 PolarHBondContact O-N 3.39Å; A295-I298 PolarHBondContact O-N 2.88Å; A295-N299 PolarHBondContact O-N 2.85Å; A295-F302 HydrophobicContact CB-CD1 4.25Å; A295-F302 HydrophobicContact CB-CE1 4.49Å; A295-A305 HydrophobicContact CB-CB 4.08Å
296	I	96.7	Very high	95.6	Very high	28 Å²	28	47.5 Å²	47.5	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-37.6	177	-66.5	162.5	0	0	0	112	Y292 T293 R294 I298 N299 P300 A305 L309	Y292-I296 WeakPolarHBondContact O-CG1 3.28Å; Y292-I296 PolarHBondContact O-N 2.7Å; T293-I296 PolarHBondContact O-N 2.84Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 3.43Å; I296-I298 VanDerWaalsContact C-N 3.29Å; I296-I298 PolarHBondContact O-N 3.48Å; I296-N299 CarbonylContact O-C 3.54Å; I296-N299 PolarHBondContact O-N 3.28Å; I296-P300 WeakPolarHBondContact O-CA 3.3Å; I296-P300 WeakPolarHBondContact O-CD 3.19Å; I296-A305 HydrophobicContact CD1-CB 4.41Å; I296-A305 HydrophobicContact CG1-CB 3.84Å; I296-L309 HydrophobicContact CD1-CB 4.28Å; I296-L309 HydrophobicContact CD1-CD2 3.58Å
297	Q	96.9	Very high	95.8	Very high	122 Å²	122	41.9 Å²	41.9	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-62.6	-38.3	175	-75.7	174	-3.2	0	0	112.2	T293 R294	T293-Q297 WeakPolarHBondContact O-CG 3.46Å; T293-Q297 PolarHBondContact O-N 2.82Å; R294-Q297 VanDerWaalsContact NH1-OE1 3.09Å; R294-Q297 PolarHBondContact O-N 3.35Å
298	I	95.4	Very high	95.8	Very high	48 Å²	48	43.3 Å²	43.3	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-73.7	-46.2	178	-67	164.4	0	0	0	110.3	T267 A269 Y272 R294 A295 I296	T267-I298 WeakPolarHBondContact O-CG2 3.05Å; A269-I298 HydrophobicContact CB-CB 4.26Å; A269-I298 HydrophobicContact CB-CG2 3.92Å; Y272-I298 HydrophobicContact CD2-CD1 3.67Å; Y272-I298 HydrophobicContact CE2-CD1 3.51Å; R294-I298 HydrophobicContact CG-CD1 3.96Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.46Å; R294-I298 PolarHBondContact O-N 3.44Å; A295-I298 PolarHBondContact O-N 2.88Å; I296-I298 VanDerWaalsContact C-N 3.29Å; I296-I298 PolarHBondContact O-N 3.48Å
299	N	95.3	Very high	95.8	Very high	66 Å²	66	44.1 Å²	44.1	35%	0.353	23%	0.234	S	C	.	.			trans	-129.5	93.1	178.1	-178.7	5	0	0	0	110.9	A269 A295 I296 A301 F302	A269-N299 HydrophobicContact CB-CB 4Å; A295-N299 PolarHBondContact O-N 2.85Å; I296-N299 CarbonylContact O-C 3.54Å; I296-N299 PolarHBondContact O-N 3.28Å; N299-A301 PolarHBondContact O-N 3.15Å; N299-A301 VanDerWaalsContact O-N 3.14Å; N299-A301 PolarHBondContact OD1-N 2.91Å; N299-A301 VanDerWaalsContact OD1-N 3.13Å; N299-F302 HydrophobicContact CB-CB 4.16Å; N299-F302 VanDerWaalsContact O-CB 3.25Å; N299-F302 WeakPolarHBondContact O-CB 3.43Å; N299-F302 PolarHBondContact O-N 3.31Å; N299-F302 VanDerWaalsContact O-N 3.11Å
300	P	95.8	Very high	95.9	Very high	87 Å²	87	42 Å²	42	57%	0.565	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.2	179.7	-27.5	36.3	0	0	0	114.7	I296 F302 H306	I296-P300 WeakPolarHBondContact O-CA 3.3Å; I296-P300 WeakPolarHBondContact O-CD 3.19Å; P300-F302 VanDerWaalsContact C-N 3.3Å; P300-H306 PolarHBondContact O-NE2 3.4Å
301	A	95.1	Very high	95.8	Very high	60 Å²	60	36.4 Å²	36.4	50%	0.496	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	10.1	179.2	0	0	0	0	0	113.5	N299 A303 L332	N299-A301 PolarHBondContact O-N 3.15Å; N299-A301 VanDerWaalsContact O-N 3.14Å; N299-A301 PolarHBondContact OD1-N 2.91Å; N299-A301 VanDerWaalsContact OD1-N 3.13Å; A301-A303 PolarHBondContact O-N 3.42Å; A301-A303 VanDerWaalsContact O-N 3.07Å; A301-L332 HydrophobicContact CB-CD2 4.14Å
302	F	95.1	Very high	95.6	Very high	23 Å²	23	36.3 Å²	36.3	10%	0.101	20%	0.198	C	C	.	.			trans	-80.3	88.7	-177.1	-163.3	177.6	0	0	0	112.8	A269 D270 A295 N299 P300 D304 A305 H306	A269-F302 HydrophobicContact CB-CD1 4.1Å; A269-F302 HydrophobicContact CB-CE1 4.23Å; D270-F302 WeakPolarHBondContact OD1-CZ 3.16Å; A295-F302 HydrophobicContact CB-CD1 4.25Å; A295-F302 HydrophobicContact CB-CE1 4.49Å; N299-F302 HydrophobicContact CB-CB 4.16Å; N299-F302 VanDerWaalsContact O-CB 3.25Å; N299-F302 WeakPolarHBondContact O-CB 3.43Å; N299-F302 PolarHBondContact O-N 3.31Å; N299-F302 VanDerWaalsContact O-N 3.11Å; P300-F302 VanDerWaalsContact C-N 3.3Å; F302-D304 HydrophobicContact CD2-CB 4.23Å; F302-D304 HydrophobicContact CE2-CB 3.84Å; F302-D304 PolarHBondContact O-N 3.32Å; F302-A305 HydrophobicContact CB-CB 4.08Å; F302-A305 HydrophobicContact CD1-CB 3.63Å; F302-A305 HydrophobicContact CD2-CB 4.38Å; F302-A305 HydrophobicContact CE1-CB 4.17Å; F302-A305 HydrophobicContact CG-CB 3.75Å; F302-A305 PolarHBondContact O-N 3.48Å; F302-H306 PolarHBondContact O-CD2 3.42Å; F302-H306 VanDerWaalsContact O-CD2 3.24Å; F302-H306 PolarHBondContact O-N 3.38Å
303	A	96	Very high	95.5	Very high	7 Å²	7	37.9 Å²	37.9	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-55.7	-43.6	-175.9	0	0	0	0	0	114	A301 A305 H306 S307 A329 L332 K333 F336	A301-A303 PolarHBondContact O-N 3.42Å; A301-A303 VanDerWaalsContact O-N 3.07Å; A303-A305 PolarHBondContact O-N 3.15Å; A303-H306 PolarHBondContact O-N 3.13Å; A303-S307 PolarHBondContact O-N 3.37Å; A303-A329 WeakPolarHBondContact O-CB 3.29Å; A303-L332 HydrophobicContact CB-CB 3.95Å; A303-K333 HydrophobicContact CB-CB 3.73Å; A303-K333 HydrophobicContact CB-CD 4.4Å; A303-F336 HydrophobicContact CB-CE1 4.43Å
304	D	94.3	Very high	95.3	Very high	55 Å²	55	36.8 Å²	36.8	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-65.2	-38.5	-179.4	-58.1	-82.5	0	0	0	112.2	F302 H306 S307 N308 K333 F336	F302-D304 HydrophobicContact CD2-CB 4.23Å; F302-D304 HydrophobicContact CE2-CB 3.84Å; F302-D304 PolarHBondContact O-N 3.32Å; D304-H306 PolarHBondContact O-N 3.03Å; D304-S307 PolarHBondContact O-N 3.1Å; D304-N308 WeakPolarHBondContact O-CB 3.4Å; D304-N308 PolarHBondContact O-N 2.75Å; D304-N308 PolarHBondContact O-ND2 3.16Å; D304-K333 IonicContact OD1-NZ 3.97Å; D304-F336 VanDerWaalsContact OD1-CZ 3.25Å; D304-F336 WeakPolarHBondContact OD1-CZ 3.45Å
305	A	94.8	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-38.7	174.9	0	0	0	0	0	112.2	A295 I296 F302 A303 N308 L309	A295-A305 HydrophobicContact CB-CB 4.08Å; I296-A305 HydrophobicContact CD1-CB 4.41Å; I296-A305 HydrophobicContact CG1-CB 3.84Å; F302-A305 HydrophobicContact CB-CB 4.08Å; F302-A305 HydrophobicContact CD1-CB 3.63Å; F302-A305 HydrophobicContact CD2-CB 4.38Å; F302-A305 HydrophobicContact CE1-CB 4.17Å; F302-A305 HydrophobicContact CG-CB 3.75Å; F302-A305 PolarHBondContact O-N 3.48Å; A303-A305 PolarHBondContact O-N 3.15Å; A305-N308 PolarHBondContact O-N 3.03Å; A305-L309 VanDerWaalsContact O-CB 3.28Å; A305-L309 WeakPolarHBondContact O-CB 3.27Å; A305-L309 PolarHBondContact O-N 2.84Å
306	H	97.5	Very high	94.5	Very high	20 Å²	20	39.4 Å²	39.4	9%	0.093	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-42	172	-77.1	-75.7	0	0	0	111.9	P300 F302 A303 D304 A310 A329	P300-H306 PolarHBondContact O-NE2 3.4Å; F302-H306 PolarHBondContact O-CD2 3.42Å; F302-H306 VanDerWaalsContact O-CD2 3.24Å; F302-H306 PolarHBondContact O-N 3.38Å; A303-H306 PolarHBondContact O-N 3.13Å; D304-H306 PolarHBondContact O-N 3.03Å; H306-A310 WeakPolarHBondContact O-CB 3.14Å; H306-A310 PolarHBondContact O-N 3.42Å; H306-A329 HydrophobicContact CB-CB 3.93Å
307	S	96.7	Very high	94.2	Very high	8 Å²	8	40.3 Å²	40.3	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-43.4	176.8	-170.1	0	0	0	0	112.1	A303 D304 A310 S311	A303-S307 PolarHBondContact O-N 3.37Å; D304-S307 PolarHBondContact O-N 3.1Å; S307-A310 WeakPolarHBondContact O-CB 3.43Å; S307-A310 PolarHBondContact O-N 3.19Å; S307-S311 PolarHBondContact O-N 3.23Å
308	N	94.5	Very high	94	Very high	40 Å²	40	38.3 Å²	38.3	21%	0.214	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-41.8	178	-68.1	-21	0	0	0	112.1	N277 Y292 D304 A305 A310 S311 I312	N277-N308 PolarHBondContact OD1-ND2 3.4Å; Y292-N308 HydrophobicContact CD1-CB 3.86Å; Y292-N308 HydrophobicContact CD2-CB 4.19Å; Y292-N308 HydrophobicContact CE1-CB 3.49Å; Y292-N308 VanDerWaalsContact CE1-CB 3.49Å; Y292-N308 HydrophobicContact CE2-CB 3.83Å; Y292-N308 HydrophobicContact CG-CB 4.21Å; Y292-N308 VanDerWaalsContact CZ-CB 3.5Å; D304-N308 WeakPolarHBondContact O-CB 3.4Å; D304-N308 PolarHBondContact O-N 2.75Å; D304-N308 PolarHBondContact O-ND2 3.16Å; A305-N308 PolarHBondContact O-N 3.03Å; N308-A310 VanDerWaalsContact C-N 3.33Å; N308-A310 PolarHBondContact O-N 2.99Å; N308-S311 WeakPolarHBondContact O-CB 3.23Å; N308-S311 PolarHBondContact O-N 2.95Å; N308-I312 PolarHBondContact O-N 3.44Å; N308-I312 VanDerWaalsContact O-N 3.16Å
309	L	95.6	Very high	94	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-44.6	172.1	179.4	60.4	0	0	0	111.3	L289 I296 A305 S311 I312 H313	L289-L309 HydrophobicContact CD1-CD1 3.36Å; L289-L309 HydrophobicContact CG-CD1 4.4Å; I296-L309 HydrophobicContact CD1-CB 4.28Å; I296-L309 HydrophobicContact CD1-CD2 3.58Å; A305-L309 VanDerWaalsContact O-CB 3.28Å; A305-L309 WeakPolarHBondContact O-CB 3.27Å; A305-L309 PolarHBondContact O-N 2.84Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 2.88Å; L309-I312 PolarHBondContact O-N 3.48Å; L309-I312 VanDerWaalsContact O-N 3.16Å; L309-H313 PolarHBondContact O-CD2 3.16Å; L309-H313 PolarHBondContact O-N 3.41Å
310	A	96.4	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-38.2	176.6	0	0	0	0	0	112.3	H306 S307 N308 H313 K314 A322 Y326	H306-A310 WeakPolarHBondContact O-CB 3.14Å; H306-A310 PolarHBondContact O-N 3.42Å; S307-A310 WeakPolarHBondContact O-CB 3.43Å; S307-A310 PolarHBondContact O-N 3.19Å; N308-A310 VanDerWaalsContact C-N 3.33Å; N308-A310 PolarHBondContact O-N 2.99Å; A310-H313 PolarHBondContact O-N 3.38Å; A310-K314 WeakPolarHBondContact O-CB 3.44Å; A310-K314 PolarHBondContact O-N 3.44Å; A310-A322 WeakPolarHBondContact CB-O 3.31Å; A310-A322 VanDerWaalsContact O-CB 3.3Å; A310-A322 WeakPolarHBondContact O-CB 3.19Å; A310-Y326 HydrophobicContact CB-CD1 3.58Å; A310-Y326 HydrophobicContact CB-CD2 3.57Å; A310-Y326 HydrophobicContact CB-CE1 3.53Å; A310-Y326 HydrophobicContact CB-CE2 3.5Å; A310-Y326 VanDerWaalsContact CB-CE2 3.5Å; A310-Y326 HydrophobicContact CB-CG 3.57Å; A310-Y326 VanDerWaalsContact CB-CZ 3.46Å
311	S	93.3	Very high	94.1	Very high	16 Å²	16	36.5 Å²	36.5	11%	0.112	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-42	174.4	-178	0	0	0	0	112	K280 S307 N308 L309 K314 D315 Y326	K280-S311 PolarHBondContact NZ-OG 3.19Å; S307-S311 PolarHBondContact O-N 3.23Å; N308-S311 WeakPolarHBondContact O-CB 3.23Å; N308-S311 PolarHBondContact O-N 2.95Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 2.88Å; S311-K314 WeakPolarHBondContact O-CB 3.43Å; S311-K314 PolarHBondContact O-N 3.33Å; S311-D315 WeakPolarHBondContact O-CB 3.33Å; S311-D315 PolarHBondContact O-N 2.97Å; S311-D315 PolarHBondContact OG-OD2 3.07Å; S311-Y326 VanDerWaalsContact CA-OH 3.26Å; S311-Y326 WeakPolarHBondContact CA-OH 3.27Å; S311-Y326 PolarHBondContact N-OH 3.36Å
312	I	92.3	Very high	94.2	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-45.4	176	-72.6	-169.8	0	0	0	111.1	K280 V285 A288 L289 Y292 N308 L309 K314 D315 S316	K280-I312 HydrophobicContact CD-CG1 4.48Å; V285-I312 HydrophobicContact CG1-CG2 3.75Å; A288-I312 HydrophobicContact CB-CD1 3.5Å; L289-I312 HydrophobicContact CD1-CG2 3.93Å; Y292-I312 HydrophobicContact CD2-CD1 3.74Å; Y292-I312 HydrophobicContact CD2-CG1 4.43Å; Y292-I312 HydrophobicContact CE2-CD1 3.41Å; Y292-I312 VanDerWaalsContact CE2-CD1 3.41Å; Y292-I312 HydrophobicContact CE2-CG1 4Å; N308-I312 PolarHBondContact O-N 3.44Å; N308-I312 VanDerWaalsContact O-N 3.16Å; L309-I312 PolarHBondContact O-N 3.48Å; L309-I312 VanDerWaalsContact O-N 3.16Å; I312-K314 VanDerWaalsContact C-N 3.31Å; I312-K314 PolarHBondContact O-N 3.23Å; I312-D315 PolarHBondContact O-N 3.06Å; I312-S316 VanDerWaalsContact O-CB 3.3Å; I312-S316 WeakPolarHBondContact O-CB 3.22Å; I312-S316 PolarHBondContact O-N 2.91Å; I312-S316 PolarHBondContact O-OG 3.14Å
313	H	94.1	Very high	94.4	Very high	34 Å²	34	33.3 Å²	33.3	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-43.4	176.9	-76.4	-51.9	0	0	0	111.7	L309 A310 S316 G317 N318 E321 A322	L309-H313 PolarHBondContact O-CD2 3.16Å; L309-H313 PolarHBondContact O-N 3.41Å; A310-H313 PolarHBondContact O-N 3.38Å; H313-S316 PolarHBondContact O-N 3.39Å; H313-G317 PolarHBondContact O-N 2.62Å; H313-G317 VanDerWaalsContact O-N 3.16Å; H313-N318 HydrophobicContact CB-CB 4.19Å; H313-N318 CarbonylContact O-C 3.55Å; H313-N318 WeakPolarHBondContact O-CA 3.32Å; H313-N318 PolarHBondContact O-N 3.02Å; H313-E321 HydrophobicContact CB-CB 4.2Å; H313-A322 HydrophobicContact CB-CB 3.86Å
314	K	92.9	Very high	94.4	Very high	32 Å²	32	35.5 Å²	35.5	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-57.7	-52.6	174.3	-177.4	-168.3	70.7	176.6	0	111.3	A310 S311 I312 S316 G317 I319 A322 N342	A310-K314 WeakPolarHBondContact O-CB 3.44Å; A310-K314 PolarHBondContact O-N 3.44Å; S311-K314 WeakPolarHBondContact O-CB 3.43Å; S311-K314 PolarHBondContact O-N 3.33Å; I312-K314 VanDerWaalsContact C-N 3.31Å; I312-K314 PolarHBondContact O-N 3.23Å; K314-S316 PolarHBondContact O-N 3.01Å; K314-G317 PolarHBondContact O-N 2.91Å; K314-I319 HydrophobicContact CG-CD1 4.4Å; K314-A322 HydrophobicContact CB-CB 4.05Å; K314-N342 PolarHBondContact NZ-OD1 2.97Å
315	D	87.8	Confident	94.6	Very high	93 Å²	93	33.7 Å²	33.7	50%	0.497	20%	0.203	S	C	.	.	H	α-helix	trans	-67.9	-22.2	-176	-60.3	-19.1	0	0	0	112.2	K280 S311 I312	K280-D315 IonicContact NZ-OD2 2.68Å; S311-D315 WeakPolarHBondContact O-CB 3.33Å; S311-D315 PolarHBondContact O-N 2.97Å; S311-D315 PolarHBondContact OG-OD2 3.07Å; I312-D315 PolarHBondContact O-N 3.06Å
316	S	88.5	Confident	94.8	Very high	64 Å²	64	33.7 Å²	33.7	45%	0.448	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.9	174.6	-52.3	0	0	0	0	113.8	I312 H313 K314	I312-S316 VanDerWaalsContact O-CB 3.3Å; I312-S316 WeakPolarHBondContact O-CB 3.22Å; I312-S316 PolarHBondContact O-N 2.91Å; I312-S316 PolarHBondContact O-OG 3.14Å; H313-S316 PolarHBondContact O-N 3.39Å; K314-S316 PolarHBondContact O-N 3.01Å
317	G	89.3	Confident	94.8	Very high	48 Å²	48	38.9 Å²	38.9	50%	0.495	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	1.9	-178.4	0	0	0	0	0	115.6	H313 K314 I319	H313-G317 PolarHBondContact O-N 2.62Å; H313-G317 VanDerWaalsContact O-N 3.16Å; K314-G317 PolarHBondContact O-N 2.91Å; G317-I319 PolarHBondContact O-N 3.15Å
318	N	93.9	Very high	94.9	Very high	79 Å²	79	41.2 Å²	41.2	42%	0.422	24%	0.236	S	C	.	.			trans	-83.3	65	176.7	-66.1	-19.9	0	0	0	110.1	H313 E321 A322	H313-N318 HydrophobicContact CB-CB 4.19Å; H313-N318 CarbonylContact O-C 3.55Å; H313-N318 WeakPolarHBondContact O-CA 3.32Å; H313-N318 PolarHBondContact O-N 3.02Å; N318-E321 HydrophobicContact CB-CB 4.45Å; N318-E321 WeakPolarHBondContact CB-OE2 3.41Å; N318-E321 PolarHBondContact O-N 3.37Å; N318-A322 PolarHBondContact O-N 2.93Å; N318-A322 VanDerWaalsContact O-N 3.11Å
319	I	95.8	Very high	95	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.051	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-40.2	-171.5	-48.9	-57.4	0	0	0	113.6	K314 G317 E321 A322 I323 C346 I349 V350	K314-I319 HydrophobicContact CG-CD1 4.4Å; G317-I319 PolarHBondContact O-N 3.15Å; I319-E321 PolarHBondContact O-N 2.85Å; I319-A322 WeakPolarHBondContact O-CB 3.39Å; I319-A322 PolarHBondContact O-N 2.82Å; I319-I323 HydrophobicContact CG2-CD1 3.99Å; I319-I323 HydrophobicContact CG2-CG1 4.36Å; I319-I323 WeakPolarHBondContact O-CG1 3.44Å; I319-I323 PolarHBondContact O-N 2.77Å; I319-C346 HydrophobicContact CG2-CB 3.97Å; I319-I349 HydrophobicContact CD1-CD1 4.32Å; I319-I349 HydrophobicContact CD1-CG2 4.4Å; I319-I349 HydrophobicContact CG1-CG2 4.05Å; I319-I349 HydrophobicContact CG2-CG2 4.34Å; I319-V350 HydrophobicContact CB-CG1 4.12Å; I319-V350 HydrophobicContact CG2-CG1 3.5Å
320	P	96.5	Very high	95.1	Very high	60 Å²	60	39.7 Å²	39.7	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-59.2	-44.1	177	-25.6	36.2	0	0	0	113.4	I323 A324 V755	P320-I323 PolarHBondContact O-N 2.83Å; P320-A324 PolarHBondContact O-N 3.43Å; P320-V755 HydrophobicContact CG-CB 4.45Å; P320-V755 HydrophobicContact CG-CG1 3.87Å; P320-V755 HydrophobicContact CG-CG2 4.48Å
321	E	96	Very high	95.2	Very high	93 Å²	93	48.5 Å²	48.5	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176.7	-67.4	73.2	-165.9	0	0	110.6	H313 N318 I319 I323 A324 S325	H313-E321 HydrophobicContact CB-CB 4.2Å; N318-E321 HydrophobicContact CB-CB 4.45Å; N318-E321 WeakPolarHBondContact CB-OE2 3.41Å; N318-E321 PolarHBondContact O-N 3.37Å; I319-E321 PolarHBondContact O-N 2.85Å; E321-I323 VanDerWaalsContact C-N 3.35Å; E321-I323 PolarHBondContact O-N 2.57Å; E321-A324 PolarHBondContact O-N 3.36Å; E321-S325 PolarHBondContact O-N 3.16Å; E321-S325 PolarHBondContact O-OG 3.31Å
322	A	97.5	Very high	95.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-45.3	174.3	0	0	0	0	0	112.1	A310 H313 K314 N318 I319 A324 S325 Y326	A310-A322 WeakPolarHBondContact CB-O 3.31Å; A310-A322 VanDerWaalsContact O-CB 3.3Å; A310-A322 WeakPolarHBondContact O-CB 3.19Å; H313-A322 HydrophobicContact CB-CB 3.86Å; K314-A322 HydrophobicContact CB-CB 4.05Å; N318-A322 PolarHBondContact O-N 2.93Å; N318-A322 VanDerWaalsContact O-N 3.11Å; I319-A322 WeakPolarHBondContact O-CB 3.39Å; I319-A322 PolarHBondContact O-N 2.82Å; A322-A324 PolarHBondContact O-N 2.72Å; A322-S325 PolarHBondContact O-N 2.89Å; A322-Y326 HydrophobicContact CB-CD2 4.47Å; A322-Y326 HydrophobicContact CB-CE2 4.32Å; A322-Y326 WeakPolarHBondContact O-CD2 3.43Å; A322-Y326 PolarHBondContact O-N 2.73Å
323	I	98.2	Very high	95.5	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.087	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-45.9	177.4	-70.8	166.5	0	0	0	110.8	I319 P320 E321 Y326 R327 L343 C346 L347 V350	I319-I323 HydrophobicContact CG2-CD1 3.99Å; I319-I323 HydrophobicContact CG2-CG1 4.36Å; I319-I323 WeakPolarHBondContact O-CG1 3.44Å; I319-I323 PolarHBondContact O-N 2.77Å; P320-I323 PolarHBondContact O-N 2.83Å; E321-I323 VanDerWaalsContact C-N 3.35Å; E321-I323 PolarHBondContact O-N 2.57Å; I323-Y326 PolarHBondContact O-N 3.48Å; I323-R327 HydrophobicContact CG2-CG 4.47Å; I323-R327 WeakPolarHBondContact O-CB 3.36Å; I323-R327 VanDerWaalsContact O-CG 3.32Å; I323-R327 WeakPolarHBondContact O-CG 3.31Å; I323-R327 PolarHBondContact O-N 3.25Å; I323-L343 HydrophobicContact CB-CD1 4.29Å; I323-L343 HydrophobicContact CG1-CD1 4.19Å; I323-L343 HydrophobicContact CG2-CD1 3.96Å; I323-C346 HydrophobicContact CD1-CB 4.21Å; I323-C346 HydrophobicContact CG1-CB 3.62Å; I323-L347 HydrophobicContact CD1-CD2 4.12Å; I323-L347 HydrophobicContact CG1-CD2 4.44Å; I323-L347 HydrophobicContact CG2-CD2 4.36Å; I323-V350 HydrophobicContact CD1-CG1 4.29Å; I323-V350 HydrophobicContact CD1-CG2 3.93Å
324	A	97.8	Very high	95.6	Very high	52 Å²	52	56.1 Å²	56.1	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-44.2	179.2	0	0	0	0	0	112.2	P320 E321 A322 R327 T328	P320-A324 PolarHBondContact O-N 3.43Å; E321-A324 PolarHBondContact O-N 3.36Å; A322-A324 PolarHBondContact O-N 2.72Å; A324-R327 PolarHBondContact O-N 2.95Å; A324-T328 PolarHBondContact O-N 3.36Å; A324-T328 PolarHBondContact O-OG1 2.83Å
325	S	97.7	Very high	95.6	Very high	17 Å²	17	61 Å²	61	12%	0.119	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-42.7	178.1	-67.7	0	0	0	0	112.4	E321 A322 R327 T328 A329	E321-S325 PolarHBondContact O-N 3.16Å; E321-S325 PolarHBondContact O-OG 3.31Å; A322-S325 PolarHBondContact O-N 2.89Å; S325-R327 PolarHBondContact O-N 3.4Å; S325-T328 WeakPolarHBondContact O-CB 3.18Å; S325-T328 PolarHBondContact O-N 3.12Å; S325-A329 PolarHBondContact O-N 3.09Å
326	Y	98.4	Very high	96	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-40.3	174.7	-75.8	-55.6	0	0	0	112.7	A310 S311 A322 I323 T328 A329 L330 A339 N342 L343	A310-Y326 HydrophobicContact CB-CD1 3.58Å; A310-Y326 HydrophobicContact CB-CD2 3.57Å; A310-Y326 HydrophobicContact CB-CE1 3.53Å; A310-Y326 HydrophobicContact CB-CE2 3.5Å; A310-Y326 VanDerWaalsContact CB-CE2 3.5Å; A310-Y326 HydrophobicContact CB-CG 3.57Å; A310-Y326 VanDerWaalsContact CB-CZ 3.46Å; S311-Y326 VanDerWaalsContact CA-OH 3.26Å; S311-Y326 WeakPolarHBondContact CA-OH 3.27Å; S311-Y326 PolarHBondContact N-OH 3.36Å; A322-Y326 HydrophobicContact CB-CD2 4.47Å; A322-Y326 HydrophobicContact CB-CE2 4.32Å; A322-Y326 WeakPolarHBondContact O-CD2 3.43Å; A322-Y326 PolarHBondContact O-N 2.73Å; I323-Y326 PolarHBondContact O-N 3.48Å; Y326-T328 VanDerWaalsContact C-N 3.28Å; Y326-T328 PolarHBondContact O-N 2.82Å; Y326-A329 PolarHBondContact O-N 2.96Å; Y326-L330 WeakPolarHBondContact O-CG 3.48Å; Y326-L330 PolarHBondContact O-N 2.7Å; Y326-A339 HydrophobicContact CD1-CB 4.01Å; Y326-N342 HydrophobicContact CD1-CB 4.4Å; Y326-N342 HydrophobicContact CD2-CB 4.48Å; Y326-N342 HydrophobicContact CE1-CB 3.68Å; Y326-N342 HydrophobicContact CE2-CB 3.79Å; Y326-N342 WeakPolarHBondContact OH-CB 3.48Å; Y326-L343 HydrophobicContact CG-CB 4.33Å
327	R	98	Very high	96.4	Very high	130 Å²	130	55.8 Å²	55.8	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-39.6	173.9	-77.2	177.7	174.7	166.9	1.6	111.5	I323 A324 S325 L330 K331 L343 D352	I323-R327 HydrophobicContact CG2-CG 4.47Å; I323-R327 WeakPolarHBondContact O-CB 3.36Å; I323-R327 VanDerWaalsContact O-CG 3.32Å; I323-R327 WeakPolarHBondContact O-CG 3.31Å; I323-R327 PolarHBondContact O-N 3.25Å; A324-R327 PolarHBondContact O-N 2.95Å; S325-R327 PolarHBondContact O-N 3.4Å; R327-L330 PolarHBondContact O-N 2.83Å; R327-K331 WeakPolarHBondContact O-CB 3.4Å; R327-K331 PolarHBondContact O-N 3.4Å; R327-L343 HydrophobicContact CG-CD1 4.39Å; R327-L343 HydrophobicContact CG-CD2 4.04Å; R327-D352 IonicContact NH2-OD2 2.75Å
328	T	97.8	Very high	96.6	Very high	57 Å²	57	57.1 Å²	57.1	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-46.3	175.2	-56.2	0	0	0	0	111.3	A324 S325 Y326 L330 K331 L332	A324-T328 PolarHBondContact O-N 3.36Å; A324-T328 PolarHBondContact O-OG1 2.83Å; S325-T328 WeakPolarHBondContact O-CB 3.18Å; S325-T328 PolarHBondContact O-N 3.12Å; Y326-T328 VanDerWaalsContact C-N 3.28Å; Y326-T328 PolarHBondContact O-N 2.82Å; T328-L330 VanDerWaalsContact C-N 3.33Å; T328-L330 PolarHBondContact O-N 3.18Å; T328-K331 PolarHBondContact O-N 3.46Å; T328-L332 HydrophobicContact CG2-CD1 4.16Å; T328-L332 WeakPolarHBondContact O-CG 3.31Å; T328-L332 PolarHBondContact O-N 3.4Å
329	A	97.8	Very high	96.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-45.1	175.7	0	0	0	0	0	112	A303 H306 S325 Y326 L332 K333 F336 A339	A303-A329 WeakPolarHBondContact O-CB 3.29Å; H306-A329 HydrophobicContact CB-CB 3.93Å; S325-A329 PolarHBondContact O-N 3.09Å; Y326-A329 PolarHBondContact O-N 2.96Å; A329-L332 PolarHBondContact O-N 2.6Å; A329-K333 PolarHBondContact O-N 3.26Å; A329-F336 HydrophobicContact CB-CD1 4.39Å; A329-F336 HydrophobicContact CB-CE1 4.45Å; A329-A339 HydrophobicContact CB-CB 4.36Å
330	L	97.3	Very high	96.8	Very high	26 Å²	26	54.3 Å²	54.3	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-28.4	178.8	-71.7	165.2	0	0	0	113.6	Y326 R327 T328 K333 P334 F336 A339 Y340 L343	Y326-L330 WeakPolarHBondContact O-CG 3.48Å; Y326-L330 PolarHBondContact O-N 2.7Å; R327-L330 PolarHBondContact O-N 2.83Å; T328-L330 VanDerWaalsContact C-N 3.33Å; T328-L330 PolarHBondContact O-N 3.18Å; L330-K333 WeakPolarHBondContact CA-O 3.28Å; L330-K333 CarbonylContact O-C 3.11Å; L330-K333 VanDerWaalsContact O-C 3.28Å; L330-P334 VanDerWaalsContact O-CA 3.26Å; L330-P334 WeakPolarHBondContact O-CA 3.44Å; L330-F336 HydrophobicContact CD2-CB 4.03Å; L330-A339 HydrophobicContact CD2-CB 4.09Å; L330-A339 HydrophobicContact CG-CB 4.06Å; L330-Y340 HydrophobicContact CD1-CD2 4.3Å; L330-L343 HydrophobicContact CD1-CB 4.38Å; L330-L343 HydrophobicContact CD1-CD2 3.57Å
331	K	97.6	Very high	96.8	Very high	184 Å²	184	51.7 Å²	51.7	80%	0.8	27%	0.268	S	S	*	.	H	α-helix	trans	-67.2	-38.9	171.6	-174.8	-179.1	178.9	-177	0	111.4	R327 T328	R327-K331 WeakPolarHBondContact O-CB 3.4Å; R327-K331 PolarHBondContact O-N 3.4Å; T328-K331 PolarHBondContact O-N 3.46Å
332	L	96.5	Very high	96.9	Very high	72 Å²	72	48.7 Å²	48.7	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-75.4	-39.2	178	-66.1	168.7	0	0	0	111.8	A301 A303 T328 A329	A301-L332 HydrophobicContact CB-CD2 4.14Å; A303-L332 HydrophobicContact CB-CB 3.95Å; T328-L332 HydrophobicContact CG2-CD1 4.16Å; T328-L332 WeakPolarHBondContact O-CG 3.31Å; T328-L332 PolarHBondContact O-N 3.4Å; A329-L332 PolarHBondContact O-N 2.6Å
333	K	96.8	Very high	96.9	Very high	47 Å²	47	49.5 Å²	49.5	20%	0.204	26%	0.259	C	S	.	.			trans	-134.4	91.9	-179.3	-173.5	-179.3	175.1	179	0	109.9	P23 A303 D304 A329 L330 D335 F336	P23-K333 HydrophobicContact CG-CD 4.45Å; A303-K333 HydrophobicContact CB-CB 3.73Å; A303-K333 HydrophobicContact CB-CD 4.4Å; D304-K333 IonicContact OD1-NZ 3.97Å; A329-K333 PolarHBondContact O-N 3.26Å; L330-K333 WeakPolarHBondContact CA-O 3.28Å; L330-K333 CarbonylContact O-C 3.11Å; L330-K333 VanDerWaalsContact O-C 3.28Å; K333-D335 VanDerWaalsContact C-N 3.34Å; K333-D335 WeakPolarHBondContact CE-O 3.12Å; K333-D335 PolarHBondContact O-N 2.96Å; K333-F336 HydrophobicContact CB-CB 4.39Å; K333-F336 HydrophobicContact CB-CD1 4.36Å; K333-F336 HydrophobicContact CD-CB 4.13Å; K333-F336 HydrophobicContact CD-CD1 3.96Å; K333-F336 HydrophobicContact CD-CG 4.04Å; K333-F336 HydrophobicContact CG-CB 4.07Å; K333-F336 HydrophobicContact CG-CD1 4.48Å; K333-F336 HydrophobicContact CG-CG 4.49Å; K333-F336 WeakPolarHBondContact O-CB 3.48Å
334	P	94.8	Very high	96.8	Very high	98 Å²	98	48.7 Å²	48.7	64%	0.636	26%	0.255	S	S	*	.	S	Bend	trans	-64.1	-33.1	-178	-26.8	36.3	0	0	0	114.8	L330 F336	L330-P334 VanDerWaalsContact O-CA 3.26Å; L330-P334 WeakPolarHBondContact O-CA 3.44Å; P334-F336 PolarHBondContact O-N 3.17Å
335	D	93.8	Very high	96.8	Very high	134 Å²	134	47 Å²	47	72%	0.717	24%	0.238	S	C	*	.	S	Bend	trans	-89.4	73.6	172.5	-172.7	22.2	0	0	0	110.2	K333	K333-D335 VanDerWaalsContact C-N 3.34Å; K333-D335 WeakPolarHBondContact CE-O 3.12Å; K333-D335 PolarHBondContact O-N 2.96Å
336	F	96.3	Very high	96.8	Very high	15 Å²	15	46.2 Å²	46.2	7%	0.066	23%	0.232	C	C	.	.			trans	-133.6	82.5	178.4	-161.9	174.8	0	0	0	111.3	A303 D304 A329 L330 K333 P334 D338 A339 Y340	A303-F336 HydrophobicContact CB-CE1 4.43Å; D304-F336 VanDerWaalsContact OD1-CZ 3.25Å; D304-F336 WeakPolarHBondContact OD1-CZ 3.45Å; A329-F336 HydrophobicContact CB-CD1 4.39Å; A329-F336 HydrophobicContact CB-CE1 4.45Å; L330-F336 HydrophobicContact CD2-CB 4.03Å; K333-F336 HydrophobicContact CB-CB 4.39Å; K333-F336 HydrophobicContact CB-CD1 4.36Å; K333-F336 HydrophobicContact CD-CB 4.13Å; K333-F336 HydrophobicContact CD-CD1 3.96Å; K333-F336 HydrophobicContact CD-CG 4.04Å; K333-F336 HydrophobicContact CG-CB 4.07Å; K333-F336 HydrophobicContact CG-CD1 4.48Å; K333-F336 HydrophobicContact CG-CG 4.49Å; K333-F336 WeakPolarHBondContact O-CB 3.48Å; P334-F336 PolarHBondContact O-N 3.17Å; F336-D338 HydrophobicContact CD2-CB 4.32Å; F336-D338 HydrophobicContact CE2-CB 4Å; F336-D338 PolarHBondContact O-N 2.97Å; F336-A339 HydrophobicContact CB-CB 4.14Å; F336-A339 HydrophobicContact CD1-CB 3.59Å; F336-A339 HydrophobicContact CD2-CB 4.18Å; F336-A339 HydrophobicContact CE1-CB 4.03Å; F336-A339 HydrophobicContact CG-CB 3.68Å; F336-A339 PolarHBondContact O-N 3.43Å; F336-Y340 PolarHBondContact O-N 3.07Å
337	P	96.1	Very high	96.8	Very high	33 Å²	33	46.5 Å²	46.5	21%	0.214	23%	0.234	C	C	.	.	H	α-helix	trans	-49.6	-47.2	-178.3	-34.5	40	0	0	0	115.2	A339 Y340 C341 I366 S378	P337-A339 PolarHBondContact O-N 3.05Å; P337-Y340 PolarHBondContact O-N 3.34Å; P337-C341 PolarHBondContact O-N 2.75Å; P337-I366 HydrophobicContact CB-CG2 3.72Å; P337-I366 HydrophobicContact CG-CG2 4.34Å; P337-S378 WeakPolarHBondContact CB-OG 3.46Å
338	D	93.9	Very high	96.8	Very high	76 Å²	76	40.3 Å²	40.3	41%	0.406	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-45.5	-177.8	-62.2	-49.8	0	0	0	112.3	F336 Y340 N342 S378	F336-D338 HydrophobicContact CD2-CB 4.32Å; F336-D338 HydrophobicContact CE2-CB 4Å; F336-D338 PolarHBondContact O-N 2.97Å; D338-Y340 VanDerWaalsContact C-N 3.31Å; D338-Y340 PolarHBondContact O-N 3.3Å; D338-N342 WeakPolarHBondContact O-CB 3.47Å; D338-N342 PolarHBondContact O-N 3.01Å; D338-N342 PolarHBondContact O-ND2 3.43Å; D338-S378 WeakPolarHBondContact CA-OG 3.47Å; D338-S378 PolarHBondContact N-OG 3.44Å; D338-S378 WeakPolarHBondContact OD1-CA 3.37Å; D338-S378 WeakPolarHBondContact OD1-CB 3.36Å; D338-S378 PolarHBondContact OD1-OG 3.14Å
339	A	96.4	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-37.9	176.2	0	0	0	0	0	111.3	Y326 A329 L330 F336 P337 L343	Y326-A339 HydrophobicContact CD1-CB 4.01Å; A329-A339 HydrophobicContact CB-CB 4.36Å; L330-A339 HydrophobicContact CD2-CB 4.09Å; L330-A339 HydrophobicContact CG-CB 4.06Å; F336-A339 HydrophobicContact CB-CB 4.14Å; F336-A339 HydrophobicContact CD1-CB 3.59Å; F336-A339 HydrophobicContact CD2-CB 4.18Å; F336-A339 HydrophobicContact CE1-CB 4.03Å; F336-A339 HydrophobicContact CG-CB 3.68Å; F336-A339 PolarHBondContact O-N 3.43Å; P337-A339 PolarHBondContact O-N 3.05Å; A339-L343 VanDerWaalsContact O-CB 3.24Å; A339-L343 WeakPolarHBondContact O-CB 3.42Å; A339-L343 PolarHBondContact O-N 3Å
340	Y	98	Very high	96.7	Very high	29 Å²	29	39.1 Å²	39.1	11%	0.114	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-51.1	178.9	-171.2	-91.4	0	0	0	112.6	L330 F336 P337 D338 N342 L343 A344 R359 K362 I366	L330-Y340 HydrophobicContact CD1-CD2 4.3Å; F336-Y340 PolarHBondContact O-N 3.07Å; P337-Y340 PolarHBondContact O-N 3.34Å; D338-Y340 VanDerWaalsContact C-N 3.31Å; D338-Y340 PolarHBondContact O-N 3.3Å; Y340-N342 VanDerWaalsContact C-N 3.35Å; Y340-N342 PolarHBondContact O-N 3.02Å; Y340-L343 PolarHBondContact O-N 3.22Å; Y340-A344 WeakPolarHBondContact O-CB 3.46Å; Y340-A344 PolarHBondContact O-N 3.12Å; Y340-R359 HydrophobicContact CE1-CG 4.36Å; Y340-R359 WeakPolarHBondContact OH-CA 3.45Å; Y340-R359 WeakPolarHBondContact OH-CG 3.38Å; Y340-K362 HydrophobicContact CD1-CG 4.49Å; Y340-K362 HydrophobicContact CE1-CB 4.06Å; Y340-K362 HydrophobicContact CE1-CD 4.04Å; Y340-K362 HydrophobicContact CE1-CG 3.77Å; Y340-K362 HydrophobicContact CE2-CD 3.83Å; Y340-K362 HydrophobicContact CE2-CG 4.48Å; Y340-I366 HydrophobicContact CD1-CD1 3.46Å; Y340-I366 VanDerWaalsContact CD1-CD1 3.46Å; Y340-I366 HydrophobicContact CE1-CD1 4.07Å; Y340-I366 HydrophobicContact CG-CD1 4.01Å
341	C	97	Very high	96.8	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-39.7	179.5	-70.5	0	0	0	0	111.8	P337 A344 H345 V379	P337-C341 PolarHBondContact O-N 2.75Å; C341-A344 PolarHBondContact O-N 3.41Å; C341-H345 PolarHBondContact O-N 3.23Å; C341-V379 HydrophobicContact CB-CG2 4.21Å
342	N	96.8	Very high	96.8	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.16	16%	0.164	C	C	.	.	H	α-helix	trans	-68.4	-38.5	175.4	-78.2	-64	0	0	0	112.7	K314 Y326 D338 Y340 H345 C346	K314-N342 PolarHBondContact NZ-OD1 2.97Å; Y326-N342 HydrophobicContact CD1-CB 4.4Å; Y326-N342 HydrophobicContact CD2-CB 4.48Å; Y326-N342 HydrophobicContact CE1-CB 3.68Å; Y326-N342 HydrophobicContact CE2-CB 3.79Å; Y326-N342 WeakPolarHBondContact OH-CB 3.48Å; D338-N342 WeakPolarHBondContact O-CB 3.47Å; D338-N342 PolarHBondContact O-N 3.01Å; D338-N342 PolarHBondContact O-ND2 3.43Å; Y340-N342 VanDerWaalsContact C-N 3.35Å; Y340-N342 PolarHBondContact O-N 3.02Å; N342-H345 WeakPolarHBondContact O-CB 3.3Å; N342-H345 PolarHBondContact O-N 2.65Å; N342-C346 PolarHBondContact O-N 2.66Å; N342-C346 PolarHBondContact O-SG 3.12Å; N342-C346 VanDerWaalsContact O-SG 3.4Å
343	L	97.7	Very high	96.8	Very high	16 Å²	16	27.5 Å²	27.5	8%	0.084	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-46.7	171.8	176.7	58.7	0	0	0	111	I323 Y326 R327 L330 A339 Y340 H345 C346 L347	I323-L343 HydrophobicContact CB-CD1 4.29Å; I323-L343 HydrophobicContact CG1-CD1 4.19Å; I323-L343 HydrophobicContact CG2-CD1 3.96Å; Y326-L343 HydrophobicContact CG-CB 4.33Å; R327-L343 HydrophobicContact CG-CD1 4.39Å; R327-L343 HydrophobicContact CG-CD2 4.04Å; L330-L343 HydrophobicContact CD1-CB 4.38Å; L330-L343 HydrophobicContact CD1-CD2 3.57Å; A339-L343 VanDerWaalsContact O-CB 3.24Å; A339-L343 WeakPolarHBondContact O-CB 3.42Å; A339-L343 PolarHBondContact O-N 3Å; Y340-L343 PolarHBondContact O-N 3.22Å; L343-H345 PolarHBondContact O-N 3.44Å; L343-C346 PolarHBondContact O-N 3.33Å; L343-C346 VanDerWaalsContact O-N 3.08Å; L343-L347 HydrophobicContact CD1-CD1 4.16Å; L343-L347 HydrophobicContact CD1-CD2 4.34Å; L343-L347 HydrophobicContact CD1-CG 4Å; L343-L347 HydrophobicContact CG-CD1 4Å; L343-L347 HydrophobicContact CG-CG 4.28Å; L343-L347 WeakPolarHBondContact O-CG 3.43Å; L343-L347 PolarHBondContact O-N 3.49Å
344	A	97.4	Very high	96.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-37.8	177.7	0	0	0	0	0	111.9	Y340 C341 Q348 R359 L363	Y340-A344 WeakPolarHBondContact O-CB 3.46Å; Y340-A344 PolarHBondContact O-N 3.12Å; C341-A344 PolarHBondContact O-N 3.41Å; A344-Q348 PolarHBondContact O-N 3.21Å; A344-R359 HydrophobicContact CB-CG 3.95Å; A344-L363 HydrophobicContact CB-CD1 4.1Å
345	H	97.1	Very high	96.9	Very high	16 Å²	16	29.2 Å²	29.2	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-66.8	-45.1	173	-170	68.8	0	0	0	112.8	C341 N342 L343 L347 Q348 I349 H383 Y387	C341-H345 PolarHBondContact O-N 3.23Å; N342-H345 WeakPolarHBondContact O-CB 3.3Å; N342-H345 PolarHBondContact O-N 2.65Å; L343-H345 PolarHBondContact O-N 3.44Å; H345-L347 VanDerWaalsContact C-N 3.3Å; H345-L347 PolarHBondContact O-N 2.89Å; H345-Q348 WeakPolarHBondContact O-CB 3.46Å; H345-Q348 PolarHBondContact O-N 3.38Å; H345-Q348 VanDerWaalsContact O-N 3.16Å; H345-I349 WeakPolarHBondContact O-CG1 3.09Å; H345-I349 PolarHBondContact O-N 3.01Å; H345-H383 AromaticContact CD2-CE1 3.75Å; H345-H383 AromaticContact CD2-ND1 3.98Å; H345-H383 AromaticContact CE1-CD2 3.48Å; H345-H383 PolarHBondContact CE1-CD2 3.47Å; H345-H383 VanDerWaalsContact CE1-CD2 3.48Å; H345-H383 AromaticContact CE1-CE1 3.84Å; H345-H383 AromaticContact CE1-CG 3.62Å; H345-H383 AromaticContact CE1-ND1 3.83Å; H345-H383 AromaticContact CE1-NE2 3.68Å; H345-H383 AromaticContact CG-ND1 3.79Å; H345-H383 AromaticContact ND1-CD2 3.98Å; H345-H383 AromaticContact ND1-CG 3.63Å; H345-H383 AromaticContact ND1-ND1 3.69Å; H345-H383 AromaticContact NE2-CD2 3.86Å; H345-H383 AromaticContact NE2-CE1 3.62Å; H345-H383 AromaticContact NE2-NE2 3.55Å; H345-Y387 WeakPolarHBondContact CB-OH 3.43Å; H345-Y387 PolarHBondContact ND1-OH 3.09Å; H345-Y387 VanDerWaalsContact ND1-OH 3.15Å
346	C	97.7	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-40.4	175.1	-68.9	0	0	0	0	112.3	I319 I323 N342 L343 Q348 I349 V350	I319-C346 HydrophobicContact CG2-CB 3.97Å; I323-C346 HydrophobicContact CD1-CB 4.21Å; I323-C346 HydrophobicContact CG1-CB 3.62Å; N342-C346 PolarHBondContact O-N 2.66Å; N342-C346 PolarHBondContact O-SG 3.12Å; N342-C346 VanDerWaalsContact O-SG 3.4Å; L343-C346 PolarHBondContact O-N 3.33Å; L343-C346 VanDerWaalsContact O-N 3.08Å; C346-Q348 VanDerWaalsContact C-N 3.34Å; C346-I349 WeakPolarHBondContact O-CB 3.43Å; C346-I349 PolarHBondContact O-N 3.06Å; C346-V350 PolarHBondContact O-N 2.81Å; C346-V350 VanDerWaalsContact O-N 3.17Å
347	L	98.2	Very high	97	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-37.6	175.8	-64.6	174.3	0	0	0	111.5	I323 L343 H345 V350 C351 D352	I323-L347 HydrophobicContact CD1-CD2 4.12Å; I323-L347 HydrophobicContact CG1-CD2 4.44Å; I323-L347 HydrophobicContact CG2-CD2 4.36Å; L343-L347 HydrophobicContact CD1-CD1 4.16Å; L343-L347 HydrophobicContact CD1-CD2 4.34Å; L343-L347 HydrophobicContact CD1-CG 4Å; L343-L347 HydrophobicContact CG-CD1 4Å; L343-L347 HydrophobicContact CG-CG 4.28Å; L343-L347 WeakPolarHBondContact O-CG 3.43Å; L343-L347 PolarHBondContact O-N 3.49Å; H345-L347 VanDerWaalsContact C-N 3.3Å; H345-L347 PolarHBondContact O-N 2.89Å; L347-V350 PolarHBondContact O-N 2.88Å; L347-C351 PolarHBondContact O-N 3.3Å; L347-C351 VanDerWaalsContact O-N 3.09Å; L347-D352 HydrophobicContact CB-CB 4.22Å; L347-D352 HydrophobicContact CD2-CB 3.8Å; L347-D352 WeakPolarHBondContact CD2-OD2 3.34Å; L347-D352 PolarHBondContact O-N 3.14Å
348	Q	97.4	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-42.1	171.4	-176.7	59.5	29.8	0	0	111.8	A344 H345 C346 V350 C351 Y725 I727	A344-Q348 PolarHBondContact O-N 3.21Å; H345-Q348 WeakPolarHBondContact O-CB 3.46Å; H345-Q348 PolarHBondContact O-N 3.38Å; H345-Q348 VanDerWaalsContact O-N 3.16Å; C346-Q348 VanDerWaalsContact C-N 3.34Å; Q348-V350 VanDerWaalsContact C-N 3.32Å; Q348-V350 PolarHBondContact O-N 2.99Å; Q348-C351 PolarHBondContact O-N 2.6Å; Q348-Y725 PolarHBondContact NE2-O 3.07Å; Q348-I727 PolarHBondContact NE2-O 3.27Å
349	I	96.7	Very high	97.2	Very high	22 Å²	22	31 Å²	31	11%	0.113	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-41.2	178.7	-73	166.7	0	0	0	112.4	I319 H345 C346 C351 P753	I319-I349 HydrophobicContact CD1-CD1 4.32Å; I319-I349 HydrophobicContact CD1-CG2 4.4Å; I319-I349 HydrophobicContact CG1-CG2 4.05Å; I319-I349 HydrophobicContact CG2-CG2 4.34Å; H345-I349 WeakPolarHBondContact O-CG1 3.09Å; H345-I349 PolarHBondContact O-N 3.01Å; C346-I349 WeakPolarHBondContact O-CB 3.43Å; C346-I349 PolarHBondContact O-N 3.06Å; I349-C351 VanDerWaalsContact C-N 3.33Å; I349-P753 HydrophobicContact CG2-CG 3.57Å
350	V	97.6	Very high	97.3	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.1	-179	-51.7	0	0	0	0	112.9	I319 I323 C346 L347 Q348 D352 V755 G756 N759	I319-V350 HydrophobicContact CB-CG1 4.12Å; I319-V350 HydrophobicContact CG2-CG1 3.5Å; I323-V350 HydrophobicContact CD1-CG1 4.29Å; I323-V350 HydrophobicContact CD1-CG2 3.93Å; C346-V350 PolarHBondContact O-N 2.81Å; C346-V350 VanDerWaalsContact O-N 3.17Å; L347-V350 PolarHBondContact O-N 2.88Å; Q348-V350 VanDerWaalsContact C-N 3.32Å; Q348-V350 PolarHBondContact O-N 2.99Å; V350-D352 HydrophobicContact CG2-CB 3.95Å; V350-D352 PolarHBondContact O-N 3.15Å; V350-V755 HydrophobicContact CB-CG2 4.31Å; V350-V755 HydrophobicContact CG1-CG2 3.56Å; V350-G756 WeakPolarHBondContact O-CA 3.32Å; V350-N759 PolarHBondContact O-ND2 3.29Å
351	C	98.2	Very high	97.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	35.2	-176.9	-52.3	0	0	0	0	113.8	L347 Q348 I349 W353 N759 I760 Y763	L347-C351 PolarHBondContact O-N 3.3Å; L347-C351 VanDerWaalsContact O-N 3.09Å; Q348-C351 PolarHBondContact O-N 2.6Å; I349-C351 VanDerWaalsContact C-N 3.33Å; C351-W353 HydrophobicContact CB-CH2 4.48Å; C351-W353 HydrophobicContact CB-CZ2 3.8Å; C351-W353 PolarHBondContact O-N 3.47Å; C351-N759 HydrophobicContact CB-CB 4.38Å; C351-N759 WeakPolarHBondContact O-CB 3.47Å; C351-I760 HydrophobicContact CB-CD1 3.78Å; C351-I760 HydrophobicContact CB-CG1 4.02Å; C351-Y763 VanDerWaalsContact O-CE2 3.3Å; C351-Y763 WeakPolarHBondContact O-CE2 3.48Å
352	D	98.1	Very high	97.3	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.128	21%	0.207	C	C	.	.			trans	-81.7	106.8	169.1	-176.4	-15.5	0	0	0	109	R327 L347 V350 T354 R359	R327-D352 IonicContact NH2-OD2 2.75Å; L347-D352 HydrophobicContact CB-CB 4.22Å; L347-D352 HydrophobicContact CD2-CB 3.8Å; L347-D352 WeakPolarHBondContact CD2-OD2 3.34Å; L347-D352 PolarHBondContact O-N 3.14Å; V350-D352 HydrophobicContact CG2-CB 3.95Å; V350-D352 PolarHBondContact O-N 3.15Å; D352-T354 WeakPolarHBondContact OD1-CB 3.33Å; D352-T354 PolarHBondContact OD1-N 2.81Å; D352-T354 VanDerWaalsContact OD1-N 3.09Å; D352-T354 PolarHBondContact OD1-OG1 2.88Å; D352-R359 PolarHBondContact O-NH1 3.5Å; D352-R359 PolarHBondContact O-NH2 2.86Å
353	W	97.8	Very high	97.3	Very high	14 Å²	14	40.2 Å²	40.2	5%	0.053	20%	0.199	C	C	.	.			trans	-110.8	19.4	-176	-53.2	-33.5	0	0	0	112.4	C351 D355 Y356 I727 P729 L732 I760 Y763	C351-W353 HydrophobicContact CB-CH2 4.48Å; C351-W353 HydrophobicContact CB-CZ2 3.8Å; C351-W353 PolarHBondContact O-N 3.47Å; W353-D355 VanDerWaalsContact C-N 3.3Å; W353-D355 PolarHBondContact O-N 3.3Å; W353-Y356 HydrophobicContact CB-CD2 4.3Å; W353-Y356 AromaticContact CD1-CD2 3.68Å; W353-Y356 HydrophobicContact CG-CD2 4.16Å; W353-Y356 PolarHBondContact O-N 3.25Å; W353-I727 HydrophobicContact CH2-CG2 3.9Å; W353-I727 HydrophobicContact CZ2-CB 4.47Å; W353-I727 HydrophobicContact CZ2-CG2 4.07Å; W353-I727 WeakPolarHBondContact CZ2-O 3.48Å; W353-P729 HydrophobicContact CB-CG 4.02Å; W353-P729 HydrophobicContact CD2-CG 3.69Å; W353-P729 HydrophobicContact CE3-CB 4.25Å; W353-P729 HydrophobicContact CE3-CG 3.87Å; W353-P729 HydrophobicContact CG-CG 3.77Å; W353-L732 HydrophobicContact CH2-CB 3.93Å; W353-L732 HydrophobicContact CH2-CD2 3.94Å; W353-L732 HydrophobicContact CZ3-CB 4.03Å; W353-L732 HydrophobicContact CZ3-CD2 3.61Å; W353-L732 HydrophobicContact CZ3-CG 4.47Å; W353-I760 HydrophobicContact CH2-CD1 3.54Å; W353-I760 HydrophobicContact CZ2-CD1 4Å; W353-I760 HydrophobicContact CZ3-CD1 4.32Å; W353-Y763 VanDerWaalsContact CA-OH 3.3Å; W353-Y763 WeakPolarHBondContact CA-OH 3.48Å; W353-Y763 HydrophobicContact CB-CE1 4.2Å; W353-Y763 HydrophobicContact CB-CE2 3.99Å; W353-Y763 HydrophobicContact CD2-CD2 4.14Å; W353-Y763 HydrophobicContact CD2-CE2 4.03Å; W353-Y763 HydrophobicContact CE3-CD1 4.1Å; W353-Y763 AromaticContact CE3-CD2 3.39Å; W353-Y763 HydrophobicContact CE3-CD2 3.39Å; W353-Y763 HydrophobicContact CE3-CE1 4.34Å; W353-Y763 AromaticContact CE3-CE2 3.7Å; W353-Y763 HydrophobicContact CE3-CE2 3.7Å; W353-Y763 AromaticContact CE3-CG 3.65Å; W353-Y763 HydrophobicContact CE3-CG 3.65Å; W353-Y763 HydrophobicContact CG-CE2 4.19Å; W353-Y763 AromaticContact CZ3-CD2 3.8Å; W353-Y763 HydrophobicContact CZ3-CD2 3.8Å; W353-Y763 AromaticContact CZ3-CG 3.95Å; W353-Y763 HydrophobicContact CZ3-CG 3.95Å; W353-Y763 PolarHBondContact N-OH 2.75Å
354	T	96.3	Very high	97.3	Very high	115 Å²	115	41.2 Å²	41.2	71%	0.706	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-42.3	-172.9	-54.1	0	0	0	0	113	D352 Y763	D352-T354 WeakPolarHBondContact OD1-CB 3.33Å; D352-T354 PolarHBondContact OD1-N 2.81Å; D352-T354 VanDerWaalsContact OD1-N 3.09Å; D352-T354 PolarHBondContact OD1-OG1 2.88Å; T354-Y763 PolarHBondContact N-OH 2.88Å; T354-Y763 VanDerWaalsContact N-OH 3.08Å
355	D	95.8	Very high	97.4	Very high	67 Å²	67	44.8 Å²	44.8	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	31.9	178.1	64.4	-34.9	0	0	0	112.3	W353 D357 E358 R359	W353-D355 VanDerWaalsContact C-N 3.3Å; W353-D355 PolarHBondContact O-N 3.3Å; D355-D357 PolarHBondContact O-N 3.12Å; D355-E358 PolarHBondContact O-N 2.87Å; D355-R359 WeakPolarHBondContact O-CB 3.24Å; D355-R359 PolarHBondContact O-N 2.69Å; D355-R359 IonicContact OD1-CZ 2.83Å; D355-R359 IonicContact OD1-NH1 2.65Å; D355-R359 PolarHBondContact OD1-NH1 3.13Å
356	Y	96.4	Very high	97.4	Very high	30 Å²	30	45.2 Å²	45.2	12%	0.118	23%	0.233	C	C	.	.	H	α-helix	trans	-50.8	-53.9	-167.8	-173.2	-90.5	0	0	0	114.1	W353 R359 M360 P729	W353-Y356 HydrophobicContact CB-CD2 4.3Å; W353-Y356 AromaticContact CD1-CD2 3.68Å; W353-Y356 HydrophobicContact CG-CD2 4.16Å; W353-Y356 PolarHBondContact O-N 3.25Å; Y356-R359 PolarHBondContact O-N 3.01Å; Y356-M360 HydrophobicContact CD1-CG 4.17Å; Y356-M360 HydrophobicContact CD2-CE 4Å; Y356-M360 HydrophobicContact CE1-CG 3.87Å; Y356-M360 HydrophobicContact CE2-CE 3.54Å; Y356-M360 HydrophobicContact CE2-CG 4.47Å; Y356-M360 VanDerWaalsContact O-CG 3.3Å; Y356-M360 WeakPolarHBondContact O-CG 3.32Å; Y356-M360 PolarHBondContact O-N 3.04Å; Y356-P729 HydrophobicContact CD1-CG 4.1Å; Y356-P729 HydrophobicContact CD2-CG 4.12Å; Y356-P729 HydrophobicContact CE1-CG 4.37Å; Y356-P729 HydrophobicContact CE2-CG 4.37Å; Y356-P729 HydrophobicContact CG-CG 3.98Å
357	D	96.3	Very high	97.4	Very high	116 Å²	116	45.2 Å²	45.2	62%	0.62	23%	0.233	S	C	*	.	H	α-helix	trans	-66.7	-42.9	-174.5	-67.5	-34.8	0	0	0	112.9	D355 R359 K361	D355-D357 PolarHBondContact O-N 3.12Å; D357-R359 VanDerWaalsContact C-N 3.34Å; D357-K361 VanDerWaalsContact O-CG 3.32Å; D357-K361 WeakPolarHBondContact O-CG 3.48Å; D357-K361 PolarHBondContact O-N 3.37Å; D357-K361 VanDerWaalsContact O-N 3.08Å
358	E	97.5	Very high	97.3	Very high	145 Å²	145	46.4 Å²	46.4	68%	0.678	24%	0.244	S	C	*	.	H	α-helix	trans	-64.3	-43.3	176.7	-175.3	176.9	173.4	0	0	110.5	D355 M360 K361 K362	D355-E358 PolarHBondContact O-N 2.87Å; E358-M360 PolarHBondContact O-N 3.46Å; E358-K361 PolarHBondContact O-N 2.8Å; E358-K362 PolarHBondContact O-N 2.68Å
359	R	97	Very high	97.3	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.011	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-43.2	178.8	-174.4	174.7	70.2	-125.2	8.8	112.7	Y340 A344 D352 D355 Y356 D357 K362 L363	Y340-R359 HydrophobicContact CE1-CG 4.36Å; Y340-R359 WeakPolarHBondContact OH-CA 3.45Å; Y340-R359 WeakPolarHBondContact OH-CG 3.38Å; A344-R359 HydrophobicContact CB-CG 3.95Å; D352-R359 PolarHBondContact O-NH1 3.5Å; D352-R359 PolarHBondContact O-NH2 2.86Å; D355-R359 WeakPolarHBondContact O-CB 3.24Å; D355-R359 PolarHBondContact O-N 2.69Å; D355-R359 IonicContact OD1-CZ 2.83Å; D355-R359 IonicContact OD1-NH1 2.65Å; D355-R359 PolarHBondContact OD1-NH1 3.13Å; Y356-R359 PolarHBondContact O-N 3.01Å; D357-R359 VanDerWaalsContact C-N 3.34Å; R359-K362 PolarHBondContact O-N 3.05Å; R359-L363 WeakPolarHBondContact O-CB 3.3Å; R359-L363 PolarHBondContact O-N 3.23Å
360	M	97.6	Very high	97.3	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-41.6	176.4	-67.5	-53.4	155.8	0	0	111.8	Y356 E358 K362 L363 V364 Y387 P388	Y356-M360 HydrophobicContact CD1-CG 4.17Å; Y356-M360 HydrophobicContact CD2-CE 4Å; Y356-M360 HydrophobicContact CE1-CG 3.87Å; Y356-M360 HydrophobicContact CE2-CE 3.54Å; Y356-M360 HydrophobicContact CE2-CG 4.47Å; Y356-M360 VanDerWaalsContact O-CG 3.3Å; Y356-M360 WeakPolarHBondContact O-CG 3.32Å; Y356-M360 PolarHBondContact O-N 3.04Å; E358-M360 PolarHBondContact O-N 3.46Å; M360-K362 PolarHBondContact O-N 3.25Å; M360-L363 PolarHBondContact O-N 3.09Å; M360-V364 WeakPolarHBondContact O-CG2 3.43Å; M360-V364 PolarHBondContact O-N 3.35Å; M360-Y387 HydrophobicContact CE-CD1 4.2Å; M360-Y387 HydrophobicContact CE-CE1 4.37Å; M360-Y387 HydrophobicContact SD-CD1 3.74Å; M360-Y387 HydrophobicContact SD-CE1 4.4Å; M360-P388 HydrophobicContact CB-CG 3.93Å; M360-P388 HydrophobicContact CG-CG 4.45Å
361	K	97.8	Very high	97.1	Very high	156 Å²	156	49.6 Å²	49.6	68%	0.678	26%	0.26	S	S	*	.	H	α-helix	trans	-60.1	-45.6	174.9	-73.7	172.2	-175.9	174.1	0	112	D357 E358 V364 S365	D357-K361 VanDerWaalsContact O-CG 3.32Å; D357-K361 WeakPolarHBondContact O-CG 3.48Å; D357-K361 PolarHBondContact O-N 3.37Å; D357-K361 VanDerWaalsContact O-N 3.08Å; E358-K361 PolarHBondContact O-N 2.8Å; K361-V364 PolarHBondContact O-N 3.16Å; K361-S365 PolarHBondContact O-N 3.02Å
362	K	97.6	Very high	97	Very high	97 Å²	97	57.6 Å²	57.6	42%	0.422	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-41.3	177.8	-178.7	165	171.4	-177.8	0	111.9	Y340 E358 R359 M360 V364 S365 I366	Y340-K362 HydrophobicContact CD1-CG 4.49Å; Y340-K362 HydrophobicContact CE1-CB 4.06Å; Y340-K362 HydrophobicContact CE1-CD 4.04Å; Y340-K362 HydrophobicContact CE1-CG 3.77Å; Y340-K362 HydrophobicContact CE2-CD 3.83Å; Y340-K362 HydrophobicContact CE2-CG 4.48Å; E358-K362 PolarHBondContact O-N 2.68Å; R359-K362 PolarHBondContact O-N 3.05Å; M360-K362 PolarHBondContact O-N 3.25Å; K362-V364 PolarHBondContact O-N 3.43Å; K362-S365 PolarHBondContact O-N 3.05Å; K362-I366 HydrophobicContact CG-CD1 4.04Å; K362-I366 WeakPolarHBondContact O-CG1 3.31Å; K362-I366 PolarHBondContact O-N 2.83Å
363	L	97.5	Very high	96.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-46	174.9	-177.7	155.8	0	0	0	111.6	A344 R359 M360 S365 I366 V367 V379 Y387 L389	A344-L363 HydrophobicContact CB-CD1 4.1Å; R359-L363 WeakPolarHBondContact O-CB 3.3Å; R359-L363 PolarHBondContact O-N 3.23Å; M360-L363 PolarHBondContact O-N 3.09Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.28Å; L363-I366 PolarHBondContact O-N 3.05Å; L363-V367 HydrophobicContact CD2-CG2 4.34Å; L363-V367 WeakPolarHBondContact O-CG2 3.46Å; L363-V367 PolarHBondContact O-N 3.26Å; L363-V367 VanDerWaalsContact O-N 3.08Å; L363-V379 HydrophobicContact CD1-CG2 4.29Å; L363-V379 HydrophobicContact CD2-CG2 3.83Å; L363-V379 HydrophobicContact CG-CG2 4.03Å; L363-Y387 HydrophobicContact CD1-CD1 4.17Å; L363-Y387 HydrophobicContact CD1-CD2 4.01Å; L363-Y387 HydrophobicContact CD1-CE1 4.14Å; L363-Y387 HydrophobicContact CD1-CE2 3.99Å; L363-Y387 HydrophobicContact CD1-CG 4.12Å; L363-Y387 HydrophobicContact CD2-CD2 3.92Å; L363-Y387 HydrophobicContact CD2-CG 4.01Å; L363-L389 HydrophobicContact CD2-CD2 4.47Å
364	V	98.1	Very high	96.2	Very high	36 Å²	36	66.3 Å²	66.3	22%	0.218	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-42.4	176.6	174.3	0	0	0	0	111.1	M360 K361 K362 V367 A368 P388 L389 F393	M360-V364 WeakPolarHBondContact O-CG2 3.43Å; M360-V364 PolarHBondContact O-N 3.35Å; K361-V364 PolarHBondContact O-N 3.16Å; K362-V364 PolarHBondContact O-N 3.43Å; V364-V367 PolarHBondContact O-N 3.36Å; V364-A368 WeakPolarHBondContact O-CB 3.3Å; V364-A368 PolarHBondContact O-N 2.98Å; V364-P388 HydrophobicContact CG2-CG 4.29Å; V364-L389 HydrophobicContact CG2-CD2 4.01Å; V364-F393 HydrophobicContact CG1-CE2 4.28Å
365	S	97.9	Very high	95.8	Very high	77 Å²	77	68.2 Å²	68.2	54%	0.538	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-39.8	177	-173.2	0	0	0	0	112.9	K361 K362 L363 A368 D369	K361-S365 PolarHBondContact O-N 3.02Å; K362-S365 PolarHBondContact O-N 3.05Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.28Å; S365-A368 PolarHBondContact O-N 3.3Å; S365-D369 WeakPolarHBondContact O-CB 3.28Å; S365-D369 PolarHBondContact O-N 3.41Å
366	I	97.6	Very high	95.5	Very high	24 Å²	24	69 Å²	69	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-47.6	176	-73.7	165.8	0	0	0	110.3	P337 Y340 K362 L363 A368 D369 Q370	P337-I366 HydrophobicContact CB-CG2 3.72Å; P337-I366 HydrophobicContact CG-CG2 4.34Å; Y340-I366 HydrophobicContact CD1-CD1 3.46Å; Y340-I366 VanDerWaalsContact CD1-CD1 3.46Å; Y340-I366 HydrophobicContact CE1-CD1 4.07Å; Y340-I366 HydrophobicContact CG-CD1 4.01Å; K362-I366 HydrophobicContact CG-CD1 4.04Å; K362-I366 WeakPolarHBondContact O-CG1 3.31Å; K362-I366 PolarHBondContact O-N 2.83Å; L363-I366 PolarHBondContact O-N 3.05Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 3.41Å; I366-D369 PolarHBondContact O-N 3.27Å; I366-Q370 HydrophobicContact CG2-CG 4.44Å; I366-Q370 WeakPolarHBondContact O-CB 3.41Å; I366-Q370 VanDerWaalsContact O-CG 3.27Å; I366-Q370 WeakPolarHBondContact O-CG 3.25Å; I366-Q370 PolarHBondContact O-N 3.1Å
367	V	97.4	Very high	95.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-44	178.6	170.1	0	0	0	0	111.1	L363 V364 Q370 L371 V379 L389 F393 I397	L363-V367 HydrophobicContact CD2-CG2 4.34Å; L363-V367 WeakPolarHBondContact O-CG2 3.46Å; L363-V367 PolarHBondContact O-N 3.26Å; L363-V367 VanDerWaalsContact O-N 3.08Å; V364-V367 PolarHBondContact O-N 3.36Å; V367-Q370 PolarHBondContact O-N 3.46Å; V367-L371 HydrophobicContact CG1-CD1 3.79Å; V367-L371 HydrophobicContact CG1-CG 4.31Å; V367-L371 WeakPolarHBondContact O-CB 3.01Å; V367-L371 WeakPolarHBondContact O-CG 3.45Å; V367-L371 PolarHBondContact O-N 3.13Å; V367-V379 HydrophobicContact CG2-CB 4.05Å; V367-V379 HydrophobicContact CG2-CG2 3.52Å; V367-L389 HydrophobicContact CB-CD2 4.24Å; V367-L389 HydrophobicContact CG1-CD2 4.13Å; V367-L389 HydrophobicContact CG2-CD2 4.31Å; V367-F393 HydrophobicContact CG1-CB 4.46Å; V367-F393 HydrophobicContact CG1-CG 4.44Å; V367-I397 HydrophobicContact CG1-CD1 3.91Å; V367-I397 HydrophobicContact CG1-CG1 4.15Å
368	A	97.4	Very high	95.3	Very high	32 Å²	32	62.9 Å²	62.9	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-49.5	178.2	0	0	0	0	0	111.6	V364 S365 I366 Q370 L371 E372 F393	V364-A368 WeakPolarHBondContact O-CB 3.3Å; V364-A368 PolarHBondContact O-N 2.98Å; S365-A368 PolarHBondContact O-N 3.3Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 3.41Å; A368-Q370 PolarHBondContact O-N 2.84Å; A368-L371 PolarHBondContact O-N 3.15Å; A368-E372 WeakPolarHBondContact O-CB 3.18Å; A368-E372 PolarHBondContact O-N 3.31Å; A368-F393 HydrophobicContact CB-CE2 4.19Å; A368-F393 HydrophobicContact CB-CZ 3.82Å
369	D	97.2	Very high	95.3	Very high	62 Å²	62	56.1 Å²	56.1	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-42.8	178	-178.2	81.6	0	0	0	112.4	S365 I366 E372 K373	S365-D369 WeakPolarHBondContact O-CB 3.28Å; S365-D369 PolarHBondContact O-N 3.41Å; I366-D369 PolarHBondContact O-N 3.27Å; D369-E372 PolarHBondContact O-N 3.24Å; D369-K373 WeakPolarHBondContact O-CB 3.2Å; D369-K373 WeakPolarHBondContact O-CG 3.4Å; D369-K373 PolarHBondContact O-N 2.98Å; D369-K373 WeakPolarHBondContact OD1-CE 3.27Å; D369-K373 IonicContact OD1-NZ 2.72Å; D369-K373 PolarHBondContact OD1-NZ 3.18Å; D369-K373 WeakPolarHBondContact OD2-CD 3.25Å; D369-K373 WeakPolarHBondContact OD2-CE 3.28Å; D369-K373 IonicContact OD2-NZ 3.25Å; D369-K373 PolarHBondContact OD2-NZ 3.45Å
370	Q	96.2	Very high	95.1	Very high	13 Å²	13	59.3 Å²	59.3	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-43.7	179	-73.6	176.1	-36.4	0	0	112.2	I366 V367 A368 K373 N374 R375 S378	I366-Q370 HydrophobicContact CG2-CG 4.44Å; I366-Q370 WeakPolarHBondContact O-CB 3.41Å; I366-Q370 VanDerWaalsContact O-CG 3.27Å; I366-Q370 WeakPolarHBondContact O-CG 3.25Å; I366-Q370 PolarHBondContact O-N 3.1Å; V367-Q370 PolarHBondContact O-N 3.46Å; A368-Q370 PolarHBondContact O-N 2.84Å; Q370-K373 CarbonylContact O-C 3.57Å; Q370-K373 PolarHBondContact O-N 2.76Å; Q370-N374 PolarHBondContact O-N 3.34Å; Q370-R375 HydrophobicContact CB-CB 4.36Å; Q370-R375 PolarHBondContact O-N 2.88Å; Q370-S378 PolarHBondContact NE2-OG 3.39Å
371	L	94.3	Very high	95.1	Very high	24 Å²	24	59 Å²	59	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-41.8	178	-72.1	175.3	0	0	0	111.6	V367 A368 K373 N374 P377 F393 A396 R400	V367-L371 HydrophobicContact CG1-CD1 3.79Å; V367-L371 HydrophobicContact CG1-CG 4.31Å; V367-L371 WeakPolarHBondContact O-CB 3.01Å; V367-L371 WeakPolarHBondContact O-CG 3.45Å; V367-L371 PolarHBondContact O-N 3.13Å; A368-L371 PolarHBondContact O-N 3.15Å; L371-K373 VanDerWaalsContact C-N 3.33Å; L371-K373 PolarHBondContact O-N 3.23Å; L371-N374 PolarHBondContact O-N 2.88Å; L371-N374 VanDerWaalsContact O-N 3.16Å; L371-P377 HydrophobicContact CD2-CG 3.54Å; L371-P377 HydrophobicContact CG-CG 4.08Å; L371-F393 HydrophobicContact CD1-CB 4.43Å; L371-F393 HydrophobicContact CD1-CD1 3.62Å; L371-F393 HydrophobicContact CD1-CE1 4.16Å; L371-F393 HydrophobicContact CD1-CG 4.21Å; L371-A396 HydrophobicContact CD1-CB 3.94Å; L371-A396 HydrophobicContact CD2-CB 3.95Å; L371-R400 HydrophobicContact CD2-CG 4.16Å
372	E	95.4	Very high	94.9	Very high	167 Å²	167	54 Å²	54	78%	0.78	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-40.8	175.7	-174.1	176.7	-174.6	0	0	111.6	A368 D369 N374	A368-E372 WeakPolarHBondContact O-CB 3.18Å; A368-E372 PolarHBondContact O-N 3.31Å; D369-E372 PolarHBondContact O-N 3.24Å; E372-N374 PolarHBondContact O-N 2.86Å
373	K	91.6	Very high	94.8	Very high	110 Å²	110	50.6 Å²	50.6	48%	0.478	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	10.7	177.1	-68.1	174.3	-176.7	158.8	0	114.3	D369 Q370 L371 R375	D369-K373 WeakPolarHBondContact O-CB 3.2Å; D369-K373 WeakPolarHBondContact O-CG 3.4Å; D369-K373 PolarHBondContact O-N 2.98Å; D369-K373 WeakPolarHBondContact OD1-CE 3.27Å; D369-K373 IonicContact OD1-NZ 2.72Å; D369-K373 PolarHBondContact OD1-NZ 3.18Å; D369-K373 WeakPolarHBondContact OD2-CD 3.25Å; D369-K373 WeakPolarHBondContact OD2-CE 3.28Å; D369-K373 IonicContact OD2-NZ 3.25Å; D369-K373 PolarHBondContact OD2-NZ 3.45Å; Q370-K373 CarbonylContact O-C 3.57Å; Q370-K373 PolarHBondContact O-N 2.76Å; L371-K373 VanDerWaalsContact C-N 3.33Å; L371-K373 PolarHBondContact O-N 3.23Å; K373-R375 HydrophobicContact CB-CG 4.15Å; K373-R375 PolarHBondContact O-N 3.17Å
374	N	87.4	Confident	94.8	Very high	112 Å²	112	51 Å²	51	60%	0.599	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	30.6	179.6	-163.3	61.3	0	0	0	113.5	Q370 L371 E372 R400	Q370-N374 PolarHBondContact O-N 3.34Å; L371-N374 PolarHBondContact O-N 2.88Å; L371-N374 VanDerWaalsContact O-N 3.16Å; E372-N374 PolarHBondContact O-N 2.86Å; N374-R400 PolarHBondContact OD1-NH1 3.21Å; N374-R400 PolarHBondContact OD1-NH2 3.49Å
375	R	88	Confident	94.6	Very high	154 Å²	154	50 Å²	50	58%	0.581	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-95.2	155.6	178.3	-64.9	-177.6	178.8	-178.4	-2	111	Q370 K373 P377	Q370-R375 HydrophobicContact CB-CB 4.36Å; Q370-R375 PolarHBondContact O-N 2.88Å; K373-R375 HydrophobicContact CB-CG 4.15Å; K373-R375 PolarHBondContact O-N 3.17Å; R375-P377 VanDerWaalsContact O-CD 3.32Å; R375-P377 WeakPolarHBondContact O-CD 3.28Å
376	L	89.7	Confident	94.6	Very high	85 Å²	85	46.5 Å²	46.5	45%	0.445	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-64.1	123.9	170	-176.8	66	0	0	0	109	R400 L404	L376-R400 HydrophobicContact CD1-CB 3.92Å; L376-L404 HydrophobicContact CD2-CD2 4.36Å
377	P	94.9	Very high	94.6	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.032	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-66.6	140.7	179.3	-25.6	37.5	0	0	0	112.5	L371 R375 V379 I397 R400	L371-P377 HydrophobicContact CD2-CG 3.54Å; L371-P377 HydrophobicContact CG-CG 4.08Å; R375-P377 VanDerWaalsContact O-CD 3.32Å; R375-P377 WeakPolarHBondContact O-CD 3.28Å; P377-V379 PolarHBondContact O-N 2.86Å; P377-I397 HydrophobicContact CB-CG1 3.95Å; P377-I397 HydrophobicContact CG-CG1 3.98Å; P377-R400 HydrophobicContact CG-CG 4.4Å
378	S	94	Very high	94.5	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.084	25%	0.247	C	C	.	.	S	Bend	trans	-69.4	-17.1	176.4	-67.3	0	0	0	0	113.6	P337 D338 Q370	P337-S378 WeakPolarHBondContact CB-OG 3.46Å; D338-S378 WeakPolarHBondContact CA-OG 3.47Å; D338-S378 PolarHBondContact N-OG 3.44Å; D338-S378 WeakPolarHBondContact OD1-CA 3.37Å; D338-S378 WeakPolarHBondContact OD1-CB 3.36Å; D338-S378 PolarHBondContact OD1-OG 3.14Å; Q370-S378 PolarHBondContact NE2-OG 3.39Å
379	V	96.1	Very high	94.5	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.237	C	C	.	.	S	Bend	trans	-84	118.6	174.1	173.3	0	0	0	0	109.1	C341 L363 V367 P377 Y387 L389 I397	C341-V379 HydrophobicContact CB-CG2 4.21Å; L363-V379 HydrophobicContact CD1-CG2 4.29Å; L363-V379 HydrophobicContact CD2-CG2 3.83Å; L363-V379 HydrophobicContact CG-CG2 4.03Å; V367-V379 HydrophobicContact CG2-CB 4.05Å; V367-V379 HydrophobicContact CG2-CG2 3.52Å; P377-V379 PolarHBondContact O-N 2.86Å; V379-Y387 HydrophobicContact CG1-CD2 3.9Å; V379-Y387 HydrophobicContact CG1-CE2 3.85Å; V379-Y387 HydrophobicContact CG2-CE2 4.45Å; V379-L389 HydrophobicContact CG1-CD1 4.5Å; V379-I397 HydrophobicContact CB-CD1 4.31Å; V379-I397 HydrophobicContact CG1-CD1 4.22Å; V379-I397 WeakPolarHBondContact O-CG2 3.48Å
380	H	94.4	Very high	94.6	Very high	70 Å²	70	48.5 Å²	48.5	32%	0.324	24%	0.242	S	C	.	.			trans	-66.3	142.3	173.8	-169.7	-102.7	0	0	0	111.4	H382 H383 S384 Y516	H380-H382 VanDerWaalsContact C-N 3.3Å; H380-H382 PolarHBondContact ND1-N 2.91Å; H380-H382 PolarHBondContact O-N 3.42Å; H380-H383 PolarHBondContact O-N 2.89Å; H380-S384 PolarHBondContact O-N 3.41Å; H380-Y516 PolarHBondContact CE1-O 2.87Å
381	P	96.8	Very high	94.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-54.3	-43.7	-175.7	-27.3	34.3	0	0	0	113.2	H383 S384 I397 A398 H401 Y516 Y539	P381-H383 PolarHBondContact O-N 3.23Å; P381-S384 WeakPolarHBondContact O-CB 3.47Å; P381-S384 PolarHBondContact O-N 3.07Å; P381-S384 VanDerWaalsContact O-N 3.12Å; P381-S384 PolarHBondContact O-OG 3.04Å; P381-I397 HydrophobicContact CB-CG2 4.41Å; P381-I397 HydrophobicContact CG-CG2 4.05Å; P381-A398 HydrophobicContact CB-CB 4.46Å; P381-H401 HydrophobicContact CG-CB 3.91Å; P381-H401 VanDerWaalsContact CG-CG 3.49Å; P381-Y516 HydrophobicContact CB-CD2 3.43Å; P381-Y516 VanDerWaalsContact CB-CD2 3.43Å; P381-Y516 HydrophobicContact CB-CE2 4.05Å; P381-Y516 HydrophobicContact CB-CG 3.88Å; P381-Y516 HydrophobicContact CG-CD1 4.31Å; P381-Y516 HydrophobicContact CG-CD2 3.68Å; P381-Y516 HydrophobicContact CG-CE2 4.08Å; P381-Y516 HydrophobicContact CG-CG 3.8Å; P381-Y539 VanDerWaalsContact CB-OH 3.3Å; P381-Y539 WeakPolarHBondContact CB-OH 3.41Å; P381-Y539 PolarHBondContact O-OH 3.46Å
382	H	93.5	Very high	94.8	Very high	49 Å²	49	51.1 Å²	51.1	23%	0.227	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-59.6	-28.7	178.1	-175.6	-112.3	0	0	0	113.4	H380 M385 Y539	H380-H382 VanDerWaalsContact C-N 3.3Å; H380-H382 PolarHBondContact ND1-N 2.91Å; H380-H382 PolarHBondContact O-N 3.42Å; H382-M385 WeakPolarHBondContact O-CE 3.42Å; H382-Y539 HydrophobicContact CB-CE2 4.02Å; H382-Y539 AromaticContact CD2-CE2 3.96Å; H382-Y539 PolarHBondContact N-OH 2.83Å
383	H	95.5	Very high	94.9	Very high	26 Å²	26	46 Å²	46	12%	0.12	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-88	-20.5	-179.2	-54.6	162.1	0	0	0	112.4	H345 H380 P381 M385 L386 Y387	H345-H383 AromaticContact CD2-CE1 3.75Å; H345-H383 AromaticContact CD2-ND1 3.98Å; H345-H383 AromaticContact CE1-CD2 3.48Å; H345-H383 PolarHBondContact CE1-CD2 3.47Å; H345-H383 VanDerWaalsContact CE1-CD2 3.48Å; H345-H383 AromaticContact CE1-CE1 3.84Å; H345-H383 AromaticContact CE1-CG 3.62Å; H345-H383 AromaticContact CE1-ND1 3.83Å; H345-H383 AromaticContact CE1-NE2 3.68Å; H345-H383 AromaticContact CG-ND1 3.79Å; H345-H383 AromaticContact ND1-CD2 3.98Å; H345-H383 AromaticContact ND1-CG 3.63Å; H345-H383 AromaticContact ND1-ND1 3.69Å; H345-H383 AromaticContact NE2-CD2 3.86Å; H345-H383 AromaticContact NE2-CE1 3.62Å; H345-H383 AromaticContact NE2-NE2 3.55Å; H380-H383 PolarHBondContact O-N 2.89Å; P381-H383 PolarHBondContact O-N 3.23Å; H383-M385 PolarHBondContact O-N 3.18Å; H383-M385 VanDerWaalsContact O-N 3.08Å; H383-L386 WeakPolarHBondContact O-CB 3.44Å; H383-L386 PolarHBondContact O-N 3.29Å; H383-Y387 HydrophobicContact CB-CE2 3.76Å; H383-Y387 WeakPolarHBondContact O-CD2 3.45Å; H383-Y387 VanDerWaalsContact O-CE2 3.31Å; H383-Y387 WeakPolarHBondContact O-CE2 3.4Å
384	S	97	Very high	95.3	Very high	8 Å²	8	42.5 Å²	42.5	6%	0.056	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25.3	-174.9	74.2	0	0	0	0	113.8	H380 P381 L386 Y387 R394	H380-S384 PolarHBondContact O-N 3.41Å; P381-S384 WeakPolarHBondContact O-CB 3.47Å; P381-S384 PolarHBondContact O-N 3.07Å; P381-S384 VanDerWaalsContact O-N 3.12Å; P381-S384 PolarHBondContact O-OG 3.04Å; S384-L386 PolarHBondContact O-N 2.87Å; S384-Y387 PolarHBondContact O-N 2.63Å; S384-R394 PolarHBondContact O-NE 3.3Å
385	M	95.3	Very high	95.8	Very high	17 Å²	17	39.5 Å²	39.5	8%	0.084	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-67.1	-21.5	175.2	66.8	-175.6	178.1	0	0	113.7	H382 H383 P540 A826	H382-M385 WeakPolarHBondContact O-CE 3.42Å; H383-M385 PolarHBondContact O-N 3.18Å; H383-M385 VanDerWaalsContact O-N 3.08Å; M385-P540 HydrophobicContact CE-CG 4.37Å; M385-P540 HydrophobicContact SD-CG 4.01Å; M385-A826 HydrophobicContact CB-CB 4.23Å; M385-A826 HydrophobicContact CG-CB 4.33Å; M385-A826 HydrophobicContact SD-CB 3.37Å; M385-A826 WeakPolarHBondContact SD-CB 3.3Å
386	L	96.8	Very high	96.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-87.1	-7.8	-178	-56.4	176.3	0	0	0	113.3	H383 S384 Y725 L800 C801	H383-L386 WeakPolarHBondContact O-CB 3.44Å; H383-L386 PolarHBondContact O-N 3.29Å; S384-L386 PolarHBondContact O-N 2.87Å; L386-Y725 HydrophobicContact CD1-CD2 3.68Å; L386-Y725 HydrophobicContact CD1-CE2 4.05Å; L386-Y725 HydrophobicContact CD2-CD2 4Å; L386-Y725 HydrophobicContact CD2-CE2 4.04Å; L386-L800 HydrophobicContact CB-CD2 4.5Å; L386-L800 HydrophobicContact CD2-CD2 4.12Å; L386-L800 HydrophobicContact CD2-CG 4.32Å; L386-C801 HydrophobicContact CD2-CB 3.99Å
387	Y	97.1	Very high	96.7	Very high	7 Å²	7	29 Å²	29	3%	0.027	17%	0.166	C	C	.	.	S	Bend	trans	-114.6	153	-171.6	-51.9	-44	0	0	0	110.8	H345 M360 L363 V379 H383 S384 L389 R394	H345-Y387 WeakPolarHBondContact CB-OH 3.43Å; H345-Y387 PolarHBondContact ND1-OH 3.09Å; H345-Y387 VanDerWaalsContact ND1-OH 3.15Å; M360-Y387 HydrophobicContact CE-CD1 4.2Å; M360-Y387 HydrophobicContact CE-CE1 4.37Å; M360-Y387 HydrophobicContact SD-CD1 3.74Å; M360-Y387 HydrophobicContact SD-CE1 4.4Å; L363-Y387 HydrophobicContact CD1-CD1 4.17Å; L363-Y387 HydrophobicContact CD1-CD2 4.01Å; L363-Y387 HydrophobicContact CD1-CE1 4.14Å; L363-Y387 HydrophobicContact CD1-CE2 3.99Å; L363-Y387 HydrophobicContact CD1-CG 4.12Å; L363-Y387 HydrophobicContact CD2-CD2 3.92Å; L363-Y387 HydrophobicContact CD2-CG 4.01Å; V379-Y387 HydrophobicContact CG1-CD2 3.9Å; V379-Y387 HydrophobicContact CG1-CE2 3.85Å; V379-Y387 HydrophobicContact CG2-CE2 4.45Å; H383-Y387 HydrophobicContact CB-CE2 3.76Å; H383-Y387 WeakPolarHBondContact O-CD2 3.45Å; H383-Y387 VanDerWaalsContact O-CE2 3.31Å; H383-Y387 WeakPolarHBondContact O-CE2 3.4Å; S384-Y387 PolarHBondContact O-N 2.63Å; Y387-L389 HydrophobicContact CD2-CD1 4.41Å; Y387-L389 PolarHBondContact O-N 3.29Å; Y387-R394 PolarHBondContact O-NH2 3.03Å
388	P	96.8	Very high	96.8	Very high	82 Å²	82	28.9 Å²	28.9	53%	0.532	17%	0.165	S	C	.	.			trans	-76.7	53.6	179.4	33.8	-36.9	0	0	0	111.8	M360 V364	M360-P388 HydrophobicContact CB-CG 3.93Å; M360-P388 HydrophobicContact CG-CG 4.45Å; V364-P388 HydrophobicContact CG2-CG 4.29Å
389	L	97.4	Very high	97	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.047	18%	0.177	C	C	.	.			trans	-83.4	154.4	173.8	-66	165.8	0	0	0	110.1	L363 V364 V367 V379 Y387 F393 R394 I397	L363-L389 HydrophobicContact CD2-CD2 4.47Å; V364-L389 HydrophobicContact CG2-CD2 4.01Å; V367-L389 HydrophobicContact CB-CD2 4.24Å; V367-L389 HydrophobicContact CG1-CD2 4.13Å; V367-L389 HydrophobicContact CG2-CD2 4.31Å; V379-L389 HydrophobicContact CG1-CD1 4.5Å; Y387-L389 HydrophobicContact CD2-CD1 4.41Å; Y387-L389 PolarHBondContact O-N 3.29Å; L389-F393 HydrophobicContact CB-CB 4.26Å; L389-F393 HydrophobicContact CD2-CB 4.28Å; L389-F393 HydrophobicContact CD2-CD2 4.01Å; L389-R394 HydrophobicContact CB-CG 4.05Å; L389-R394 PolarHBondContact O-NH1 3.35Å; L389-R394 PolarHBondContact O-NH2 2.87Å; L389-I397 HydrophobicContact CD1-CD1 3.81Å
390	S	97.6	Very high	96.9	Very high	62 Å²	62	34.9 Å²	34.9	43%	0.434	19%	0.189	S	C	.	.			trans	-71.3	158.9	167.3	68.2	0	0	0	0	110.5	G392 F393 R394	S390-G392 VanDerWaalsContact C-N 3.25Å; S390-G392 PolarHBondContact O-N 2.76Å; S390-F393 PolarHBondContact O-N 2.95Å; S390-F393 VanDerWaalsContact O-N 3.15Å; S390-F393 WeakPolarHBondContact OG-CG 3.36Å; S390-F393 PolarHBondContact OG-N 3.25Å; S390-F393 VanDerWaalsContact OG-N 3.14Å; S390-R394 PolarHBondContact O-N 3.16Å
391	H	97.8	Very high	96.9	Very high	43 Å²	43	32.7 Å²	32.7	20%	0.199	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-40.7	173.3	-63.9	-42.2	0	0	0	112.2	F393 R394 K395 Q565 E823	H391-F393 VanDerWaalsContact C-N 3.34Å; H391-F393 PolarHBondContact O-N 3.18Å; H391-R394 PolarHBondContact ND1-NH1 3.1Å; H391-R394 PolarHBondContact O-N 3.4Å; H391-K395 WeakPolarHBondContact O-CB 3.4Å; H391-K395 PolarHBondContact O-N 3.48Å; H391-Q565 HydrophobicContact CB-CB 3.76Å; H391-E823 IonicContact CD2-OE2 3.97Å; H391-E823 IonicContact CE1-OE2 3.86Å; H391-E823 IonicContact NE2-OE2 3.9Å; H391-E823 PolarHBondContact NE2-OE2 3.4Å
392	G	97.9	Very high	96.8	Very high	49 Å²	49	32.7 Å²	32.7	51%	0.505	18%	0.178	S	C	.	.	H	α-helix	trans	-57.5	-43.4	174.4	0	0	0	0	0	112.7	S390 A396	S390-G392 VanDerWaalsContact C-N 3.25Å; S390-G392 PolarHBondContact O-N 2.76Å; G392-A396 VanDerWaalsContact O-CB 3.26Å; G392-A396 WeakPolarHBondContact O-CB 3.35Å; G392-A396 PolarHBondContact O-N 3.42Å
393	F	98.1	Very high	96.7	Very high	60 Å²	60	33.3 Å²	33.3	26%	0.263	18%	0.183	S	C	.	.	H	α-helix	trans	-66.7	-42.3	175.8	-72.9	-15.8	0	0	0	112.8	V364 V367 A368 L371 L389 S390 H391 K395 A396 I397	V364-F393 HydrophobicContact CG1-CE2 4.28Å; V367-F393 HydrophobicContact CG1-CB 4.46Å; V367-F393 HydrophobicContact CG1-CG 4.44Å; A368-F393 HydrophobicContact CB-CE2 4.19Å; A368-F393 HydrophobicContact CB-CZ 3.82Å; L371-F393 HydrophobicContact CD1-CB 4.43Å; L371-F393 HydrophobicContact CD1-CD1 3.62Å; L371-F393 HydrophobicContact CD1-CE1 4.16Å; L371-F393 HydrophobicContact CD1-CG 4.21Å; L389-F393 HydrophobicContact CB-CB 4.26Å; L389-F393 HydrophobicContact CD2-CB 4.28Å; L389-F393 HydrophobicContact CD2-CD2 4.01Å; S390-F393 PolarHBondContact O-N 2.95Å; S390-F393 VanDerWaalsContact O-N 3.15Å; S390-F393 WeakPolarHBondContact OG-CG 3.36Å; S390-F393 PolarHBondContact OG-N 3.25Å; S390-F393 VanDerWaalsContact OG-N 3.14Å; H391-F393 VanDerWaalsContact C-N 3.34Å; H391-F393 PolarHBondContact O-N 3.18Å; F393-K395 VanDerWaalsContact C-N 3.33Å; F393-K395 PolarHBondContact O-N 3.45Å; F393-A396 PolarHBondContact O-N 3.06Å; F393-I397 WeakPolarHBondContact O-CB 3.47Å; F393-I397 WeakPolarHBondContact O-CD1 3.37Å; F393-I397 WeakPolarHBondContact O-CG1 3.26Å; F393-I397 PolarHBondContact O-N 2.87Å
394	R	98.4	Very high	96.4	Very high	36 Å²	36	35.2 Å²	35.2	14%	0.136	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-45.1	177.2	-65.3	-168.6	-171.4	86.2	7.2	111.5	S384 Y387 L389 S390 H391 I397 A398	S384-R394 PolarHBondContact O-NE 3.3Å; Y387-R394 PolarHBondContact O-NH2 3.03Å; L389-R394 HydrophobicContact CB-CG 4.05Å; L389-R394 PolarHBondContact O-NH1 3.35Å; L389-R394 PolarHBondContact O-NH2 2.87Å; S390-R394 PolarHBondContact O-N 3.16Å; H391-R394 PolarHBondContact ND1-NH1 3.1Å; H391-R394 PolarHBondContact O-N 3.4Å; R394-I397 PolarHBondContact O-N 3.48Å; R394-A398 PolarHBondContact O-N 3.1Å; R394-A398 VanDerWaalsContact O-N 3.16Å
395	K	98.5	Very high	96	Very high	49 Å²	49	35.3 Å²	35.3	21%	0.213	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-46.9	176	-178.4	174.4	169.5	171.7	0	111.8	H391 F393 I397 A398 E399 T542 E564 Y566	H391-K395 WeakPolarHBondContact O-CB 3.4Å; H391-K395 PolarHBondContact O-N 3.48Å; F393-K395 VanDerWaalsContact C-N 3.33Å; F393-K395 PolarHBondContact O-N 3.45Å; K395-I397 PolarHBondContact O-N 2.69Å; K395-A398 WeakPolarHBondContact O-CB 3.26Å; K395-A398 PolarHBondContact O-N 2.71Å; K395-A398 VanDerWaalsContact O-N 3.13Å; K395-E399 WeakPolarHBondContact CE-OE1 3.22Å; K395-E399 HydrophobicContact CG-CG 4.46Å; K395-E399 WeakPolarHBondContact CG-OE1 3.17Å; K395-E399 WeakPolarHBondContact O-CG 3.4Å; K395-E399 PolarHBondContact O-N 3.48Å; K395-T542 HydrophobicContact CB-CG2 4.41Å; K395-E564 WeakPolarHBondContact CD-O 3.44Å; K395-E564 PolarHBondContact NZ-O 3.33Å; K395-Y566 WeakPolarHBondContact CE-O 3.47Å; K395-Y566 PolarHBondContact NZ-O 2.95Å
396	A	98.1	Very high	95.6	Very high	20 Å²	20	37 Å²	37	17%	0.165	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-38	178.4	0	0	0	0	0	112.8	L371 G392 F393 A398 E399 R400	L371-A396 HydrophobicContact CD1-CB 3.94Å; L371-A396 HydrophobicContact CD2-CB 3.95Å; G392-A396 VanDerWaalsContact O-CB 3.26Å; G392-A396 WeakPolarHBondContact O-CB 3.35Å; G392-A396 PolarHBondContact O-N 3.42Å; F393-A396 PolarHBondContact O-N 3.06Å; A396-A398 VanDerWaalsContact C-N 3.32Å; A396-A398 PolarHBondContact O-N 3.34Å; A396-E399 PolarHBondContact O-N 3.16Å; A396-R400 VanDerWaalsContact O-CG 3.28Å; A396-R400 WeakPolarHBondContact O-CG 3.35Å; A396-R400 PolarHBondContact O-N 3.18Å
397	I	98.3	Very high	94.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59	-46.7	172.8	-70.5	161.7	0	0	0	110.4	V367 P377 V379 P381 L389 F393 R394 K395 R400 H401	V367-I397 HydrophobicContact CG1-CD1 3.91Å; V367-I397 HydrophobicContact CG1-CG1 4.15Å; P377-I397 HydrophobicContact CB-CG1 3.95Å; P377-I397 HydrophobicContact CG-CG1 3.98Å; V379-I397 HydrophobicContact CB-CD1 4.31Å; V379-I397 HydrophobicContact CG1-CD1 4.22Å; V379-I397 WeakPolarHBondContact O-CG2 3.48Å; P381-I397 HydrophobicContact CB-CG2 4.41Å; P381-I397 HydrophobicContact CG-CG2 4.05Å; L389-I397 HydrophobicContact CD1-CD1 3.81Å; F393-I397 WeakPolarHBondContact O-CB 3.47Å; F393-I397 WeakPolarHBondContact O-CD1 3.37Å; F393-I397 WeakPolarHBondContact O-CG1 3.26Å; F393-I397 PolarHBondContact O-N 2.87Å; R394-I397 PolarHBondContact O-N 3.48Å; K395-I397 PolarHBondContact O-N 2.69Å; I397-R400 PolarHBondContact O-N 3.27Å; I397-H401 PolarHBondContact O-N 3.48Å; I397-H401 PolarHBondContact O-ND1 2.96Å
398	A	98.2	Very high	93.9	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-43	178.5	0	0	0	0	0	111.6	P381 R394 K395 A396 R400 H401 G402 Y516 T542 S543	P381-A398 HydrophobicContact CB-CB 4.46Å; R394-A398 PolarHBondContact O-N 3.1Å; R394-A398 VanDerWaalsContact O-N 3.16Å; K395-A398 WeakPolarHBondContact O-CB 3.26Å; K395-A398 PolarHBondContact O-N 2.71Å; K395-A398 VanDerWaalsContact O-N 3.13Å; A396-A398 VanDerWaalsContact C-N 3.32Å; A396-A398 PolarHBondContact O-N 3.34Å; A398-R400 VanDerWaalsContact C-N 3.31Å; A398-R400 PolarHBondContact O-N 2.92Å; A398-H401 PolarHBondContact O-N 3.32Å; A398-H401 VanDerWaalsContact O-N 3.1Å; A398-G402 PolarHBondContact O-N 3.43Å; A398-Y516 HydrophobicContact CB-CE2 4.07Å; A398-Y516 PolarHBondContact O-OH 3.01Å; A398-Y516 VanDerWaalsContact O-OH 3.04Å; A398-T542 HydrophobicContact CB-CG2 4.17Å; A398-S543 CarbonylContact C-O 3.59Å; A398-S543 WeakPolarHBondContact CB-O 3.38Å
399	E	97.9	Very high	93.3	Very high	72 Å²	72	43.3 Å²	43.3	34%	0.336	23%	0.228	S	C	.	.	H	α-helix	trans	-54.8	-43.9	174.8	-77.4	167.6	-176.5	0	0	112.3	K395 A396 H401 G402 N403 G544	K395-E399 WeakPolarHBondContact CE-OE1 3.22Å; K395-E399 HydrophobicContact CG-CG 4.46Å; K395-E399 WeakPolarHBondContact CG-OE1 3.17Å; K395-E399 WeakPolarHBondContact O-CG 3.4Å; K395-E399 PolarHBondContact O-N 3.48Å; A396-E399 PolarHBondContact O-N 3.16Å; E399-H401 VanDerWaalsContact C-N 3.32Å; E399-H401 PolarHBondContact O-N 2.71Å; E399-G402 PolarHBondContact O-N 3.12Å; E399-N403 VanDerWaalsContact O-CG 3.27Å; E399-N403 PolarHBondContact O-N 3.14Å; E399-N403 PolarHBondContact O-ND2 2.76Å; E399-G544 VanDerWaalsContact CA-O 3.25Å; E399-G544 WeakPolarHBondContact CA-O 3.3Å; E399-G544 WeakPolarHBondContact CG-O 3.05Å
400	R	94.4	Very high	92.4	Very high	68 Å²	68	47.5 Å²	47.5	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-36.7	178.1	-65.4	-66.7	177.3	-177.2	2.9	112.9	L371 N374 L376 P377 A396 I397 A398 L404	L371-R400 HydrophobicContact CD2-CG 4.16Å; N374-R400 PolarHBondContact OD1-NH1 3.21Å; N374-R400 PolarHBondContact OD1-NH2 3.49Å; L376-R400 HydrophobicContact CD1-CB 3.92Å; P377-R400 HydrophobicContact CG-CG 4.4Å; A396-R400 VanDerWaalsContact O-CG 3.28Å; A396-R400 WeakPolarHBondContact O-CG 3.35Å; A396-R400 PolarHBondContact O-N 3.18Å; I397-R400 PolarHBondContact O-N 3.27Å; A398-R400 VanDerWaalsContact C-N 3.31Å; A398-R400 PolarHBondContact O-N 2.92Å; R400-L404 PolarHBondContact O-N 2.89Å; R400-L404 VanDerWaalsContact O-N 3.14Å
401	H	94.1	Very high	91.3	Very high	25 Å²	25	48.4 Å²	48.4	12%	0.116	25%	0.253	C	S	.	.	H	α-helix	trans	-73.5	-34.6	175.7	-72.4	73.1	0	0	0	111.9	P381 I397 A398 E399 L404 C405 Y516	P381-H401 HydrophobicContact CG-CB 3.91Å; P381-H401 VanDerWaalsContact CG-CG 3.49Å; I397-H401 PolarHBondContact O-N 3.48Å; I397-H401 PolarHBondContact O-ND1 2.96Å; A398-H401 PolarHBondContact O-N 3.32Å; A398-H401 VanDerWaalsContact O-N 3.1Å; E399-H401 VanDerWaalsContact C-N 3.32Å; E399-H401 PolarHBondContact O-N 2.71Å; H401-L404 WeakPolarHBondContact O-CB 3.31Å; H401-L404 PolarHBondContact O-N 3.44Å; H401-C405 PolarHBondContact O-N 3.16Å; H401-Y516 HydrophobicContact CB-CD1 4.1Å; H401-Y516 HydrophobicContact CB-CE1 3.52Å
402	G	95.1	Very high	90.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-43.2	171.7	0	0	0	0	0	112.2	A398 E399 L404 C405 L406 Y516	A398-G402 PolarHBondContact O-N 3.43Å; E399-G402 PolarHBondContact O-N 3.12Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 2.83Å; G402-C405 WeakPolarHBondContact O-CB 3.24Å; G402-C405 PolarHBondContact O-N 3.48Å; G402-C405 VanDerWaalsContact O-N 3.1Å; G402-L406 PolarHBondContact O-N 2.92Å; G402-Y516 WeakPolarHBondContact CA-OH 3.38Å; G402-Y516 PolarHBondContact N-OH 2.86Å; G402-Y516 VanDerWaalsContact N-OH 3.07Å
403	N	91.3	Very high	89.3	Confident	62 Å²	62	55 Å²	55	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-36.1	176.4	-69.4	-20.1	0	0	0	112.6	E399 C405 L406 D407	E399-N403 VanDerWaalsContact O-CG 3.27Å; E399-N403 PolarHBondContact O-N 3.14Å; E399-N403 PolarHBondContact O-ND2 2.76Å; N403-C405 PolarHBondContact O-N 2.87Å; N403-L406 WeakPolarHBondContact O-CA 3.17Å; N403-L406 WeakPolarHBondContact O-CB 3.47Å; N403-L406 PolarHBondContact O-N 3.08Å; N403-D407 PolarHBondContact O-N 3.05Å
404	L	88.2	Confident	88.6	Confident	67 Å²	67	55.7 Å²	55.7	35%	0.351	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-34.4	173.4	-177.3	65.1	0	0	0	112.2	L376 R400 H401 G402 K408	L376-L404 HydrophobicContact CD2-CD2 4.36Å; R400-L404 PolarHBondContact O-N 2.89Å; R400-L404 VanDerWaalsContact O-N 3.14Å; H401-L404 WeakPolarHBondContact O-CB 3.31Å; H401-L404 PolarHBondContact O-N 3.44Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 2.83Å; L404-K408 WeakPolarHBondContact O-CG 3.39Å; L404-K408 PolarHBondContact O-N 3.24Å
405	C	88.3	Confident	88.3	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-67.2	-38.2	172.9	-67.3	0	0	0	0	112.1	H401 G402 N403 K408 I409 E523 A526 F547	H401-C405 PolarHBondContact O-N 3.16Å; G402-C405 WeakPolarHBondContact O-CB 3.24Å; G402-C405 PolarHBondContact O-N 3.48Å; G402-C405 VanDerWaalsContact O-N 3.1Å; N403-C405 PolarHBondContact O-N 2.87Å; C405-K408 PolarHBondContact O-N 3.36Å; C405-I409 WeakPolarHBondContact O-CG1 3.41Å; C405-I409 WeakPolarHBondContact O-CG2 3.44Å; C405-I409 PolarHBondContact O-N 3.03Å; C405-E523 HydrophobicContact CB-CG 4.38Å; C405-A526 HydrophobicContact CB-CB 4.19Å; C405-F547 HydrophobicContact CB-CE1 4.35Å
406	L	87.8	Confident	88.3	Confident	52 Å²	52	62.1 Å²	62.1	27%	0.272	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-46	174.9	-67	170.3	0	0	0	111.2	G402 N403 K408 I409 N410 A526 F547	G402-L406 PolarHBondContact O-N 2.92Å; N403-L406 WeakPolarHBondContact O-CA 3.17Å; N403-L406 WeakPolarHBondContact O-CB 3.47Å; N403-L406 PolarHBondContact O-N 3.08Å; L406-K408 VanDerWaalsContact C-N 3.31Å; L406-K408 PolarHBondContact O-N 3.43Å; L406-I409 HydrophobicContact CD2-CD1 4.31Å; L406-I409 WeakPolarHBondContact O-CG1 3.38Å; L406-I409 PolarHBondContact O-N 3.12Å; L406-N410 PolarHBondContact O-N 3.08Å; L406-N410 PolarHBondContact O-ND2 3.05Å; L406-A526 HydrophobicContact CD2-CB 4.12Å; L406-F547 HydrophobicContact CD2-CD1 4.25Å; L406-F547 HydrophobicContact CG-CD1 4.47Å
407	D	80.7	Confident	88.2	Confident	100 Å²	100	62.6 Å²	62.6	54%	0.535	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-42.8	178.4	-66.6	-22.9	0	0	0	111.7	N403 I409 N410	N403-D407 PolarHBondContact O-N 3.05Å; D407-I409 PolarHBondContact O-N 3.39Å; D407-N410 PolarHBondContact O-N 2.8Å
408	K	77.4	Confident	88.2	Confident	110 Å²	110	70.9 Å²	70.9	48%	0.478	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-37.9	177.3	-74.6	172.2	174	178.2	0	113.4	L404 C405 L406 E523	L404-K408 WeakPolarHBondContact O-CG 3.39Å; L404-K408 PolarHBondContact O-N 3.24Å; C405-K408 PolarHBondContact O-N 3.36Å; L406-K408 VanDerWaalsContact C-N 3.31Å; L406-K408 PolarHBondContact O-N 3.43Å; K408-E523 HydrophobicContact CB-CG 4.31Å; K408-E523 HydrophobicContact CD-CG 4.17Å; K408-E523 WeakPolarHBondContact CD-OE1 3.18Å; K408-E523 IonicContact NZ-OE1 2.66Å; K408-E523 PolarHBondContact NZ-OE1 3.44Å
409	I	83.3	Confident	88.2	Confident	14 Å²	14	73 Å²	73	7%	0.072	37%	0.373	C	S	.	.	H	α-helix	trans	-83.1	-22.3	-177.6	64.6	161.5	0	0	0	112.9	C405 L406 D407 V411 L412 E523 A526 L527	C405-I409 WeakPolarHBondContact O-CG1 3.41Å; C405-I409 WeakPolarHBondContact O-CG2 3.44Å; C405-I409 PolarHBondContact O-N 3.03Å; L406-I409 HydrophobicContact CD2-CD1 4.31Å; L406-I409 WeakPolarHBondContact O-CG1 3.38Å; L406-I409 PolarHBondContact O-N 3.12Å; D407-I409 PolarHBondContact O-N 3.39Å; I409-V411 PolarHBondContact O-N 3.33Å; I409-L412 HydrophobicContact CB-CD1 4.4Å; I409-L412 VanDerWaalsContact O-CB 3.23Å; I409-L412 WeakPolarHBondContact O-CB 3.42Å; I409-L412 WeakPolarHBondContact O-CG 3.45Å; I409-L412 PolarHBondContact O-N 3.02Å; I409-E523 HydrophobicContact CG2-CB 3.69Å; I409-E523 HydrophobicContact CG2-CG 4.11Å; I409-A526 VanDerWaalsContact CD1-C 3.44Å; I409-A526 HydrophobicContact CD1-CB 3.63Å; I409-A526 WeakPolarHBondContact CD1-O 3.44Å; I409-A526 HydrophobicContact CG1-CB 4.34Å; I409-L527 HydrophobicContact CB-CD2 4.1Å; I409-L527 HydrophobicContact CB-CG 4.15Å; I409-L527 HydrophobicContact CD1-CD2 3.88Å; I409-L527 HydrophobicContact CD1-CG 3.87Å; I409-L527 HydrophobicContact CG2-CD1 4.27Å; I409-L527 HydrophobicContact CG2-CD2 4.49Å; I409-L527 HydrophobicContact CG2-CG 4.01Å
410	N	79.6	Confident	88.1	Confident	98 Å²	98	71.3 Å²	71.3	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-32.1	179.7	-76.9	-25	0	0	0	112.3	L406 D407 L412 H413	L406-N410 PolarHBondContact O-N 3.08Å; L406-N410 PolarHBondContact O-ND2 3.05Å; D407-N410 PolarHBondContact O-N 2.8Å; N410-L412 PolarHBondContact O-N 3.16Å; N410-L412 VanDerWaalsContact O-N 3.17Å; N410-H413 PolarHBondContact O-N 3.28Å; N410-H413 VanDerWaalsContact O-N 3.09Å; N410-H413 PolarHBondContact O-ND1 3.2Å
411	V	74.1	Confident	88.2	Confident	81 Å²	81	74.7 Å²	74.7	49%	0.491	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.2	174.7	-176.8	0	0	0	0	112.7	I409 H413	I409-V411 PolarHBondContact O-N 3.33Å; V411-H413 VanDerWaalsContact C-N 3.34Å; V411-H413 PolarHBondContact O-CD2 3.25Å
412	L	72.2	Confident	88.4	Confident	71 Å²	71	76.5 Å²	76.5	37%	0.372	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.5	178.8	-54.3	175.2	0	0	0	113	I409 N410 K414 L527	I409-L412 HydrophobicContact CB-CD1 4.4Å; I409-L412 VanDerWaalsContact O-CB 3.23Å; I409-L412 WeakPolarHBondContact O-CB 3.42Å; I409-L412 WeakPolarHBondContact O-CG 3.45Å; I409-L412 PolarHBondContact O-N 3.02Å; N410-L412 PolarHBondContact O-N 3.16Å; N410-L412 VanDerWaalsContact O-N 3.17Å; L412-K414 HydrophobicContact CB-CG 4.09Å; L412-K414 PolarHBondContact O-N 3.48Å; L412-K414 VanDerWaalsContact O-N 3.12Å; L412-L527 HydrophobicContact CD1-CD1 4.35Å
413	H	81.8	Confident	88.5	Confident	159 Å²	159	78.1 Å²	78.1	74%	0.736	40%	0.404	S	S	*	.			trans	47.1	39.1	-178.4	-58.9	-68.8	0	0	0	114.2	N410 V411	N410-H413 PolarHBondContact O-N 3.28Å; N410-H413 VanDerWaalsContact O-N 3.09Å; N410-H413 PolarHBondContact O-ND1 3.2Å; V411-H413 VanDerWaalsContact C-N 3.34Å; V411-H413 PolarHBondContact O-CD2 3.25Å
414	K	82.4	Confident	88.8	Confident	74 Å²	74	82.9 Å²	82.9	32%	0.322	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-74.3	132.4	179.7	-78.1	-77.5	-171.7	168.9	0	110.9	L412 D500 L527	L412-K414 HydrophobicContact CB-CG 4.09Å; L412-K414 PolarHBondContact O-N 3.48Å; L412-K414 VanDerWaalsContact O-N 3.12Å; K414-D500 IonicContact NZ-OD1 2.79Å; K414-D500 PolarHBondContact NZ-OD1 2.84Å; K414-D500 IonicContact NZ-OD2 3.46Å; K414-D500 PolarHBondContact NZ-OD2 3.01Å; K414-L527 HydrophobicContact CB-CD2 3.92Å; K414-L527 HydrophobicContact CG-CD2 4.07Å
415	P	93.9	Very high	89.1	Confident	95 Å²	95	87.1 Å²	87.1	62%	0.617	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-68.3	155.2	169.4	30.6	-34.3	0	0	0	110.4
416	P	96.5	Very high	89.5	Confident	126 Å²	126	86.8 Å²	86.8	82%	0.818	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-56.3	139	169.9	-23.2	33.8	0	0	0	111.6
417	Y	97.8	Very high	89.9	Confident	30 Å²	30	90.7 Å²	90.7	12%	0.118	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-74	148.7	177.3	-64.6	-78.9	0	0	0	112.1	A499 D500 H503 L527 P529	Y417-A499 HydrophobicContact CE2-CB 4.47Å; Y417-A499 WeakPolarHBondContact OH-CB 3.15Å; Y417-D500 PolarHBondContact OH-OD1 3.43Å; Y417-D500 VanDerWaalsContact OH-OD1 3.12Å; Y417-H503 HydrophobicContact CD1-CB 3.8Å; Y417-H503 AromaticContact CD1-CD2 3.27Å; Y417-H503 WeakPolarHBondContact CD1-CD2 3.38Å; Y417-H503 AromaticContact CD1-CG 3.36Å; Y417-H503 AromaticContact CD1-ND1 3.96Å; Y417-H503 AromaticContact CD1-NE2 3.84Å; Y417-H503 HydrophobicContact CE1-CB 3.88Å; Y417-H503 AromaticContact CE1-CD2 3.82Å; Y417-H503 AromaticContact CE1-CG 3.9Å; Y417-H503 HydrophobicContact CG-CB 4.37Å; Y417-H503 AromaticContact CG-CG 3.95Å; Y417-L527 VanDerWaalsContact CD2-O 3.28Å; Y417-L527 WeakPolarHBondContact CD2-O 3.3Å; Y417-L527 HydrophobicContact CE2-CB 4.28Å; Y417-L527 VanDerWaalsContact CE2-O 3.31Å; Y417-L527 WeakPolarHBondContact CE2-O 3.41Å; Y417-P529 HydrophobicContact CD2-CB 4.3Å; Y417-P529 HydrophobicContact CE2-CB 4.21Å
418	E	98	Very high	90.7	Very high	174 Å²	174	88 Å²	88	81%	0.813	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-83.7	118.4	170.7	-67.5	-171.4	173.2	0	0	110	H503	E418-H503 PolarHBondContact O-CE1 3.29Å
419	H	98.3	Very high	91.7	Very high	47 Å²	47	85.3 Å²	85.3	22%	0.218	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-95.3	144.1	-176.3	-55	144.3	0	0	0	113.1	R528 P531	H419-R528 PolarHBondContact NE2-O 3Å; H419-P531 HydrophobicContact CB-CB 3.69Å; H419-P531 HydrophobicContact CB-CG 3.98Å
420	P	96.2	Very high	92.5	Very high	36 Å²	36	84.7 Å²	84.7	23%	0.234	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-55.6	142.4	171.5	-22.7	32.6	0	0	0	112	Y901	P420-Y901 WeakPolarHBondContact O-CE1 3.3Å
421	K	96.1	Very high	93.4	Very high	139 Å²	139	82.2 Å²	82.2	60%	0.604	43%	0.426	S	S	*	.	S	Bend	trans	-111.3	-13.1	178.3	-58.4	-59.8	-178.3	-178.1	0	113.7	Y901	K421-Y901 HydrophobicContact CD-CE1 4.21Å; K421-Y901 PolarHBondContact NZ-OH 3.46Å
422	D	97.2	Very high	94.6	Very high	62 Å²	62	78.4 Å²	78.4	33%	0.332	40%	0.403	S	S	.	.	S	Bend	trans	-143.9	175.6	176.7	66.1	39.9	0	0	0	109.3	K424	D422-K424 VanDerWaalsContact OD1-CB 3.26Å; D422-K424 WeakPolarHBondContact OD1-CB 3.47Å; D422-K424 VanDerWaalsContact OD1-CG 3.32Å; D422-K424 WeakPolarHBondContact OD1-CG 3.29Å; D422-K424 PolarHBondContact OD1-N 2.96Å; D422-K424 WeakPolarHBondContact OD2-CD 3.3Å; D422-K424 VanDerWaalsContact OD2-CE 3.31Å; D422-K424 WeakPolarHBondContact OD2-CE 3.49Å; D422-K424 IonicContact OD2-NZ 2.75Å; D422-K424 PolarHBondContact OD2-NZ 2.95Å
423	L	97.9	Very high	95.8	Very high	35 Å²	35	75 Å²	75	18%	0.183	39%	0.385	C	S	.	.	S	Bend	trans	-97.9	16.3	-178	-56.8	179.8	0	0	0	112.8	L425 S426 D427 G428 L430 W898	L423-L425 PolarHBondContact O-N 2.79Å; L423-S426 CarbonylContact O-C 3.52Å; L423-S426 PolarHBondContact O-N 2.85Å; L423-S426 PolarHBondContact O-OG 3.19Å; L423-S426 VanDerWaalsContact O-OG 3.14Å; L423-D427 PolarHBondContact O-N 3.22Å; L423-G428 WeakPolarHBondContact O-CA 3.32Å; L423-G428 PolarHBondContact O-N 2.86Å; L423-L430 HydrophobicContact CD2-CD1 3.83Å; L423-W898 HydrophobicContact CD2-CD2 4.28Å; L423-W898 HydrophobicContact CD2-CH2 4.4Å; L423-W898 HydrophobicContact CD2-CZ2 3.57Å; L423-W898 HydrophobicContact CG-CZ2 4.05Å
424	K	96.3	Very high	96.7	Very high	161 Å²	161	67.4 Å²	67.4	70%	0.7	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-66.8	-40.9	-172.4	-68.7	176.8	-171.8	132.8	0	112.5	D422 S426 D427	D422-K424 VanDerWaalsContact OD1-CB 3.26Å; D422-K424 WeakPolarHBondContact OD1-CB 3.47Å; D422-K424 VanDerWaalsContact OD1-CG 3.32Å; D422-K424 WeakPolarHBondContact OD1-CG 3.29Å; D422-K424 PolarHBondContact OD1-N 2.96Å; D422-K424 WeakPolarHBondContact OD2-CD 3.3Å; D422-K424 VanDerWaalsContact OD2-CE 3.31Å; D422-K424 WeakPolarHBondContact OD2-CE 3.49Å; D422-K424 IonicContact OD2-NZ 2.75Å; D422-K424 PolarHBondContact OD2-NZ 2.95Å; K424-S426 PolarHBondContact O-N 2.78Å; K424-D427 PolarHBondContact O-N 2.93Å
425	L	94.9	Very high	97.5	Very high	156 Å²	156	63.9 Å²	63.9	82%	0.817	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-74	-7.6	-179.4	-66.7	175.5	0	0	0	113.5	L423 R431	L423-L425 PolarHBondContact O-N 2.79Å; L425-R431 PolarHBondContact O-NH2 2.64Å
426	S	96.6	Very high	97.7	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.014	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-116.9	21.1	178	56.2	0	0	0	0	112.4	L423 K424 G428 R429 H508	L423-S426 CarbonylContact O-C 3.52Å; L423-S426 PolarHBondContact O-N 2.85Å; L423-S426 PolarHBondContact O-OG 3.19Å; L423-S426 VanDerWaalsContact O-OG 3.14Å; K424-S426 PolarHBondContact O-N 2.78Å; S426-G428 PolarHBondContact O-N 3.48Å; S426-R429 WeakPolarHBondContact CB-O 3.41Å; S426-R429 VanDerWaalsContact O-CB 3.31Å; S426-R429 WeakPolarHBondContact O-CB 3.35Å; S426-R429 PolarHBondContact O-N 2.83Å; S426-R429 PolarHBondContact OG-O 2.84Å; S426-H508 PolarHBondContact OG-CE1 3.47Å
427	D	97.4	Very high	97.8	Very high	134 Å²	134	54 Å²	54	72%	0.717	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	36.5	178.1	-55.4	-50.3	0	0	0	113.4	L423 K424 R429	L423-D427 PolarHBondContact O-N 3.22Å; K424-D427 PolarHBondContact O-N 2.93Å; D427-R429 VanDerWaalsContact C-N 3.26Å; D427-R429 PolarHBondContact O-N 3.11Å
428	G	97.3	Very high	97.8	Very high	45 Å²	45	53.2 Å²	53.2	46%	0.464	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	2.9	-177.6	0	0	0	0	0	114.7	L423 S426	L423-G428 WeakPolarHBondContact O-CA 3.32Å; L423-G428 PolarHBondContact O-N 2.86Å; S426-G428 PolarHBondContact O-N 3.48Å
429	R	98.6	Very high	97.8	Very high	53 Å²	53	45 Å²	45	20%	0.2	23%	0.23	C	C	.	.			trans	-94.5	137	179.9	-57.4	-179.9	-66.3	155.7	4.8	111.8	S426 D427 R431 P457 K459 E461	S426-R429 WeakPolarHBondContact CB-O 3.41Å; S426-R429 VanDerWaalsContact O-CB 3.31Å; S426-R429 WeakPolarHBondContact O-CB 3.35Å; S426-R429 PolarHBondContact O-N 2.83Å; S426-R429 PolarHBondContact OG-O 2.84Å; D427-R429 VanDerWaalsContact C-N 3.26Å; D427-R429 PolarHBondContact O-N 3.11Å; R429-R431 PolarHBondContact O-N 3.32Å; R429-P457 WeakPolarHBondContact CD-O 3.32Å; R429-K459 CarbonylContact C-O 3.56Å; R429-K459 WeakPolarHBondContact CA-O 3.23Å; R429-E461 HydrophobicContact CB-CB 4.38Å; R429-E461 IonicContact CZ-OE1 3.49Å; R429-E461 IonicContact CZ-OE2 2.84Å; R429-E461 IonicContact NH1-OE1 2.83Å; R429-E461 IonicContact NH2-OE1 2.76Å; R429-E461 PolarHBondContact NH2-OE1 3.19Å; R429-E461 IonicContact NH2-OE2 3.76Å; R429-E461 PolarHBondContact NH2-OE2 3.05Å
430	L	98.8	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115	172	-169.1	68.8	0	0	0	109.9	L423 V432 K459 F460 E461 H508 I509 W898	L423-L430 HydrophobicContact CD2-CD1 3.83Å; L430-V432 HydrophobicContact CD2-CG2 4.41Å; L430-V432 HydrophobicContact CG-CG2 4.39Å; L430-V432 PolarHBondContact O-N 2.99Å; L430-K459 PolarHBondContact N-O 3.35Å; L430-F460 HydrophobicContact CB-CD1 4.05Å; L430-F460 HydrophobicContact CB-CE1 4.19Å; L430-F460 HydrophobicContact CD2-CD1 4.33Å; L430-F460 HydrophobicContact CD2-CE1 3.83Å; L430-F460 WeakPolarHBondContact O-CA 3.37Å; L430-E461 PolarHBondContact O-N 3.28Å; L430-H508 HydrophobicContact CD1-CB 3.49Å; L430-H508 VanDerWaalsContact CD1-CB 3.49Å; L430-H508 HydrophobicContact CG-CB 4.33Å; L430-I509 HydrophobicContact CD2-CD1 3.81Å; L430-I509 HydrophobicContact CD2-CG1 4.42Å; L430-W898 HydrophobicContact CD1-CB 3.84Å; L430-W898 HydrophobicContact CD1-CD2 3.68Å; L430-W898 HydrophobicContact CD1-CE3 4.06Å; L430-W898 HydrophobicContact CD1-CG 3.55Å; L430-W898 HydrophobicContact CD2-CB 4.17Å
431	R	98.9	Very high	97.9	Very high	47 Å²	47	44.7 Å²	44.7	18%	0.177	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.7	173.6	-59.9	-176.2	171.2	150.3	10.8	111.5	L425 R429 E461 F463 D505 G506 I507 H508 I509	L425-R431 PolarHBondContact O-NH2 2.64Å; R429-R431 PolarHBondContact O-N 3.32Å; R431-E461 VanDerWaalsContact CA-O 3.28Å; R431-E461 WeakPolarHBondContact CA-O 3.34Å; R431-E461 HydrophobicContact CG-CB 4.15Å; R431-E461 IonicContact CZ-OE2 2.76Å; R431-E461 IonicContact NE-OE2 3.59Å; R431-E461 PolarHBondContact NE-OE2 3.03Å; R431-E461 IonicContact NH2-OE2 3.61Å; R431-F463 HydrophobicContact CB-CD2 4.36Å; R431-F463 HydrophobicContact CB-CE2 3.99Å; R431-F463 HydrophobicContact CG-CE2 3.88Å; R431-D505 WeakPolarHBondContact CD-O 3.09Å; R431-D505 PolarHBondContact NH1-O 2.95Å; R431-G506 WeakPolarHBondContact CD-O 3.31Å; R431-I507 HydrophobicContact CB-CD1 4.15Å; R431-H508 VanDerWaalsContact CB-ND1 3.33Å; R431-H508 WeakPolarHBondContact CB-ND1 3.43Å; R431-H508 PolarHBondContact N-ND1 3.24Å; R431-H508 PolarHBondContact O-N 2.94Å; R431-I509 PolarHBondContact O-N 3.18Å
432	V	98.9	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.8	178.9	-177.8	0	0	0	0	109.3	L430 Y434 F460 E461 F463 I509 V511 Y894	L430-V432 HydrophobicContact CD2-CG2 4.41Å; L430-V432 HydrophobicContact CG-CG2 4.39Å; L430-V432 PolarHBondContact O-N 2.99Å; V432-Y434 HydrophobicContact CG1-CE1 4.37Å; V432-Y434 HydrophobicContact CG1-CE2 4.02Å; V432-F460 HydrophobicContact CG2-CD1 4.02Å; V432-E461 PolarHBondContact N-O 3.23Å; V432-F463 PolarHBondContact O-N 2.97Å; V432-I509 CarbonylContact C-O 3.53Å; V432-I509 WeakPolarHBondContact CA-O 3.35Å; V432-I509 HydrophobicContact CG2-CB 4.49Å; V432-V511 HydrophobicContact CG1-CG2 4.01Å; V432-Y894 HydrophobicContact CG1-CD2 4.42Å; V432-Y894 HydrophobicContact CG1-CE2 3.86Å; V432-Y894 HydrophobicContact CG2-CD2 4.01Å; V432-Y894 HydrophobicContact CG2-CE2 4.26Å
433	G	98.9	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.2	179.1	0	0	0	0	0	112.2	F463 I509 L510 V511	G433-F463 CarbonylContact C-O 3.59Å; G433-F463 VanDerWaalsContact CA-O 3.3Å; G433-F463 WeakPolarHBondContact CA-O 3.35Å; G433-I509 PolarHBondContact N-O 3.11Å; G433-L510 CarbonylContact O-C 3.38Å; G433-V511 PolarHBondContact O-N 2.99Å
434	Y	98.9	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.8	172.9	-64.7	-74.6	0	0	0	110.5	V432 H455 V462 F463 Y465 V511 M513 W536 Y894	V432-Y434 HydrophobicContact CG1-CE1 4.37Å; V432-Y434 HydrophobicContact CG1-CE2 4.02Å; Y434-H455 AromaticContact CE2-NE2 3.72Å; Y434-H455 AromaticContact CZ-NE2 3.64Å; Y434-H455 PolarHBondContact OH-CE1 3.03Å; Y434-H455 PolarHBondContact OH-NE2 2.66Å; Y434-V462 HydrophobicContact CD2-CG1 3.84Å; Y434-V462 HydrophobicContact CE2-CG1 3.83Å; Y434-F463 PolarHBondContact N-O 3.4Å; Y434-Y465 PolarHBondContact O-N 3.3Å; Y434-V511 HydrophobicContact CD1-CB 3.81Å; Y434-V511 HydrophobicContact CD1-CG1 3.98Å; Y434-V511 HydrophobicContact CD1-CG2 4.11Å; Y434-V511 HydrophobicContact CE1-CB 4.22Å; Y434-V511 HydrophobicContact CE1-CG1 4.23Å; Y434-V511 HydrophobicContact CE1-CG2 4.08Å; Y434-M513 HydrophobicContact CD1-SD 3.93Å; Y434-M513 HydrophobicContact CG-SD 4.31Å; Y434-W536 AromaticContact CD1-CE3 3.96Å; Y434-W536 HydrophobicContact CD1-CE3 3.96Å; Y434-W536 AromaticContact CD1-CZ3 3.69Å; Y434-W536 HydrophobicContact CD1-CZ3 3.69Å; Y434-W536 AromaticContact CE1-CE3 3.75Å; Y434-W536 HydrophobicContact CE1-CE3 3.75Å; Y434-W536 HydrophobicContact CE1-CH2 4.25Å; Y434-W536 AromaticContact CE1-CZ3 3.4Å; Y434-W536 HydrophobicContact CE1-CZ3 3.4Å; Y434-W536 VanDerWaalsContact CE1-CZ3 3.4Å; Y434-Y894 WeakPolarHBondContact CE1-OH 3.47Å; Y434-Y894 PolarHBondContact OH-OH 3.02Å
435	V	98.9	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.5	179.4	-169.5	0	0	0	0	109.7	Y465 L467 L510 V511 M513 L524 F525	V435-Y465 WeakPolarHBondContact CA-O 3.21Å; V435-Y465 HydrophobicContact CG2-CD2 4.08Å; V435-Y465 HydrophobicContact CG2-CG 4.42Å; V435-L467 HydrophobicContact CG1-CD1 4.01Å; V435-L467 HydrophobicContact CG1-CD2 3.7Å; V435-L467 HydrophobicContact CG1-CG 3.91Å; V435-L510 HydrophobicContact CG2-CD1 3.57Å; V435-L510 HydrophobicContact CG2-CD2 4.31Å; V435-L510 HydrophobicContact CG2-CG 3.85Å; V435-V511 PolarHBondContact N-O 2.99Å; V435-M513 WeakPolarHBondContact O-CB 3.29Å; V435-M513 PolarHBondContact O-N 3.46Å; V435-L524 HydrophobicContact CG1-CD1 4.44Å; V435-F525 HydrophobicContact CB-CE2 3.96Å; V435-F525 HydrophobicContact CB-CZ 3.7Å; V435-F525 HydrophobicContact CG1-CE2 4.09Å; V435-F525 HydrophobicContact CG1-CZ 4.33Å; V435-F525 HydrophobicContact CG2-CE1 4.49Å; V435-F525 HydrophobicContact CG2-CE2 4.14Å; V435-F525 HydrophobicContact CG2-CZ 3.61Å
436	S	98.8	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	140.4	-178.7	-166.6	0	0	0	0	113.1	D438 Y465 A466 L467 N514	S436-D438 PolarHBondContact O-N 3.45Å; S436-D438 WeakPolarHBondContact OG-CB 3.44Å; S436-D438 PolarHBondContact OG-N 2.97Å; S436-Y465 PolarHBondContact N-O 3.15Å; S436-A466 WeakPolarHBondContact O-CA 3.5Å; S436-L467 PolarHBondContact O-N 2.92Å; S436-N514 VanDerWaalsContact CA-OD1 3.3Å; S436-N514 WeakPolarHBondContact CA-OD1 3.45Å
437	S	98.4	Very high	98.4	Very high	13 Å²	13	25.7 Å²	25.7	9%	0.091	14%	0.143	C	C	.	.	S	Bend	trans	-77.6	-0.8	161.5	59.5	0	0	0	0	113.7	S468 N514 K518	S437-S468 VanDerWaalsContact C-OG 3.31Å; S437-S468 WeakPolarHBondContact O-CB 3.32Å; S437-S468 PolarHBondContact O-OG 2.86Å; S437-N514 PolarHBondContact N-OD1 3.32Å; S437-N514 VanDerWaalsContact N-OD1 3.13Å; S437-N514 PolarHBondContact OG-ND2 2.9Å; S437-K518 PolarHBondContact OG-O 3.32Å
438	D	98.5	Very high	98.5	Very high	13 Å²	13	19.3 Å²	19.3	7%	0.07	11%	0.109	C	C	.	.			trans	-117.6	15.2	-161.2	-56.2	-17	0	0	0	113.3	S436 G440 H442 T444 S445	S436-D438 PolarHBondContact O-N 3.45Å; S436-D438 WeakPolarHBondContact OG-CB 3.44Å; S436-D438 PolarHBondContact OG-N 2.97Å; D438-G440 PolarHBondContact O-N 3.31Å; D438-H442 HydrophobicContact CB-CB 3.84Å; D438-H442 VanDerWaalsContact CB-ND1 3.34Å; D438-H442 WeakPolarHBondContact CB-ND1 3.31Å; D438-H442 VanDerWaalsContact CG-CE1 3.46Å; D438-H442 IonicContact OD1-CE1 3.18Å; D438-H442 IonicContact OD1-ND1 3.95Å; D438-H442 IonicContact OD2-CE1 2.66Å; D438-H442 PolarHBondContact OD2-CE1 3.09Å; D438-H442 IonicContact OD2-ND1 2.77Å; D438-H442 PolarHBondContact OD2-ND1 3.4Å; D438-H442 VanDerWaalsContact OD2-ND1 3.15Å; D438-T444 HydrophobicContact CB-CG2 4.2Å; D438-T444 PolarHBondContact OD2-OG1 2.55Å; D438-S445 PolarHBondContact O-OG 3.04Å
439	F	98.7	Very high	98.6	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	9%	0.088	C	C	.	.	S	Bend	trans	-72.1	90	167.4	-61.9	-46.5	0	0	0	109.6	S445 M448 C464 A466 R476 V479 F486 M513	F439-S445 WeakPolarHBondContact CA-OG 3.37Å; F439-M448 HydrophobicContact CE1-CE 4.12Å; F439-M448 HydrophobicContact CE1-SD 4.11Å; F439-C464 HydrophobicContact CE2-CB 3.98Å; F439-C464 HydrophobicContact CZ-CB 4.13Å; F439-A466 HydrophobicContact CD2-CB 4.06Å; F439-R476 WeakPolarHBondContact O-CD 3.25Å; F439-R476 PolarHBondContact O-NH1 3.46Å; F439-V479 HydrophobicContact CD1-CG1 3.98Å; F439-V479 HydrophobicContact CD1-CG2 4.34Å; F439-V479 HydrophobicContact CE1-CG1 4.19Å; F439-V479 HydrophobicContact CG-CG1 4.34Å; F439-F486 HydrophobicContact CB-CZ 4.46Å; F439-F486 HydrophobicContact CD2-CE2 4.27Å; F439-F486 HydrophobicContact CD2-CZ 4.36Å; F439-M513 HydrophobicContact CE1-SD 4.42Å; F439-M513 HydrophobicContact CZ-SD 4.3Å
440	G	97.9	Very high	98.6	Very high	4 Å²	4	15.1 Å²	15.1	4%	0.041	8%	0.079	C	C	.	.	S	Bend	trans	163	-160.8	-169.3	0	0	0	0	0	111	D438 H442 S445 D471 F475	D438-G440 PolarHBondContact O-N 3.31Å; G440-H442 PolarHBondContact O-N 3.19Å; G440-S445 PolarHBondContact N-OG 3.45Å; G440-S445 WeakPolarHBondContact O-CB 3.38Å; G440-S445 PolarHBondContact O-OG 3.19Å; G440-D471 VanDerWaalsContact CA-OD2 3.23Å; G440-D471 WeakPolarHBondContact CA-OD2 3.47Å; G440-F475 VanDerWaalsContact O-CB 3.32Å; G440-F475 WeakPolarHBondContact O-CB 3.39Å
441	N	97.8	Very high	98.6	Very high	74 Å²	74	15.1 Å²	15.1	40%	0.396	8%	0.079	S	C	.	.	S	Bend	trans	-77.7	72.7	176.7	-173.6	16.5	0	0	0	112.1	H446 D471 T473 F475	N441-H446 PolarHBondContact OD1-CE1 3.18Å; N441-H446 VanDerWaalsContact OD1-CE1 3.31Å; N441-H446 PolarHBondContact OD1-NE2 2.92Å; N441-D471 PolarHBondContact N-OD2 3.22Å; N441-T473 HydrophobicContact CB-CG2 3.82Å; N441-T473 PolarHBondContact N-OG1 3.39Å; N441-F475 HydrophobicContact CB-CD2 3.84Å; N441-F475 HydrophobicContact CB-CE2 4Å
442	H	98.1	Very high	98.6	Very high	76 Å²	76	13 Å²	13	35%	0.352	7%	0.072	S	C	.	.	S	Bend	trans	-135.5	150	178.5	-170.8	-95.4	0	0	0	110.2	D438 G440 T444 S445 H446	D438-H442 HydrophobicContact CB-CB 3.84Å; D438-H442 VanDerWaalsContact CB-ND1 3.34Å; D438-H442 WeakPolarHBondContact CB-ND1 3.31Å; D438-H442 VanDerWaalsContact CG-CE1 3.46Å; D438-H442 IonicContact OD1-CE1 3.18Å; D438-H442 IonicContact OD1-ND1 3.95Å; D438-H442 IonicContact OD2-CE1 2.66Å; D438-H442 PolarHBondContact OD2-CE1 3.09Å; D438-H442 IonicContact OD2-ND1 2.77Å; D438-H442 PolarHBondContact OD2-ND1 3.4Å; D438-H442 VanDerWaalsContact OD2-ND1 3.15Å; G440-H442 PolarHBondContact O-N 3.19Å; H442-T444 PolarHBondContact CE1-OG1 2.81Å; H442-T444 PolarHBondContact ND1-N 3.32Å; H442-T444 PolarHBondContact ND1-OG1 3.38Å; H442-T444 PolarHBondContact O-N 2.83Å; H442-S445 PolarHBondContact O-N 3.17Å; H442-H446 PolarHBondContact O-CD2 2.85Å; H442-H446 PolarHBondContact O-N 2.85Å
443	P	97.6	Very high	98.6	Very high	56 Å²	56	14.8 Å²	14.8	36%	0.364	9%	0.09	S	C	.	.	H	α-helix	trans	-46.7	-40.2	177.7	-33.3	37.1	0	0	0	114.3	S445 H446 L447 T805	P443-S445 PolarHBondContact O-N 2.91Å; P443-H446 WeakPolarHBondContact O-CB 3.48Å; P443-H446 PolarHBondContact O-N 3.18Å; P443-H446 VanDerWaalsContact O-N 3.11Å; P443-L447 VanDerWaalsContact O-CG 3.3Å; P443-L447 WeakPolarHBondContact O-CG 3.39Å; P443-L447 PolarHBondContact O-N 3.16Å; P443-L447 VanDerWaalsContact O-N 3.15Å; P443-T805 HydrophobicContact CB-CG2 4.38Å
444	T	98.4	Very high	98.6	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.043	10%	0.102	C	C	.	.	H	α-helix	trans	-52.1	-51.8	176.1	-48.1	0	0	0	0	111.9	D438 H442 H446 L447 M448 M513	D438-T444 HydrophobicContact CB-CG2 4.2Å; D438-T444 PolarHBondContact OD2-OG1 2.55Å; H442-T444 PolarHBondContact CE1-OG1 2.81Å; H442-T444 PolarHBondContact ND1-N 3.32Å; H442-T444 PolarHBondContact ND1-OG1 3.38Å; H442-T444 PolarHBondContact O-N 2.83Å; T444-H446 PolarHBondContact O-N 2.97Å; T444-L447 WeakPolarHBondContact O-CB 3.4Å; T444-L447 PolarHBondContact O-N 3.21Å; T444-L447 VanDerWaalsContact O-N 3.1Å; T444-M448 HydrophobicContact CG2-CG 4.42Å; T444-M448 WeakPolarHBondContact O-CG 3.27Å; T444-M448 PolarHBondContact O-N 2.97Å; T444-M448 VanDerWaalsContact O-N 3.12Å; T444-M513 HydrophobicContact CG2-CE 3.42Å; T444-M513 VanDerWaalsContact CG2-CE 3.42Å
445	S	98.7	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-35.9	177.5	-72.8	0	0	0	0	112.8	D438 F439 G440 H442 P443 L447 M448 Q449	D438-S445 PolarHBondContact O-OG 3.04Å; F439-S445 WeakPolarHBondContact CA-OG 3.37Å; G440-S445 PolarHBondContact N-OG 3.45Å; G440-S445 WeakPolarHBondContact O-CB 3.38Å; G440-S445 PolarHBondContact O-OG 3.19Å; H442-S445 PolarHBondContact O-N 3.17Å; P443-S445 PolarHBondContact O-N 2.91Å; S445-L447 PolarHBondContact O-N 3.21Å; S445-L447 VanDerWaalsContact O-N 3.12Å; S445-M448 PolarHBondContact O-N 3.46Å; S445-Q449 WeakPolarHBondContact O-CB 3.26Å; S445-Q449 VanDerWaalsContact O-CG 3.3Å; S445-Q449 WeakPolarHBondContact O-CG 3.39Å; S445-Q449 PolarHBondContact O-N 2.96Å
446	H	98.7	Very high	98.5	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-18.3	174.9	-53.3	166.8	0	0	0	112.8	N441 H442 P443 T444 F475 D581 M585	N441-H446 PolarHBondContact OD1-CE1 3.18Å; N441-H446 VanDerWaalsContact OD1-CE1 3.31Å; N441-H446 PolarHBondContact OD1-NE2 2.92Å; H442-H446 PolarHBondContact O-CD2 2.85Å; H442-H446 PolarHBondContact O-N 2.85Å; P443-H446 WeakPolarHBondContact O-CB 3.48Å; P443-H446 PolarHBondContact O-N 3.18Å; P443-H446 VanDerWaalsContact O-N 3.11Å; T444-H446 PolarHBondContact O-N 2.97Å; H446-F475 AromaticContact CD2-CE1 3.64Å; H446-F475 AromaticContact CD2-CZ 3.61Å; H446-F475 AromaticContact NE2-CE2 3.66Å; H446-F475 AromaticContact NE2-CZ 3.6Å; H446-D581 VanDerWaalsContact O-CB 3.28Å; H446-D581 WeakPolarHBondContact O-CB 3.5Å; H446-D581 PolarHBondContact O-N 3.11Å; H446-M585 HydrophobicContact CB-CE 4.35Å; H446-M585 HydrophobicContact CB-SD 4.04Å
447	L	98.8	Very high	98.5	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-93.7	-45.5	177.4	-59.8	171.9	0	0	0	112.4	P443 T444 S445 L537 F578 I579 G580 D581 T805 M808	P443-L447 VanDerWaalsContact O-CG 3.3Å; P443-L447 WeakPolarHBondContact O-CG 3.39Å; P443-L447 PolarHBondContact O-N 3.16Å; P443-L447 VanDerWaalsContact O-N 3.15Å; T444-L447 WeakPolarHBondContact O-CB 3.4Å; T444-L447 PolarHBondContact O-N 3.21Å; T444-L447 VanDerWaalsContact O-N 3.1Å; S445-L447 PolarHBondContact O-N 3.21Å; S445-L447 VanDerWaalsContact O-N 3.12Å; L447-L537 HydrophobicContact CB-CD2 4.14Å; L447-L537 HydrophobicContact CD1-CD1 4.13Å; L447-L537 HydrophobicContact CD1-CD2 4.45Å; L447-L537 HydrophobicContact CD1-CG 4.34Å; L447-F578 HydrophobicContact CD1-CE1 3.95Å; L447-F578 HydrophobicContact CD1-CZ 3.71Å; L447-F578 HydrophobicContact CD2-CE1 3.89Å; L447-F578 HydrophobicContact CD2-CZ 4.46Å; L447-I579 WeakPolarHBondContact CB-O 3.43Å; L447-I579 WeakPolarHBondContact CD2-O 3.43Å; L447-G580 CarbonylContact O-C 3.59Å; L447-D581 PolarHBondContact O-N 3.18Å; L447-T805 HydrophobicContact CD2-CG2 4.09Å; L447-M808 HydrophobicContact CD2-CG 4.47Å
448	M	98.7	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-121.8	4.7	-165.4	65.7	67.5	76.1	0	0	116.7	F439 T444 S445 S450 I451 P452 M513 W536 L537	F439-M448 HydrophobicContact CE1-CE 4.12Å; F439-M448 HydrophobicContact CE1-SD 4.11Å; T444-M448 HydrophobicContact CG2-CG 4.42Å; T444-M448 WeakPolarHBondContact O-CG 3.27Å; T444-M448 PolarHBondContact O-N 2.97Å; T444-M448 VanDerWaalsContact O-N 3.12Å; S445-M448 PolarHBondContact O-N 3.46Å; M448-S450 PolarHBondContact O-N 3.27Å; M448-I451 HydrophobicContact CB-CB 4.48Å; M448-I451 HydrophobicContact CB-CG1 3.88Å; M448-I451 WeakPolarHBondContact O-CB 3.49Å; M448-I451 WeakPolarHBondContact O-CG1 3.18Å; M448-I451 PolarHBondContact O-N 3.38Å; M448-P452 HydrophobicContact CE-CG 4.09Å; M448-P452 VanDerWaalsContact O-CD 3.31Å; M448-P452 WeakPolarHBondContact O-CD 3.5Å; M448-M513 HydrophobicContact CE-CE 3.53Å; M448-M513 HydrophobicContact CE-SD 4Å; M448-M513 HydrophobicContact CG-CE 3.57Å; M448-M513 HydrophobicContact SD-CE 3.64Å; M448-W536 HydrophobicContact CB-CH2 3.87Å; M448-W536 HydrophobicContact CE-CH2 4.17Å; M448-W536 HydrophobicContact CE-CZ3 3.88Å; M448-W536 HydrophobicContact CG-CH2 4.23Å; M448-W536 HydrophobicContact CG-CZ3 4.43Å; M448-L537 HydrophobicContact CB-CD2 3.84Å; M448-L537 HydrophobicContact CG-CD2 3.82Å
449	Q	98.8	Very high	98.5	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24	-174.9	62.3	175.8	-32.3	0	0	115.1	S445 F475 K478 V479 D581 M585	S445-Q449 WeakPolarHBondContact O-CB 3.26Å; S445-Q449 VanDerWaalsContact O-CG 3.3Å; S445-Q449 WeakPolarHBondContact O-CG 3.39Å; S445-Q449 PolarHBondContact O-N 2.96Å; Q449-F475 VanDerWaalsContact OE1-CD1 3.3Å; Q449-K478 HydrophobicContact CB-CD 4.32Å; Q449-K478 HydrophobicContact CG-CD 4.05Å; Q449-K478 WeakPolarHBondContact O-CE 3.27Å; Q449-V479 HydrophobicContact CB-CG2 4.11Å; Q449-D581 VanDerWaalsContact CD-OD2 3.31Å; Q449-D581 HydrophobicContact CG-CB 4.17Å; Q449-D581 WeakPolarHBondContact CG-OD2 3.5Å; Q449-D581 PolarHBondContact NE2-OD2 3.28Å; Q449-M585 VanDerWaalsContact NE2-CG 3.34Å
450	S	98.8	Very high	98.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.3	177.4	-65.4	0	0	0	0	114.1	M448 G453 M454 K478 D581	M448-S450 PolarHBondContact O-N 3.27Å; S450-G453 PolarHBondContact O-N 3.01Å; S450-M454 WeakPolarHBondContact O-CB 3.35Å; S450-M454 VanDerWaalsContact O-CG 3.22Å; S450-M454 WeakPolarHBondContact O-CG 3.33Å; S450-M454 PolarHBondContact O-N 3.44Å; S450-K478 VanDerWaalsContact OG-CE 3.22Å; S450-K478 WeakPolarHBondContact OG-CE 3.29Å; S450-D581 WeakPolarHBondContact CB-OD1 3.49Å; S450-D581 PolarHBondContact OG-OD1 2.99Å; S450-D581 PolarHBondContact OG-OD2 3.49Å
451	I	98.9	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-46.4	-176.2	-56	-61.1	0	0	0	111.8	M448 G453 M454 H455 W536 T883 Y886 T887 L890	M448-I451 HydrophobicContact CB-CB 4.48Å; M448-I451 HydrophobicContact CB-CG1 3.88Å; M448-I451 WeakPolarHBondContact O-CB 3.49Å; M448-I451 WeakPolarHBondContact O-CG1 3.18Å; M448-I451 PolarHBondContact O-N 3.38Å; I451-G453 VanDerWaalsContact C-N 3.29Å; I451-G453 PolarHBondContact O-N 3.26Å; I451-M454 PolarHBondContact O-N 2.96Å; I451-H455 PolarHBondContact O-CD2 3.23Å; I451-H455 PolarHBondContact O-N 3.31Å; I451-W536 HydrophobicContact CG1-CH2 4.45Å; I451-W536 HydrophobicContact CG2-CH2 4.33Å; I451-T883 HydrophobicContact CD1-CG2 4.4Å; I451-Y886 HydrophobicContact CD1-CD1 3.91Å; I451-T887 WeakPolarHBondContact CD1-OG1 3.5Å; I451-T887 HydrophobicContact CG2-CG2 4.19Å; I451-L890 HydrophobicContact CG2-CD2 4.29Å
452	P	98.8	Very high	98.6	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-53.7	-42.9	179	-29.1	37.6	0	0	0	113.8	M448 M454 V462 V479 A483	M448-P452 HydrophobicContact CE-CG 4.09Å; M448-P452 VanDerWaalsContact O-CD 3.31Å; M448-P452 WeakPolarHBondContact O-CD 3.5Å; P452-M454 VanDerWaalsContact C-N 3.33Å; P452-M454 PolarHBondContact O-N 2.92Å; P452-V462 HydrophobicContact CB-CG1 4.13Å; P452-V479 HydrophobicContact CG-CG1 4.31Å; P452-A483 HydrophobicContact CB-CB 4.29Å
453	G	98.6	Very high	98.7	Very high	37 Å²	37	28.1 Å²	28.1	38%	0.381	16%	0.158	S	C	.	.	H	α-helix	trans	-78.4	-11.4	178.7	0	0	0	0	0	115.5	S450 I451	S450-G453 PolarHBondContact O-N 3.01Å; I451-G453 VanDerWaalsContact C-N 3.29Å; I451-G453 PolarHBondContact O-N 3.26Å
454	M	98.8	Very high	98.7	Very high	51 Å²	51	25.5 Å²	25.5	25%	0.251	14%	0.141	S	C	.	.	H	α-helix	trans	-95.6	-7.8	-178.6	-77.1	-178.1	179.4	0	0	113.6	S450 I451 P452 T883 K884 T887	S450-M454 WeakPolarHBondContact O-CB 3.35Å; S450-M454 VanDerWaalsContact O-CG 3.22Å; S450-M454 WeakPolarHBondContact O-CG 3.33Å; S450-M454 PolarHBondContact O-N 3.44Å; I451-M454 PolarHBondContact O-N 2.96Å; P452-M454 VanDerWaalsContact C-N 3.33Å; P452-M454 PolarHBondContact O-N 2.92Å; M454-T883 WeakPolarHBondContact CE-OG1 3.4Å; M454-T883 PolarHBondContact SD-OG1 3Å; M454-K884 HydrophobicContact CB-CD 4.21Å; M454-K884 HydrophobicContact CG-CD 4.32Å; M454-K884 PolarHBondContact O-NZ 3.31Å; M454-K884 HydrophobicContact SD-CB 4.08Å; M454-K884 HydrophobicContact SD-CD 4.46Å; M454-T887 HydrophobicContact CB-CG2 4.04Å
455	H	98.9	Very high	98.7	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.056	14%	0.139	C	C	.	.	S	Bend	trans	-61.3	144.3	175	-85.3	-65.9	0	0	0	112	Y434 I451 P457 F460 V462 E891	Y434-H455 AromaticContact CE2-NE2 3.72Å; Y434-H455 AromaticContact CZ-NE2 3.64Å; Y434-H455 PolarHBondContact OH-CE1 3.03Å; Y434-H455 PolarHBondContact OH-NE2 2.66Å; I451-H455 PolarHBondContact O-CD2 3.23Å; I451-H455 PolarHBondContact O-N 3.31Å; H455-P457 VanDerWaalsContact O-CD 3.25Å; H455-P457 WeakPolarHBondContact O-CD 3.4Å; H455-F460 HydrophobicContact CB-CB 4.31Å; H455-V462 HydrophobicContact CB-CG2 3.58Å; H455-V462 WeakPolarHBondContact CD2-CG2 3.45Å; H455-E891 WeakPolarHBondContact CA-OE1 3.23Å; H455-E891 IonicContact CG-OE1 2.78Å; H455-E891 WeakPolarHBondContact ND1-CG 3.38Å; H455-E891 IonicContact ND1-OE1 3.57Å; H455-E891 PolarHBondContact ND1-OE1 3.02Å
456	N	98.7	Very high	98.8	Very high	50 Å²	50	25.1 Å²	25.1	27%	0.267	14%	0.139	S	C	.	.			trans	-74	109.5	175.5	179.4	5	0	0	0	110.1	D458 K459 F460 E891	N456-D458 PolarHBondContact O-N 3.32Å; N456-D458 VanDerWaalsContact O-N 3.14Å; N456-D458 WeakPolarHBondContact OD1-CB 3.16Å; N456-D458 PolarHBondContact OD1-N 3.48Å; N456-D458 VanDerWaalsContact OD1-N 3.09Å; N456-K459 PolarHBondContact O-N 2.95Å; N456-K459 VanDerWaalsContact O-N 3.12Å; N456-F460 HydrophobicContact CB-CD2 4.4Å; N456-F460 PolarHBondContact O-N 2.77Å; N456-E891 PolarHBondContact N-OE1 3.09Å
457	P	98.2	Very high	98.7	Very high	74 Å²	74	25.6 Å²	25.6	48%	0.481	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.7	-175.7	29.8	-36.8	0	0	0	113.5	R429 H455 K459 F460	R429-P457 WeakPolarHBondContact CD-O 3.32Å; H455-P457 VanDerWaalsContact O-CD 3.25Å; H455-P457 WeakPolarHBondContact O-CD 3.4Å; P457-K459 VanDerWaalsContact C-N 3.29Å; P457-F460 WeakPolarHBondContact CA-O 3.39Å
458	D	98.3	Very high	98.6	Very high	135 Å²	135	26.4 Å²	26.4	72%	0.722	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.8	177.7	-63.1	-19	0	0	0	112.2	N456	N456-D458 PolarHBondContact O-N 3.32Å; N456-D458 VanDerWaalsContact O-N 3.14Å; N456-D458 WeakPolarHBondContact OD1-CB 3.16Å; N456-D458 PolarHBondContact OD1-N 3.48Å; N456-D458 VanDerWaalsContact OD1-N 3.09Å
459	K	98.6	Very high	98.5	Very high	116 Å²	116	30.3 Å²	30.3	50%	0.504	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-18.9	-176.9	-67.9	-168.8	178.3	-173.2	0	113.6	R429 L430 N456 P457	R429-K459 CarbonylContact C-O 3.56Å; R429-K459 WeakPolarHBondContact CA-O 3.23Å; L430-K459 PolarHBondContact N-O 3.35Å; N456-K459 PolarHBondContact O-N 2.95Å; N456-K459 VanDerWaalsContact O-N 3.12Å; P457-K459 VanDerWaalsContact C-N 3.29Å
460	F	98.9	Very high	98.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.7	-174.7	-63	-92.5	0	0	0	111.3	L430 V432 H455 N456 P457 E891 Y894 L895	L430-F460 HydrophobicContact CB-CD1 4.05Å; L430-F460 HydrophobicContact CB-CE1 4.19Å; L430-F460 HydrophobicContact CD2-CD1 4.33Å; L430-F460 HydrophobicContact CD2-CE1 3.83Å; L430-F460 WeakPolarHBondContact O-CA 3.37Å; V432-F460 HydrophobicContact CG2-CD1 4.02Å; H455-F460 HydrophobicContact CB-CB 4.31Å; N456-F460 HydrophobicContact CB-CD2 4.4Å; N456-F460 PolarHBondContact O-N 2.77Å; P457-F460 WeakPolarHBondContact CA-O 3.39Å; F460-E891 HydrophobicContact CD1-CG 4.43Å; F460-E891 HydrophobicContact CD2-CB 4.41Å; F460-E891 HydrophobicContact CD2-CG 3.79Å; F460-E891 WeakPolarHBondContact CD2-OE1 3.47Å; F460-E891 HydrophobicContact CE1-CB 4.22Å; F460-E891 HydrophobicContact CE1-CG 4.05Å; F460-E891 HydrophobicContact CE2-CB 3.52Å; F460-E891 HydrophobicContact CE2-CG 3.38Å; F460-E891 HydrophobicContact CG-CG 4.32Å; F460-E891 HydrophobicContact CZ-CB 3.4Å; F460-E891 HydrophobicContact CZ-CG 3.53Å; F460-E891 WeakPolarHBondContact CZ-O 3.45Å; F460-Y894 HydrophobicContact CE1-CD2 4.27Å; F460-L895 HydrophobicContact CZ-CD1 4.12Å; F460-L895 HydrophobicContact CZ-CD2 4.3Å; F460-L895 HydrophobicContact CZ-CG 3.89Å
461	E	98.9	Very high	98.3	Very high	15 Å²	15	37.6 Å²	37.6	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.2	169.4	-176.5	175.6	-142.1	0	0	108.3	R429 L430 R431 V432 F463 N484 H485	R429-E461 HydrophobicContact CB-CB 4.38Å; R429-E461 IonicContact CZ-OE1 3.49Å; R429-E461 IonicContact CZ-OE2 2.84Å; R429-E461 IonicContact NH1-OE1 2.83Å; R429-E461 IonicContact NH2-OE1 2.76Å; R429-E461 PolarHBondContact NH2-OE1 3.19Å; R429-E461 IonicContact NH2-OE2 3.76Å; R429-E461 PolarHBondContact NH2-OE2 3.05Å; L430-E461 PolarHBondContact O-N 3.28Å; R431-E461 VanDerWaalsContact CA-O 3.28Å; R431-E461 WeakPolarHBondContact CA-O 3.34Å; R431-E461 HydrophobicContact CG-CB 4.15Å; R431-E461 IonicContact CZ-OE2 2.76Å; R431-E461 IonicContact NE-OE2 3.59Å; R431-E461 PolarHBondContact NE-OE2 3.03Å; R431-E461 IonicContact NH2-OE2 3.61Å; V432-E461 PolarHBondContact N-O 3.23Å; E461-F463 HydrophobicContact CB-CE2 4.39Å; E461-F463 HydrophobicContact CG-CD2 4.5Å; E461-F463 HydrophobicContact CG-CE2 3.69Å; E461-F463 HydrophobicContact CG-CZ 4.27Å; E461-N484 WeakPolarHBondContact CA-OD1 3.45Å; E461-N484 HydrophobicContact CG-CB 4.25Å; E461-H485 IonicContact OE1-CD2 2.7Å; E461-H485 IonicContact OE1-CE1 2.84Å; E461-H485 IonicContact OE1-NE2 3.89Å; E461-H485 PolarHBondContact OE1-NE2 2.84Å
462	V	98.9	Very high	98.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.6	-166.9	-177.7	0	0	0	0	111.3	Y434 P452 H455 A483 N484 H485	Y434-V462 HydrophobicContact CD2-CG1 3.84Å; Y434-V462 HydrophobicContact CE2-CG1 3.83Å; P452-V462 HydrophobicContact CB-CG1 4.13Å; H455-V462 HydrophobicContact CB-CG2 3.58Å; H455-V462 WeakPolarHBondContact CD2-CG2 3.45Å; V462-A483 HydrophobicContact CG1-CB 4.49Å; V462-N484 PolarHBondContact N-OD1 3.35Å; V462-N484 WeakPolarHBondContact O-CB 3.47Å; V462-N484 PolarHBondContact O-N 2.92Å; V462-H485 PolarHBondContact O-N 3.49Å
463	F	98.9	Very high	98.3	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.2	174.4	-65.8	-107.7	0	0	0	109.3	R431 V432 G433 Y434 E461 Y465 H485 I487 D505 I507	R431-F463 HydrophobicContact CB-CD2 4.36Å; R431-F463 HydrophobicContact CB-CE2 3.99Å; R431-F463 HydrophobicContact CG-CE2 3.88Å; V432-F463 PolarHBondContact O-N 2.97Å; G433-F463 CarbonylContact C-O 3.59Å; G433-F463 VanDerWaalsContact CA-O 3.3Å; G433-F463 WeakPolarHBondContact CA-O 3.35Å; Y434-F463 PolarHBondContact N-O 3.4Å; E461-F463 HydrophobicContact CB-CE2 4.39Å; E461-F463 HydrophobicContact CG-CD2 4.5Å; E461-F463 HydrophobicContact CG-CE2 3.69Å; E461-F463 HydrophobicContact CG-CZ 4.27Å; F463-Y465 HydrophobicContact CB-CD2 4.41Å; F463-Y465 HydrophobicContact CB-CE2 3.68Å; F463-H485 CarbonylContact C-O 3.56Å; F463-H485 WeakPolarHBondContact CA-O 3.36Å; F463-H485 HydrophobicContact CD1-CB 3.46Å; F463-H485 VanDerWaalsContact CD1-CB 3.46Å; F463-H485 AromaticContact CD1-CD2 3.87Å; F463-H485 AromaticContact CD1-CG 3.82Å; F463-H485 HydrophobicContact CE1-CB 3.66Å; F463-H485 AromaticContact CE1-CD2 3.35Å; F463-H485 WeakPolarHBondContact CE1-CD2 3.49Å; F463-H485 AromaticContact CE1-CG 3.47Å; F463-H485 VanDerWaalsContact CE1-CG 3.47Å; F463-H485 AromaticContact CE2-CD2 3.66Å; F463-H485 HydrophobicContact CG-CB 4.03Å; F463-H485 HydrophobicContact CZ-CB 4.41Å; F463-H485 AromaticContact CZ-CD2 3.23Å; F463-H485 WeakPolarHBondContact CZ-CD2 3.48Å; F463-H485 AromaticContact CZ-CG 3.87Å; F463-H485 AromaticContact CZ-NE2 3.7Å; F463-I487 HydrophobicContact CB-CD1 4.35Å; F463-I487 HydrophobicContact CD1-CD1 3.82Å; F463-D505 HydrophobicContact CD1-CB 3.99Å; F463-D505 HydrophobicContact CE1-CB 3.69Å; F463-D505 HydrophobicContact CZ-CB 4.31Å; F463-I507 HydrophobicContact CB-CD1 3.85Å; F463-I507 HydrophobicContact CD1-CD1 4.11Å; F463-I507 HydrophobicContact CD2-CD1 3.45Å; F463-I507 VanDerWaalsContact CD2-CD1 3.45Å; F463-I507 HydrophobicContact CE2-CD1 3.98Å; F463-I507 HydrophobicContact CG-CD1 3.54Å
464	C	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.6	172.2	-73.7	0	0	0	0	109.6	F439 V479 A483 H485 F486 I487	F439-C464 HydrophobicContact CE2-CB 3.98Å; F439-C464 HydrophobicContact CZ-CB 4.13Å; C464-V479 HydrophobicContact CB-CG1 4.03Å; C464-A483 HydrophobicContact CB-CB 4.17Å; C464-H485 PolarHBondContact N-O 2.91Å; C464-F486 HydrophobicContact CB-CD2 3.62Å; C464-F486 HydrophobicContact CB-CE2 3.88Å; C464-F486 HydrophobicContact CB-CG 4.49Å; C464-I487 PolarHBondContact O-N 3.4Å
465	Y	98.9	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	102	179.5	-63.8	-78.1	0	0	0	110.2	Y434 V435 S436 F463 I487 L489 I502 D505 I507 L510	Y434-Y465 PolarHBondContact O-N 3.3Å; V435-Y465 WeakPolarHBondContact CA-O 3.21Å; V435-Y465 HydrophobicContact CG2-CD2 4.08Å; V435-Y465 HydrophobicContact CG2-CG 4.42Å; S436-Y465 PolarHBondContact N-O 3.15Å; F463-Y465 HydrophobicContact CB-CD2 4.41Å; F463-Y465 HydrophobicContact CB-CE2 3.68Å; Y465-I487 CarbonylContact C-O 3.59Å; Y465-I487 WeakPolarHBondContact CA-O 3.32Å; Y465-I487 HydrophobicContact CD1-CB 3.67Å; Y465-I487 HydrophobicContact CD1-CD1 4.15Å; Y465-I487 HydrophobicContact CD1-CG1 4.19Å; Y465-I487 HydrophobicContact CD1-CG2 3.96Å; Y465-I487 HydrophobicContact CE1-CB 3.91Å; Y465-I487 HydrophobicContact CE1-CD1 3.76Å; Y465-I487 HydrophobicContact CE1-CG1 3.91Å; Y465-I487 HydrophobicContact CE1-CG2 4.17Å; Y465-L489 HydrophobicContact CD1-CD1 3.9Å; Y465-L489 HydrophobicContact CD1-CD2 4.32Å; Y465-L489 HydrophobicContact CD1-CG 4.08Å; Y465-L489 HydrophobicContact CG-CD1 4.18Å; Y465-I502 HydrophobicContact CD1-CG1 3.97Å; Y465-I502 HydrophobicContact CE1-CG1 3.73Å; Y465-I502 HydrophobicContact CE2-CG1 4.29Å; Y465-I502 HydrophobicContact CE2-CG2 4.46Å; Y465-I502 HydrophobicContact CG-CG1 4.36Å; Y465-D505 WeakPolarHBondContact CE1-OD2 3.41Å; Y465-D505 VanDerWaalsContact OH-CB 3.25Å; Y465-D505 WeakPolarHBondContact OH-CB 3.43Å; Y465-D505 PolarHBondContact OH-OD2 3.16Å; Y465-I507 HydrophobicContact CE2-CD1 4.15Å; Y465-I507 HydrophobicContact CE2-CG1 4.04Å; Y465-I507 WeakPolarHBondContact OH-CD1 3.21Å; Y465-I507 VanDerWaalsContact OH-CG1 3.31Å; Y465-I507 WeakPolarHBondContact OH-CG1 3.34Å; Y465-L510 HydrophobicContact CD2-CD1 4.23Å; Y465-L510 HydrophobicContact CE2-CD1 4.15Å
466	A	98.8	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.8	178.1	0	0	0	0	0	111.8	S436 F439 R476 F486 I487 L489 S490	S436-A466 WeakPolarHBondContact O-CA 3.5Å; F439-A466 HydrophobicContact CD2-CB 4.06Å; A466-R476 VanDerWaalsContact CB-NH1 3.29Å; A466-R476 VanDerWaalsContact CB-NH2 3.25Å; A466-F486 HydrophobicContact CB-CE1 3.83Å; A466-F486 HydrophobicContact CB-CZ 3.64Å; A466-I487 PolarHBondContact N-O 3.48Å; A466-L489 WeakPolarHBondContact O-CA 3.36Å; A466-L489 WeakPolarHBondContact O-CB 3.32Å; A466-L489 PolarHBondContact O-N 3.36Å; A466-S490 PolarHBondContact O-N 3.02Å
467	L	97.9	Very high	98.3	Very high	18 Å²	18	39.7 Å²	39.7	9%	0.094	23%	0.232	C	C	.	.	S	Bend	trans	-89.5	-10.8	171.5	-51.2	-176.3	0	0	0	112.3	V435 S436 L489 S490 R521 L524	V435-L467 HydrophobicContact CG1-CD1 4.01Å; V435-L467 HydrophobicContact CG1-CD2 3.7Å; V435-L467 HydrophobicContact CG1-CG 3.91Å; S436-L467 PolarHBondContact O-N 2.92Å; L467-L489 HydrophobicContact CD2-CB 4.16Å; L467-L489 HydrophobicContact CD2-CD1 4.12Å; L467-S490 WeakPolarHBondContact O-CB 3.44Å; L467-R521 HydrophobicContact CD1-CB 4Å; L467-R521 HydrophobicContact CD1-CG 4.32Å; L467-L524 HydrophobicContact CD2-CD1 3.75Å
468	S	96	Very high	98.3	Very high	25 Å²	25	38 Å²	38	18%	0.175	22%	0.217	C	C	.	.	S	Bend	trans	-110.9	147.7	178.6	53.5	0	0	0	0	112	S437 R476	S437-S468 VanDerWaalsContact C-OG 3.31Å; S437-S468 WeakPolarHBondContact O-CB 3.32Å; S437-S468 PolarHBondContact O-OG 2.86Å; S468-R476 PolarHBondContact O-NH1 3.23Å; S468-R476 PolarHBondContact O-NH2 3.2Å; S468-R476 VanDerWaalsContact O-NH2 3.14Å
469	P	95.9	Very high	98.3	Very high	81 Å²	81	31.6 Å²	31.6	53%	0.526	18%	0.183	S	C	.	.			trans	-63.7	160.9	170.8	30.1	-35.5	0	0	0	110.5	D471	P469-D471 PolarHBondContact O-N 3.44Å
470	D	97.9	Very high	98.3	Very high	84 Å²	84	30 Å²	30	45%	0.449	18%	0.178	S	C	.	.			trans	-61.7	127	173.8	-168.8	-12.8	0	0	0	110.8	G472 R476	D470-G472 WeakPolarHBondContact OD1-CA 3.41Å; D470-G472 PolarHBondContact OD1-N 2.98Å; D470-R476 HydrophobicContact CB-CG 4.32Å; D470-R476 VanDerWaalsContact OD1-CG 3.27Å; D470-R476 WeakPolarHBondContact OD1-CG 3.47Å
471	D	97.3	Very high	98.3	Very high	80 Å²	80	33.7 Å²	33.7	43%	0.428	21%	0.209	S	C	.	.			trans	-94.4	1.2	178.4	68.7	-0.6	0	0	0	113.2	G440 N441 P469 T473	G440-D471 VanDerWaalsContact CA-OD2 3.23Å; G440-D471 WeakPolarHBondContact CA-OD2 3.47Å; N441-D471 PolarHBondContact N-OD2 3.22Å; P469-D471 PolarHBondContact O-N 3.44Å; D471-T473 VanDerWaalsContact C-N 3.29Å; D471-T473 HydrophobicContact CB-CG2 4.4Å; D471-T473 VanDerWaalsContact CG-CG2 3.46Å; D471-T473 PolarHBondContact O-N 3.03Å; D471-T473 VanDerWaalsContact OD1-CB 3.27Å; D471-T473 WeakPolarHBondContact OD1-CB 3.32Å; D471-T473 VanDerWaalsContact OD1-CG2 3.26Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.34Å; D471-T473 PolarHBondContact OD1-N 3.38Å; D471-T473 PolarHBondContact OD1-OG1 2.98Å; D471-T473 PolarHBondContact OD2-OG1 3.46Å
472	G	98	Very high	98.3	Very high	53 Å²	53	36.5 Å²	36.5	55%	0.546	22%	0.222	S	C	.	.			trans	77.1	9.7	178.7	0	0	0	0	0	114.6	D470	D470-G472 WeakPolarHBondContact OD1-CA 3.41Å; D470-G472 PolarHBondContact OD1-N 2.98Å
473	T	98.4	Very high	98.3	Very high	15 Å²	15	37 Å²	37	9%	0.092	23%	0.226	C	C	.	.			trans	-88.7	153.4	-175.5	67.8	0	0	0	0	112.1	N441 D471 F475 R476 V477 E695	N441-T473 HydrophobicContact CB-CG2 3.82Å; N441-T473 PolarHBondContact N-OG1 3.39Å; D471-T473 VanDerWaalsContact C-N 3.29Å; D471-T473 HydrophobicContact CB-CG2 4.4Å; D471-T473 VanDerWaalsContact CG-CG2 3.46Å; D471-T473 PolarHBondContact O-N 3.03Å; D471-T473 VanDerWaalsContact OD1-CB 3.27Å; D471-T473 WeakPolarHBondContact OD1-CB 3.32Å; D471-T473 VanDerWaalsContact OD1-CG2 3.26Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.34Å; D471-T473 PolarHBondContact OD1-N 3.38Å; D471-T473 PolarHBondContact OD1-OG1 2.98Å; D471-T473 PolarHBondContact OD2-OG1 3.46Å; T473-F475 PolarHBondContact O-N 3.42Å; T473-F475 VanDerWaalsContact O-N 3.15Å; T473-R476 PolarHBondContact O-N 3.08Å; T473-R476 VanDerWaalsContact O-N 3.15Å; T473-V477 WeakPolarHBondContact O-CG2 3.39Å; T473-V477 PolarHBondContact O-N 3.4Å; T473-V477 VanDerWaalsContact O-N 3.17Å; T473-E695 WeakPolarHBondContact CA-OE2 3.17Å
474	N	98.6	Very high	98.3	Very high	48 Å²	48	40.1 Å²	40.1	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-24	177.8	-68.6	1.5	0	0	0	112.6	V477 K478 K690 E695	N474-V477 PolarHBondContact O-N 2.93Å; N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.03Å; N474-K690 PolarHBondContact OD1-NZ 2.85Å; N474-E695 HydrophobicContact CB-CB 3.76Å; N474-E695 HydrophobicContact CB-CG 3.99Å; N474-E695 PolarHBondContact N-OE2 2.98Å; N474-E695 PolarHBondContact ND2-O 3.46Å
475	F	98.6	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-49.8	174.4	-56.7	-64.8	0	0	0	111.2	G440 N441 H446 Q449 T473 K478 V479 M585 E695	G440-F475 VanDerWaalsContact O-CB 3.32Å; G440-F475 WeakPolarHBondContact O-CB 3.39Å; N441-F475 HydrophobicContact CB-CD2 3.84Å; N441-F475 HydrophobicContact CB-CE2 4Å; H446-F475 AromaticContact CD2-CE1 3.64Å; H446-F475 AromaticContact CD2-CZ 3.61Å; H446-F475 AromaticContact NE2-CE2 3.66Å; H446-F475 AromaticContact NE2-CZ 3.6Å; Q449-F475 VanDerWaalsContact OE1-CD1 3.3Å; T473-F475 PolarHBondContact O-N 3.42Å; T473-F475 VanDerWaalsContact O-N 3.15Å; F475-K478 PolarHBondContact O-N 3.36Å; F475-V479 WeakPolarHBondContact O-CG2 3.36Å; F475-V479 PolarHBondContact O-N 3.36Å; F475-M585 HydrophobicContact CE1-CE 3.53Å; F475-M585 HydrophobicContact CE1-SD 4.14Å; F475-M585 HydrophobicContact CZ-CE 3.75Å; F475-E695 HydrophobicContact CD2-CG 3.98Å; F475-E695 HydrophobicContact CE2-CG 3.53Å; F475-E695 HydrophobicContact CZ-CG 3.95Å
476	R	98.6	Very high	98.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-45	176.3	179.5	51.7	163.2	-113	-1	111.2	F439 A466 S468 D470 T473 K478 V479 M480 D488	F439-R476 WeakPolarHBondContact O-CD 3.25Å; F439-R476 PolarHBondContact O-NH1 3.46Å; A466-R476 VanDerWaalsContact CB-NH1 3.29Å; A466-R476 VanDerWaalsContact CB-NH2 3.25Å; S468-R476 PolarHBondContact O-NH1 3.23Å; S468-R476 PolarHBondContact O-NH2 3.2Å; S468-R476 VanDerWaalsContact O-NH2 3.14Å; D470-R476 HydrophobicContact CB-CG 4.32Å; D470-R476 VanDerWaalsContact OD1-CG 3.27Å; D470-R476 WeakPolarHBondContact OD1-CG 3.47Å; T473-R476 PolarHBondContact O-N 3.08Å; T473-R476 VanDerWaalsContact O-N 3.15Å; R476-K478 PolarHBondContact O-N 3.3Å; R476-V479 PolarHBondContact O-N 3Å; R476-M480 HydrophobicContact CG-CG 4.47Å; R476-M480 HydrophobicContact CG-SD 3.81Å; R476-M480 WeakPolarHBondContact O-CB 3.08Å; R476-M480 VanDerWaalsContact O-CG 3.29Å; R476-M480 WeakPolarHBondContact O-CG 3.43Å; R476-M480 PolarHBondContact O-N 3.34Å; R476-D488 IonicContact NH2-OD2 3.19Å
477	V	98.7	Very high	98.3	Very high	78 Å²	78	46.1 Å²	46.1	47%	0.473	27%	0.27	S	S	.	.	H	α-helix	trans	-56.6	-46.7	177.4	174.5	0	0	0	0	111.7	T473 N474 M480 A481	T473-V477 WeakPolarHBondContact O-CG2 3.39Å; T473-V477 PolarHBondContact O-N 3.4Å; T473-V477 VanDerWaalsContact O-N 3.17Å; N474-V477 PolarHBondContact O-N 2.93Å; V477-M480 PolarHBondContact O-N 3.24Å; V477-A481 VanDerWaalsContact O-CB 3.31Å; V477-A481 WeakPolarHBondContact O-CB 3.45Å; V477-A481 PolarHBondContact O-N 2.94Å
478	K	98.8	Very high	98.3	Very high	40 Å²	40	47.4 Å²	47.4	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-50.1	-180	-179	179.3	164.4	66.2	0	111.5	Q449 S450 N474 F475 R476 M480 A481 E482	Q449-K478 HydrophobicContact CB-CD 4.32Å; Q449-K478 HydrophobicContact CG-CD 4.05Å; Q449-K478 WeakPolarHBondContact O-CE 3.27Å; S450-K478 VanDerWaalsContact OG-CE 3.22Å; S450-K478 WeakPolarHBondContact OG-CE 3.29Å; N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.03Å; F475-K478 PolarHBondContact O-N 3.36Å; R476-K478 PolarHBondContact O-N 3.3Å; K478-M480 VanDerWaalsContact C-N 3.31Å; K478-M480 PolarHBondContact O-N 3.48Å; K478-A481 PolarHBondContact O-N 3.48Å; K478-A481 VanDerWaalsContact O-N 3.17Å; K478-E482 WeakPolarHBondContact CE-OE2 3.42Å; K478-E482 HydrophobicContact CG-CG 4.36Å; K478-E482 WeakPolarHBondContact CG-OE1 3.4Å; K478-E482 IonicContact NZ-OE1 3.15Å; K478-E482 PolarHBondContact NZ-OE1 2.94Å; K478-E482 IonicContact NZ-OE2 3.13Å; K478-E482 PolarHBondContact NZ-OE2 3.31Å; K478-E482 WeakPolarHBondContact O-CB 3.28Å; K478-E482 WeakPolarHBondContact O-CG 3.36Å; K478-E482 PolarHBondContact O-N 3.45Å
479	V	98.8	Very high	98.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-39.5	-179.6	179.6	0	0	0	0	111.3	F439 Q449 P452 C464 F475 R476 A483 F486	F439-V479 HydrophobicContact CD1-CG1 3.98Å; F439-V479 HydrophobicContact CD1-CG2 4.34Å; F439-V479 HydrophobicContact CE1-CG1 4.19Å; F439-V479 HydrophobicContact CG-CG1 4.34Å; Q449-V479 HydrophobicContact CB-CG2 4.11Å; P452-V479 HydrophobicContact CG-CG1 4.31Å; C464-V479 HydrophobicContact CB-CG1 4.03Å; F475-V479 WeakPolarHBondContact O-CG2 3.36Å; F475-V479 PolarHBondContact O-N 3.36Å; R476-V479 PolarHBondContact O-N 3Å; V479-A483 VanDerWaalsContact O-CB 3.27Å; V479-A483 WeakPolarHBondContact O-CB 3.38Å; V479-A483 PolarHBondContact O-N 3.08Å; V479-F486 HydrophobicContact CB-CE2 4.35Å; V479-F486 HydrophobicContact CG1-CD2 4.11Å; V479-F486 HydrophobicContact CG1-CE2 3.79Å
480	M	98.7	Very high	98.2	Very high	81 Å²	81	43.8 Å²	43.8	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-38.9	174.8	-74.3	175.6	63.8	0	0	113	R476 V477 K478 F486	R476-M480 HydrophobicContact CG-CG 4.47Å; R476-M480 HydrophobicContact CG-SD 3.81Å; R476-M480 WeakPolarHBondContact O-CB 3.08Å; R476-M480 VanDerWaalsContact O-CG 3.29Å; R476-M480 WeakPolarHBondContact O-CG 3.43Å; R476-M480 PolarHBondContact O-N 3.34Å; V477-M480 PolarHBondContact O-N 3.24Å; K478-M480 VanDerWaalsContact C-N 3.31Å; K478-M480 PolarHBondContact O-N 3.48Å; M480-F486 HydrophobicContact CB-CD2 4.16Å; M480-F486 HydrophobicContact CB-CG 4.2Å; M480-F486 HydrophobicContact CG-CB 4.31Å; M480-F486 HydrophobicContact CG-CD1 3.61Å; M480-F486 HydrophobicContact CG-CD2 3.55Å; M480-F486 HydrophobicContact CG-CE1 3.73Å; M480-F486 HydrophobicContact CG-CE2 3.65Å; M480-F486 HydrophobicContact CG-CG 3.53Å; M480-F486 HydrophobicContact CG-CZ 3.74Å; M480-F486 HydrophobicContact SD-CD1 4.41Å; M480-F486 HydrophobicContact SD-CE1 4.27Å
481	A	98.6	Very high	98	Very high	81 Å²	81	46.4 Å²	46.4	67%	0.669	26%	0.264	S	S	*	.	H	α-helix	trans	-77.3	-30.3	-178	0	0	0	0	0	113.2	V477 K478	V477-A481 VanDerWaalsContact O-CB 3.31Å; V477-A481 WeakPolarHBondContact O-CB 3.45Å; V477-A481 PolarHBondContact O-N 2.94Å; K478-A481 PolarHBondContact O-N 3.48Å; K478-A481 VanDerWaalsContact O-N 3.17Å
482	E	98.7	Very high	97.6	Very high	74 Å²	74	44.9 Å²	44.9	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-101.8	-25.3	-170.6	-71.6	-176.4	-170.8	0	0	114.5	K478	K478-E482 WeakPolarHBondContact CE-OE2 3.42Å; K478-E482 HydrophobicContact CG-CG 4.36Å; K478-E482 WeakPolarHBondContact CG-OE1 3.4Å; K478-E482 IonicContact NZ-OE1 3.15Å; K478-E482 PolarHBondContact NZ-OE1 2.94Å; K478-E482 IonicContact NZ-OE2 3.13Å; K478-E482 PolarHBondContact NZ-OE2 3.31Å; K478-E482 WeakPolarHBondContact O-CB 3.28Å; K478-E482 WeakPolarHBondContact O-CG 3.36Å; K478-E482 PolarHBondContact O-N 3.45Å
483	A	98.6	Very high	96.8	Very high	10 Å²	10	47.3 Å²	47.3	8%	0.083	26%	0.261	C	S	.	.	S	Bend	trans	-66.1	145.8	169.7	0	0	0	0	0	110.2	P452 V462 C464 V479 H485	P452-A483 HydrophobicContact CB-CB 4.29Å; V462-A483 HydrophobicContact CG1-CB 4.49Å; C464-A483 HydrophobicContact CB-CB 4.17Å; V479-A483 VanDerWaalsContact O-CB 3.27Å; V479-A483 WeakPolarHBondContact O-CB 3.38Å; V479-A483 PolarHBondContact O-N 3.08Å; A483-H485 PolarHBondContact O-N 3.35Å
484	N	98.8	Very high	96.1	Very high	73 Å²	73	49.3 Å²	49.3	39%	0.39	28%	0.275	S	S	.	.	S	Bend	trans	-62.2	-36.7	174	-57.6	119.5	0	0	0	110.9	E461 V462	E461-N484 WeakPolarHBondContact CA-OD1 3.45Å; E461-N484 HydrophobicContact CG-CB 4.25Å; V462-N484 PolarHBondContact N-OD1 3.35Å; V462-N484 WeakPolarHBondContact O-CB 3.47Å; V462-N484 PolarHBondContact O-N 2.92Å
485	H	98.9	Very high	95.6	Very high	70 Å²	70	48.8 Å²	48.8	32%	0.324	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136	177.1	-55.5	-82.1	0	0	0	110.8	E461 V462 F463 C464 A483 I487	E461-H485 IonicContact OE1-CD2 2.7Å; E461-H485 IonicContact OE1-CE1 2.84Å; E461-H485 IonicContact OE1-NE2 3.89Å; E461-H485 PolarHBondContact OE1-NE2 2.84Å; V462-H485 PolarHBondContact O-N 3.49Å; F463-H485 CarbonylContact C-O 3.56Å; F463-H485 WeakPolarHBondContact CA-O 3.36Å; F463-H485 HydrophobicContact CD1-CB 3.46Å; F463-H485 VanDerWaalsContact CD1-CB 3.46Å; F463-H485 AromaticContact CD1-CD2 3.87Å; F463-H485 AromaticContact CD1-CG 3.82Å; F463-H485 HydrophobicContact CE1-CB 3.66Å; F463-H485 AromaticContact CE1-CD2 3.35Å; F463-H485 WeakPolarHBondContact CE1-CD2 3.49Å; F463-H485 AromaticContact CE1-CG 3.47Å; F463-H485 VanDerWaalsContact CE1-CG 3.47Å; F463-H485 AromaticContact CE2-CD2 3.66Å; F463-H485 HydrophobicContact CG-CB 4.03Å; F463-H485 HydrophobicContact CZ-CB 4.41Å; F463-H485 AromaticContact CZ-CD2 3.23Å; F463-H485 WeakPolarHBondContact CZ-CD2 3.48Å; F463-H485 AromaticContact CZ-CG 3.87Å; F463-H485 AromaticContact CZ-NE2 3.7Å; C464-H485 PolarHBondContact N-O 2.91Å; A483-H485 PolarHBondContact O-N 3.35Å; H485-I487 HydrophobicContact CB-CD1 3.98Å
486	F	98.9	Very high	94.9	Very high	47 Å²	47	48.9 Å²	48.9	21%	0.206	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.2	174.7	-165.4	-79.8	0	0	0	110.6	F439 C464 A466 V479 M480	F439-F486 HydrophobicContact CB-CZ 4.46Å; F439-F486 HydrophobicContact CD2-CE2 4.27Å; F439-F486 HydrophobicContact CD2-CZ 4.36Å; C464-F486 HydrophobicContact CB-CD2 3.62Å; C464-F486 HydrophobicContact CB-CE2 3.88Å; C464-F486 HydrophobicContact CB-CG 4.49Å; A466-F486 HydrophobicContact CB-CE1 3.83Å; A466-F486 HydrophobicContact CB-CZ 3.64Å; V479-F486 HydrophobicContact CB-CE2 4.35Å; V479-F486 HydrophobicContact CG1-CD2 4.11Å; V479-F486 HydrophobicContact CG1-CE2 3.79Å; M480-F486 HydrophobicContact CB-CD2 4.16Å; M480-F486 HydrophobicContact CB-CG 4.2Å; M480-F486 HydrophobicContact CG-CB 4.31Å; M480-F486 HydrophobicContact CG-CD1 3.61Å; M480-F486 HydrophobicContact CG-CD2 3.55Å; M480-F486 HydrophobicContact CG-CE1 3.73Å; M480-F486 HydrophobicContact CG-CE2 3.65Å; M480-F486 HydrophobicContact CG-CG 3.53Å; M480-F486 HydrophobicContact CG-CZ 3.74Å; M480-F486 HydrophobicContact SD-CD1 4.41Å; M480-F486 HydrophobicContact SD-CE1 4.27Å
487	I	98.9	Very high	94.5	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.5	-172.8	-58.3	88.2	0	0	0	109	F463 C464 Y465 A466 H485 L489 R501	F463-I487 HydrophobicContact CB-CD1 4.35Å; F463-I487 HydrophobicContact CD1-CD1 3.82Å; C464-I487 PolarHBondContact O-N 3.4Å; Y465-I487 CarbonylContact C-O 3.59Å; Y465-I487 WeakPolarHBondContact CA-O 3.32Å; Y465-I487 HydrophobicContact CD1-CB 3.67Å; Y465-I487 HydrophobicContact CD1-CD1 4.15Å; Y465-I487 HydrophobicContact CD1-CG1 4.19Å; Y465-I487 HydrophobicContact CD1-CG2 3.96Å; Y465-I487 HydrophobicContact CE1-CB 3.91Å; Y465-I487 HydrophobicContact CE1-CD1 3.76Å; Y465-I487 HydrophobicContact CE1-CG1 3.91Å; Y465-I487 HydrophobicContact CE1-CG2 4.17Å; A466-I487 PolarHBondContact N-O 3.48Å; H485-I487 HydrophobicContact CB-CD1 3.98Å; I487-L489 HydrophobicContact CG2-CD2 3.77Å; I487-L489 HydrophobicContact CG2-CG 4.29Å; I487-L489 PolarHBondContact O-N 3.48Å; I487-R501 HydrophobicContact CG2-CG 4.21Å
488	D	98.6	Very high	94.3	Very high	45 Å²	45	51.8 Å²	51.8	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	94.9	175.6	-170.9	-3.8	0	0	0	111	R476 S490 Q491	R476-D488 IonicContact NH2-OD2 3.19Å; D488-S490 VanDerWaalsContact C-N 3.26Å; D488-S490 VanDerWaalsContact CG-OG 3.28Å; D488-S490 PolarHBondContact O-N 3.48Å; D488-S490 WeakPolarHBondContact OD1-CB 3.41Å; D488-S490 PolarHBondContact OD1-N 3.16Å; D488-S490 PolarHBondContact OD1-OG 3.36Å; D488-S490 PolarHBondContact OD2-OG 3.08Å; D488-Q491 HydrophobicContact CB-CG 4.41Å
489	L	97.3	Very high	94.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-77.7	-8.8	175.8	-61.9	-176	0	0	0	112.9	Y465 A466 L467 I487 Q491 I492 A498 R501 I502 R521 L524	Y465-L489 HydrophobicContact CD1-CD1 3.9Å; Y465-L489 HydrophobicContact CD1-CD2 4.32Å; Y465-L489 HydrophobicContact CD1-CG 4.08Å; Y465-L489 HydrophobicContact CG-CD1 4.18Å; A466-L489 WeakPolarHBondContact O-CA 3.36Å; A466-L489 WeakPolarHBondContact O-CB 3.32Å; A466-L489 PolarHBondContact O-N 3.36Å; L467-L489 HydrophobicContact CD2-CB 4.16Å; L467-L489 HydrophobicContact CD2-CD1 4.12Å; I487-L489 HydrophobicContact CG2-CD2 3.77Å; I487-L489 HydrophobicContact CG2-CG 4.29Å; I487-L489 PolarHBondContact O-N 3.48Å; L489-Q491 PolarHBondContact O-N 3.3Å; L489-I492 HydrophobicContact CD2-CD1 4.1Å; L489-I492 CarbonylContact O-C 3.28Å; L489-I492 PolarHBondContact O-N 3.25Å; L489-I492 VanDerWaalsContact O-O 3.12Å; L489-A498 HydrophobicContact CD1-CB 4.43Å; L489-A498 HydrophobicContact CD2-CB 4.15Å; L489-R501 HydrophobicContact CD2-CG 4.43Å; L489-I502 HydrophobicContact CD1-CD1 4.1Å; L489-I502 HydrophobicContact CD1-CG1 4.4Å; L489-R521 PolarHBondContact O-NH1 3.16Å; L489-L524 HydrophobicContact CD1-CD1 3.93Å
490	S	92.6	Very high	94.3	Very high	31 Å²	31	51.9 Å²	51.9	22%	0.217	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-62.8	-28.2	171.7	78.4	0	0	0	0	111.5	A466 L467 D488 I492	A466-S490 PolarHBondContact O-N 3.02Å; L467-S490 WeakPolarHBondContact O-CB 3.44Å; D488-S490 VanDerWaalsContact C-N 3.26Å; D488-S490 VanDerWaalsContact CG-OG 3.28Å; D488-S490 PolarHBondContact O-N 3.48Å; D488-S490 WeakPolarHBondContact OD1-CB 3.41Å; D488-S490 PolarHBondContact OD1-N 3.16Å; D488-S490 PolarHBondContact OD1-OG 3.36Å; D488-S490 PolarHBondContact OD2-OG 3.08Å; S490-I492 VanDerWaalsContact C-N 3.27Å; S490-I492 PolarHBondContact O-N 3.29Å
491	Q	93.1	Very high	94.3	Very high	138 Å²	138	52.1 Å²	52.1	65%	0.645	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-78.1	-8.8	173.4	-55.9	-55.5	-46.6	0	0	113.4	D488 L489 P493	D488-Q491 HydrophobicContact CB-CG 4.41Å; L489-Q491 PolarHBondContact O-N 3.3Å; Q491-P493 VanDerWaalsContact C-CD 3.45Å; Q491-P493 VanDerWaalsContact O-CD 3.29Å; Q491-P493 WeakPolarHBondContact O-CD 3.17Å
492	I	90.8	Very high	94.3	Very high	48 Å²	48	48.2 Å²	48.2	25%	0.246	25%	0.247	C	C	.	.			trans	-119.5	76	178.8	-47.9	179.5	0	0	0	108.5	L489 S490 C494 K497 A498 R521	L489-I492 HydrophobicContact CD2-CD1 4.1Å; L489-I492 CarbonylContact O-C 3.28Å; L489-I492 PolarHBondContact O-N 3.25Å; L489-I492 VanDerWaalsContact O-O 3.12Å; S490-I492 VanDerWaalsContact C-N 3.27Å; S490-I492 PolarHBondContact O-N 3.29Å; I492-C494 VanDerWaalsContact C-N 3.27Å; I492-C494 PolarHBondContact O-N 2.96Å; I492-K497 HydrophobicContact CG2-CB 3.77Å; I492-A498 HydrophobicContact CB-CB 4.38Å; I492-A498 HydrophobicContact CG2-CB 4.02Å; I492-R521 PolarHBondContact O-NH1 2.99Å; I492-R521 PolarHBondContact O-NH2 3.27Å
493	P	79.6	Confident	94.3	Very high	104 Å²	104	47.4 Å²	47.4	68%	0.675	24%	0.243	S	C	*	.			trans	-67.5	-28	-174	25.8	-34.8	0	0	0	112.8	Q491 N495 R521	Q491-P493 VanDerWaalsContact C-CD 3.45Å; Q491-P493 VanDerWaalsContact O-CD 3.29Å; Q491-P493 WeakPolarHBondContact O-CD 3.17Å; P493-N495 PolarHBondContact O-N 3.41Å; P493-R521 PolarHBondContact O-NH2 3.3Å
494	C	84.4	Confident	94.3	Very high	57 Å²	57	53.7 Å²	53.7	39%	0.385	27%	0.27	S	S	.	.			trans	-68.9	113.5	175.5	179.1	0	0	0	0	110.7	I492 G496 K497 A498	I492-C494 VanDerWaalsContact C-N 3.27Å; I492-C494 PolarHBondContact O-N 2.96Å; C494-G496 VanDerWaalsContact C-N 3.3Å; C494-G496 PolarHBondContact O-N 2.95Å; C494-K497 HydrophobicContact CB-CB 4.26Å; C494-K497 HydrophobicContact CB-CD 4.34Å; C494-K497 HydrophobicContact CB-CG 4.27Å; C494-K497 PolarHBondContact O-N 3.46Å; C494-A498 PolarHBondContact O-N 2.96Å
495	N	87.3	Confident	94.3	Very high	37 Å²	37	51.2 Å²	51.2	20%	0.198	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-37.6	-179.4	-67.9	-30.7	0	0	0	113.2	P493 A498 A499 R521 E523 L524	P493-N495 PolarHBondContact O-N 3.41Å; N495-A498 PolarHBondContact O-N 3.31Å; N495-A499 WeakPolarHBondContact O-CB 3.17Å; N495-A499 PolarHBondContact O-N 3.23Å; N495-R521 VanDerWaalsContact OD1-CZ 3.31Å; N495-R521 PolarHBondContact OD1-NE 3.25Å; N495-R521 PolarHBondContact OD1-NH2 2.91Å; N495-E523 HydrophobicContact CB-CB 4.09Å; N495-E523 VanDerWaalsContact ND2-CB 3.35Å; N495-E523 WeakPolarHBondContact ND2-CB 3.47Å; N495-L524 HydrophobicContact CB-CD2 4.14Å
496	G	85.2	Confident	94.3	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-46.3	176.6	0	0	0	0	0	113	C494 A499 D500	C494-G496 VanDerWaalsContact C-N 3.3Å; C494-G496 PolarHBondContact O-N 2.95Å; G496-A499 PolarHBondContact O-N 3.19Å; G496-D500 VanDerWaalsContact O-CG 3.24Å; G496-D500 PolarHBondContact O-N 3.3Å
497	K	89.5	Confident	94.3	Very high	141 Å²	141	46.3 Å²	46.3	61%	0.613	24%	0.238	S	C	*	.	H	α-helix	trans	-69.2	-36.5	177.5	-68.5	-175	178.9	-177.8	0	112.4	I492 C494 D500 R501	I492-K497 HydrophobicContact CG2-CB 3.77Å; C494-K497 HydrophobicContact CB-CB 4.26Å; C494-K497 HydrophobicContact CB-CD 4.34Å; C494-K497 HydrophobicContact CB-CG 4.27Å; C494-K497 PolarHBondContact O-N 3.46Å; K497-D500 PolarHBondContact O-N 3.43Å; K497-R501 PolarHBondContact O-N 3.41Å
498	A	95.5	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-40.1	175.9	0	0	0	0	0	111.6	L489 I492 C494 N495 R501 I502 L524	L489-A498 HydrophobicContact CD1-CB 4.43Å; L489-A498 HydrophobicContact CD2-CB 4.15Å; I492-A498 HydrophobicContact CB-CB 4.38Å; I492-A498 HydrophobicContact CG2-CB 4.02Å; C494-A498 PolarHBondContact O-N 2.96Å; N495-A498 PolarHBondContact O-N 3.31Å; A498-R501 WeakPolarHBondContact O-CB 3.45Å; A498-R501 PolarHBondContact O-N 2.86Å; A498-I502 WeakPolarHBondContact O-CG1 3.31Å; A498-I502 PolarHBondContact O-N 3.22Å; A498-I502 VanDerWaalsContact O-N 3.15Å; A498-L524 HydrophobicContact CB-CD2 3.55Å
499	A	98.1	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-40.3	173.1	0	0	0	0	0	112.3	Y417 N495 G496 R501 I502 H503 L527 P529	Y417-A499 HydrophobicContact CE2-CB 4.47Å; Y417-A499 WeakPolarHBondContact OH-CB 3.15Å; N495-A499 WeakPolarHBondContact O-CB 3.17Å; N495-A499 PolarHBondContact O-N 3.23Å; G496-A499 PolarHBondContact O-N 3.19Å; A499-R501 VanDerWaalsContact C-N 3.26Å; A499-R501 PolarHBondContact O-N 3.03Å; A499-I502 PolarHBondContact O-N 3.3Å; A499-H503 WeakPolarHBondContact O-CB 3.37Å; A499-H503 PolarHBondContact O-N 2.82Å; A499-L527 HydrophobicContact CB-CB 4Å; A499-L527 HydrophobicContact CB-CD1 3.56Å; A499-L527 HydrophobicContact CB-CG 4.4Å; A499-P529 HydrophobicContact CB-CB 4.43Å; A499-P529 HydrophobicContact CB-CG 4.46Å; A499-P529 WeakPolarHBondContact O-CB 3.4Å
500	D	97.9	Very high	94.4	Very high	42 Å²	42	44 Å²	44	23%	0.225	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-42.1	173	-68.2	-33.7	0	0	0	111.3	K414 Y417 G496 K497 H503 Q504	K414-D500 IonicContact NZ-OD1 2.79Å; K414-D500 PolarHBondContact NZ-OD1 2.84Å; K414-D500 IonicContact NZ-OD2 3.46Å; K414-D500 PolarHBondContact NZ-OD2 3.01Å; Y417-D500 PolarHBondContact OH-OD1 3.43Å; Y417-D500 VanDerWaalsContact OH-OD1 3.12Å; G496-D500 VanDerWaalsContact O-CG 3.24Å; G496-D500 PolarHBondContact O-N 3.3Å; K497-D500 PolarHBondContact O-N 3.43Å; D500-H503 PolarHBondContact O-N 3.48Å; D500-Q504 WeakPolarHBondContact O-CB 3.41Å; D500-Q504 WeakPolarHBondContact O-CG 3.49Å; D500-Q504 PolarHBondContact O-N 3.4Å
501	R	98.7	Very high	94.7	Very high	86 Å²	86	42.5 Å²	42.5	33%	0.325	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-47	177.7	172.7	59.9	-153.4	-109.1	9.5	111.8	I487 L489 K497 A498 A499 H503 Q504 D505	I487-R501 HydrophobicContact CG2-CG 4.21Å; L489-R501 HydrophobicContact CD2-CG 4.43Å; K497-R501 PolarHBondContact O-N 3.41Å; A498-R501 WeakPolarHBondContact O-CB 3.45Å; A498-R501 PolarHBondContact O-N 2.86Å; A499-R501 VanDerWaalsContact C-N 3.26Å; A499-R501 PolarHBondContact O-N 3.03Å; R501-H503 VanDerWaalsContact C-N 3.31Å; R501-H503 PolarHBondContact O-N 3.07Å; R501-Q504 PolarHBondContact O-N 2.96Å; R501-D505 IonicContact CZ-OD1 2.92Å; R501-D505 IonicContact CZ-OD2 2.8Å; R501-D505 IonicContact NE-OD1 3.92Å; R501-D505 PolarHBondContact NE-OD1 3.08Å; R501-D505 IonicContact NE-OD2 3.16Å; R501-D505 PolarHBondContact NE-OD2 3.4Å; R501-D505 IonicContact NH2-OD1 2.7Å; R501-D505 PolarHBondContact NH2-OD1 2.8Å; R501-D505 IonicContact NH2-OD2 3.68Å; R501-D505 PolarHBondContact NH2-OD2 2.54Å; R501-D505 PolarHBondContact O-N 3.05Å; R501-D505 VanDerWaalsContact O-N 3.15Å
502	I	98.8	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-43.9	176.5	-65.1	166.8	0	0	0	110.5	Y465 L489 A498 A499 D505 I507 L510 L524 P529	Y465-I502 HydrophobicContact CD1-CG1 3.97Å; Y465-I502 HydrophobicContact CE1-CG1 3.73Å; Y465-I502 HydrophobicContact CE2-CG1 4.29Å; Y465-I502 HydrophobicContact CE2-CG2 4.46Å; Y465-I502 HydrophobicContact CG-CG1 4.36Å; L489-I502 HydrophobicContact CD1-CD1 4.1Å; L489-I502 HydrophobicContact CD1-CG1 4.4Å; A498-I502 WeakPolarHBondContact O-CG1 3.31Å; A498-I502 PolarHBondContact O-N 3.22Å; A498-I502 VanDerWaalsContact O-N 3.15Å; A499-I502 PolarHBondContact O-N 3.3Å; I502-D505 PolarHBondContact O-N 3.4Å; I502-I507 HydrophobicContact CG2-CB 4.28Å; I502-I507 HydrophobicContact CG2-CG1 3.93Å; I502-L510 HydrophobicContact CD1-CD2 4.37Å; I502-L510 HydrophobicContact CG2-CD1 3.74Å; I502-L510 HydrophobicContact CG2-CD2 4.11Å; I502-L524 HydrophobicContact CD1-CD1 4.46Å; I502-P529 HydrophobicContact CB-CB 4.14Å; I502-P529 HydrophobicContact CB-CG 4.14Å; I502-P529 HydrophobicContact CD1-CG 4.43Å; I502-P529 HydrophobicContact CG2-CB 3.97Å; I502-P529 HydrophobicContact CG2-CG 3.81Å
503	H	98.8	Very high	95.3	Very high	56 Å²	56	33.8 Å²	33.8	26%	0.259	17%	0.174	S	C	.	.	H	α-helix	trans	-64.4	-42	179.5	177.7	51	0	0	0	112.2	Y417 E418 A499 D500 R501 D505 G506 P529	Y417-H503 HydrophobicContact CD1-CB 3.8Å; Y417-H503 AromaticContact CD1-CD2 3.27Å; Y417-H503 WeakPolarHBondContact CD1-CD2 3.38Å; Y417-H503 AromaticContact CD1-CG 3.36Å; Y417-H503 AromaticContact CD1-ND1 3.96Å; Y417-H503 AromaticContact CD1-NE2 3.84Å; Y417-H503 HydrophobicContact CE1-CB 3.88Å; Y417-H503 AromaticContact CE1-CD2 3.82Å; Y417-H503 AromaticContact CE1-CG 3.9Å; Y417-H503 HydrophobicContact CG-CB 4.37Å; Y417-H503 AromaticContact CG-CG 3.95Å; E418-H503 PolarHBondContact O-CE1 3.29Å; A499-H503 WeakPolarHBondContact O-CB 3.37Å; A499-H503 PolarHBondContact O-N 2.82Å; D500-H503 PolarHBondContact O-N 3.48Å; R501-H503 VanDerWaalsContact C-N 3.31Å; R501-H503 PolarHBondContact O-N 3.07Å; H503-D505 VanDerWaalsContact C-N 3.29Å; H503-D505 PolarHBondContact O-N 3.29Å; H503-G506 WeakPolarHBondContact O-CA 3.38Å; H503-G506 PolarHBondContact O-N 2.91Å; H503-P529 HydrophobicContact CB-CB 4.05Å
504	Q	98.6	Very high	96.2	Very high	142 Å²	142	28.9 Å²	28.9	66%	0.664	14%	0.142	S	C	*	.	H	α-helix	trans	-63.1	-32.8	176.9	-73.7	163.6	14.2	0	0	113.1	D500 R501 G506	D500-Q504 WeakPolarHBondContact O-CB 3.41Å; D500-Q504 WeakPolarHBondContact O-CG 3.49Å; D500-Q504 PolarHBondContact O-N 3.4Å; R501-Q504 PolarHBondContact O-N 2.96Å; Q504-G506 PolarHBondContact O-N 3.46Å
505	D	98.7	Very high	96.9	Very high	21 Å²	21	26.2 Å²	26.2	11%	0.112	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.1	173.4	-65.9	-36	0	0	0	111.8	R431 F463 Y465 R501 I502 H503 I507	R431-D505 WeakPolarHBondContact CD-O 3.09Å; R431-D505 PolarHBondContact NH1-O 2.95Å; F463-D505 HydrophobicContact CD1-CB 3.99Å; F463-D505 HydrophobicContact CE1-CB 3.69Å; F463-D505 HydrophobicContact CZ-CB 4.31Å; Y465-D505 WeakPolarHBondContact CE1-OD2 3.41Å; Y465-D505 VanDerWaalsContact OH-CB 3.25Å; Y465-D505 WeakPolarHBondContact OH-CB 3.43Å; Y465-D505 PolarHBondContact OH-OD2 3.16Å; R501-D505 IonicContact CZ-OD1 2.92Å; R501-D505 IonicContact CZ-OD2 2.8Å; R501-D505 IonicContact NE-OD1 3.92Å; R501-D505 PolarHBondContact NE-OD1 3.08Å; R501-D505 IonicContact NE-OD2 3.16Å; R501-D505 PolarHBondContact NE-OD2 3.4Å; R501-D505 IonicContact NH2-OD1 2.7Å; R501-D505 PolarHBondContact NH2-OD1 2.8Å; R501-D505 IonicContact NH2-OD2 3.68Å; R501-D505 PolarHBondContact NH2-OD2 2.54Å; R501-D505 PolarHBondContact O-N 3.05Å; R501-D505 VanDerWaalsContact O-N 3.15Å; I502-D505 PolarHBondContact O-N 3.4Å; H503-D505 VanDerWaalsContact C-N 3.29Å; H503-D505 PolarHBondContact O-N 3.29Å; D505-I507 HydrophobicContact CB-CD1 4.21Å; D505-I507 HydrophobicContact CB-CG1 4.31Å
506	G	98.5	Very high	97.4	Very high	13 Å²	13	25.2 Å²	25.2	13%	0.134	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	37.6	174.8	0	0	0	0	0	113.5	R431 H503 Q504	R431-G506 WeakPolarHBondContact CD-O 3.31Å; H503-G506 WeakPolarHBondContact O-CA 3.38Å; H503-G506 PolarHBondContact O-N 2.91Å; Q504-G506 PolarHBondContact O-N 3.46Å
507	I	98.9	Very high	97.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.128	C	C	.	.			trans	-63.4	133.2	-178.6	-57.8	-54.3	0	0	0	111.4	R431 F463 Y465 I502 D505 I509 L510 A530 P531	R431-I507 HydrophobicContact CB-CD1 4.15Å; F463-I507 HydrophobicContact CB-CD1 3.85Å; F463-I507 HydrophobicContact CD1-CD1 4.11Å; F463-I507 HydrophobicContact CD2-CD1 3.45Å; F463-I507 VanDerWaalsContact CD2-CD1 3.45Å; F463-I507 HydrophobicContact CE2-CD1 3.98Å; F463-I507 HydrophobicContact CG-CD1 3.54Å; Y465-I507 HydrophobicContact CE2-CD1 4.15Å; Y465-I507 HydrophobicContact CE2-CG1 4.04Å; Y465-I507 WeakPolarHBondContact OH-CD1 3.21Å; Y465-I507 VanDerWaalsContact OH-CG1 3.31Å; Y465-I507 WeakPolarHBondContact OH-CG1 3.34Å; I502-I507 HydrophobicContact CG2-CB 4.28Å; I502-I507 HydrophobicContact CG2-CG1 3.93Å; D505-I507 HydrophobicContact CB-CD1 4.21Å; D505-I507 HydrophobicContact CB-CG1 4.31Å; I507-I509 WeakPolarHBondContact CG2-O 3.37Å; I507-L510 HydrophobicContact CG2-CB 4.15Å; I507-L510 HydrophobicContact CG2-CD1 4.03Å; I507-A530 HydrophobicContact CB-CB 4.28Å; I507-A530 HydrophobicContact CG2-CB 4.07Å; I507-A530 WeakPolarHBondContact O-CB 3.33Å; I507-P531 WeakPolarHBondContact O-CD 3.46Å
508	H	98.9	Very high	97.7	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.019	14%	0.138	C	C	.	.	S	Bend	trans	-93.2	-45.5	176	-53.8	87.6	0	0	0	111.1	S426 L430 R431 P531 I532 W898	S426-H508 PolarHBondContact OG-CE1 3.47Å; L430-H508 HydrophobicContact CD1-CB 3.49Å; L430-H508 VanDerWaalsContact CD1-CB 3.49Å; L430-H508 HydrophobicContact CG-CB 4.33Å; R431-H508 VanDerWaalsContact CB-ND1 3.33Å; R431-H508 WeakPolarHBondContact CB-ND1 3.43Å; R431-H508 PolarHBondContact N-ND1 3.24Å; R431-H508 PolarHBondContact O-N 2.94Å; H508-P531 WeakPolarHBondContact O-CD 3.37Å; H508-P531 VanDerWaalsContact O-CG 3.3Å; H508-P531 WeakPolarHBondContact O-CG 3.27Å; H508-I532 PolarHBondContact O-N 3.18Å; H508-W898 HydrophobicContact CB-CE3 4.06Å; H508-W898 HydrophobicContact CB-CZ3 4.05Å; H508-W898 AromaticContact CD2-CH2 3.54Å; H508-W898 AromaticContact CD2-CZ3 3.67Å
509	I	98.9	Very high	97.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.9	177	-56.1	-176.3	0	0	0	109	L430 R431 V432 G433 I507 V511 I532 Y894 M897	L430-I509 HydrophobicContact CD2-CD1 3.81Å; L430-I509 HydrophobicContact CD2-CG1 4.42Å; R431-I509 PolarHBondContact O-N 3.18Å; V432-I509 CarbonylContact C-O 3.53Å; V432-I509 WeakPolarHBondContact CA-O 3.35Å; V432-I509 HydrophobicContact CG2-CB 4.49Å; G433-I509 PolarHBondContact N-O 3.11Å; I507-I509 WeakPolarHBondContact CG2-O 3.37Å; I509-V511 HydrophobicContact CG2-CG2 4.06Å; I509-I532 WeakPolarHBondContact CA-O 3.4Å; I509-I532 HydrophobicContact CG1-CB 4.16Å; I509-I532 HydrophobicContact CG1-CD1 4.2Å; I509-I532 HydrophobicContact CG1-CG2 4.38Å; I509-I532 HydrophobicContact CG2-CG2 4.4Å; I509-Y894 HydrophobicContact CD1-CD1 3.71Å; I509-Y894 HydrophobicContact CD1-CG 3.92Å; I509-Y894 WeakPolarHBondContact CD1-O 3.3Å; I509-Y894 HydrophobicContact CG2-CD1 4.14Å; I509-Y894 HydrophobicContact CG2-CE1 4.09Å; I509-M897 HydrophobicContact CD1-CB 4.21Å
510	L	98.9	Very high	97.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.2	175.2	-164.7	71.7	0	0	0	110.1	G433 V435 Y465 I502 I507 F525 P529 A530 I532 Q533 A534	G433-L510 CarbonylContact O-C 3.38Å; V435-L510 HydrophobicContact CG2-CD1 3.57Å; V435-L510 HydrophobicContact CG2-CD2 4.31Å; V435-L510 HydrophobicContact CG2-CG 3.85Å; Y465-L510 HydrophobicContact CD2-CD1 4.23Å; Y465-L510 HydrophobicContact CE2-CD1 4.15Å; I502-L510 HydrophobicContact CD1-CD2 4.37Å; I502-L510 HydrophobicContact CG2-CD1 3.74Å; I502-L510 HydrophobicContact CG2-CD2 4.11Å; I507-L510 HydrophobicContact CG2-CB 4.15Å; I507-L510 HydrophobicContact CG2-CD1 4.03Å; L510-F525 HydrophobicContact CB-CE1 4.17Å; L510-F525 HydrophobicContact CD2-CD1 3.87Å; L510-F525 HydrophobicContact CD2-CE1 3.58Å; L510-F525 HydrophobicContact CD2-CZ 4.09Å; L510-F525 HydrophobicContact CG-CD1 4.32Å; L510-F525 HydrophobicContact CG-CE1 3.59Å; L510-F525 HydrophobicContact CG-CZ 4.06Å; L510-P529 HydrophobicContact CD2-CG 3.98Å; L510-A530 HydrophobicContact CB-CB 3.71Å; L510-I532 PolarHBondContact N-O 3.39Å; L510-Q533 HydrophobicContact CB-CG 4.39Å; L510-Q533 CarbonylContact O-C 3.56Å; L510-Q533 VanDerWaalsContact O-CA 3.24Å; L510-Q533 WeakPolarHBondContact O-CA 3.3Å; L510-A534 PolarHBondContact O-N 2.6Å
511	V	98.9	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119	-170.9	-174.7	0	0	0	0	109.6	V432 G433 Y434 V435 I509 M513 A534 W536 Y894	V432-V511 HydrophobicContact CG1-CG2 4.01Å; G433-V511 PolarHBondContact O-N 2.99Å; Y434-V511 HydrophobicContact CD1-CB 3.81Å; Y434-V511 HydrophobicContact CD1-CG1 3.98Å; Y434-V511 HydrophobicContact CD1-CG2 4.11Å; Y434-V511 HydrophobicContact CE1-CB 4.22Å; Y434-V511 HydrophobicContact CE1-CG1 4.23Å; Y434-V511 HydrophobicContact CE1-CG2 4.08Å; V435-V511 PolarHBondContact N-O 2.99Å; I509-V511 HydrophobicContact CG2-CG2 4.06Å; V511-M513 HydrophobicContact CG1-CG 4.23Å; V511-A534 CarbonylContact C-O 3.27Å; V511-A534 WeakPolarHBondContact CA-O 3.25Å; V511-W536 HydrophobicContact CG1-CB 3.52Å; V511-W536 HydrophobicContact CG1-CD2 4.33Å; V511-W536 HydrophobicContact CG1-CE3 3.84Å; V511-W536 HydrophobicContact CG1-CG 4.27Å; V511-Y894 HydrophobicContact CG2-CE1 4.27Å; V511-Y894 WeakPolarHBondContact CG2-OH 3.37Å
512	N	98.9	Very high	97.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.7	175.3	-170.5	-32.6	0	0	0	110	N514 G515 N522 F525 A534 M535 W536 M548	N512-N514 PolarHBondContact OD1-N 2.67Å; N512-G515 PolarHBondContact OD1-N 3.2Å; N512-N522 PolarHBondContact ND2-OD1 2.81Å; N512-F525 VanDerWaalsContact CA-CZ 3.41Å; N512-F525 HydrophobicContact CB-CD1 4.2Å; N512-F525 HydrophobicContact CB-CD2 4.35Å; N512-F525 HydrophobicContact CB-CE1 3.63Å; N512-F525 HydrophobicContact CB-CE2 3.81Å; N512-F525 HydrophobicContact CB-CZ 3.42Å; N512-F525 VanDerWaalsContact CB-CZ 3.42Å; N512-F525 WeakPolarHBondContact ND2-CD2 3.21Å; N512-A534 PolarHBondContact N-O 3.24Å; N512-M535 HydrophobicContact CB-SD 3.78Å; N512-W536 PolarHBondContact O-N 2.88Å; N512-M548 HydrophobicContact CB-CE 3.73Å; N512-M548 HydrophobicContact CB-SD 4.31Å
513	M	98.8	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-106.5	12.9	179.4	-57.9	173.1	61.4	0	0	113.3	Y434 V435 F439 T444 M448 V511 W536 G538	Y434-M513 HydrophobicContact CD1-SD 3.93Å; Y434-M513 HydrophobicContact CG-SD 4.31Å; V435-M513 WeakPolarHBondContact O-CB 3.29Å; V435-M513 PolarHBondContact O-N 3.46Å; F439-M513 HydrophobicContact CE1-SD 4.42Å; F439-M513 HydrophobicContact CZ-SD 4.3Å; T444-M513 HydrophobicContact CG2-CE 3.42Å; T444-M513 VanDerWaalsContact CG2-CE 3.42Å; M448-M513 HydrophobicContact CE-CE 3.53Å; M448-M513 HydrophobicContact CE-SD 4Å; M448-M513 HydrophobicContact CG-CE 3.57Å; M448-M513 HydrophobicContact SD-CE 3.64Å; V511-M513 HydrophobicContact CG1-CG 4.23Å; M513-W536 WeakPolarHBondContact CA-O 3.36Å; M513-W536 HydrophobicContact CE-CE3 4.28Å; M513-W536 HydrophobicContact CE-CZ3 4Å; M513-W536 HydrophobicContact CG-CE3 4.04Å; M513-W536 HydrophobicContact SD-CE3 4.13Å; M513-W536 HydrophobicContact SD-CZ3 4.08Å; M513-G538 VanDerWaalsContact O-CA 3.3Å; M513-G538 WeakPolarHBondContact O-CA 3.45Å
514	N	98.6	Very high	97	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.144	C	C	.	.			trans	-115.6	-43	-176.3	-76.1	116.4	0	0	0	113	S436 S437 N512 Y516 T517 A520	S436-N514 VanDerWaalsContact CA-OD1 3.3Å; S436-N514 WeakPolarHBondContact CA-OD1 3.45Å; S437-N514 PolarHBondContact N-OD1 3.32Å; S437-N514 VanDerWaalsContact N-OD1 3.13Å; S437-N514 PolarHBondContact OG-ND2 2.9Å; N512-N514 PolarHBondContact OD1-N 2.67Å; N514-Y516 PolarHBondContact O-N 2.89Å; N514-T517 WeakPolarHBondContact CA-OG1 3.41Å; N514-T517 WeakPolarHBondContact O-CB 3.42Å; N514-T517 VanDerWaalsContact O-CG2 3.25Å; N514-T517 WeakPolarHBondContact O-CG2 3.01Å; N514-T517 PolarHBondContact O-N 3.09Å; N514-T517 PolarHBondContact O-OG1 3.44Å; N514-A520 HydrophobicContact CB-CB 3.79Å
515	G	97.9	Very high	97	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	11%	0.113	C	C	.	.	S	Bend	trans	50.9	-127.3	-165.5	0	0	0	0	0	111.7	N512 T517 A520 N522	N512-G515 PolarHBondContact OD1-N 3.2Å; G515-T517 PolarHBondContact O-N 3.27Å; G515-A520 WeakPolarHBondContact O-CB 3.29Å; G515-N522 PolarHBondContact O-ND2 2.9Å; G515-N522 PolarHBondContact O-OD1 2.61Å
516	Y	97.4	Very high	97	Very high	17 Å²	17	19.7 Å²	19.7	7%	0.067	11%	0.111	C	C	.	.	S	Bend	trans	-100.6	61.5	176.6	-57.1	-71.8	0	0	0	111.2	H380 P381 A398 H401 G402 N514 Y539 S543	H380-Y516 PolarHBondContact CE1-O 2.87Å; P381-Y516 HydrophobicContact CB-CD2 3.43Å; P381-Y516 VanDerWaalsContact CB-CD2 3.43Å; P381-Y516 HydrophobicContact CB-CE2 4.05Å; P381-Y516 HydrophobicContact CB-CG 3.88Å; P381-Y516 HydrophobicContact CG-CD1 4.31Å; P381-Y516 HydrophobicContact CG-CD2 3.68Å; P381-Y516 HydrophobicContact CG-CE2 4.08Å; P381-Y516 HydrophobicContact CG-CG 3.8Å; A398-Y516 HydrophobicContact CB-CE2 4.07Å; A398-Y516 PolarHBondContact O-OH 3.01Å; A398-Y516 VanDerWaalsContact O-OH 3.04Å; H401-Y516 HydrophobicContact CB-CD1 4.1Å; H401-Y516 HydrophobicContact CB-CE1 3.52Å; G402-Y516 WeakPolarHBondContact CA-OH 3.38Å; G402-Y516 PolarHBondContact N-OH 2.86Å; G402-Y516 VanDerWaalsContact N-OH 3.07Å; N514-Y516 PolarHBondContact O-N 2.89Å; Y516-Y539 HydrophobicContact CD2-CE1 4.18Å; Y516-Y539 HydrophobicContact CD2-CE2 4.44Å; Y516-Y539 AromaticContact CD2-CZ 3.89Å; Y516-S543 WeakPolarHBondContact CE2-O 3.47Å; Y516-S543 VanDerWaalsContact CZ-O 3.3Å; Y516-S543 PolarHBondContact OH-O 2.86Å
517	T	93.7	Very high	96.9	Very high	38 Å²	38	19.9 Å²	19.9	23%	0.233	11%	0.109	C	C	.	.	S	Bend	trans	-113.7	170.7	174.1	55.2	0	0	0	0	111.3	N514 G515 G519 A520 Y539	N514-T517 WeakPolarHBondContact CA-OG1 3.41Å; N514-T517 WeakPolarHBondContact O-CB 3.42Å; N514-T517 VanDerWaalsContact O-CG2 3.25Å; N514-T517 WeakPolarHBondContact O-CG2 3.01Å; N514-T517 PolarHBondContact O-N 3.09Å; N514-T517 PolarHBondContact O-OG1 3.44Å; G515-T517 PolarHBondContact O-N 3.27Å; T517-G519 PolarHBondContact O-N 3.17Å; T517-A520 VanDerWaalsContact O-CB 3.32Å; T517-A520 WeakPolarHBondContact O-CB 3.49Å; T517-A520 PolarHBondContact O-N 2.78Å; T517-Y539 HydrophobicContact CG2-CD2 4.14Å
518	K	88.8	Confident	96.9	Very high	191 Å²	191	23.4 Å²	23.4	83%	0.83	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	130.5	178.5	-177.2	179.1	178.9	179.4	0	109.8	S437	S437-K518 PolarHBondContact OG-O 3.32Å
519	G	89.9	Confident	96.9	Very high	40 Å²	40	23.3 Å²	23.3	41%	0.412	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-4.8	179.1	0	0	0	0	0	115	T517	T517-G519 PolarHBondContact O-N 3.17Å
520	A	95.2	Very high	96.9	Very high	28 Å²	28	23.3 Å²	23.3	23%	0.231	12%	0.122	C	C	.	.			trans	-59.9	139.9	176.3	0	0	0	0	0	112.3	N514 G515 T517	N514-A520 HydrophobicContact CB-CB 3.79Å; G515-A520 WeakPolarHBondContact O-CB 3.29Å; T517-A520 VanDerWaalsContact O-CB 3.32Å; T517-A520 WeakPolarHBondContact O-CB 3.49Å; T517-A520 PolarHBondContact O-N 2.78Å
521	R	96.3	Very high	96.9	Very high	34 Å²	34	23.7 Å²	23.7	13%	0.128	12%	0.124	C	C	.	.			trans	-125.7	65.8	171.5	-70.3	173	58.9	-173.2	4.3	109.8	L467 L489 I492 P493 N495 E523 L524	L467-R521 HydrophobicContact CD1-CB 4Å; L467-R521 HydrophobicContact CD1-CG 4.32Å; L489-R521 PolarHBondContact O-NH1 3.16Å; I492-R521 PolarHBondContact O-NH1 2.99Å; I492-R521 PolarHBondContact O-NH2 3.27Å; P493-R521 PolarHBondContact O-NH2 3.3Å; N495-R521 VanDerWaalsContact OD1-CZ 3.31Å; N495-R521 PolarHBondContact OD1-NE 3.25Å; N495-R521 PolarHBondContact OD1-NH2 2.91Å; R521-E523 VanDerWaalsContact C-OE2 3.32Å; R521-E523 WeakPolarHBondContact CA-OE2 3.23Å; R521-E523 PolarHBondContact O-N 3.26Å; R521-E523 VanDerWaalsContact O-N 3.12Å; R521-L524 HydrophobicContact CB-CD1 4.05Å; R521-L524 HydrophobicContact CB-CG 4.06Å; R521-L524 WeakPolarHBondContact O-CB 3.5Å; R521-L524 WeakPolarHBondContact O-CG 3.34Å; R521-L524 PolarHBondContact O-N 3.08Å
522	N	97.9	Very high	96.9	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.059	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15	-177.5	-66.4	-35.8	0	0	0	112.8	N512 G515 L524 F525 A526 F547	N512-N522 PolarHBondContact ND2-OD1 2.81Å; G515-N522 PolarHBondContact O-ND2 2.9Å; G515-N522 PolarHBondContact O-OD1 2.61Å; N522-L524 PolarHBondContact O-N 3.09Å; N522-F525 PolarHBondContact O-N 3.39Å; N522-A526 PolarHBondContact O-N 2.98Å; N522-F547 HydrophobicContact CB-CZ 4.34Å
523	E	95.1	Very high	96.9	Very high	20 Å²	20	23.7 Å²	23.7	9%	0.093	12%	0.124	C	C	.	.	H	α-helix	trans	-55.5	-31.2	168.1	-63	83.8	178.5	0	0	112.5	C405 K408 I409 N495 R521 F525 A526 L527	C405-E523 HydrophobicContact CB-CG 4.38Å; K408-E523 HydrophobicContact CB-CG 4.31Å; K408-E523 HydrophobicContact CD-CG 4.17Å; K408-E523 WeakPolarHBondContact CD-OE1 3.18Å; K408-E523 IonicContact NZ-OE1 2.66Å; K408-E523 PolarHBondContact NZ-OE1 3.44Å; I409-E523 HydrophobicContact CG2-CB 3.69Å; I409-E523 HydrophobicContact CG2-CG 4.11Å; N495-E523 HydrophobicContact CB-CB 4.09Å; N495-E523 VanDerWaalsContact ND2-CB 3.35Å; N495-E523 WeakPolarHBondContact ND2-CB 3.47Å; R521-E523 VanDerWaalsContact C-OE2 3.32Å; R521-E523 WeakPolarHBondContact CA-OE2 3.23Å; R521-E523 PolarHBondContact O-N 3.26Å; R521-E523 VanDerWaalsContact O-N 3.12Å; E523-F525 VanDerWaalsContact C-N 3.35Å; E523-A526 PolarHBondContact O-N 2.66Å; E523-L527 WeakPolarHBondContact O-CG 3.38Å; E523-L527 PolarHBondContact O-N 2.93Å
524	L	98.3	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-41.9	175	-58.6	-180	0	0	0	111.5	V435 L467 L489 N495 A498 I502 R521 N522 P529	V435-L524 HydrophobicContact CG1-CD1 4.44Å; L467-L524 HydrophobicContact CD2-CD1 3.75Å; L489-L524 HydrophobicContact CD1-CD1 3.93Å; N495-L524 HydrophobicContact CB-CD2 4.14Å; A498-L524 HydrophobicContact CB-CD2 3.55Å; I502-L524 HydrophobicContact CD1-CD1 4.46Å; R521-L524 HydrophobicContact CB-CD1 4.05Å; R521-L524 HydrophobicContact CB-CG 4.06Å; R521-L524 WeakPolarHBondContact O-CB 3.5Å; R521-L524 WeakPolarHBondContact O-CG 3.34Å; R521-L524 PolarHBondContact O-N 3.08Å; N522-L524 PolarHBondContact O-N 3.09Å; L524-P529 WeakPolarHBondContact O-CD 3.32Å
525	F	98.8	Very high	96.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-75.9	-35	178.5	-68.8	-89.5	0	0	0	111.8	V435 L510 N512 N522 E523 L527 R528 Q533 F547 M548	V435-F525 HydrophobicContact CB-CE2 3.96Å; V435-F525 HydrophobicContact CB-CZ 3.7Å; V435-F525 HydrophobicContact CG1-CE2 4.09Å; V435-F525 HydrophobicContact CG1-CZ 4.33Å; V435-F525 HydrophobicContact CG2-CE1 4.49Å; V435-F525 HydrophobicContact CG2-CE2 4.14Å; V435-F525 HydrophobicContact CG2-CZ 3.61Å; L510-F525 HydrophobicContact CB-CE1 4.17Å; L510-F525 HydrophobicContact CD2-CD1 3.87Å; L510-F525 HydrophobicContact CD2-CE1 3.58Å; L510-F525 HydrophobicContact CD2-CZ 4.09Å; L510-F525 HydrophobicContact CG-CD1 4.32Å; L510-F525 HydrophobicContact CG-CE1 3.59Å; L510-F525 HydrophobicContact CG-CZ 4.06Å; N512-F525 VanDerWaalsContact CA-CZ 3.41Å; N512-F525 HydrophobicContact CB-CD1 4.2Å; N512-F525 HydrophobicContact CB-CD2 4.35Å; N512-F525 HydrophobicContact CB-CE1 3.63Å; N512-F525 HydrophobicContact CB-CE2 3.81Å; N512-F525 HydrophobicContact CB-CZ 3.42Å; N512-F525 VanDerWaalsContact CB-CZ 3.42Å; N512-F525 WeakPolarHBondContact ND2-CD2 3.21Å; N522-F525 PolarHBondContact O-N 3.39Å; E523-F525 VanDerWaalsContact C-N 3.35Å; F525-L527 PolarHBondContact O-N 3.17Å; F525-R528 PolarHBondContact O-N 2.96Å; F525-Q533 HydrophobicContact CD1-CB 4.19Å; F525-Q533 HydrophobicContact CD1-CG 4.38Å; F525-Q533 PolarHBondContact O-NE2 3.02Å; F525-Q533 PolarHBondContact O-OE1 2.96Å; F525-F547 HydrophobicContact CB-CD2 3.7Å; F525-F547 HydrophobicContact CB-CE2 3.81Å; F525-M548 HydrophobicContact CB-SD 4.01Å; F525-M548 HydrophobicContact CD1-CE 4.26Å; F525-M548 HydrophobicContact CD1-SD 3.72Å; F525-M548 HydrophobicContact CE1-CE 4.5Å; F525-M548 HydrophobicContact CE1-SD 4.48Å; F525-M548 HydrophobicContact CG-SD 4.03Å
526	A	97.9	Very high	97	Very high	9 Å²	9	24 Å²	24	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-32.4	174.6	0	0	0	0	0	112.6	C405 L406 I409 N522 E523 R528 F547	C405-A526 HydrophobicContact CB-CB 4.19Å; L406-A526 HydrophobicContact CD2-CB 4.12Å; I409-A526 VanDerWaalsContact CD1-C 3.44Å; I409-A526 HydrophobicContact CD1-CB 3.63Å; I409-A526 WeakPolarHBondContact CD1-O 3.44Å; I409-A526 HydrophobicContact CG1-CB 4.34Å; N522-A526 PolarHBondContact O-N 2.98Å; E523-A526 PolarHBondContact O-N 2.66Å; A526-R528 PolarHBondContact O-N 3.24Å; A526-F547 HydrophobicContact CB-CD1 3.72Å; A526-F547 HydrophobicContact CB-CE1 3.71Å; A526-F547 HydrophobicContact CB-CG 4.28Å; A526-F547 HydrophobicContact CB-CZ 4.29Å
527	L	97.6	Very high	97	Very high	17 Å²	17	23.9 Å²	23.9	9%	0.089	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.6	175.2	-77.3	164.8	0	0	0	113.9	I409 L412 K414 Y417 A499 E523 F525	I409-L527 HydrophobicContact CB-CD2 4.1Å; I409-L527 HydrophobicContact CB-CG 4.15Å; I409-L527 HydrophobicContact CD1-CD2 3.88Å; I409-L527 HydrophobicContact CD1-CG 3.87Å; I409-L527 HydrophobicContact CG2-CD1 4.27Å; I409-L527 HydrophobicContact CG2-CD2 4.49Å; I409-L527 HydrophobicContact CG2-CG 4.01Å; L412-L527 HydrophobicContact CD1-CD1 4.35Å; K414-L527 HydrophobicContact CB-CD2 3.92Å; K414-L527 HydrophobicContact CG-CD2 4.07Å; Y417-L527 VanDerWaalsContact CD2-O 3.28Å; Y417-L527 WeakPolarHBondContact CD2-O 3.3Å; Y417-L527 HydrophobicContact CE2-CB 4.28Å; Y417-L527 VanDerWaalsContact CE2-O 3.31Å; Y417-L527 WeakPolarHBondContact CE2-O 3.41Å; A499-L527 HydrophobicContact CB-CB 4Å; A499-L527 HydrophobicContact CB-CD1 3.56Å; A499-L527 HydrophobicContact CB-CG 4.4Å; E523-L527 WeakPolarHBondContact O-CG 3.38Å; E523-L527 PolarHBondContact O-N 2.93Å; F525-L527 PolarHBondContact O-N 3.17Å
528	R	98.7	Very high	97	Very high	75 Å²	75	23 Å²	23	28%	0.283	12%	0.124	S	C	.	.			trans	47.1	57.5	180	-55.5	-164.4	73.4	127.8	6.7	115.1	H419 F525 A526 A530 L546 F547 D549	H419-R528 PolarHBondContact NE2-O 3Å; F525-R528 PolarHBondContact O-N 2.96Å; A526-R528 PolarHBondContact O-N 3.24Å; R528-A530 PolarHBondContact O-N 3.25Å; R528-L546 PolarHBondContact NH1-O 3Å; R528-F547 HydrophobicContact CG-CB 4.09Å; R528-D549 IonicContact CZ-OD1 3.47Å; R528-D549 IonicContact NH1-OD1 2.65Å; R528-D549 IonicContact NH2-OD1 2.81Å; R528-D549 PolarHBondContact NH2-OD1 3.3Å; R528-D549 IonicContact NH2-OD2 3.53Å; R528-D549 PolarHBondContact NH2-OD2 2.85Å
529	P	98.8	Very high	97.5	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.013	9%	0.088	C	C	.	.			trans	-71	-10.3	177.9	31.1	-37.1	0	0	0	114.3	Y417 A499 I502 H503 L510 L524	Y417-P529 HydrophobicContact CD2-CB 4.3Å; Y417-P529 HydrophobicContact CE2-CB 4.21Å; A499-P529 HydrophobicContact CB-CB 4.43Å; A499-P529 HydrophobicContact CB-CG 4.46Å; A499-P529 WeakPolarHBondContact O-CB 3.4Å; I502-P529 HydrophobicContact CB-CB 4.14Å; I502-P529 HydrophobicContact CB-CG 4.14Å; I502-P529 HydrophobicContact CD1-CG 4.43Å; I502-P529 HydrophobicContact CG2-CB 3.97Å; I502-P529 HydrophobicContact CG2-CG 3.81Å; H503-P529 HydrophobicContact CB-CB 4.05Å; L510-P529 HydrophobicContact CD2-CG 3.98Å; L524-P529 WeakPolarHBondContact O-CD 3.32Å
530	A	98.8	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-126.6	152.5	176.4	0	0	0	0	0	111.3	I507 L510 R528	I507-A530 HydrophobicContact CB-CB 4.28Å; I507-A530 HydrophobicContact CG2-CB 4.07Å; I507-A530 WeakPolarHBondContact O-CB 3.33Å; L510-A530 HydrophobicContact CB-CB 3.71Å; R528-A530 PolarHBondContact O-N 3.25Å
531	P	98.8	Very high	98	Very high	8 Å²	8	13 Å²	13	5%	0.052	7%	0.07	C	C	.	.	S	Bend	trans	-69.1	-33.3	-177.9	20.6	-26.8	0	0	0	114.5	H419 I507 H508 W898 Y901	H419-P531 HydrophobicContact CB-CB 3.69Å; H419-P531 HydrophobicContact CB-CG 3.98Å; I507-P531 WeakPolarHBondContact O-CD 3.46Å; H508-P531 WeakPolarHBondContact O-CD 3.37Å; H508-P531 VanDerWaalsContact O-CG 3.3Å; H508-P531 WeakPolarHBondContact O-CG 3.27Å; P531-W898 HydrophobicContact CG-CZ3 4.28Å; P531-Y901 HydrophobicContact CB-CD1 4.29Å; P531-Y901 HydrophobicContact CB-CD2 4.24Å; P531-Y901 HydrophobicContact CB-CE1 3.66Å; P531-Y901 HydrophobicContact CB-CE2 3.58Å; P531-Y901 VanDerWaalsContact CB-OH 3.32Å; P531-Y901 WeakPolarHBondContact CB-OH 3.38Å; P531-Y901 HydrophobicContact CG-CE1 4.18Å
532	I	98.9	Very high	98.1	Very high	4 Å²	4	12 Å²	12	2%	0.021	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.7	179.5	-55.2	173.1	0	0	0	108	H508 I509 L510 D549 Y550 M897 W898 Y901	H508-I532 PolarHBondContact O-N 3.18Å; I509-I532 WeakPolarHBondContact CA-O 3.4Å; I509-I532 HydrophobicContact CG1-CB 4.16Å; I509-I532 HydrophobicContact CG1-CD1 4.2Å; I509-I532 HydrophobicContact CG1-CG2 4.38Å; I509-I532 HydrophobicContact CG2-CG2 4.4Å; L510-I532 PolarHBondContact N-O 3.39Å; I532-D549 WeakPolarHBondContact CA-OD2 3.41Å; I532-Y550 HydrophobicContact CG2-CD2 3.8Å; I532-Y550 HydrophobicContact CG2-CE2 3.98Å; I532-M897 HydrophobicContact CD1-CB 4.18Å; I532-M897 WeakPolarHBondContact CD1-O 3.48Å; I532-M897 HydrophobicContact CG2-SD 4.43Å; I532-W898 HydrophobicContact CD1-CE3 4.26Å; I532-Y901 HydrophobicContact CD1-CG 4.19Å; I532-Y901 HydrophobicContact CG1-CD2 4.32Å; I532-Y901 HydrophobicContact CG1-CG 4.16Å
533	Q	98.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.8	175.8	-52.7	-166.4	144.7	0	0	110.7	L510 F525 F547 M548 D549 Y550	L510-Q533 HydrophobicContact CB-CG 4.39Å; L510-Q533 CarbonylContact O-C 3.56Å; L510-Q533 VanDerWaalsContact O-CA 3.24Å; L510-Q533 WeakPolarHBondContact O-CA 3.3Å; F525-Q533 HydrophobicContact CD1-CB 4.19Å; F525-Q533 HydrophobicContact CD1-CG 4.38Å; F525-Q533 PolarHBondContact O-NE2 3.02Å; F525-Q533 PolarHBondContact O-OE1 2.96Å; Q533-F547 PolarHBondContact NE2-O 3.42Å; Q533-M548 HydrophobicContact CB-CE 3.96Å; Q533-M548 HydrophobicContact CB-SD 4.05Å; Q533-D549 PolarHBondContact N-OD2 3.42Å; Q533-D549 WeakPolarHBondContact O-CB 3.49Å; Q533-D549 PolarHBondContact O-N 3.31Å; Q533-Y550 PolarHBondContact O-N 3Å
534	A	98.9	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.8	-173.9	0	0	0	0	0	112.5	L510 V511 N512 M548 Y550 I552	L510-A534 PolarHBondContact O-N 2.6Å; V511-A534 CarbonylContact C-O 3.27Å; V511-A534 WeakPolarHBondContact CA-O 3.25Å; N512-A534 PolarHBondContact N-O 3.24Å; A534-M548 WeakPolarHBondContact O-CE 3.5Å; A534-Y550 CarbonylContact C-O 3.54Å; A534-Y550 VanDerWaalsContact CA-O 3.3Å; A534-Y550 WeakPolarHBondContact CA-O 3.46Å; A534-I552 HydrophobicContact CB-CD1 4.27Å; A534-I552 HydrophobicContact CB-CG1 4.31Å
535	M	98.9	Very high	98.2	Very high	4 Å²	4	11 Å²	11	2%	0.02	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.1	168.1	-65.7	-67.3	-68.8	0	0	109.5	N512 Y539 M548 Y550 I551 I552 E568	N512-M535 HydrophobicContact CB-SD 3.78Å; M535-Y539 HydrophobicContact CE-CD1 3.87Å; M535-Y539 HydrophobicContact CE-CG 4.39Å; M535-M548 HydrophobicContact CG-CB 4.26Å; M535-M548 HydrophobicContact CG-CE 3.79Å; M535-M548 HydrophobicContact CG-CG 4.16Å; M535-M548 HydrophobicContact SD-CE 3.76Å; M535-M548 HydrophobicContact SD-CG 3.97Å; M535-M548 HydrophobicContact SD-SD 4.28Å; M535-Y550 PolarHBondContact N-O 3.25Å; M535-I551 HydrophobicContact CB-CB 4.21Å; M535-I551 HydrophobicContact CB-CG1 4.05Å; M535-I552 PolarHBondContact O-N 3.35Å; M535-E568 HydrophobicContact CG-CG 4.37Å; M535-E568 WeakPolarHBondContact CG-OE1 3.13Å
536	W	98.9	Very high	98.2	Very high	5 Å²	5	18 Å²	18	2%	0.019	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	134.2	177.9	179.5	55.4	0	0	0	113.3	Y434 M448 I451 V511 N512 M513 G538 I552 Y886 L890	Y434-W536 AromaticContact CD1-CE3 3.96Å; Y434-W536 HydrophobicContact CD1-CE3 3.96Å; Y434-W536 AromaticContact CD1-CZ3 3.69Å; Y434-W536 HydrophobicContact CD1-CZ3 3.69Å; Y434-W536 AromaticContact CE1-CE3 3.75Å; Y434-W536 HydrophobicContact CE1-CE3 3.75Å; Y434-W536 HydrophobicContact CE1-CH2 4.25Å; Y434-W536 AromaticContact CE1-CZ3 3.4Å; Y434-W536 HydrophobicContact CE1-CZ3 3.4Å; Y434-W536 VanDerWaalsContact CE1-CZ3 3.4Å; M448-W536 HydrophobicContact CB-CH2 3.87Å; M448-W536 HydrophobicContact CE-CH2 4.17Å; M448-W536 HydrophobicContact CE-CZ3 3.88Å; M448-W536 HydrophobicContact CG-CH2 4.23Å; M448-W536 HydrophobicContact CG-CZ3 4.43Å; I451-W536 HydrophobicContact CG1-CH2 4.45Å; I451-W536 HydrophobicContact CG2-CH2 4.33Å; V511-W536 HydrophobicContact CG1-CB 3.52Å; V511-W536 HydrophobicContact CG1-CD2 4.33Å; V511-W536 HydrophobicContact CG1-CE3 3.84Å; V511-W536 HydrophobicContact CG1-CG 4.27Å; N512-W536 PolarHBondContact O-N 2.88Å; M513-W536 WeakPolarHBondContact CA-O 3.36Å; M513-W536 HydrophobicContact CE-CE3 4.28Å; M513-W536 HydrophobicContact CE-CZ3 4Å; M513-W536 HydrophobicContact CG-CE3 4.04Å; M513-W536 HydrophobicContact SD-CE3 4.13Å; M513-W536 HydrophobicContact SD-CZ3 4.08Å; W536-G538 VanDerWaalsContact C-N 3.3Å; W536-G538 PolarHBondContact O-N 3.23Å; W536-I552 HydrophobicContact CB-CB 4.31Å; W536-I552 HydrophobicContact CB-CD1 4.18Å; W536-I552 HydrophobicContact CG-CB 4.34Å; W536-I552 HydrophobicContact CG-CD1 4.26Å; W536-Y886 AromaticContact CZ2-CE1 3.79Å; W536-Y886 HydrophobicContact CZ2-CE1 3.79Å; W536-Y886 PolarHBondContact NE1-OH 2.72Å; W536-L890 HydrophobicContact CH2-CD2 4.37Å; W536-L890 HydrophobicContact CZ2-CD2 4.14Å
537	L	97.7	Very high	98.2	Very high	13 Å²	13	17.8 Å²	17.8	7%	0.068	10%	0.098	C	C	.	.	S	Bend	trans	64.7	-62	165.5	-168	64.4	0	0	0	117	L447 M448 Y539 F578 I579	L447-L537 HydrophobicContact CB-CD2 4.14Å; L447-L537 HydrophobicContact CD1-CD1 4.13Å; L447-L537 HydrophobicContact CD1-CD2 4.45Å; L447-L537 HydrophobicContact CD1-CG 4.34Å; M448-L537 HydrophobicContact CB-CD2 3.84Å; M448-L537 HydrophobicContact CG-CD2 3.82Å; L537-Y539 VanDerWaalsContact C-N 3.34Å; L537-Y539 PolarHBondContact O-N 3Å; L537-F578 HydrophobicContact CD1-CD2 4.17Å; L537-F578 HydrophobicContact CD1-CE2 4.13Å; L537-I579 HydrophobicContact CD2-CG2 4.36Å
538	G	94.6	Very high	98.3	Very high	19 Å²	19	17.3 Å²	17.3	20%	0.196	10%	0.095	C	C	.	.	S	Bend	trans	-77.7	-10.1	-164.3	0	0	0	0	0	116.3	M513 W536	M513-G538 VanDerWaalsContact O-CA 3.3Å; M513-G538 WeakPolarHBondContact O-CA 3.45Å; W536-G538 VanDerWaalsContact C-N 3.3Å; W536-G538 PolarHBondContact O-N 3.23Å
539	Y	98.3	Very high	98.3	Very high	19 Å²	19	14.5 Å²	14.5	8%	0.075	9%	0.086	C	C	.	.			trans	-128.2	119.8	174.9	-175.9	-108.1	0	0	0	111.6	P381 H382 Y516 T517 M535 L537 G541 T542	P381-Y539 VanDerWaalsContact CB-OH 3.3Å; P381-Y539 WeakPolarHBondContact CB-OH 3.41Å; P381-Y539 PolarHBondContact O-OH 3.46Å; H382-Y539 HydrophobicContact CB-CE2 4.02Å; H382-Y539 AromaticContact CD2-CE2 3.96Å; H382-Y539 PolarHBondContact N-OH 2.83Å; Y516-Y539 HydrophobicContact CD2-CE1 4.18Å; Y516-Y539 HydrophobicContact CD2-CE2 4.44Å; Y516-Y539 AromaticContact CD2-CZ 3.89Å; T517-Y539 HydrophobicContact CG2-CD2 4.14Å; M535-Y539 HydrophobicContact CE-CD1 3.87Å; M535-Y539 HydrophobicContact CE-CG 4.39Å; L537-Y539 VanDerWaalsContact C-N 3.34Å; L537-Y539 PolarHBondContact O-N 3Å; Y539-G541 VanDerWaalsContact C-N 3.25Å; Y539-G541 WeakPolarHBondContact CD1-O 3.37Å; Y539-G541 WeakPolarHBondContact CE1-O 3.49Å; Y539-G541 PolarHBondContact O-N 3.29Å; Y539-T542 WeakPolarHBondContact CE1-O 3.45Å
540	P	97.3	Very high	98.3	Very high	18 Å²	18	14.6 Å²	14.6	12%	0.117	9%	0.086	C	C	.	.	S	Bend	trans	-87.5	51.9	-172.9	36.2	-37.2	0	0	0	112.7	M385 L825 A826	M385-P540 HydrophobicContact CE-CG 4.37Å; M385-P540 HydrophobicContact SD-CG 4.01Å; P540-L825 HydrophobicContact CB-CD2 3.83Å; P540-A826 HydrophobicContact CB-CB 4.13Å; P540-A826 HydrophobicContact CG-CB 4.48Å
541	G	97.8	Very high	98.3	Very high	14 Å²	14	14.9 Å²	14.9	14%	0.144	9%	0.087	C	C	.	.	S	Bend	trans	-174.1	177.6	178.9	0	0	0	0	0	114.3	Y539	Y539-G541 VanDerWaalsContact C-N 3.25Å; Y539-G541 WeakPolarHBondContact CD1-O 3.37Å; Y539-G541 WeakPolarHBondContact CE1-O 3.49Å; Y539-G541 PolarHBondContact O-N 3.29Å
542	T	98.7	Very high	98.3	Very high	12 Å²	12	14.6 Å²	14.6	7%	0.074	9%	0.085	C	C	.	.			trans	-65.6	140	173	-179.5	0	0	0	0	111.5	K395 A398 Y539 G544 Q565 S567 E568	K395-T542 HydrophobicContact CB-CG2 4.41Å; A398-T542 HydrophobicContact CB-CG2 4.17Å; Y539-T542 WeakPolarHBondContact CE1-O 3.45Å; T542-G544 PolarHBondContact OG1-N 3.45Å; T542-Q565 WeakPolarHBondContact CG2-O 3.49Å; T542-S567 PolarHBondContact OG1-N 2.77Å; T542-S567 VanDerWaalsContact OG1-N 3.13Å; T542-S567 PolarHBondContact OG1-OG 2.91Å; T542-S567 VanDerWaalsContact OG1-OG 3.13Å; T542-E568 PolarHBondContact OG1-OE2 3.25Å
543	S	98.6	Very high	98.3	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.028	9%	0.085	C	C	.	.			trans	-71.2	-22.5	166	70.1	0	0	0	0	111.7	A398 Y516 A545 M548 E568	A398-S543 CarbonylContact C-O 3.59Å; A398-S543 WeakPolarHBondContact CB-O 3.38Å; Y516-S543 WeakPolarHBondContact CE2-O 3.47Å; Y516-S543 VanDerWaalsContact CZ-O 3.3Å; Y516-S543 PolarHBondContact OH-O 2.86Å; S543-A545 PolarHBondContact O-N 3.24Å; S543-A545 VanDerWaalsContact O-N 3.12Å; S543-A545 PolarHBondContact OG-N 3.02Å; S543-A545 VanDerWaalsContact OG-N 3.12Å; S543-M548 WeakPolarHBondContact OG-CB 3.3Å; S543-M548 WeakPolarHBondContact OG-CG 3.32Å; S543-E568 WeakPolarHBondContact CA-OE1 3.48Å; S543-E568 WeakPolarHBondContact CB-OE1 3.34Å; S543-E568 PolarHBondContact N-OE1 3.28Å; S543-E568 PolarHBondContact OG-OE1 3.43Å
544	G	98.3	Very high	98.3	Very high	5 Å²	5	14.4 Å²	14.4	5%	0.052	9%	0.085	C	C	.	.			trans	64.1	6.1	-170.8	0	0	0	0	0	113.2	E399 T542 S567	E399-G544 VanDerWaalsContact CA-O 3.25Å; E399-G544 WeakPolarHBondContact CA-O 3.3Å; E399-G544 WeakPolarHBondContact CG-O 3.05Å; T542-G544 PolarHBondContact OG1-N 3.45Å; G544-S567 VanDerWaalsContact C-OG 3.27Å; G544-S567 WeakPolarHBondContact CA-OG 3.49Å; G544-S567 PolarHBondContact N-OG 3.32Å
545	A	98.1	Very high	98.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	11%	0.105	C	C	.	.			trans	-104.1	130.7	-167.5	0	0	0	0	0	111.8	S543 F547 M548 S567	S543-A545 PolarHBondContact O-N 3.24Å; S543-A545 VanDerWaalsContact O-N 3.12Å; S543-A545 PolarHBondContact OG-N 3.02Å; S543-A545 VanDerWaalsContact OG-N 3.12Å; A545-F547 HydrophobicContact CB-CD1 3.86Å; A545-F547 HydrophobicContact CB-CD2 3.88Å; A545-F547 HydrophobicContact CB-CE1 3.53Å; A545-F547 HydrophobicContact CB-CE2 3.53Å; A545-F547 HydrophobicContact CB-CG 4.04Å; A545-F547 HydrophobicContact CB-CZ 3.34Å; A545-F547 PolarHBondContact O-N 3.44Å; A545-F547 VanDerWaalsContact O-N 3.1Å; A545-M548 HydrophobicContact CB-CG 4.45Å; A545-M548 PolarHBondContact O-N 3.18Å; A545-S567 PolarHBondContact N-OG 3.26Å
546	L	97.4	Very high	98.2	Very high	148 Å²	148	22.2 Å²	22.2	78%	0.775	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.7	176.2	-66.5	175.7	0	0	0	113.7	R528 M548	R528-L546 PolarHBondContact NH1-O 3Å; L546-M548 VanDerWaalsContact C-N 3.33Å
547	F	98.4	Very high	98.2	Very high	6 Å²	6	22 Å²	22	3%	0.026	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-9	176.2	57.2	-109.9	0	0	0	113.5	C405 L406 N522 F525 A526 R528 Q533 A545	C405-F547 HydrophobicContact CB-CE1 4.35Å; L406-F547 HydrophobicContact CD2-CD1 4.25Å; L406-F547 HydrophobicContact CG-CD1 4.47Å; N522-F547 HydrophobicContact CB-CZ 4.34Å; F525-F547 HydrophobicContact CB-CD2 3.7Å; F525-F547 HydrophobicContact CB-CE2 3.81Å; A526-F547 HydrophobicContact CB-CD1 3.72Å; A526-F547 HydrophobicContact CB-CE1 3.71Å; A526-F547 HydrophobicContact CB-CG 4.28Å; A526-F547 HydrophobicContact CB-CZ 4.29Å; R528-F547 HydrophobicContact CG-CB 4.09Å; Q533-F547 PolarHBondContact NE2-O 3.42Å; A545-F547 HydrophobicContact CB-CD1 3.86Å; A545-F547 HydrophobicContact CB-CD2 3.88Å; A545-F547 HydrophobicContact CB-CE1 3.53Å; A545-F547 HydrophobicContact CB-CE2 3.53Å; A545-F547 HydrophobicContact CB-CG 4.04Å; A545-F547 HydrophobicContact CB-CZ 3.34Å; A545-F547 PolarHBondContact O-N 3.44Å; A545-F547 VanDerWaalsContact O-N 3.1Å
548	M	98.9	Very high	98.3	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.03	12%	0.117	C	C	.	.			trans	-100.1	122.5	172.2	-63.4	-52.3	-57.7	0	0	109.8	N512 F525 Q533 A534 M535 S543 A545 L546 E568	N512-M548 HydrophobicContact CB-CE 3.73Å; N512-M548 HydrophobicContact CB-SD 4.31Å; F525-M548 HydrophobicContact CB-SD 4.01Å; F525-M548 HydrophobicContact CD1-CE 4.26Å; F525-M548 HydrophobicContact CD1-SD 3.72Å; F525-M548 HydrophobicContact CE1-CE 4.5Å; F525-M548 HydrophobicContact CE1-SD 4.48Å; F525-M548 HydrophobicContact CG-SD 4.03Å; Q533-M548 HydrophobicContact CB-CE 3.96Å; Q533-M548 HydrophobicContact CB-SD 4.05Å; A534-M548 WeakPolarHBondContact O-CE 3.5Å; M535-M548 HydrophobicContact CG-CB 4.26Å; M535-M548 HydrophobicContact CG-CE 3.79Å; M535-M548 HydrophobicContact CG-CG 4.16Å; M535-M548 HydrophobicContact SD-CE 3.76Å; M535-M548 HydrophobicContact SD-CG 3.97Å; M535-M548 HydrophobicContact SD-SD 4.28Å; S543-M548 WeakPolarHBondContact OG-CB 3.3Å; S543-M548 WeakPolarHBondContact OG-CG 3.32Å; A545-M548 HydrophobicContact CB-CG 4.45Å; A545-M548 PolarHBondContact O-N 3.18Å; L546-M548 VanDerWaalsContact C-N 3.33Å; M548-E568 HydrophobicContact CB-CG 3.78Å
549	D	98.9	Very high	98.4	Very high	17 Å²	17	21 Å²	21	9%	0.091	11%	0.111	C	C	.	.			trans	-85.8	-44.4	-174	-59.7	-55.7	0	0	0	112	R528 I532 Q533 K569 P907	R528-D549 IonicContact CZ-OD1 3.47Å; R528-D549 IonicContact NH1-OD1 2.65Å; R528-D549 IonicContact NH2-OD1 2.81Å; R528-D549 PolarHBondContact NH2-OD1 3.3Å; R528-D549 IonicContact NH2-OD2 3.53Å; R528-D549 PolarHBondContact NH2-OD2 2.85Å; I532-D549 WeakPolarHBondContact CA-OD2 3.41Å; Q533-D549 PolarHBondContact N-OD2 3.42Å; Q533-D549 WeakPolarHBondContact O-CB 3.49Å; Q533-D549 PolarHBondContact O-N 3.31Å; D549-K569 PolarHBondContact O-N 3.16Å; D549-P907 HydrophobicContact CB-CB 4.05Å; D549-P907 HydrophobicContact CB-CG 3.67Å
550	Y	98.9	Very high	98.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.9	-173.1	-68.1	-81.5	0	0	0	112.3	I532 Q533 A534 M535 K569 A571 M897 P907 D908 M910	I532-Y550 HydrophobicContact CG2-CD2 3.8Å; I532-Y550 HydrophobicContact CG2-CE2 3.98Å; Q533-Y550 PolarHBondContact O-N 3Å; A534-Y550 CarbonylContact C-O 3.54Å; A534-Y550 VanDerWaalsContact CA-O 3.3Å; A534-Y550 WeakPolarHBondContact CA-O 3.46Å; M535-Y550 PolarHBondContact N-O 3.25Å; Y550-K569 CarbonylContact C-O 3.58Å; Y550-K569 VanDerWaalsContact CA-O 3.29Å; Y550-K569 WeakPolarHBondContact CA-O 3.47Å; Y550-K569 HydrophobicContact CD1-CB 3.76Å; Y550-K569 HydrophobicContact CE1-CB 3.9Å; Y550-A571 HydrophobicContact CD1-CB 3.99Å; Y550-M897 HydrophobicContact CD1-CE 4.15Å; Y550-M897 HydrophobicContact CD2-CE 4.27Å; Y550-M897 HydrophobicContact CD2-CG 4.27Å; Y550-M897 HydrophobicContact CD2-SD 4.08Å; Y550-M897 HydrophobicContact CE2-CB 4.46Å; Y550-M897 HydrophobicContact CE2-CG 4.17Å; Y550-M897 HydrophobicContact CG-CE 3.82Å; Y550-M897 HydrophobicContact CG-SD 4.24Å; Y550-P907 HydrophobicContact CE1-CB 4.44Å; Y550-P907 HydrophobicContact CE2-CB 3.91Å; Y550-P907 HydrophobicContact CE2-CG 4.34Å; Y550-P907 WeakPolarHBondContact OH-CA 3.2Å; Y550-D908 VanDerWaalsContact CE1-O 3.26Å; Y550-D908 WeakPolarHBondContact CE1-O 3.2Å; Y550-M910 HydrophobicContact CE1-CG 4.14Å; Y550-M910 HydrophobicContact CE1-SD 4.27Å
551	I	98.9	Very high	98.2	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.2	161.2	-176.5	169.3	0	0	0	108.4	M535 T553 Y566 E568 K569 L570 A571 L825	M535-I551 HydrophobicContact CB-CB 4.21Å; M535-I551 HydrophobicContact CB-CG1 4.05Å; I551-T553 PolarHBondContact O-N 3.13Å; I551-Y566 HydrophobicContact CD1-CD1 3.94Å; I551-Y566 HydrophobicContact CD1-CE1 4.02Å; I551-Y566 HydrophobicContact CG2-CD1 4.4Å; I551-Y566 HydrophobicContact CG2-CG 4.5Å; I551-E568 HydrophobicContact CB-CB 3.98Å; I551-E568 HydrophobicContact CB-CG 4.39Å; I551-E568 HydrophobicContact CG2-CB 3.95Å; I551-K569 PolarHBondContact N-O 3.16Å; I551-L570 HydrophobicContact CG2-CD2 3.78Å; I551-A571 PolarHBondContact O-N 3.37Å; I551-L825 HydrophobicContact CD1-CD1 3.91Å
552	I	98.9	Very high	98.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	111.3	175.7	-58.5	178.3	0	0	0	107.4	A534 M535 W536 A571 M573 L890 L893 Y894 M897	A534-I552 HydrophobicContact CB-CD1 4.27Å; A534-I552 HydrophobicContact CB-CG1 4.31Å; M535-I552 PolarHBondContact O-N 3.35Å; W536-I552 HydrophobicContact CB-CB 4.31Å; W536-I552 HydrophobicContact CB-CD1 4.18Å; W536-I552 HydrophobicContact CG-CB 4.34Å; W536-I552 HydrophobicContact CG-CD1 4.26Å; I552-A571 WeakPolarHBondContact CA-O 3.33Å; I552-M573 HydrophobicContact CG2-CG 3.84Å; I552-M573 HydrophobicContact CG2-SD 4.37Å; I552-L890 HydrophobicContact CD1-CD1 3.86Å; I552-L890 HydrophobicContact CG2-CD1 4.26Å; I552-L893 HydrophobicContact CG1-CD2 4.31Å; I552-L893 HydrophobicContact CG2-CD2 3.93Å; I552-Y894 HydrophobicContact CD1-CE1 3.69Å; I552-M897 HydrophobicContact CD1-CE 4.31Å; I552-M897 HydrophobicContact CG1-CE 3.92Å
553	T	98.8	Very high	98.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	-161.8	-175	-171.3	0	0	0	0	108.9	I551 S558 L570 A571 Y572 M573	I551-T553 PolarHBondContact O-N 3.13Å; T553-S558 WeakPolarHBondContact OG1-CB 3.49Å; T553-S558 PolarHBondContact OG1-OG 3.26Å; T553-L570 HydrophobicContact CG2-CB 4.43Å; T553-L570 HydrophobicContact CG2-CD2 4.14Å; T553-A571 PolarHBondContact N-O 3.39Å; T553-Y572 HydrophobicContact CG2-CD1 3.83Å; T553-Y572 HydrophobicContact CG2-CE1 3.82Å; T553-Y572 CarbonylContact O-C 3.12Å; T553-Y572 WeakPolarHBondContact O-CA 3.34Å; T553-M573 PolarHBondContact O-N 2.9Å
554	D	98.8	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.			trans	-144	170.4	173.7	62.7	81.7	0	0	0	111.1	E556 T557 S558 T576 F577 S832	D554-E556 VanDerWaalsContact C-N 3.31Å; D554-E556 PolarHBondContact O-N 3.08Å; D554-E556 WeakPolarHBondContact OD1-CA 3.36Å; D554-E556 WeakPolarHBondContact OD1-CB 3.45Å; D554-E556 PolarHBondContact OD1-N 3.1Å; D554-T557 VanDerWaalsContact CG-OG1 3.3Å; D554-T557 PolarHBondContact O-N 3.44Å; D554-T557 WeakPolarHBondContact OD1-CB 3.45Å; D554-T557 PolarHBondContact OD1-N 3.12Å; D554-T557 PolarHBondContact OD1-OG1 2.83Å; D554-T557 VanDerWaalsContact OD1-OG1 3.13Å; D554-T557 WeakPolarHBondContact OD2-CB 3.36Å; D554-T557 PolarHBondContact OD2-OG1 2.79Å; D554-S558 PolarHBondContact O-N 2.65Å; D554-T576 WeakPolarHBondContact OD2-CA 3.33Å; D554-T576 PolarHBondContact OD2-OG1 3.35Å; D554-F577 VanDerWaalsContact OD2-CD1 3.31Å; D554-F577 WeakPolarHBondContact OD2-CD1 3.3Å; D554-F577 PolarHBondContact OD2-N 3.37Å; D554-S832 PolarHBondContact OD1-OG 3.23Å; D554-S832 PolarHBondContact OD2-OG 2.91Å
555	Q	98.3	Very high	97.8	Very high	92 Å²	92	39.3 Å²	39.3	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-38	-177	178.1	65.1	46.7	0	0	113	P559 Y572	Q555-P559 VanDerWaalsContact O-CA 3.27Å; Q555-P559 WeakPolarHBondContact O-CA 3.21Å; Q555-P559 WeakPolarHBondContact O-CB 3.45Å; Q555-Y572 HydrophobicContact CB-CD2 4.34Å; Q555-Y572 HydrophobicContact CB-CE2 4.17Å
556	E	98.4	Very high	97.9	Very high	76 Å²	76	39.7 Å²	39.7	36%	0.355	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-41.6	-177.1	-60.4	-55.8	144.8	0	0	110.9	D554 R828 T835	D554-E556 VanDerWaalsContact C-N 3.31Å; D554-E556 PolarHBondContact O-N 3.08Å; D554-E556 WeakPolarHBondContact OD1-CA 3.36Å; D554-E556 WeakPolarHBondContact OD1-CB 3.45Å; D554-E556 PolarHBondContact OD1-N 3.1Å; E556-R828 VanDerWaalsContact O-CZ 3.23Å; E556-R828 PolarHBondContact O-NE 3.16Å; E556-R828 PolarHBondContact O-NH2 2.89Å; E556-T835 HydrophobicContact CG-CG2 3.87Å
557	T	98.8	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-43.5	178.5	-61.8	0	0	0	0	111.8	D554 F577 L825 R828 S832	D554-T557 VanDerWaalsContact CG-OG1 3.3Å; D554-T557 PolarHBondContact O-N 3.44Å; D554-T557 WeakPolarHBondContact OD1-CB 3.45Å; D554-T557 PolarHBondContact OD1-N 3.12Å; D554-T557 PolarHBondContact OD1-OG1 2.83Å; D554-T557 VanDerWaalsContact OD1-OG1 3.13Å; D554-T557 WeakPolarHBondContact OD2-CB 3.36Å; D554-T557 PolarHBondContact OD2-OG1 2.79Å; T557-F577 HydrophobicContact CG2-CD1 4.12Å; T557-F577 HydrophobicContact CG2-CE1 3.73Å; T557-L825 HydrophobicContact CG2-CD1 4.43Å; T557-L825 HydrophobicContact CG2-CD2 3.96Å; T557-L825 HydrophobicContact CG2-CG 3.61Å; T557-R828 WeakPolarHBondContact O-CD 3.39Å; T557-R828 PolarHBondContact O-NE 3.34Å; T557-S832 WeakPolarHBondContact OG1-CB 3.17Å; T557-S832 PolarHBondContact OG1-OG 2.88Å
558	S	98.5	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-136.8	69.8	-172.2	-60.9	0	0	0	0	110.9	T553 D554 Y566 Y572	T553-S558 WeakPolarHBondContact OG1-CB 3.49Å; T553-S558 PolarHBondContact OG1-OG 3.26Å; D554-S558 PolarHBondContact O-N 2.65Å; S558-Y566 PolarHBondContact OG-OH 2.87Å; S558-Y572 WeakPolarHBondContact O-CE1 3.33Å; S558-Y572 PolarHBondContact O-OH 3.23Å
559	P	97.8	Very high	97.9	Very high	10 Å²	10	37.1 Å²	37.1	7%	0.065	19%	0.193	C	C	.	.			trans	-62.7	150.1	-178.8	26.3	-32.9	0	0	0	110.9	Q555 E561 V562	Q555-P559 VanDerWaalsContact O-CA 3.27Å; Q555-P559 WeakPolarHBondContact O-CA 3.21Å; Q555-P559 WeakPolarHBondContact O-CB 3.45Å; P559-E561 HydrophobicContact CB-CG 4.05Å; P559-E561 HydrophobicContact CG-CG 4.01Å; P559-E561 PolarHBondContact O-N 2.89Å; P559-V562 HydrophobicContact CG-CG2 3.93Å; P559-V562 WeakPolarHBondContact O-CG2 3.34Å; P559-V562 PolarHBondContact O-N 3Å
560	A	95.7	Very high	97.9	Very high	53 Å²	53	36.4 Å²	36.4	44%	0.438	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-55.6	-29.1	-173.7	0	0	0	0	0	114	V562 A563 Y572	A560-V562 PolarHBondContact O-N 3.47Å; A560-A563 VanDerWaalsContact O-CB 3.22Å; A560-A563 WeakPolarHBondContact O-CB 3.39Å; A560-A563 PolarHBondContact O-N 3.28Å; A560-A563 VanDerWaalsContact O-N 3.09Å; A560-Y572 PolarHBondContact N-OH 3.25Å
561	E	96.3	Very high	97.9	Very high	165 Å²	165	36.2 Å²	36.2	77%	0.771	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-60	-25.6	177.2	61.8	-173.3	-170.8	0	0	114.3	P559	P559-E561 HydrophobicContact CB-CG 4.05Å; P559-E561 HydrophobicContact CG-CG 4.01Å; P559-E561 PolarHBondContact O-N 2.89Å
562	V	96.3	Very high	97.9	Very high	27 Å²	27	37.2 Å²	37.2	16%	0.164	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-108.6	18.1	177.1	-65.2	0	0	0	0	112.3	P559 A560 E564 Q565	P559-V562 HydrophobicContact CG-CG2 3.93Å; P559-V562 WeakPolarHBondContact O-CG2 3.34Å; P559-V562 PolarHBondContact O-N 3Å; A560-V562 PolarHBondContact O-N 3.47Å; V562-E564 PolarHBondContact O-N 3.37Å; V562-Q565 VanDerWaalsContact O-CG 3.25Å; V562-Q565 WeakPolarHBondContact O-CG 3.5Å; V562-Q565 PolarHBondContact O-N 2.84Å
563	A	96.8	Very high	97.9	Very high	23 Å²	23	37.2 Å²	37.2	19%	0.19	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-55	-29.4	-180	0	0	0	0	0	113	A560 Q565 Y566 L570	A560-A563 VanDerWaalsContact O-CB 3.22Å; A560-A563 WeakPolarHBondContact O-CB 3.39Å; A560-A563 PolarHBondContact O-N 3.28Å; A560-A563 VanDerWaalsContact O-N 3.09Å; A563-Q565 PolarHBondContact O-N 3.47Å; A563-Y566 PolarHBondContact O-N 2.99Å; A563-Y566 VanDerWaalsContact O-N 3.11Å; A563-L570 HydrophobicContact CB-CD1 3.89Å; A563-L570 HydrophobicContact CB-CG 4.48Å
564	E	94.5	Very high	97.8	Very high	174 Å²	174	40.9 Å²	40.9	81%	0.813	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-63.1	-22.2	179.4	-60.6	-167.5	172.8	0	0	114.3	K395 V562 Y566	K395-E564 WeakPolarHBondContact CD-O 3.44Å; K395-E564 PolarHBondContact NZ-O 3.33Å; V562-E564 PolarHBondContact O-N 3.37Å; E564-Y566 PolarHBondContact O-N 3.15Å
565	Q	97.2	Very high	97.8	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.075	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-68.8	-12.3	176.6	84.4	-178.3	-66	0	0	112.7	H391 T542 V562 A563 E823	H391-Q565 HydrophobicContact CB-CB 3.76Å; T542-Q565 WeakPolarHBondContact CG2-O 3.49Å; V562-Q565 VanDerWaalsContact O-CG 3.25Å; V562-Q565 WeakPolarHBondContact O-CG 3.5Å; V562-Q565 PolarHBondContact O-N 2.84Å; A563-Q565 PolarHBondContact O-N 3.47Å; Q565-E823 PolarHBondContact NE2-O 2.87Å
566	Y	98.6	Very high	97.8	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.031	21%	0.213	C	C	.	.			trans	-107.3	149.1	179.9	-51.4	-81.3	0	0	0	111.4	K395 I551 S558 A563 E564 L570 L825	K395-Y566 WeakPolarHBondContact CE-O 3.47Å; K395-Y566 PolarHBondContact NZ-O 2.95Å; I551-Y566 HydrophobicContact CD1-CD1 3.94Å; I551-Y566 HydrophobicContact CD1-CE1 4.02Å; I551-Y566 HydrophobicContact CG2-CD1 4.4Å; I551-Y566 HydrophobicContact CG2-CG 4.5Å; S558-Y566 PolarHBondContact OG-OH 2.87Å; A563-Y566 PolarHBondContact O-N 2.99Å; A563-Y566 VanDerWaalsContact O-N 3.11Å; E564-Y566 PolarHBondContact O-N 3.15Å; Y566-L570 HydrophobicContact CD2-CD2 3.6Å; Y566-L570 HydrophobicContact CE2-CD2 3.98Å; Y566-L570 HydrophobicContact CG-CD2 4.08Å; Y566-L825 HydrophobicContact CE1-CB 4.4Å; Y566-L825 HydrophobicContact CE1-CD1 3.96Å
567	S	98.5	Very high	97.8	Very high	38 Å²	38	37 Å²	37	27%	0.266	20%	0.198	S	C	.	.	S	Bend	trans	-84.8	-33.3	167.3	45.5	0	0	0	0	111.6	T542 G544 A545	T542-S567 PolarHBondContact OG1-N 2.77Å; T542-S567 VanDerWaalsContact OG1-N 3.13Å; T542-S567 PolarHBondContact OG1-OG 2.91Å; T542-S567 VanDerWaalsContact OG1-OG 3.13Å; G544-S567 VanDerWaalsContact C-OG 3.27Å; G544-S567 WeakPolarHBondContact CA-OG 3.49Å; G544-S567 PolarHBondContact N-OG 3.32Å; A545-S567 PolarHBondContact N-OG 3.26Å
568	E	98.8	Very high	97.8	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.019	20%	0.199	C	C	.	.	S	Bend	trans	-80	161	-176.9	-54.5	88.5	154.8	0	0	111.1	M535 T542 S543 M548 I551	M535-E568 HydrophobicContact CG-CG 4.37Å; M535-E568 WeakPolarHBondContact CG-OE1 3.13Å; T542-E568 PolarHBondContact OG1-OE2 3.25Å; S543-E568 WeakPolarHBondContact CA-OE1 3.48Å; S543-E568 WeakPolarHBondContact CB-OE1 3.34Å; S543-E568 PolarHBondContact N-OE1 3.28Å; S543-E568 PolarHBondContact OG-OE1 3.43Å; M548-E568 HydrophobicContact CB-CG 3.78Å; I551-E568 HydrophobicContact CB-CB 3.98Å; I551-E568 HydrophobicContact CB-CG 4.39Å; I551-E568 HydrophobicContact CG2-CB 3.95Å
569	K	98.8	Very high	97.8	Very high	65 Å²	65	37.4 Å²	37.4	28%	0.283	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.7	170	-60.6	-61.7	-174.1	168.6	0	110.7	D549 Y550 I551 A571 P907 D908	D549-K569 PolarHBondContact O-N 3.16Å; Y550-K569 CarbonylContact C-O 3.58Å; Y550-K569 VanDerWaalsContact CA-O 3.29Å; Y550-K569 WeakPolarHBondContact CA-O 3.47Å; Y550-K569 HydrophobicContact CD1-CB 3.76Å; Y550-K569 HydrophobicContact CE1-CB 3.9Å; I551-K569 PolarHBondContact N-O 3.16Å; K569-A571 PolarHBondContact O-N 2.94Å; K569-P907 WeakPolarHBondContact CE-O 3.27Å; K569-P907 HydrophobicContact CG-CB 4.06Å; K569-D908 IonicContact NZ-OD1 3.07Å
570	L	98.8	Very high	97.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.8	177.4	-53.9	-176.8	0	0	0	109.7	I551 T553 A563 Y566 Y572 H909 M910 I911	I551-L570 HydrophobicContact CG2-CD2 3.78Å; T553-L570 HydrophobicContact CG2-CB 4.43Å; T553-L570 HydrophobicContact CG2-CD2 4.14Å; A563-L570 HydrophobicContact CB-CD1 3.89Å; A563-L570 HydrophobicContact CB-CG 4.48Å; Y566-L570 HydrophobicContact CD2-CD2 3.6Å; Y566-L570 HydrophobicContact CE2-CD2 3.98Å; Y566-L570 HydrophobicContact CG-CD2 4.08Å; L570-Y572 HydrophobicContact CB-CD1 4.28Å; L570-Y572 HydrophobicContact CB-CE1 3.79Å; L570-Y572 HydrophobicContact CD1-CE1 3.97Å; L570-Y572 WeakPolarHBondContact CD1-OH 3.49Å; L570-Y572 HydrophobicContact CG-CE1 4.43Å; L570-H909 PolarHBondContact N-ND1 2.94Å; L570-M910 PolarHBondContact O-N 3Å; L570-I911 HydrophobicContact CB-CG2 4.47Å
571	A	98.8	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	110	173.3	0	0	0	0	0	109.4	Y550 I551 I552 T553 K569 L893 M897 M910	Y550-A571 HydrophobicContact CD1-CB 3.99Å; I551-A571 PolarHBondContact O-N 3.37Å; I552-A571 WeakPolarHBondContact CA-O 3.33Å; T553-A571 PolarHBondContact N-O 3.39Å; K569-A571 PolarHBondContact O-N 2.94Å; A571-L893 HydrophobicContact CB-CD1 4.11Å; A571-L893 HydrophobicContact CB-CD2 4.08Å; A571-L893 HydrophobicContact CB-CG 4.39Å; A571-M897 HydrophobicContact CB-CE 3.25Å; A571-M910 HydrophobicContact CB-CB 4.43Å
572	Y	98.8	Very high	98.1	Very high	26 Å²	26	26.7 Å²	26.7	10%	0.102	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.5	-169.3	-70.5	-12.6	0	0	0	113.2	T553 Q555 S558 A560 L570 M910 I911	T553-Y572 HydrophobicContact CG2-CD1 3.83Å; T553-Y572 HydrophobicContact CG2-CE1 3.82Å; T553-Y572 CarbonylContact O-C 3.12Å; T553-Y572 WeakPolarHBondContact O-CA 3.34Å; Q555-Y572 HydrophobicContact CB-CD2 4.34Å; Q555-Y572 HydrophobicContact CB-CE2 4.17Å; S558-Y572 WeakPolarHBondContact O-CE1 3.33Å; S558-Y572 PolarHBondContact O-OH 3.23Å; A560-Y572 PolarHBondContact N-OH 3.25Å; L570-Y572 HydrophobicContact CB-CD1 4.28Å; L570-Y572 HydrophobicContact CB-CE1 3.79Å; L570-Y572 HydrophobicContact CD1-CE1 3.97Å; L570-Y572 WeakPolarHBondContact CD1-OH 3.49Å; L570-Y572 HydrophobicContact CG-CE1 4.43Å; Y572-M910 PolarHBondContact N-O 3.43Å; Y572-I911 HydrophobicContact CD2-CB 3.94Å; Y572-I911 HydrophobicContact CD2-CG2 3.77Å; Y572-I911 HydrophobicContact CE1-CG2 4.39Å; Y572-I911 HydrophobicContact CE2-CB 3.84Å; Y572-I911 HydrophobicContact CE2-CG2 3.46Å; Y572-I911 VanDerWaalsContact CE2-CG2 3.46Å; Y572-I911 HydrophobicContact CG-CG2 4.32Å
573	M	98.7	Very high	98.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.141	C	C	.	.			trans	-67	145.2	152.6	-67.6	-64	-70.7	0	0	109	I552 T553 H575 F577 Y886 E889 L890 L893	I552-M573 HydrophobicContact CG2-CG 3.84Å; I552-M573 HydrophobicContact CG2-SD 4.37Å; T553-M573 PolarHBondContact O-N 2.9Å; M573-H575 VanDerWaalsContact C-N 3.28Å; M573-H575 PolarHBondContact O-N 2.84Å; M573-F577 HydrophobicContact CG-CB 4.37Å; M573-Y886 HydrophobicContact CE-CD1 4.23Å; M573-Y886 HydrophobicContact CE-CD2 3.86Å; M573-Y886 HydrophobicContact CE-CE1 4.06Å; M573-Y886 HydrophobicContact CE-CE2 3.72Å; M573-Y886 HydrophobicContact CE-CG 4.13Å; M573-E889 HydrophobicContact CE-CB 3.68Å; M573-L890 HydrophobicContact CE-CB 4.11Å; M573-L890 HydrophobicContact SD-CB 4.17Å; M573-L890 HydrophobicContact SD-CD1 4Å; M573-L893 HydrophobicContact SD-CD2 4.05Å
574	P	97.6	Very high	98.3	Very high	79 Å²	79	29 Å²	29	51%	0.513	15%	0.151	S	C	.	.	S	Bend	trans	-72.9	-18.1	-171.2	28.7	-36	0	0	0	114.3	E889	P574-E889 HydrophobicContact CG-CB 4.02Å; P574-E889 HydrophobicContact CG-CG 3.69Å; P574-E889 VanDerWaalsContact CG-OE2 3.24Å; P574-E889 WeakPolarHBondContact CG-OE2 3.34Å
575	H	97.9	Very high	98.5	Very high	76 Å²	76	21 Å²	21	35%	0.352	11%	0.113	S	C	.	.	S	Bend	trans	-119.5	-78.4	-179.2	-62.5	-58.9	0	0	0	111.4	M573 C836 E889	M573-H575 VanDerWaalsContact C-N 3.28Å; M573-H575 PolarHBondContact O-N 2.84Å; H575-C836 HydrophobicContact CB-CB 4.4Å; H575-E889 IonicContact CD2-OE1 3.04Å; H575-E889 PolarHBondContact CD2-OE1 2.95Å; H575-E889 IonicContact CD2-OE2 3.47Å; H575-E889 IonicContact NE2-OE1 2.83Å
576	T	98.8	Very high	98.6	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.025	11%	0.11	C	C	.	.			trans	-139.4	147.1	173.3	-180	0	0	0	0	108.5	D554 F578 S832 C836 L880	D554-T576 WeakPolarHBondContact OD2-CA 3.33Å; D554-T576 PolarHBondContact OD2-OG1 3.35Å; T576-F578 WeakPolarHBondContact CG2-O 3.3Å; T576-F578 PolarHBondContact O-N 3.16Å; T576-F578 PolarHBondContact OG1-N 3.03Å; T576-S832 WeakPolarHBondContact CB-OG 3.18Å; T576-S832 PolarHBondContact OG1-OG 3.38Å; T576-C836 HydrophobicContact CG2-CB 3.63Å; T576-L880 HydrophobicContact CG2-CD1 3.87Å
577	F	98.8	Very high	98.6	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.031	12%	0.118	C	C	.	.	S	Bend	trans	-72.8	-15.3	171.5	90.2	-74.3	0	0	0	112.3	D554 T557 M573 L825 V829 Y886	D554-F577 VanDerWaalsContact OD2-CD1 3.31Å; D554-F577 WeakPolarHBondContact OD2-CD1 3.3Å; D554-F577 PolarHBondContact OD2-N 3.37Å; T557-F577 HydrophobicContact CG2-CD1 4.12Å; T557-F577 HydrophobicContact CG2-CE1 3.73Å; M573-F577 HydrophobicContact CG-CB 4.37Å; F577-L825 HydrophobicContact CE1-CD2 4.48Å; F577-L825 HydrophobicContact CZ-CD2 4.12Å; F577-V829 HydrophobicContact CE1-CG2 4.12Å; F577-V829 HydrophobicContact CZ-CG2 4.29Å; F577-Y886 WeakPolarHBondContact O-CE2 3.39Å; F577-Y886 PolarHBondContact O-OH 3.08Å
578	F	98.6	Very high	98.6	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.026	11%	0.106	C	C	.	.			trans	-82.6	143.1	-177.2	-138.2	-97.2	0	0	0	111.4	L447 L537 T576 H804 M808 V829 Q833	L447-F578 HydrophobicContact CD1-CE1 3.95Å; L447-F578 HydrophobicContact CD1-CZ 3.71Å; L447-F578 HydrophobicContact CD2-CE1 3.89Å; L447-F578 HydrophobicContact CD2-CZ 4.46Å; L537-F578 HydrophobicContact CD1-CD2 4.17Å; L537-F578 HydrophobicContact CD1-CE2 4.13Å; T576-F578 WeakPolarHBondContact CG2-O 3.3Å; T576-F578 PolarHBondContact O-N 3.16Å; T576-F578 PolarHBondContact OG1-N 3.03Å; F578-H804 VanDerWaalsContact CE1-C 3.5Å; F578-H804 HydrophobicContact CE1-CB 4.4Å; F578-H804 WeakPolarHBondContact CE1-O 3.33Å; F578-H804 HydrophobicContact CE2-CB 3.85Å; F578-H804 HydrophobicContact CZ-CB 3.55Å; F578-M808 HydrophobicContact CD1-CG 3.49Å; F578-M808 VanDerWaalsContact CD1-CG 3.49Å; F578-M808 HydrophobicContact CD1-SD 3.89Å; F578-M808 HydrophobicContact CE1-CG 3.56Å; F578-V829 HydrophobicContact CB-CG1 4.44Å; F578-V829 HydrophobicContact CD2-CG1 3.64Å; F578-V829 HydrophobicContact CE2-CG1 4.04Å; F578-V829 HydrophobicContact CG-CG1 3.97Å; F578-Q833 HydrophobicContact CB-CG 4.27Å
579	I	98.7	Very high	98.6	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.105	C	C	.	.			trans	-141.4	160.6	179.5	-168.8	53.8	0	0	0	109.7	L447 L537 T883 Y886	L447-I579 WeakPolarHBondContact CB-O 3.43Å; L447-I579 WeakPolarHBondContact CD2-O 3.43Å; L537-I579 HydrophobicContact CD2-CG2 4.36Å; I579-T883 HydrophobicContact CD1-CG2 4.09Å; I579-T883 HydrophobicContact CG1-CG2 3.93Å; I579-Y886 HydrophobicContact CB-CD1 4.3Å; I579-Y886 HydrophobicContact CB-CD2 3.79Å; I579-Y886 HydrophobicContact CB-CE1 4.29Å; I579-Y886 HydrophobicContact CB-CE2 3.74Å; I579-Y886 HydrophobicContact CB-CG 4.07Å; I579-Y886 HydrophobicContact CD1-CD2 3.83Å; I579-Y886 HydrophobicContact CD1-CG 3.83Å; I579-Y886 HydrophobicContact CG1-CD1 4.15Å; I579-Y886 HydrophobicContact CG1-CD2 3.95Å; I579-Y886 HydrophobicContact CG1-CE2 4.39Å; I579-Y886 HydrophobicContact CG1-CG 3.81Å; I579-Y886 HydrophobicContact CG2-CE1 4.2Å; I579-Y886 HydrophobicContact CG2-CE2 4.33Å
580	G	98.4	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.			trans	-144.8	138.1	175.4	0	0	0	0	0	112.5	L447 H582	L447-G580 CarbonylContact O-C 3.59Å; G580-H582 WeakPolarHBondContact CA-ND1 3.43Å; G580-H582 PolarHBondContact O-N 3.44Å
581	D	98.7	Very high	98.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	12.5	178.9	-160.7	51.9	0	0	0	112.9	H446 L447 Q449 S450 A583 N584 M585	H446-D581 VanDerWaalsContact O-CB 3.28Å; H446-D581 WeakPolarHBondContact O-CB 3.5Å; H446-D581 PolarHBondContact O-N 3.11Å; L447-D581 PolarHBondContact O-N 3.18Å; Q449-D581 VanDerWaalsContact CD-OD2 3.31Å; Q449-D581 HydrophobicContact CG-CB 4.17Å; Q449-D581 WeakPolarHBondContact CG-OD2 3.5Å; Q449-D581 PolarHBondContact NE2-OD2 3.28Å; S450-D581 WeakPolarHBondContact CB-OD1 3.49Å; S450-D581 PolarHBondContact OG-OD1 2.99Å; S450-D581 PolarHBondContact OG-OD2 3.49Å; D581-A583 PolarHBondContact O-N 3.28Å; D581-A583 VanDerWaalsContact O-N 3.1Å; D581-N584 PolarHBondContact O-N 3.48Å; D581-N584 PolarHBondContact OD2-ND2 2.94Å; D581-M585 HydrophobicContact CB-CG 4.29Å; D581-M585 HydrophobicContact CB-SD 4.25Å; D581-M585 PolarHBondContact O-N 3.26Å
582	H	98.8	Very high	98.2	Very high	2 Å²	2	28 Å²	28	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-56.3	-32	-174.3	-56.5	67.9	0	0	0	113.6	G580 N584 F586 M808 D809 W812 F881	G580-H582 WeakPolarHBondContact CA-ND1 3.43Å; G580-H582 PolarHBondContact O-N 3.44Å; H582-N584 PolarHBondContact O-N 2.9Å; H582-F586 HydrophobicContact CB-CD2 4.08Å; H582-F586 AromaticContact CD2-CD2 3.94Å; H582-F586 AromaticContact CD2-CE2 3.93Å; H582-F586 CarbonylContact O-C 3.59Å; H582-F586 WeakPolarHBondContact O-CA 3.47Å; H582-F586 PolarHBondContact O-N 3.45Å; H582-M808 VanDerWaalsContact CE1-CB 3.43Å; H582-M808 WeakPolarHBondContact CE1-CB 3.21Å; H582-D809 IonicContact CD2-OD1 3.2Å; H582-D809 IonicContact CE1-OD1 3.84Å; H582-D809 IonicContact NE2-OD1 3.97Å; H582-D809 PolarHBondContact NE2-OD1 3.43Å; H582-W812 HydrophobicContact CB-CB 4.03Å; H582-W812 HydrophobicContact CB-CD2 3.48Å; H582-W812 VanDerWaalsContact CB-CD2 3.48Å; H582-W812 HydrophobicContact CB-CE3 3.94Å; H582-W812 HydrophobicContact CB-CG 3.5Å; H582-W812 WeakPolarHBondContact O-CZ2 3.32Å; H582-F881 HydrophobicContact CB-CD1 3.89Å; H582-F881 HydrophobicContact CB-CE1 3.96Å; H582-F881 AromaticContact CG-CE1 3.69Å; H582-F881 AromaticContact ND1-CD1 3.83Å; H582-F881 AromaticContact ND1-CE1 3.53Å
583	A	98.4	Very high	98.2	Very high	24 Å²	24	26.8 Å²	26.8	20%	0.198	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-26.6	177.4	0	0	0	0	0	113.7	D581 K590 W812	D581-A583 PolarHBondContact O-N 3.28Å; D581-A583 VanDerWaalsContact O-N 3.1Å; A583-K590 WeakPolarHBondContact O-CE 3.42Å; A583-K590 PolarHBondContact O-NZ 3.38Å; A583-K590 VanDerWaalsContact O-NZ 3.11Å; A583-W812 VanDerWaalsContact CA-CH2 3.45Å; A583-W812 HydrophobicContact CB-CH2 3.71Å; A583-W812 HydrophobicContact CB-CZ2 4.36Å; A583-W812 HydrophobicContact CB-CZ3 4.2Å
584	N	98.4	Very high	98.1	Very high	75 Å²	75	26.8 Å²	26.8	40%	0.401	14%	0.138	S	C	.	.	H	α-helix	trans	-95.1	-44.6	176	173.2	64.8	0	0	0	111.8	D581 H582 P587	D581-N584 PolarHBondContact O-N 3.48Å; D581-N584 PolarHBondContact OD2-ND2 2.94Å; H582-N584 PolarHBondContact O-N 2.9Å; N584-P587 VanDerWaalsContact O-CD 3.3Å; N584-P587 WeakPolarHBondContact O-CD 3.43Å
585	M	98.6	Very high	98	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-70.5	-39.9	-179.3	-69	180	66.7	0	0	113.4	H446 Q449 F475 D581 P587	H446-M585 HydrophobicContact CB-CE 4.35Å; H446-M585 HydrophobicContact CB-SD 4.04Å; Q449-M585 VanDerWaalsContact NE2-CG 3.34Å; F475-M585 HydrophobicContact CE1-CE 3.53Å; F475-M585 HydrophobicContact CE1-SD 4.14Å; F475-M585 HydrophobicContact CZ-CE 3.75Å; D581-M585 HydrophobicContact CB-CG 4.29Å; D581-M585 HydrophobicContact CB-SD 4.25Å; D581-M585 PolarHBondContact O-N 3.26Å; M585-P587 WeakPolarHBondContact O-CD 3.49Å
586	F	98.8	Very high	97.7	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.108	C	C	.	.			trans	-126.7	52.8	-171.3	-44.3	-60	0	0	0	113.1	H582 H588 L589 K782 E783 V786 W812	H582-F586 HydrophobicContact CB-CD2 4.08Å; H582-F586 AromaticContact CD2-CD2 3.94Å; H582-F586 AromaticContact CD2-CE2 3.93Å; H582-F586 CarbonylContact O-C 3.59Å; H582-F586 WeakPolarHBondContact O-CA 3.47Å; H582-F586 PolarHBondContact O-N 3.45Å; F586-H588 PolarHBondContact O-N 2.79Å; F586-L589 HydrophobicContact CB-CD1 3.91Å; F586-L589 HydrophobicContact CB-CG 4.12Å; F586-L589 HydrophobicContact CG-CD1 4.49Å; F586-L589 PolarHBondContact O-N 3.45Å; F586-L589 VanDerWaalsContact O-N 3.13Å; F586-K782 HydrophobicContact CZ-CG 3.92Å; F586-E783 HydrophobicContact CD1-CB 4.45Å; F586-E783 HydrophobicContact CD1-CG 4.24Å; F586-E783 HydrophobicContact CE1-CB 4.06Å; F586-E783 HydrophobicContact CE1-CG 4.35Å; F586-V786 HydrophobicContact CD2-CB 4.47Å; F586-V786 HydrophobicContact CD2-CG1 4.13Å; F586-V786 HydrophobicContact CD2-CG2 4.28Å; F586-V786 HydrophobicContact CE2-CB 4.4Å; F586-V786 HydrophobicContact CE2-CG1 4.45Å; F586-V786 HydrophobicContact CE2-CG2 3.78Å; F586-V786 HydrophobicContact CZ-CG2 4.12Å; F586-W812 PolarHBondContact O-NE1 3.26Å
587	P	98.6	Very high	96.7	Very high	30 Å²	30	25 Å²	25	20%	0.195	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-67.5	-23.9	-178.6	29	-34.7	0	0	0	112.3	N584 M585 L589 K590 I613 V697	N584-P587 VanDerWaalsContact O-CD 3.3Å; N584-P587 WeakPolarHBondContact O-CD 3.43Å; M585-P587 WeakPolarHBondContact O-CD 3.49Å; P587-L589 PolarHBondContact O-N 3Å; P587-K590 HydrophobicContact CB-CD 4.41Å; P587-K590 VanDerWaalsContact O-CB 3.28Å; P587-K590 WeakPolarHBondContact O-CB 3.31Å; P587-K590 WeakPolarHBondContact O-CG 3.5Å; P587-K590 PolarHBondContact O-N 3.22Å; P587-I613 HydrophobicContact CB-CD1 4.45Å; P587-I613 HydrophobicContact CG-CD1 4.22Å; P587-V697 HydrophobicContact CG-CB 4.38Å; P587-V697 HydrophobicContact CG-CG1 3.75Å; P587-V697 HydrophobicContact CG-CG2 3.64Å
588	H	98.5	Very high	95	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.014	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-62.7	-21.2	174	65	-60.7	0	0	0	112.9	F586 I613 E783	F586-H588 PolarHBondContact O-N 2.79Å; H588-I613 HydrophobicContact CB-CD1 4.09Å; H588-I613 HydrophobicContact CB-CG1 4.4Å; H588-E783 IonicContact CD2-OE1 2.95Å; H588-E783 IonicContact CE1-OE1 2.93Å; H588-E783 IonicContact NE2-OE1 2.67Å; H588-E783 PolarHBondContact NE2-OE1 3.39Å
589	L	98.6	Very high	93.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-87.3	-1.2	175.6	-53.3	-176.5	0	0	0	113.3	F586 P587 K591 N611 V786 R787 W872 R875	F586-L589 HydrophobicContact CB-CD1 3.91Å; F586-L589 HydrophobicContact CB-CG 4.12Å; F586-L589 HydrophobicContact CG-CD1 4.49Å; F586-L589 PolarHBondContact O-N 3.45Å; F586-L589 VanDerWaalsContact O-N 3.13Å; P587-L589 PolarHBondContact O-N 3Å; L589-K591 PolarHBondContact O-N 3.1Å; L589-N611 HydrophobicContact CD2-CB 3.8Å; L589-V786 HydrophobicContact CD1-CB 4.43Å; L589-V786 HydrophobicContact CD1-CG1 3.74Å; L589-R787 HydrophobicContact CD1-CB 4.21Å; L589-R787 HydrophobicContact CD2-CB 4.07Å; L589-R787 HydrophobicContact CD2-CG 3.96Å; L589-W872 WeakPolarHBondContact O-CH2 3.43Å; L589-R875 PolarHBondContact O-NH2 2.99Å
590	K	96.9	Very high	91.2	Very high	91 Å²	91	42.1 Å²	42.1	40%	0.396	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-63.7	-26.8	174.5	-71.4	178.9	-177.7	171.9	0	112.5	A583 P587 W812 W872 R875 I876	A583-K590 WeakPolarHBondContact O-CE 3.42Å; A583-K590 PolarHBondContact O-NZ 3.38Å; A583-K590 VanDerWaalsContact O-NZ 3.11Å; P587-K590 HydrophobicContact CB-CD 4.41Å; P587-K590 VanDerWaalsContact O-CB 3.28Å; P587-K590 WeakPolarHBondContact O-CB 3.31Å; P587-K590 WeakPolarHBondContact O-CG 3.5Å; P587-K590 PolarHBondContact O-N 3.22Å; K590-W812 HydrophobicContact CG-CH2 4.09Å; K590-W812 HydrophobicContact CG-CZ2 3.84Å; K590-W872 WeakPolarHBondContact O-CZ2 3.13Å; K590-R875 PolarHBondContact O-NH2 2.89Å; K590-R875 VanDerWaalsContact O-NH2 3.15Å; K590-I876 HydrophobicContact CG-CD1 4.23Å
591	K	95.4	Very high	89.6	Confident	147 Å²	147	45.6 Å²	45.6	64%	0.639	24%	0.244	S	C	*	.	S	Bend	trans	-128.9	153.3	176	-66.1	-178.5	-178.1	176.6	0	109.8	L589 N611	L589-K591 PolarHBondContact O-N 3.1Å; K591-N611 PolarHBondContact O-ND2 3.44Å
592	K	97.2	Very high	88.7	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.039	26%	0.26	C	S	.	.			trans	-140.8	152.6	173.5	67.9	178.4	178.7	173.9	0	110.5	D605 V609 L610 N611 P649 W872	K592-D605 PolarHBondContact NZ-O 3.28Å; K592-D605 IonicContact NZ-OD2 2.97Å; K592-D605 PolarHBondContact NZ-OD2 3.18Å; K592-V609 HydrophobicContact CB-CG1 3.89Å; K592-V609 HydrophobicContact CD-CG1 4.17Å; K592-L610 WeakPolarHBondContact CA-O 3.47Å; K592-N611 WeakPolarHBondContact CB-ND2 3.47Å; K592-P649 WeakPolarHBondContact O-CD 3.36Å; K592-W872 HydrophobicContact CB-CH2 4.05Å; K592-W872 HydrophobicContact CB-CZ2 4.47Å; K592-W872 HydrophobicContact CD-CH2 3.83Å; K592-W872 HydrophobicContact CD-CZ2 4.38Å; K592-W872 HydrophobicContact CD-CZ3 4Å; K592-W872 HydrophobicContact CG-CH2 3.73Å; K592-W872 HydrophobicContact CG-CZ2 3.94Å; K592-W872 HydrophobicContact CG-CZ3 4.4Å
593	A	97.9	Very high	88.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	162.9	164.7	0	0	0	0	0	109.3	V609 L610 L615 L619 P649	A593-V609 WeakPolarHBondContact O-CA 3.26Å; A593-L610 HydrophobicContact CB-CB 4.44Å; A593-L610 PolarHBondContact N-O 3.08Å; A593-L610 PolarHBondContact O-N 3.39Å; A593-L615 HydrophobicContact CB-CD1 4.2Å; A593-L615 HydrophobicContact CB-CD2 4.09Å; A593-L615 HydrophobicContact CB-CG 4.48Å; A593-L619 HydrophobicContact CB-CD1 4.02Å; A593-L619 HydrophobicContact CB-CD2 3.97Å; A593-P649 WeakPolarHBondContact CA-O 3.44Å; A593-P649 HydrophobicContact CB-CB 4.02Å; A593-P649 HydrophobicContact CB-CG 4.48Å
594	V	97.3	Very high	87.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.3	179.4	-62.1	0	0	0	0	112	I603 I608 M648 P649 V650 I651	V594-I603 HydrophobicContact CG2-CG2 4.35Å; V594-I608 WeakPolarHBondContact CA-O 3.47Å; V594-I608 WeakPolarHBondContact CB-O 3.3Å; V594-M648 HydrophobicContact CG1-SD 3.97Å; V594-M648 HydrophobicContact CG2-CE 3.79Å; V594-M648 HydrophobicContact CG2-CG 4.41Å; V594-M648 HydrophobicContact CG2-SD 4.15Å; V594-P649 PolarHBondContact N-O 3.35Å; V594-V650 HydrophobicContact CG2-CB 4.34Å; V594-V650 HydrophobicContact CG2-CG1 4.27Å; V594-V650 HydrophobicContact CG2-CG2 3.84Å; V594-V650 WeakPolarHBondContact O-CA 3.32Å; V594-I651 PolarHBondContact O-N 2.87Å
595	I	95.9	Very high	87.8	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.036	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.2	168.8	-66.5	174.7	0	0	0	108.5	F597 I608 L610 I651 A657 V660 I661	I595-F597 PolarHBondContact O-N 2.66Å; I595-I608 HydrophobicContact CB-CB 4.1Å; I595-I608 HydrophobicContact CB-CD1 4.36Å; I595-I608 HydrophobicContact CB-CG2 3.84Å; I595-I608 HydrophobicContact CD1-CG2 3.82Å; I595-I608 HydrophobicContact CG1-CG2 4.04Å; I595-I608 HydrophobicContact CG2-CD1 4.4Å; I595-I608 PolarHBondContact N-O 3.41Å; I595-L610 HydrophobicContact CD1-CD1 4.02Å; I595-L610 HydrophobicContact CG1-CD1 3.82Å; I595-I651 HydrophobicContact CG1-CB 4.1Å; I595-I651 HydrophobicContact CG1-CD1 4.22Å; I595-A657 HydrophobicContact CD1-CB 4.34Å; I595-A657 HydrophobicContact CG2-CB 3.64Å; I595-V660 HydrophobicContact CD1-CB 3.9Å; I595-V660 HydrophobicContact CD1-CG1 3.71Å; I595-V660 HydrophobicContact CD1-CG2 4.41Å; I595-I661 HydrophobicContact CG2-CD1 4.33Å
596	D	90.2	Very high	87.7	Confident	38 Å²	38	52 Å²	52	20%	0.203	27%	0.266	C	S	.	.			trans	-78.7	100.6	175.5	-175.1	14.6	0	0	0	110.3	S599 V650 I651	D596-S599 WeakPolarHBondContact OD1-CB 3.4Å; D596-S599 PolarHBondContact OD1-OG 3.05Å; D596-V650 HydrophobicContact CB-CG1 3.79Å; D596-I651 PolarHBondContact N-O 3.24Å
597	F	78.2	Confident	87.6	Confident	76 Å²	76	52.9 Å²	52.9	33%	0.333	27%	0.269	S	S	.	.			trans	-105.1	117.6	179.3	-177.2	-102	0	0	0	111.2	I595 S599 I608 M653 I661	I595-F597 PolarHBondContact O-N 2.66Å; F597-S599 VanDerWaalsContact C-N 3.33Å; F597-S599 PolarHBondContact O-N 3.23Å; F597-I608 HydrophobicContact CB-CD1 3.96Å; F597-I608 HydrophobicContact CG-CD1 4.43Å; F597-M653 HydrophobicContact CD2-CE 4.17Å; F597-M653 HydrophobicContact CD2-SD 4.24Å; F597-M653 HydrophobicContact CE2-CE 4.35Å; F597-I661 HydrophobicContact CD2-CD1 3.76Å; F597-I661 HydrophobicContact CE2-CD1 4.24Å
598	K	62.5	Low	87.6	Confident	177 Å²	177	52 Å²	52	77%	0.77	26%	0.263	S	S	*	.	S	Bend	trans	38.1	53.1	165	-68.2	-172.9	177.2	178.5	0	115.2
599	S	58.9	Low	87.6	Confident	17 Å²	17	51.9 Å²	51.9	12%	0.119	26%	0.262	C	S	.	.			trans	-103.8	9.2	-165.5	61.9	0	0	0	0	116.3	D596 F597 G601 H602	D596-S599 WeakPolarHBondContact OD1-CB 3.4Å; D596-S599 PolarHBondContact OD1-OG 3.05Å; F597-S599 VanDerWaalsContact C-N 3.33Å; F597-S599 PolarHBondContact O-N 3.23Å; S599-G601 PolarHBondContact O-N 2.96Å; S599-H602 WeakPolarHBondContact CB-O 3.48Å; S599-H602 PolarHBondContact O-N 3.4Å; S599-H602 PolarHBondContact OG-N 3.27Å; S599-H602 PolarHBondContact OG-O 3.01Å
600	N	59.3	Low	87.6	Confident	180 Å²	180	51.9 Å²	51.9	96%	0.963	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	31.3	-173.4	-70.5	-13.3	0	0	0	113.1
601	G	65.4	Low	87.7	Confident	73 Å²	73	47.5 Å²	47.5	75%	0.753	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.6	2.5	-178.7	0	0	0	0	0	116.3	S599	S599-G601 PolarHBondContact O-N 2.96Å
602	H	79.8	Confident	87.8	Confident	78 Å²	78	40.9 Å²	40.9	36%	0.361	22%	0.216	S	C	.	.			trans	-102.5	109.1	-178.8	-165.1	50.5	0	0	0	114.3	S599 Y604	S599-H602 WeakPolarHBondContact CB-O 3.48Å; S599-H602 PolarHBondContact O-N 3.4Å; S599-H602 PolarHBondContact OG-N 3.27Å; S599-H602 PolarHBondContact OG-O 3.01Å; H602-Y604 AromaticContact CD2-CD1 3.94Å; H602-Y604 AromaticContact CD2-CE1 3.42Å; H602-Y604 VanDerWaalsContact CD2-CE1 3.42Å; H602-Y604 WeakPolarHBondContact CD2-CE1 3.41Å; H602-Y604 AromaticContact CD2-CZ 3.59Å; H602-Y604 WeakPolarHBondContact O-CD2 3.46Å; H602-Y604 PolarHBondContact O-N 3.48Å
603	I	87.6	Confident	87.8	Confident	52 Å²	52	45 Å²	45	27%	0.267	24%	0.238	S	C	.	.			trans	-80.3	113.2	-179.7	-59.6	170.9	0	0	0	110.4	V594 V628 M648 V650	V594-I603 HydrophobicContact CG2-CG2 4.35Å; I603-V628 HydrophobicContact CD1-CG2 3.7Å; I603-V628 HydrophobicContact CG2-CG2 4.49Å; I603-M648 HydrophobicContact CG2-CE 3.96Å; I603-V650 HydrophobicContact CD1-CG1 4.38Å; I603-V650 HydrophobicContact CD1-CG2 4.33Å; I603-V650 HydrophobicContact CG2-CG1 4.14Å; I603-V650 HydrophobicContact CG2-CG2 3.68Å
604	Y	92.8	Very high	87.7	Confident	77 Å²	77	49 Å²	49	30%	0.302	26%	0.26	S	S	.	.			trans	-87.2	150	173.5	-60.9	-78.2	0	0	0	112.4	H602 R607	H602-Y604 AromaticContact CD2-CD1 3.94Å; H602-Y604 AromaticContact CD2-CE1 3.42Å; H602-Y604 VanDerWaalsContact CD2-CE1 3.42Å; H602-Y604 WeakPolarHBondContact CD2-CE1 3.41Å; H602-Y604 AromaticContact CD2-CZ 3.59Å; H602-Y604 WeakPolarHBondContact O-CD2 3.46Å; H602-Y604 PolarHBondContact O-N 3.48Å; Y604-R607 VanDerWaalsContact CB-CG 3.46Å; Y604-R607 HydrophobicContact CD2-CG 4.01Å; Y604-R607 HydrophobicContact CG-CG 3.77Å
605	D	95.2	Very high	87.6	Confident	33 Å²	33	49.3 Å²	49.3	18%	0.176	26%	0.261	C	S	.	.	S	Bend	trans	-101	2.1	-176.1	83.3	-47	0	0	0	114.6	K592 M648 R868	K592-D605 PolarHBondContact NZ-O 3.28Å; K592-D605 IonicContact NZ-OD2 2.97Å; K592-D605 PolarHBondContact NZ-OD2 3.18Å; D605-M648 HydrophobicContact CB-CE 3.95Å; D605-M648 HydrophobicContact CB-SD 3.61Å; D605-R868 IonicContact OD1-CZ 2.76Å; D605-R868 IonicContact OD1-NE 3.62Å; D605-R868 PolarHBondContact OD1-NE 3.25Å; D605-R868 IonicContact OD1-NH2 3.59Å; D605-R868 PolarHBondContact OD1-NH2 3.43Å; D605-R868 IonicContact OD2-CZ 3.66Å; D605-R868 IonicContact OD2-NE 3.63Å; D605-R868 PolarHBondContact OD2-NE 2.66Å; D605-R868 VanDerWaalsContact OD2-NE 3.09Å; D605-R868 IonicContact OD2-NH2 3.08Å; D605-R868 PolarHBondContact OD2-NH2 2.94Å
606	N	97.3	Very high	87.6	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.285	C	S	.	.	S	Bend	trans	-151.5	21.5	-163.9	62	-9.5	0	0	0	115	R706 Q790 L791 A792 D793	N606-R706 PolarHBondContact ND2-NH2 3.48Å; N606-Q790 WeakPolarHBondContact CB-O 3.42Å; N606-L791 WeakPolarHBondContact O-CA 3.3Å; N606-L791 WeakPolarHBondContact O-CD2 3.27Å; N606-A792 PolarHBondContact ND2-O 3.38Å; N606-D793 PolarHBondContact ND2-OD1 2.91Å
607	R	96.7	Very high	87.9	Confident	19 Å²	19	55.4 Å²	55.4	7%	0.072	29%	0.294	C	S	.	.	S	Bend	trans	-96.3	-55.7	178.7	-57.1	-52.1	-166.8	-116.6	12.9	112.4	Y604 T705 R706 E713 A715 D793	Y604-R607 VanDerWaalsContact CB-CG 3.46Å; Y604-R607 HydrophobicContact CD2-CG 4.01Å; Y604-R607 HydrophobicContact CG-CG 3.77Å; R607-T705 CarbonylContact O-C 3.54Å; R607-T705 VanDerWaalsContact O-CA 3.22Å; R607-T705 WeakPolarHBondContact O-CA 3.5Å; R607-R706 PolarHBondContact O-N 3.49Å; R607-E713 PolarHBondContact NE-O 3.06Å; R607-E713 PolarHBondContact NH2-O 3.23Å; R607-A715 PolarHBondContact NH2-O 2.91Å; R607-D793 IonicContact NH1-OD1 3.53Å; R607-D793 IonicContact NH1-OD2 2.66Å
608	I	98	Very high	88.9	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	108.3	173.8	-58.9	170	0	0	0	106.5	V594 I595 F597 L610 I661 V703 T705	V594-I608 WeakPolarHBondContact CA-O 3.47Å; V594-I608 WeakPolarHBondContact CB-O 3.3Å; I595-I608 HydrophobicContact CB-CB 4.1Å; I595-I608 HydrophobicContact CB-CD1 4.36Å; I595-I608 HydrophobicContact CB-CG2 3.84Å; I595-I608 HydrophobicContact CD1-CG2 3.82Å; I595-I608 HydrophobicContact CG1-CG2 4.04Å; I595-I608 HydrophobicContact CG2-CD1 4.4Å; I595-I608 PolarHBondContact N-O 3.41Å; F597-I608 HydrophobicContact CB-CD1 3.96Å; F597-I608 HydrophobicContact CG-CD1 4.43Å; I608-L610 HydrophobicContact CG2-CD1 4.42Å; I608-I661 HydrophobicContact CD1-CD1 4.04Å; I608-I661 HydrophobicContact CD1-CG1 3.97Å; I608-V703 HydrophobicContact CG2-CG1 4.28Å; I608-T705 HydrophobicContact CB-CG2 4.34Å; I608-T705 HydrophobicContact CG1-CG2 4.05Å; I608-T705 HydrophobicContact CG2-CG2 4.02Å
609	V	98.6	Very high	90.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.2	-170.6	-172.1	0	0	0	0	109.8	K592 A593 V703 T704 L791	K592-V609 HydrophobicContact CB-CG1 3.89Å; K592-V609 HydrophobicContact CD-CG1 4.17Å; A593-V609 WeakPolarHBondContact O-CA 3.26Å; V609-V703 WeakPolarHBondContact O-CA 3.25Å; V609-T704 PolarHBondContact N-O 3.2Å; V609-T704 PolarHBondContact O-N 2.87Å; V609-L791 HydrophobicContact CG2-CD2 4.08Å
610	L	98.7	Very high	92.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.8	175.6	-67	85.3	0	0	0	109.9	K592 A593 I595 I608 L615 F618 I651 I701 I702 V703	K592-L610 WeakPolarHBondContact CA-O 3.47Å; A593-L610 HydrophobicContact CB-CB 4.44Å; A593-L610 PolarHBondContact N-O 3.08Å; A593-L610 PolarHBondContact O-N 3.39Å; I595-L610 HydrophobicContact CD1-CD1 4.02Å; I595-L610 HydrophobicContact CG1-CD1 3.82Å; I608-L610 HydrophobicContact CG2-CD1 4.42Å; L610-L615 HydrophobicContact CB-CD1 3.97Å; L610-L615 WeakPolarHBondContact O-CD2 3.4Å; L610-F618 HydrophobicContact CD2-CE1 3.97Å; L610-I651 HydrophobicContact CD1-CD1 4.46Å; L610-I651 HydrophobicContact CD2-CD1 4.12Å; L610-I701 HydrophobicContact CB-CG2 4.25Å; L610-I701 HydrophobicContact CD2-CG2 4.16Å; L610-I702 WeakPolarHBondContact CA-O 3.37Å; L610-V703 HydrophobicContact CD2-CG2 4.36Å; L610-V703 HydrophobicContact CG-CG2 4.22Å
611	N	98.8	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.7	175.8	-56.2	94.9	0	0	0	109.9	L589 K591 K592 I701 I702 Q790	L589-N611 HydrophobicContact CD2-CB 3.8Å; K591-N611 PolarHBondContact O-ND2 3.44Å; K592-N611 WeakPolarHBondContact CB-ND2 3.47Å; N611-I701 CarbonylContact O-C 3.58Å; N611-I701 WeakPolarHBondContact O-CA 3.49Å; N611-I702 PolarHBondContact N-O 2.93Å; N611-I702 PolarHBondContact O-N 3.46Å; N611-Q790 PolarHBondContact ND2-NE2 3.13Å; N611-Q790 VanDerWaalsContact ND2-NE2 3.18Å; N611-Q790 PolarHBondContact OD1-OE1 3.14Å
612	G	97.4	Very high	95.5	Very high	7 Å²	7	39.2 Å²	39.2	7%	0.072	20%	0.204	C	C	.	.			trans	170.7	154.9	178.6	0	0	0	0	0	111	D614 L615	G612-D614 VanDerWaalsContact C-N 3.34Å; G612-L615 VanDerWaalsContact O-CB 3.25Å; G612-L615 WeakPolarHBondContact O-CB 3.45Å; G612-L615 PolarHBondContact O-N 3.18Å
613	I	97.1	Very high	96.1	Very high	95 Å²	95	39 Å²	39	49%	0.487	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-44.7	174.3	-61.3	-58.1	0	0	0	110.1	P587 H588 L615 V697	P587-I613 HydrophobicContact CB-CD1 4.45Å; P587-I613 HydrophobicContact CG-CD1 4.22Å; H588-I613 HydrophobicContact CB-CD1 4.09Å; H588-I613 HydrophobicContact CB-CG1 4.4Å; I613-L615 VanDerWaalsContact C-N 3.25Å; I613-L615 PolarHBondContact O-N 2.98Å; I613-V697 HydrophobicContact CD1-CG1 3.94Å; I613-V697 HydrophobicContact CG1-CG1 3.88Å
614	D	95.9	Very high	96.2	Very high	86 Å²	86	42.8 Å²	42.8	46%	0.46	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	13.5	-179.7	-57	-47.9	0	0	0	113.7	G612 K616 A617 F618 F676	G612-D614 VanDerWaalsContact C-N 3.34Å; D614-K616 PolarHBondContact O-N 2.89Å; D614-A617 PolarHBondContact O-N 3.49Å; D614-A617 VanDerWaalsContact O-N 3.11Å; D614-F618 PolarHBondContact O-N 3.16Å; D614-F676 HydrophobicContact CB-CD1 4.45Å; D614-F676 HydrophobicContact CB-CE1 4.32Å
615	L	96.5	Very high	96.2	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-56.7	-39	-176.6	179.4	64	0	0	0	112	A593 L610 G612 I613 F618 L619 I701	A593-L615 HydrophobicContact CB-CD1 4.2Å; A593-L615 HydrophobicContact CB-CD2 4.09Å; A593-L615 HydrophobicContact CB-CG 4.48Å; L610-L615 HydrophobicContact CB-CD1 3.97Å; L610-L615 WeakPolarHBondContact O-CD2 3.4Å; G612-L615 VanDerWaalsContact O-CB 3.25Å; G612-L615 WeakPolarHBondContact O-CB 3.45Å; G612-L615 PolarHBondContact O-N 3.18Å; I613-L615 VanDerWaalsContact C-N 3.25Å; I613-L615 PolarHBondContact O-N 2.98Å; L615-F618 HydrophobicContact CD1-CD1 4.29Å; L615-F618 PolarHBondContact O-N 3.42Å; L615-L619 HydrophobicContact CD1-CD1 4.26Å; L615-L619 HydrophobicContact CD1-CG 4.25Å; L615-L619 HydrophobicContact CG-CD1 3.93Å; L615-L619 HydrophobicContact CG-CG 4.38Å; L615-L619 WeakPolarHBondContact O-CD1 3.38Å; L615-L619 WeakPolarHBondContact O-CG 3.47Å; L615-L619 PolarHBondContact O-N 3.38Å; L615-I701 HydrophobicContact CD1-CG2 4.17Å
616	K	95.7	Very high	96.1	Very high	125 Å²	125	45.2 Å²	45.2	54%	0.543	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-47.8	177.8	175.8	165.8	172.3	41.3	0	111.8	D614 F618 L619 D620	D614-K616 PolarHBondContact O-N 2.89Å; K616-F618 VanDerWaalsContact C-N 3.28Å; K616-F618 PolarHBondContact O-N 2.85Å; K616-L619 PolarHBondContact O-N 3.25Å; K616-D620 WeakPolarHBondContact CG-OD2 3.3Å; K616-D620 IonicContact NZ-OD1 3.39Å; K616-D620 PolarHBondContact NZ-OD1 3.45Å; K616-D620 VanDerWaalsContact NZ-OD1 3.08Å; K616-D620 IonicContact NZ-OD2 2.83Å; K616-D620 PolarHBondContact NZ-OD2 3.48Å; K616-D620 PolarHBondContact O-N 3.01Å
617	A	96.8	Very high	95.8	Very high	48 Å²	48	50 Å²	50	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-38	179.8	0	0	0	0	0	111.4	D614 S621 F676	D614-A617 PolarHBondContact O-N 3.49Å; D614-A617 VanDerWaalsContact O-N 3.11Å; A617-S621 PolarHBondContact O-N 2.9Å; A617-F676 VanDerWaalsContact C-CZ 3.49Å; A617-F676 HydrophobicContact CB-CE1 3.86Å; A617-F676 HydrophobicContact CB-CZ 3.87Å
618	F	97.8	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-50.7	172.6	170.4	-114	0	0	0	111.9	L610 D614 L615 K616 D620 S621 L622 I651 I656 I673 F676 I678 I701	L610-F618 HydrophobicContact CD2-CE1 3.97Å; D614-F618 PolarHBondContact O-N 3.16Å; L615-F618 HydrophobicContact CD1-CD1 4.29Å; L615-F618 PolarHBondContact O-N 3.42Å; K616-F618 VanDerWaalsContact C-N 3.28Å; K616-F618 PolarHBondContact O-N 2.85Å; F618-D620 VanDerWaalsContact C-N 3.33Å; F618-D620 PolarHBondContact O-N 3.27Å; F618-S621 WeakPolarHBondContact O-CB 3.46Å; F618-S621 PolarHBondContact O-N 3.17Å; F618-S621 PolarHBondContact O-OG 3.37Å; F618-L622 HydrophobicContact CD1-CD1 4.42Å; F618-L622 HydrophobicContact CE1-CD1 3.86Å; F618-L622 HydrophobicContact CE2-CD1 4.4Å; F618-L622 HydrophobicContact CE2-CD2 3.94Å; F618-L622 HydrophobicContact CE2-CG 4.45Å; F618-L622 HydrophobicContact CZ-CD1 3.86Å; F618-L622 HydrophobicContact CZ-CD2 4.12Å; F618-L622 HydrophobicContact CZ-CG 4.38Å; F618-L622 WeakPolarHBondContact O-CG 3.11Å; F618-I651 HydrophobicContact CE1-CD1 4.11Å; F618-I656 HydrophobicContact CZ-CG2 4.48Å; F618-I673 HydrophobicContact CE2-CB 4.03Å; F618-I673 HydrophobicContact CE2-CG2 3.95Å; F618-F676 HydrophobicContact CB-CD1 3.94Å; F618-F676 HydrophobicContact CB-CD2 4.18Å; F618-F676 HydrophobicContact CB-CE1 4.16Å; F618-F676 HydrophobicContact CB-CE2 4.39Å; F618-F676 HydrophobicContact CB-CG 3.95Å; F618-F676 HydrophobicContact CB-CZ 4.38Å; F618-F676 HydrophobicContact CD2-CB 3.9Å; F618-F676 AromaticContact CD2-CD2 3.8Å; F618-F676 HydrophobicContact CD2-CD2 3.8Å; F618-F676 AromaticContact CD2-CG 3.88Å; F618-F676 HydrophobicContact CD2-CG 3.88Å; F618-F676 HydrophobicContact CG-CG 4.37Å; F618-I678 HydrophobicContact CD2-CD1 4.14Å; F618-I678 HydrophobicContact CE1-CD1 4.31Å; F618-I678 HydrophobicContact CE2-CD1 3.88Å; F618-I678 HydrophobicContact CG-CD1 4.47Å; F618-I678 HydrophobicContact CZ-CD1 3.96Å; F618-I701 HydrophobicContact CB-CD1 3.21Å; F618-I701 HydrophobicContact CD1-CD1 3.73Å; F618-I701 HydrophobicContact CD2-CD1 4.24Å; F618-I701 HydrophobicContact CG-CD1 3.47Å; F618-I701 VanDerWaalsContact CG-CD1 3.47Å
619	L	96.6	Very high	94.8	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-61.1	-39.7	179.3	-68.3	165.2	0	0	0	112.5	A593 L615 K616 S621 L622 V625 P649 I651	A593-L619 HydrophobicContact CB-CD1 4.02Å; A593-L619 HydrophobicContact CB-CD2 3.97Å; L615-L619 HydrophobicContact CD1-CD1 4.26Å; L615-L619 HydrophobicContact CD1-CG 4.25Å; L615-L619 HydrophobicContact CG-CD1 3.93Å; L615-L619 HydrophobicContact CG-CG 4.38Å; L615-L619 WeakPolarHBondContact O-CD1 3.38Å; L615-L619 WeakPolarHBondContact O-CG 3.47Å; L615-L619 PolarHBondContact O-N 3.38Å; K616-L619 PolarHBondContact O-N 3.25Å; L619-S621 PolarHBondContact O-N 3.29Å; L619-L622 HydrophobicContact CD2-CD1 4.43Å; L619-L622 WeakPolarHBondContact O-CB 3.24Å; L619-L622 PolarHBondContact O-N 3.49Å; L619-V625 HydrophobicContact CD2-CG1 4.26Å; L619-V625 HydrophobicContact CD2-CG2 4.49Å; L619-P649 HydrophobicContact CD1-CB 3.58Å; L619-P649 HydrophobicContact CD1-CG 3.61Å; L619-P649 HydrophobicContact CD2-CB 4.12Å; L619-P649 HydrophobicContact CG-CB 4.44Å; L619-I651 HydrophobicContact CD2-CD1 3.96Å; L619-I651 HydrophobicContact CD2-CG1 3.84Å
620	D	96.1	Very high	94	Very high	111 Å²	111	60 Å²	60	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-65.6	-19.2	177.1	-65.4	-19.9	0	0	0	111.8	K616 F618	K616-D620 WeakPolarHBondContact CG-OD2 3.3Å; K616-D620 IonicContact NZ-OD1 3.39Å; K616-D620 PolarHBondContact NZ-OD1 3.45Å; K616-D620 VanDerWaalsContact NZ-OD1 3.08Å; K616-D620 IonicContact NZ-OD2 2.83Å; K616-D620 PolarHBondContact NZ-OD2 3.48Å; K616-D620 PolarHBondContact O-N 3.01Å; F618-D620 VanDerWaalsContact C-N 3.33Å; F618-D620 PolarHBondContact O-N 3.27Å
621	S	96.5	Very high	92.8	Very high	43 Å²	43	65.2 Å²	65.2	30%	0.301	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.2	173.5	84.9	0	0	0	0	114.2	A617 F618 L619 N674	A617-S621 PolarHBondContact O-N 2.9Å; F618-S621 WeakPolarHBondContact O-CB 3.46Å; F618-S621 PolarHBondContact O-N 3.17Å; F618-S621 PolarHBondContact O-OG 3.37Å; L619-S621 PolarHBondContact O-N 3.29Å; S621-N674 PolarHBondContact O-ND2 2.54Å; S621-N674 PolarHBondContact OG-ND2 3.33Å
622	L	95.8	Very high	91.2	Very high	15 Å²	15	67 Å²	67	8%	0.079	35%	0.35	C	S	.	.	S	Bend	trans	-97	141.7	-176.3	-56	-174.7	0	0	0	111.3	F618 L619 V625 I651 I656	F618-L622 HydrophobicContact CD1-CD1 4.42Å; F618-L622 HydrophobicContact CE1-CD1 3.86Å; F618-L622 HydrophobicContact CE2-CD1 4.4Å; F618-L622 HydrophobicContact CE2-CD2 3.94Å; F618-L622 HydrophobicContact CE2-CG 4.45Å; F618-L622 HydrophobicContact CZ-CD1 3.86Å; F618-L622 HydrophobicContact CZ-CD2 4.12Å; F618-L622 HydrophobicContact CZ-CG 4.38Å; F618-L622 WeakPolarHBondContact O-CG 3.11Å; L619-L622 HydrophobicContact CD2-CD1 4.43Å; L619-L622 WeakPolarHBondContact O-CB 3.24Å; L619-L622 PolarHBondContact O-N 3.49Å; L622-V625 HydrophobicContact CB-CG2 3.67Å; L622-V625 HydrophobicContact CD1-CG2 4.35Å; L622-I651 HydrophobicContact CD1-CD1 3.77Å; L622-I651 HydrophobicContact CD1-CG1 3.96Å; L622-I651 HydrophobicContact CD1-CG2 4.21Å; L622-I656 HydrophobicContact CD1-CG2 4.43Å; L622-I656 HydrophobicContact CD2-CD1 3.49Å; L622-I656 VanDerWaalsContact CD2-CD1 3.49Å; L622-I656 HydrophobicContact CD2-CG2 3.95Å
623	P	91.8	Very high	89.2	Confident	73 Å²	73	67.7 Å²	67.7	47%	0.474	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	151.9	168.5	31.4	-34.1	0	0	0	111.1	V625	P623-V625 VanDerWaalsContact C-N 3.3Å; P623-V625 PolarHBondContact O-N 3.04Å; P623-V625 VanDerWaalsContact O-N 3.15Å
624	D	90.6	Very high	86.9	Confident	131 Å²	131	69.3 Å²	69.3	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	25.8	164.4	-53	-47.8	0	0	0	117	K626 P652	D624-K626 PolarHBondContact O-N 3.11Å; D624-P652 HydrophobicContact CB-CG 4.17Å; D624-P652 WeakPolarHBondContact O-CD 3.48Å; D624-P652 WeakPolarHBondContact O-CG 3.44Å
625	V	93.6	Very high	84.4	Confident	36 Å²	36	68.5 Å²	68.5	22%	0.218	38%	0.375	C	S	.	.			trans	-65.1	120.5	173.6	-178.5	0	0	0	0	110.2	L619 L622 P623 I627 P649	L619-V625 HydrophobicContact CD2-CG1 4.26Å; L619-V625 HydrophobicContact CD2-CG2 4.49Å; L622-V625 HydrophobicContact CB-CG2 3.67Å; L622-V625 HydrophobicContact CD1-CG2 4.35Å; P623-V625 VanDerWaalsContact C-N 3.3Å; P623-V625 PolarHBondContact O-N 3.04Å; P623-V625 VanDerWaalsContact O-N 3.15Å; V625-I627 HydrophobicContact CG1-CD1 4.24Å; V625-P649 HydrophobicContact CG1-CB 3.91Å
626	K	92.4	Very high	81.6	Confident	125 Å²	125	71.3 Å²	71.3	54%	0.543	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.2	176.3	-67	178.7	-176.8	173.3	0	110.3	D624 P649 V650	D624-K626 PolarHBondContact O-N 3.11Å; K626-P649 CarbonylContact O-C 3.6Å; K626-P649 WeakPolarHBondContact O-CA 3.44Å; K626-V650 HydrophobicContact CB-CB 4.29Å; K626-V650 PolarHBondContact N-O 3.18Å; K626-V650 PolarHBondContact O-N 3.45Å
627	I	91.3	Very high	78.6	Confident	102 Å²	102	73.5 Å²	73.5	52%	0.523	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.5	177	-57.7	-51.8	0	0	0	109.5	V625 N647 P649	V625-I627 HydrophobicContact CG1-CD1 4.24Å; I627-N647 HydrophobicContact CG2-CB 3.56Å; I627-P649 HydrophobicContact CD1-CB 4.01Å; I627-P649 HydrophobicContact CD1-CG 4.13Å
628	V	88.3	Confident	75.6	Confident	36 Å²	36	78.8 Å²	78.8	22%	0.218	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.5	176.9	179	0	0	0	0	109.7	I603 N647 M648 V650	I603-V628 HydrophobicContact CD1-CG2 3.7Å; I603-V628 HydrophobicContact CG2-CG2 4.49Å; V628-N647 CarbonylContact O-C 3.52Å; V628-N647 WeakPolarHBondContact O-CA 3.49Å; V628-M648 PolarHBondContact N-O 3.44Å; V628-M648 PolarHBondContact O-N 3.03Å; V628-V650 HydrophobicContact CB-CG2 4.4Å; V628-V650 HydrophobicContact CG2-CG2 3.62Å
629	K	85.8	Confident	72.6	Confident	169 Å²	169	83.3 Å²	83.3	74%	0.735	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.6	172.4	-69.7	-175.7	179.3	-179.7	0	109.9
630	M	80.6	Confident	69.6	Low	35 Å²	35	90.4 Å²	90.4	17%	0.172	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-80.4	132.3	176.4	-62.4	-176.9	75.3	0	0	110.3	C632 L646 M648 W872	M630-C632 PolarHBondContact O-N 3.06Å; M630-L646 HydrophobicContact CB-CB 4.11Å; M630-L646 PolarHBondContact N-O 3.46Å; M630-L646 HydrophobicContact SD-CB 4.33Å; M630-L646 HydrophobicContact SD-CD2 4.38Å; M630-M648 HydrophobicContact CG-CB 4.29Å; M630-M648 HydrophobicContact SD-CB 4.48Å; M630-W872 HydrophobicContact CE-CB 4.08Å; M630-W872 HydrophobicContact CE-CD2 4.44Å; M630-W872 HydrophobicContact CE-CG 3.8Å; M630-W872 HydrophobicContact SD-CG 4.37Å
631	K	73.3	Confident	66.7	Low	110 Å²	110	89.4 Å²	89.4	48%	0.478	52%	0.523	S	S	.	.			trans	-78.2	112.9	179	-157.2	-178.8	-167.6	-178.6	0	108.7	E862	K631-E862 IonicContact NZ-OE2 3.04Å; K631-E862 PolarHBondContact NZ-OE2 3.23Å
632	C	65.1	Low	63.8	Low	37 Å²	37	93 Å²	93	25%	0.25	55%	0.548	C	S	.	.			trans	-114	136	174.4	-62.3	0	0	0	0	109.5	M630 K873	M630-C632 PolarHBondContact O-N 3.06Å; C632-K873 HydrophobicContact CB-CD 4.23Å
633	P	55.5	Low	60.9	Low	23 Å²	23	100.2 Å²	100.2	15%	0.149	59%	0.586	C	S	.	*	S	Bend	trans	-63.5	144.6	162.7	17.4	-15.1	0	0	0	109.6	K866 K870	P633-K866 VanDerWaalsContact CB-CE 3.49Å; P633-K866 HydrophobicContact CG-CG 4.09Å; P633-K870 HydrophobicContact CG-CB 3.82Å; P633-K870 HydrophobicContact CG-CD 3.79Å; P633-K870 HydrophobicContact CG-CG 3.87Å
634	D	49.8	Very low	58.7	Low	129 Å²	129	102.1 Å²	102.1	69%	0.69	60%	0.597	S	S	*	*			trans	86.1	44.8	172.5	-41.1	-32.9	0	0	0	116.5
635	G	43.1	Very low	57	Low	68 Å²	68	98.9 Å²	98.9	70%	0.701	59%	0.589	S	S	*	*			trans	-107.9	99.8	143.7	0	0	0	0	0	107.9
636	G	37.3	Very low	56.1	Low	68 Å²	68	99.7 Å²	99.7	70%	0.701	59%	0.591	S	S	*	*			trans	-59.7	148.4	156.4	0	0	0	0	0	108.5	N638	G636-N638 PolarHBondContact O-N 3.23Å
637	D	33.2	Very low	55.9	Low	170 Å²	170	97.9 Å²	97.9	91%	0.909	59%	0.588	S	S	*	*	S	Bend	trans	-65	43.6	179.5	-73.4	-44.2	0	0	0	113.7	A639	D637-A639 PolarHBondContact O-N 3.45Å
638	N	32.5	Very low	56	Low	160 Å²	160	93.5 Å²	93.5	86%	0.856	57%	0.565	S	S	*	*			trans	-90.9	92.9	162.5	-81.5	-5.3	0	0	0	108	G636 D640	G636-N638 PolarHBondContact O-N 3.23Å; N638-D640 VanDerWaalsContact C-N 3.27Å; N638-D640 PolarHBondContact O-N 3.35Å
639	A	36	Very low	56.3	Low	94 Å²	94	92.6 Å²	92.6	78%	0.777	56%	0.56	S	S	*	*			trans	-61.6	85.8	165.6	0	0	0	0	0	109.8	D637	D637-A639 PolarHBondContact O-N 3.45Å
640	D	34	Very low	56.8	Low	163 Å²	163	84.6 Å²	84.6	87%	0.872	53%	0.525	S	S	*	.			trans	-171.1	82.9	153	-101.1	-18.8	0	0	0	111.6	N638	N638-D640 VanDerWaalsContact C-N 3.27Å; N638-D640 PolarHBondContact O-N 3.35Å
641	S	33.4	Very low	57.6	Low	91 Å²	91	83.1 Å²	83.1	64%	0.636	52%	0.518	S	S	*	.			trans	-166.2	95.7	145.6	69.9	0	0	0	0	109.6	N643 T644	S641-N643 PolarHBondContact O-N 3.49Å; S641-T644 PolarHBondContact OG-OG1 2.89Å; S641-T644 VanDerWaalsContact OG-OG1 3.12Å
642	S	35.8	Very low	58.5	Low	117 Å²	117	79.1 Å²	79.1	82%	0.818	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	88.2	172	53.6	0	0	0	0	110.9
643	N	35.7	Very low	59.8	Low	167 Å²	167	81.1 Å²	81.1	89%	0.893	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.7	3.7	148.8	-97.6	-21.8	0	0	0	116.4	S641	S641-N643 PolarHBondContact O-N 3.49Å
644	T	45.2	Very low	61.5	Low	114 Å²	114	81.6 Å²	81.6	70%	0.699	51%	0.511	S	S	*	.			trans	-102.8	13.4	-168.1	31.3	0	0	0	0	116	S641 L646	S641-T644 PolarHBondContact OG-OG1 2.89Å; S641-T644 VanDerWaalsContact OG-OG1 3.12Å; T644-L646 PolarHBondContact O-N 3.22Å
645	A	55.2	Low	63.6	Low	63 Å²	63	80.8 Å²	80.8	52%	0.521	51%	0.511	S	S	.	.			trans	-75.7	108	178.1	0	0	0	0	0	111.4	N647	A645-N647 PolarHBondContact O-N 3.19Å
646	L	74.3	Confident	66	Low	53 Å²	53	78.8 Å²	78.8	28%	0.277	48%	0.484	S	S	.	.			trans	-59.2	125.5	169.3	-95.8	157.7	0	0	0	110.1	M630 T644 W872 K873	M630-L646 HydrophobicContact CB-CB 4.11Å; M630-L646 PolarHBondContact N-O 3.46Å; M630-L646 HydrophobicContact SD-CB 4.33Å; M630-L646 HydrophobicContact SD-CD2 4.38Å; T644-L646 PolarHBondContact O-N 3.22Å; L646-W872 VanDerWaalsContact CD2-CD1 3.49Å; L646-K873 HydrophobicContact CD1-CB 3.43Å; L646-K873 VanDerWaalsContact CD1-CB 3.43Å; L646-K873 HydrophobicContact CD1-CD 4.22Å; L646-K873 HydrophobicContact CD1-CG 3.67Å
647	N	88.3	Confident	68.8	Low	87 Å²	87	75.5 Å²	75.5	47%	0.465	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.8	-176.7	61.8	43.1	0	0	0	111.6	I627 V628 A645	I627-N647 HydrophobicContact CG2-CB 3.56Å; V628-N647 CarbonylContact O-C 3.52Å; V628-N647 WeakPolarHBondContact O-CA 3.49Å; A645-N647 PolarHBondContact O-N 3.19Å
648	M	93.1	Very high	71.7	Confident	10 Å²	10	72.3 Å²	72.3	5%	0.049	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	110.6	176.8	-173.9	176.8	72.7	0	0	108.4	V594 I603 D605 V628 M630 V650	V594-M648 HydrophobicContact CG1-SD 3.97Å; V594-M648 HydrophobicContact CG2-CE 3.79Å; V594-M648 HydrophobicContact CG2-CG 4.41Å; V594-M648 HydrophobicContact CG2-SD 4.15Å; I603-M648 HydrophobicContact CG2-CE 3.96Å; D605-M648 HydrophobicContact CB-CE 3.95Å; D605-M648 HydrophobicContact CB-SD 3.61Å; V628-M648 PolarHBondContact N-O 3.44Å; V628-M648 PolarHBondContact O-N 3.03Å; M630-M648 HydrophobicContact CG-CB 4.29Å; M630-M648 HydrophobicContact SD-CB 4.48Å; M648-V650 HydrophobicContact CE-CG2 4.36Å
649	P	95.8	Very high	74.8	Confident	16 Å²	16	66.7 Å²	66.7	10%	0.104	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.7	172.2	-20.8	33.8	0	0	0	111.5	K592 A593 V594 L619 V625 K626 I627	K592-P649 WeakPolarHBondContact O-CD 3.36Å; A593-P649 WeakPolarHBondContact CA-O 3.44Å; A593-P649 HydrophobicContact CB-CB 4.02Å; A593-P649 HydrophobicContact CB-CG 4.48Å; V594-P649 PolarHBondContact N-O 3.35Å; L619-P649 HydrophobicContact CD1-CB 3.58Å; L619-P649 HydrophobicContact CD1-CG 3.61Å; L619-P649 HydrophobicContact CD2-CB 4.12Å; L619-P649 HydrophobicContact CG-CB 4.44Å; V625-P649 HydrophobicContact CG1-CB 3.91Å; K626-P649 CarbonylContact O-C 3.6Å; K626-P649 WeakPolarHBondContact O-CA 3.44Å; I627-P649 HydrophobicContact CD1-CB 4.01Å; I627-P649 HydrophobicContact CD1-CG 4.13Å
650	V	96.2	Very high	77.7	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.012	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.5	-178.3	-176.7	0	0	0	0	108.3	V594 D596 I603 K626 V628 M648	V594-V650 HydrophobicContact CG2-CB 4.34Å; V594-V650 HydrophobicContact CG2-CG1 4.27Å; V594-V650 HydrophobicContact CG2-CG2 3.84Å; V594-V650 WeakPolarHBondContact O-CA 3.32Å; D596-V650 HydrophobicContact CB-CG1 3.79Å; I603-V650 HydrophobicContact CD1-CG1 4.38Å; I603-V650 HydrophobicContact CD1-CG2 4.33Å; I603-V650 HydrophobicContact CG2-CG1 4.14Å; I603-V650 HydrophobicContact CG2-CG2 3.68Å; K626-V650 HydrophobicContact CB-CB 4.29Å; K626-V650 PolarHBondContact N-O 3.18Å; K626-V650 PolarHBondContact O-N 3.45Å; V628-V650 HydrophobicContact CB-CG2 4.4Å; V628-V650 HydrophobicContact CG2-CG2 3.62Å; M648-V650 HydrophobicContact CE-CG2 4.36Å
651	I	95.9	Very high	80.7	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119	174	-55.9	173.3	0	0	0	106.9	V594 I595 D596 L610 F618 L619 L622 A657	V594-I651 PolarHBondContact O-N 2.87Å; I595-I651 HydrophobicContact CG1-CB 4.1Å; I595-I651 HydrophobicContact CG1-CD1 4.22Å; D596-I651 PolarHBondContact N-O 3.24Å; L610-I651 HydrophobicContact CD1-CD1 4.46Å; L610-I651 HydrophobicContact CD2-CD1 4.12Å; F618-I651 HydrophobicContact CE1-CD1 4.11Å; L619-I651 HydrophobicContact CD2-CD1 3.96Å; L619-I651 HydrophobicContact CD2-CG1 3.84Å; L622-I651 HydrophobicContact CD1-CD1 3.77Å; L622-I651 HydrophobicContact CD1-CG1 3.96Å; L622-I651 HydrophobicContact CD1-CG2 4.21Å; I651-A657 HydrophobicContact CG2-CB 4.38Å
652	P	93.3	Very high	83.7	Confident	27 Å²	27	54.9 Å²	54.9	18%	0.175	32%	0.32	C	S	.	.			trans	-68.4	160.4	177.4	31.1	-35.7	0	0	0	110.7	D624 N654	D624-P652 HydrophobicContact CB-CG 4.17Å; D624-P652 WeakPolarHBondContact O-CD 3.48Å; D624-P652 WeakPolarHBondContact O-CG 3.44Å; P652-N654 PolarHBondContact O-N 3.14Å; P652-N654 PolarHBondContact O-OD1 3.02Å
653	M	92.3	Very high	86.7	Confident	78 Å²	78	49.3 Å²	49.3	38%	0.384	28%	0.281	S	S	.	.	S	Bend	trans	-68.6	91.8	175.9	-163.8	64.6	-177.6	0	0	111	F597 A657 E658 I661	F597-M653 HydrophobicContact CD2-CE 4.17Å; F597-M653 HydrophobicContact CD2-SD 4.24Å; F597-M653 HydrophobicContact CE2-CE 4.35Å; M653-A657 HydrophobicContact SD-CB 4.02Å; M653-E658 HydrophobicContact CE-CG 3.53Å; M653-I661 HydrophobicContact CE-CD1 3.76Å; M653-I661 HydrophobicContact SD-CD1 3.92Å
654	N	91.8	Very high	89.6	Confident	34 Å²	34	42 Å²	42	18%	0.182	24%	0.242	C	C	.	.	S	Bend	trans	-126.4	-176.6	175.2	64.3	15.4	0	0	0	110.1	P652 I656 A657 E658	P652-N654 PolarHBondContact O-N 3.14Å; P652-N654 PolarHBondContact O-OD1 3.02Å; N654-I656 PolarHBondContact O-N 3.5Å; N654-I656 VanDerWaalsContact O-N 3.15Å; N654-I656 WeakPolarHBondContact OD1-CB 3.49Å; N654-I656 PolarHBondContact OD1-N 3.48Å; N654-I656 VanDerWaalsContact OD1-N 3.1Å; N654-A657 WeakPolarHBondContact O-CB 3.48Å; N654-A657 PolarHBondContact O-N 2.96Å; N654-A657 VanDerWaalsContact O-N 3.1Å; N654-A657 PolarHBondContact OD1-N 3.47Å; N654-E658 WeakPolarHBondContact O-CG 3.42Å; N654-E658 PolarHBondContact O-N 3.05Å
655	T	93.3	Very high	92.1	Very high	111 Å²	111	41.6 Å²	41.6	68%	0.681	24%	0.235	S	C	*	.	H	α-helix	trans	-58.5	-29	-179.5	50.3	0	0	0	0	113.6	A659	T655-A659 WeakPolarHBondContact O-CB 3.33Å; T655-A659 PolarHBondContact O-N 3.23Å
656	I	93.8	Very high	94.1	Very high	26 Å²	26	46.7 Å²	46.7	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-71.6	-46.1	176.7	-68.7	176	0	0	0	110.4	F618 L622 N654 E658 A659 V660 I673	F618-I656 HydrophobicContact CZ-CG2 4.48Å; L622-I656 HydrophobicContact CD1-CG2 4.43Å; L622-I656 HydrophobicContact CD2-CD1 3.49Å; L622-I656 VanDerWaalsContact CD2-CD1 3.49Å; L622-I656 HydrophobicContact CD2-CG2 3.95Å; N654-I656 PolarHBondContact O-N 3.5Å; N654-I656 VanDerWaalsContact O-N 3.15Å; N654-I656 WeakPolarHBondContact OD1-CB 3.49Å; N654-I656 PolarHBondContact OD1-N 3.48Å; N654-I656 VanDerWaalsContact OD1-N 3.1Å; I656-E658 VanDerWaalsContact C-N 3.32Å; I656-E658 PolarHBondContact O-N 3.43Å; I656-A659 PolarHBondContact O-N 3.45Å; I656-V660 WeakPolarHBondContact O-CG2 3.5Å; I656-V660 PolarHBondContact O-N 3.13Å; I656-V660 VanDerWaalsContact O-N 3.15Å; I656-I673 HydrophobicContact CD1-CG2 4.23Å; I656-I673 HydrophobicContact CG1-CG2 4.21Å; I656-I673 HydrophobicContact CG2-CD1 3.93Å; I656-I673 HydrophobicContact CG2-CG2 3.97Å
657	A	94.9	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-42.5	173.9	0	0	0	0	0	111.9	I595 I651 M653 N654 V660 I661	I595-A657 HydrophobicContact CD1-CB 4.34Å; I595-A657 HydrophobicContact CG2-CB 3.64Å; I651-A657 HydrophobicContact CG2-CB 4.38Å; M653-A657 HydrophobicContact SD-CB 4.02Å; N654-A657 WeakPolarHBondContact O-CB 3.48Å; N654-A657 PolarHBondContact O-N 2.96Å; N654-A657 VanDerWaalsContact O-N 3.1Å; N654-A657 PolarHBondContact OD1-N 3.47Å; A657-V660 PolarHBondContact O-N 3.4Å; A657-I661 WeakPolarHBondContact O-CG1 3.29Å; A657-I661 PolarHBondContact O-N 3.37Å
658	E	95.3	Very high	95.6	Very high	103 Å²	103	46.6 Å²	46.6	48%	0.481	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-44.3	175.8	-72.8	172.3	-179.5	0	0	112.3	M653 N654 I656 V660 I661 E662	M653-E658 HydrophobicContact CE-CG 3.53Å; N654-E658 WeakPolarHBondContact O-CG 3.42Å; N654-E658 PolarHBondContact O-N 3.05Å; I656-E658 VanDerWaalsContact C-N 3.32Å; I656-E658 PolarHBondContact O-N 3.43Å; E658-V660 VanDerWaalsContact C-N 3.32Å; E658-V660 PolarHBondContact O-N 2.58Å; E658-I661 PolarHBondContact O-N 3.35Å; E658-E662 WeakPolarHBondContact O-CB 3.44Å; E658-E662 PolarHBondContact O-N 3.18Å
659	A	96.9	Very high	95.8	Very high	42 Å²	42	49.5 Å²	49.5	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-40.4	177.5	0	0	0	0	0	112.3	T655 I656 E662 M663 I671	T655-A659 WeakPolarHBondContact O-CB 3.33Å; T655-A659 PolarHBondContact O-N 3.23Å; I656-A659 PolarHBondContact O-N 3.45Å; A659-E662 PolarHBondContact O-N 2.77Å; A659-M663 PolarHBondContact O-N 3.47Å; A659-I671 HydrophobicContact CB-CD1 4.33Å
660	V	97.3	Very high	95.9	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-45.7	174.8	172	0	0	0	0	111	I595 I656 A657 E658 E662 M663 I664 I671 I673 I678 V703	I595-V660 HydrophobicContact CD1-CB 3.9Å; I595-V660 HydrophobicContact CD1-CG1 3.71Å; I595-V660 HydrophobicContact CD1-CG2 4.41Å; I656-V660 WeakPolarHBondContact O-CG2 3.5Å; I656-V660 PolarHBondContact O-N 3.13Å; I656-V660 VanDerWaalsContact O-N 3.15Å; A657-V660 PolarHBondContact O-N 3.4Å; E658-V660 VanDerWaalsContact C-N 3.32Å; E658-V660 PolarHBondContact O-N 2.58Å; V660-E662 VanDerWaalsContact C-N 3.33Å; V660-E662 PolarHBondContact O-N 3.24Å; V660-M663 WeakPolarHBondContact O-CB 3.25Å; V660-M663 PolarHBondContact O-N 3.35Å; V660-I664 WeakPolarHBondContact O-CG1 3.05Å; V660-I664 PolarHBondContact O-N 2.94Å; V660-I671 HydrophobicContact CG2-CD1 4.32Å; V660-I673 HydrophobicContact CG2-CD1 3.76Å; V660-I678 HydrophobicContact CG2-CG2 4.34Å; V660-V703 HydrophobicContact CG1-CB 4.33Å; V660-V703 HydrophobicContact CG1-CG1 3.71Å; V660-V703 HydrophobicContact CG1-CG2 3.76Å
661	I	96.3	Very high	96	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.118	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-40	178.7	-69.7	162.6	0	0	0	110.9	I595 F597 I608 M653 A657 E658 M663 I664 N665	I595-I661 HydrophobicContact CG2-CD1 4.33Å; F597-I661 HydrophobicContact CD2-CD1 3.76Å; F597-I661 HydrophobicContact CE2-CD1 4.24Å; I608-I661 HydrophobicContact CD1-CD1 4.04Å; I608-I661 HydrophobicContact CD1-CG1 3.97Å; M653-I661 HydrophobicContact CE-CD1 3.76Å; M653-I661 HydrophobicContact SD-CD1 3.92Å; A657-I661 WeakPolarHBondContact O-CG1 3.29Å; A657-I661 PolarHBondContact O-N 3.37Å; E658-I661 PolarHBondContact O-N 3.35Å; I661-M663 PolarHBondContact O-N 2.86Å; I661-I664 WeakPolarHBondContact O-CB 3.4Å; I661-I664 PolarHBondContact O-N 3.49Å; I661-I664 VanDerWaalsContact O-N 3.16Å; I661-N665 WeakPolarHBondContact CG2-ND2 3.28Å; I661-N665 VanDerWaalsContact O-CG 3.26Å; I661-N665 PolarHBondContact O-N 3.04Å; I661-N665 PolarHBondContact O-ND2 3.05Å
662	E	97.3	Very high	96.1	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-38.5	178.1	-171.2	66.5	179.3	0	0	112.1	E658 A659 V660 I664 N665 R666	E658-E662 WeakPolarHBondContact O-CB 3.44Å; E658-E662 PolarHBondContact O-N 3.18Å; A659-E662 PolarHBondContact O-N 2.77Å; V660-E662 VanDerWaalsContact C-N 3.33Å; V660-E662 PolarHBondContact O-N 3.24Å; E662-I664 VanDerWaalsContact C-N 3.28Å; E662-I664 PolarHBondContact O-N 3.23Å; E662-N665 PolarHBondContact O-N 3.49Å; E662-R666 HydrophobicContact CG-CG 4.41Å; E662-R666 WeakPolarHBondContact O-CB 3.38Å; E662-R666 WeakPolarHBondContact O-CG 3.32Å; E662-R666 PolarHBondContact O-N 2.93Å; E662-R666 IonicContact OE1-CZ 3.7Å; E662-R666 IonicContact OE1-NE 3.4Å; E662-R666 PolarHBondContact OE1-NE 2.83Å; E662-R666 IonicContact OE1-NH2 3.13Å; E662-R666 PolarHBondContact OE1-NH2 3.32Å
663	M	98.3	Very high	96.3	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.1	-45.7	171.7	176.9	-167.7	69.2	0	0	111.1	A659 V660 I661 G667 Q668 I671 I678 N680 V703	A659-M663 PolarHBondContact O-N 3.47Å; V660-M663 WeakPolarHBondContact O-CB 3.25Å; V660-M663 PolarHBondContact O-N 3.35Å; I661-M663 PolarHBondContact O-N 2.86Å; M663-G667 PolarHBondContact O-N 2.9Å; M663-Q668 HydrophobicContact CB-CB 4.38Å; M663-Q668 HydrophobicContact CG-CB 3.72Å; M663-Q668 PolarHBondContact O-N 3.18Å; M663-I671 HydrophobicContact CB-CD1 4.12Å; M663-I671 HydrophobicContact CB-CG2 3.93Å; M663-I671 HydrophobicContact CG-CG2 3.9Å; M663-I671 HydrophobicContact SD-CB 4.32Å; M663-I671 HydrophobicContact SD-CD1 4.27Å; M663-I671 HydrophobicContact SD-CG1 3.79Å; M663-I671 HydrophobicContact SD-CG2 4.04Å; M663-I678 HydrophobicContact CE-CG2 4.29Å; M663-N680 HydrophobicContact CE-CB 4.14Å; M663-N680 HydrophobicContact SD-CB 4.4Å; M663-V703 HydrophobicContact CE-CB 4.13Å; M663-V703 HydrophobicContact CE-CG2 4Å
664	I	98	Very high	96.5	Very high	15 Å²	15	59.7 Å²	59.7	8%	0.077	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-49.1	179	-61.8	-58.4	0	0	0	111	V660 I661 E662 R666 G667 N680 V703 T705 Q708	V660-I664 WeakPolarHBondContact O-CG1 3.05Å; V660-I664 PolarHBondContact O-N 2.94Å; I661-I664 WeakPolarHBondContact O-CB 3.4Å; I661-I664 PolarHBondContact O-N 3.49Å; I661-I664 VanDerWaalsContact O-N 3.16Å; E662-I664 VanDerWaalsContact C-N 3.28Å; E662-I664 PolarHBondContact O-N 3.23Å; I664-R666 VanDerWaalsContact C-N 3.28Å; I664-R666 PolarHBondContact O-N 3.35Å; I664-G667 PolarHBondContact O-N 3.29Å; I664-N680 HydrophobicContact CD1-CB 4.28Å; I664-V703 HydrophobicContact CD1-CB 4.23Å; I664-V703 HydrophobicContact CD1-CG1 4.01Å; I664-V703 HydrophobicContact CG1-CG1 4.1Å; I664-T705 HydrophobicContact CD1-CG2 4.42Å; I664-T705 HydrophobicContact CG1-CG2 3.98Å; I664-T705 HydrophobicContact CG2-CG2 4.14Å; I664-Q708 HydrophobicContact CG2-CG 3.93Å
665	N	96.8	Very high	96.6	Very high	104 Å²	104	61.5 Å²	61.5	56%	0.556	35%	0.346	S	S	*	.	H	α-helix	trans	-61.6	-35.9	-178	-69	-19.6	0	0	0	112.7	I661 E662 G667	I661-N665 WeakPolarHBondContact CG2-ND2 3.28Å; I661-N665 VanDerWaalsContact O-CG 3.26Å; I661-N665 PolarHBondContact O-N 3.04Å; I661-N665 PolarHBondContact O-ND2 3.05Å; E662-N665 PolarHBondContact O-N 3.49Å; N665-G667 VanDerWaalsContact C-N 3.31Å
666	R	97.1	Very high	96.9	Very high	170 Å²	170	58.5 Å²	58.5	64%	0.642	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.4	177.4	-68.8	-172.4	-177.8	-101.1	-11.4	113.9	E662 I664 Q668	E662-R666 HydrophobicContact CG-CG 4.41Å; E662-R666 WeakPolarHBondContact O-CB 3.38Å; E662-R666 WeakPolarHBondContact O-CG 3.32Å; E662-R666 PolarHBondContact O-N 2.93Å; E662-R666 IonicContact OE1-CZ 3.7Å; E662-R666 IonicContact OE1-NE 3.4Å; E662-R666 PolarHBondContact OE1-NE 2.83Å; E662-R666 IonicContact OE1-NH2 3.13Å; E662-R666 PolarHBondContact OE1-NH2 3.32Å; I664-R666 VanDerWaalsContact C-N 3.28Å; I664-R666 PolarHBondContact O-N 3.35Å; R666-Q668 HydrophobicContact CB-CG 3.93Å; R666-Q668 PolarHBondContact O-N 3.4Å
667	G	95.9	Very high	97.1	Very high	53 Å²	53	59.2 Å²	59.2	55%	0.546	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	28.1	-172.2	0	0	0	0	0	112.9	M663 I664 N665	M663-G667 PolarHBondContact O-N 2.9Å; I664-G667 PolarHBondContact O-N 3.29Å; N665-G667 VanDerWaalsContact C-N 3.31Å
668	Q	97.8	Very high	97.2	Very high	86 Å²	86	59.2 Å²	59.2	40%	0.402	33%	0.331	S	S	.	.			trans	-67	143.7	175.4	-75.6	177.3	-24.2	0	0	109.9	M663 R666 N680	M663-Q668 HydrophobicContact CB-CB 4.38Å; M663-Q668 HydrophobicContact CG-CB 3.72Å; M663-Q668 PolarHBondContact O-N 3.18Å; R666-Q668 HydrophobicContact CB-CG 3.93Å; R666-Q668 PolarHBondContact O-N 3.4Å; Q668-N680 WeakPolarHBondContact O-CB 3.42Å; Q668-N680 PolarHBondContact O-ND2 3.19Å
669	I	97.9	Very high	97.4	Very high	71 Å²	71	54.3 Å²	54.3	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-68.5	-46	-176.7	-66	170.8	0	0	0	111.1	N680 A683 I687	I669-N680 WeakPolarHBondContact O-CB 3.4Å; I669-N680 PolarHBondContact O-N 3.41Å; I669-A683 HydrophobicContact CB-CB 4.26Å; I669-A683 HydrophobicContact CG1-CB 4.22Å; I669-A683 HydrophobicContact CG2-CB 3.93Å; I669-I687 HydrophobicContact CG2-CD1 3.81Å; I669-I687 HydrophobicContact CG2-CG1 3.6Å
670	Q	97.8	Very high	97.5	Very high	97 Å²	97	52.6 Å²	52.6	45%	0.453	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	159.3	-177.5	62.8	-175.9	11.5	0	0	111.5	I678	Q670-I678 CarbonylContact C-O 3.54Å; Q670-I678 WeakPolarHBondContact CA-O 3.38Å; Q670-I678 WeakPolarHBondContact CB-O 3.14Å
671	I	98.4	Very high	97.5	Very high	33 Å²	33	52.5 Å²	52.5	17%	0.169	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	170.6	170.4	63.3	178.3	0	0	0	110.2	A659 V660 M663 I673 I678	A659-I671 HydrophobicContact CB-CD1 4.33Å; V660-I671 HydrophobicContact CG2-CD1 4.32Å; M663-I671 HydrophobicContact CB-CD1 4.12Å; M663-I671 HydrophobicContact CB-CG2 3.93Å; M663-I671 HydrophobicContact CG-CG2 3.9Å; M663-I671 HydrophobicContact SD-CB 4.32Å; M663-I671 HydrophobicContact SD-CD1 4.27Å; M663-I671 HydrophobicContact SD-CG1 3.79Å; M663-I671 HydrophobicContact SD-CG2 4.04Å; I671-I673 HydrophobicContact CD1-CD1 3.83Å; I671-I673 HydrophobicContact CD1-CG1 4.11Å; I671-I673 HydrophobicContact CG1-CD1 4.49Å; I671-I673 HydrophobicContact CG1-CG1 4.35Å; I671-I678 HydrophobicContact CG1-CB 3.91Å; I671-I678 HydrophobicContact CG1-CG1 4.49Å; I671-I678 HydrophobicContact CG1-CG2 4.49Å; I671-I678 PolarHBondContact N-O 2.97Å; I671-I678 PolarHBondContact O-N 3.33Å
672	T	98.1	Very high	97.6	Very high	103 Å²	103	54.8 Å²	54.8	63%	0.632	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	129	175.1	-55.6	0	0	0	0	110	F676	T672-F676 WeakPolarHBondContact CA-O 3.5Å
673	I	97.1	Very high	97.6	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.6	176.7	-55.7	-174.8	0	0	0	108	F618 I656 V660 I671 G675 F676 I678	F618-I673 HydrophobicContact CE2-CB 4.03Å; F618-I673 HydrophobicContact CE2-CG2 3.95Å; I656-I673 HydrophobicContact CD1-CG2 4.23Å; I656-I673 HydrophobicContact CG1-CG2 4.21Å; I656-I673 HydrophobicContact CG2-CD1 3.93Å; I656-I673 HydrophobicContact CG2-CG2 3.97Å; V660-I673 HydrophobicContact CG2-CD1 3.76Å; I671-I673 HydrophobicContact CD1-CD1 3.83Å; I671-I673 HydrophobicContact CD1-CG1 4.11Å; I671-I673 HydrophobicContact CG1-CD1 4.49Å; I671-I673 HydrophobicContact CG1-CG1 4.35Å; I673-G675 PolarHBondContact O-N 3.48Å; I673-G675 VanDerWaalsContact O-N 3.09Å; I673-F676 PolarHBondContact N-O 3.21Å; I673-F676 WeakPolarHBondContact O-CB 3.46Å; I673-F676 PolarHBondContact O-N 2.9Å; I673-I678 HydrophobicContact CB-CG1 4.32Å; I673-I678 HydrophobicContact CD1-CG1 4.27Å; I673-I678 HydrophobicContact CG1-CG1 4.14Å
674	N	95.8	Very high	97.6	Very high	94 Å²	94	51.9 Å²	51.9	50%	0.503	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	33	-178	-61.4	-11.3	0	0	0	113.9	S621 F676	S621-N674 PolarHBondContact O-ND2 2.54Å; S621-N674 PolarHBondContact OG-ND2 3.33Å; N674-F676 VanDerWaalsContact C-N 3.3Å; N674-F676 HydrophobicContact CB-CD2 4.26Å; N674-F676 WeakPolarHBondContact O-CD2 3.46Å; N674-F676 PolarHBondContact O-N 2.98Å
675	G	95.6	Very high	97.4	Very high	71 Å²	71	54 Å²	54	73%	0.732	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-5.6	-176.9	0	0	0	0	0	115.4	I673	I673-G675 PolarHBondContact O-N 3.48Å; I673-G675 VanDerWaalsContact O-N 3.09Å
676	F	98	Very high	97.5	Very high	48 Å²	48	55.4 Å²	55.4	21%	0.211	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.5	175.7	-63.5	-89.7	0	0	0	111.3	D614 A617 F618 T672 I673 N674 I678 I701	D614-F676 HydrophobicContact CB-CD1 4.45Å; D614-F676 HydrophobicContact CB-CE1 4.32Å; A617-F676 VanDerWaalsContact C-CZ 3.49Å; A617-F676 HydrophobicContact CB-CE1 3.86Å; A617-F676 HydrophobicContact CB-CZ 3.87Å; F618-F676 HydrophobicContact CB-CD1 3.94Å; F618-F676 HydrophobicContact CB-CD2 4.18Å; F618-F676 HydrophobicContact CB-CE1 4.16Å; F618-F676 HydrophobicContact CB-CE2 4.39Å; F618-F676 HydrophobicContact CB-CG 3.95Å; F618-F676 HydrophobicContact CB-CZ 4.38Å; F618-F676 HydrophobicContact CD2-CB 3.9Å; F618-F676 AromaticContact CD2-CD2 3.8Å; F618-F676 HydrophobicContact CD2-CD2 3.8Å; F618-F676 AromaticContact CD2-CG 3.88Å; F618-F676 HydrophobicContact CD2-CG 3.88Å; F618-F676 HydrophobicContact CG-CG 4.37Å; T672-F676 WeakPolarHBondContact CA-O 3.5Å; I673-F676 PolarHBondContact N-O 3.21Å; I673-F676 WeakPolarHBondContact O-CB 3.46Å; I673-F676 PolarHBondContact O-N 2.9Å; N674-F676 VanDerWaalsContact C-N 3.3Å; N674-F676 HydrophobicContact CB-CD2 4.26Å; N674-F676 WeakPolarHBondContact O-CD2 3.46Å; N674-F676 PolarHBondContact O-N 2.98Å; F676-I678 HydrophobicContact CB-CD1 4.18Å; F676-I701 HydrophobicContact CB-CD1 4.42Å; F676-I701 HydrophobicContact CD1-CD1 4.39Å
677	S	97.9	Very high	97.5	Very high	41 Å²	41	49.9 Å²	49.9	29%	0.287	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.8	172.7	-177.2	0	0	0	0	110.2	T700 I701	S677-T700 WeakPolarHBondContact OG-CG2 3.41Å; S677-I701 PolarHBondContact O-N 3.49Å
678	I	98.5	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.6	178.1	-47.5	-56.3	0	0	0	108	F618 V660 M663 Q670 I671 I673 F676 I701 V703	F618-I678 HydrophobicContact CD2-CD1 4.14Å; F618-I678 HydrophobicContact CE1-CD1 4.31Å; F618-I678 HydrophobicContact CE2-CD1 3.88Å; F618-I678 HydrophobicContact CG-CD1 4.47Å; F618-I678 HydrophobicContact CZ-CD1 3.96Å; V660-I678 HydrophobicContact CG2-CG2 4.34Å; M663-I678 HydrophobicContact CE-CG2 4.29Å; Q670-I678 CarbonylContact C-O 3.54Å; Q670-I678 WeakPolarHBondContact CA-O 3.38Å; Q670-I678 WeakPolarHBondContact CB-O 3.14Å; I671-I678 HydrophobicContact CG1-CB 3.91Å; I671-I678 HydrophobicContact CG1-CG1 4.49Å; I671-I678 HydrophobicContact CG1-CG2 4.49Å; I671-I678 PolarHBondContact N-O 2.97Å; I671-I678 PolarHBondContact O-N 3.33Å; I673-I678 HydrophobicContact CB-CG1 4.32Å; I673-I678 HydrophobicContact CD1-CG1 4.27Å; I673-I678 HydrophobicContact CG1-CG1 4.14Å; F676-I678 HydrophobicContact CB-CD1 4.18Å; I678-I701 CarbonylContact C-O 3.56Å; I678-I701 WeakPolarHBondContact CA-O 3.46Å; I678-I701 HydrophobicContact CD1-CB 3.81Å; I678-I701 HydrophobicContact CD1-CD1 3.92Å; I678-I701 HydrophobicContact CD1-CG1 4.4Å; I678-I701 HydrophobicContact CD1-CG2 4.1Å; I678-V703 HydrophobicContact CG2-CG2 3.37Å
679	S	98.6	Very high	97.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.9	-172.6	-58.7	0	0	0	0	111.9	G681 I687 T700 I701 V703	S679-G681 PolarHBondContact O-N 3.27Å; S679-I687 WeakPolarHBondContact OG-CD1 3.34Å; S679-T700 VanDerWaalsContact OG-CB 3.24Å; S679-T700 WeakPolarHBondContact OG-CB 3.33Å; S679-T700 PolarHBondContact OG-OG1 3.21Å; S679-I701 PolarHBondContact N-O 3.1Å; S679-V703 PolarHBondContact O-N 3.03Å
680	N	98.6	Very high	97.5	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.032	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.8	168.7	-174.5	-23.5	0	0	0	109.9	M663 I664 Q668 I669 L682 A683 Q708	M663-N680 HydrophobicContact CE-CB 4.14Å; M663-N680 HydrophobicContact SD-CB 4.4Å; I664-N680 HydrophobicContact CD1-CB 4.28Å; Q668-N680 WeakPolarHBondContact O-CB 3.42Å; Q668-N680 PolarHBondContact O-ND2 3.19Å; I669-N680 WeakPolarHBondContact O-CB 3.4Å; I669-N680 PolarHBondContact O-N 3.41Å; N680-L682 PolarHBondContact O-N 2.95Å; N680-L682 VanDerWaalsContact O-N 3.1Å; N680-L682 PolarHBondContact OD1-N 3.39Å; N680-A683 HydrophobicContact CB-CB 4.44Å; N680-A683 PolarHBondContact O-N 2.83Å; N680-Q708 PolarHBondContact OD1-NE2 2.97Å
681	G	98.1	Very high	97.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.8	-176.6	0	0	0	0	0	116.3	S679 I702 V703 R787	S679-G681 PolarHBondContact O-N 3.27Å; G681-I702 VanDerWaalsContact CA-CG2 3.48Å; G681-V703 WeakPolarHBondContact CA-O 3.18Å; G681-V703 PolarHBondContact N-O 3.37Å; G681-R787 PolarHBondContact O-NH2 3.34Å
682	L	98	Very high	97.5	Very high	71 Å²	71	43 Å²	43	37%	0.372	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.6	173	-66.2	-179	0	0	0	113.6	N680 Q708 Y709	N680-L682 PolarHBondContact O-N 2.95Å; N680-L682 VanDerWaalsContact O-N 3.1Å; N680-L682 PolarHBondContact OD1-N 3.39Å; L682-Q708 HydrophobicContact CD1-CB 3.82Å; L682-Q708 HydrophobicContact CD1-CG 3.83Å; L682-Q708 HydrophobicContact CD2-CB 4.41Å; L682-Q708 HydrophobicContact CG-CB 4.07Å; L682-Q708 HydrophobicContact CG-CG 3.97Å; L682-Y709 HydrophobicContact CD2-CE1 3.73Å
683	A	97.8	Very high	97.5	Very high	5 Å²	5	39 Å²	39	4%	0.041	22%	0.223	C	C	.	.			trans	-110.3	13.5	-174	0	0	0	0	0	113.3	I669 N680 T685 Q686 I687	I669-A683 HydrophobicContact CB-CB 4.26Å; I669-A683 HydrophobicContact CG1-CB 4.22Å; I669-A683 HydrophobicContact CG2-CB 3.93Å; N680-A683 HydrophobicContact CB-CB 4.44Å; N680-A683 PolarHBondContact O-N 2.83Å; A683-T685 VanDerWaalsContact C-N 3.29Å; A683-T685 PolarHBondContact O-N 2.94Å; A683-Q686 WeakPolarHBondContact O-CB 3.47Å; A683-Q686 PolarHBondContact O-N 3.28Å; A683-I687 HydrophobicContact CB-CD1 4.42Å; A683-I687 WeakPolarHBondContact O-CG1 3.36Å; A683-I687 PolarHBondContact O-N 3.27Å; A683-I687 VanDerWaalsContact O-N 3.16Å
684	T	97	Very high	97.5	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-36.3	-174.8	55.3	0	0	0	0	113.1	Q686 I687 N688 I702	T684-Q686 VanDerWaalsContact C-N 3.26Å; T684-Q686 PolarHBondContact O-N 3.47Å; T684-I687 PolarHBondContact O-N 3.42Å; T684-N688 CarbonylContact O-C 3.42Å; T684-N688 VanDerWaalsContact O-C 3.27Å; T684-N688 PolarHBondContact O-N 3.03Å; T684-N688 VanDerWaalsContact O-O 3.1Å; T684-I702 HydrophobicContact CG2-CD1 4.17Å
685	T	95.9	Very high	97.6	Very high	58 Å²	58	35.5 Å²	35.5	36%	0.356	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-30.6	175.9	51.7	0	0	0	0	113.2	A683 A692 P781	A683-T685 VanDerWaalsContact C-N 3.29Å; A683-T685 PolarHBondContact O-N 2.94Å; T685-A692 HydrophobicContact CG2-CB 3.65Å; T685-P781 HydrophobicContact CG2-CB 4.3Å; T685-P781 HydrophobicContact CG2-CG 3.48Å; T685-P781 VanDerWaalsContact CG2-CG 3.48Å
686	Q	97.1	Very high	97.8	Very high	134 Å²	134	34.8 Å²	34.8	63%	0.626	18%	0.182	S	C	*	.	H	α-helix	trans	-80.2	-28.9	177.9	-58.5	174.1	41.4	0	0	111.8	A683 T684	A683-Q686 WeakPolarHBondContact O-CB 3.47Å; A683-Q686 PolarHBondContact O-N 3.28Å; T684-Q686 VanDerWaalsContact C-N 3.26Å; T684-Q686 PolarHBondContact O-N 3.47Å
687	I	96.9	Very high	97.8	Very high	55 Å²	55	34.8 Å²	34.8	28%	0.282	19%	0.186	S	C	.	.	H	α-helix	trans	-85.4	-51.5	-178.3	-62.4	168.4	0	0	0	110.7	I669 S679 A683 T684	I669-I687 HydrophobicContact CG2-CD1 3.81Å; I669-I687 HydrophobicContact CG2-CG1 3.6Å; S679-I687 WeakPolarHBondContact OG-CD1 3.34Å; A683-I687 HydrophobicContact CB-CD1 4.42Å; A683-I687 WeakPolarHBondContact O-CG1 3.36Å; A683-I687 PolarHBondContact O-N 3.27Å; A683-I687 VanDerWaalsContact O-N 3.16Å; T684-I687 PolarHBondContact O-N 3.42Å
688	N	97.2	Very high	97.8	Very high	33 Å²	33	33.2 Å²	33.2	18%	0.176	17%	0.174	C	C	.	.			trans	-155.2	102.2	175.1	-178.5	-7.4	0	0	0	109.9	T684 K690 A691 A692 E696 R699	T684-N688 CarbonylContact O-C 3.42Å; T684-N688 VanDerWaalsContact O-C 3.27Å; T684-N688 PolarHBondContact O-N 3.03Å; T684-N688 VanDerWaalsContact O-O 3.1Å; N688-K690 VanDerWaalsContact C-N 3.32Å; N688-K690 PolarHBondContact O-N 3.46Å; N688-K690 PolarHBondContact OD1-N 3.33Å; N688-A691 HydrophobicContact CB-CB 3.86Å; N688-A691 WeakPolarHBondContact O-CB 3.35Å; N688-A691 PolarHBondContact O-N 3.11Å; N688-A691 VanDerWaalsContact O-N 3.09Å; N688-A691 PolarHBondContact OD1-N 3.41Å; N688-A692 PolarHBondContact O-N 3.48Å; N688-E696 PolarHBondContact ND2-OE2 3.48Å; N688-R699 PolarHBondContact ND2-NH2 3.3Å
689	N	97.4	Very high	97.6	Very high	90 Å²	90	41.5 Å²	41.5	48%	0.481	21%	0.206	S	C	.	.	H	α-helix	trans	-60.8	-36.9	-179.9	-170.8	63.3	0	0	0	113.5	A691 A692 T693	N689-A691 VanDerWaalsContact C-N 3.29Å; N689-A691 PolarHBondContact O-N 3.44Å; N689-A692 WeakPolarHBondContact O-CB 3.49Å; N689-A692 PolarHBondContact O-N 2.95Å; N689-A692 VanDerWaalsContact O-N 3.16Å; N689-T693 PolarHBondContact O-N 2.89Å; N689-T693 PolarHBondContact O-OG1 3.17Å
690	K	97.8	Very high	97.6	Very high	65 Å²	65	42.8 Å²	42.8	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-65.9	-33.2	175.8	-77.3	-171.2	171.9	-80.6	0	111.9	N474 N688 T693 G694 E695 E696	N474-K690 PolarHBondContact OD1-NZ 2.85Å; N688-K690 VanDerWaalsContact C-N 3.32Å; N688-K690 PolarHBondContact O-N 3.46Å; N688-K690 PolarHBondContact OD1-N 3.33Å; K690-T693 WeakPolarHBondContact CA-OG1 3.24Å; K690-T693 PolarHBondContact O-OG1 2.9Å; K690-T693 VanDerWaalsContact O-OG1 3.05Å; K690-G694 PolarHBondContact O-N 3Å; K690-E695 HydrophobicContact CB-CB 4.01Å; K690-E695 HydrophobicContact CG-CB 4.27Å; K690-E695 IonicContact NZ-OE2 3.45Å; K690-E695 PolarHBondContact NZ-OE2 3.36Å; K690-E695 WeakPolarHBondContact O-CA 3.47Å; K690-E695 WeakPolarHBondContact O-CB 3.41Å; K690-E695 PolarHBondContact O-N 2.92Å; K690-E696 HydrophobicContact CB-CB 4.16Å; K690-E696 HydrophobicContact CB-CG 3.88Å; K690-E696 HydrophobicContact CD-CG 4.44Å; K690-E696 PolarHBondContact O-N 3.02Å
691	A	97.9	Very high	97.6	Very high	6 Å²	6	42.7 Å²	42.7	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-69	-39.1	172.3	0	0	0	0	0	112	N688 N689 T693 G694 E696 P698 E783	N688-A691 HydrophobicContact CB-CB 3.86Å; N688-A691 WeakPolarHBondContact O-CB 3.35Å; N688-A691 PolarHBondContact O-N 3.11Å; N688-A691 VanDerWaalsContact O-N 3.09Å; N688-A691 PolarHBondContact OD1-N 3.41Å; N689-A691 VanDerWaalsContact C-N 3.29Å; N689-A691 PolarHBondContact O-N 3.44Å; A691-T693 VanDerWaalsContact C-N 3.34Å; A691-T693 PolarHBondContact O-N 3.01Å; A691-G694 PolarHBondContact O-N 3.05Å; A691-E696 WeakPolarHBondContact CA-O 3.44Å; A691-P698 HydrophobicContact CB-CB 4.41Å; A691-P698 HydrophobicContact CB-CG 4.11Å; A691-E783 VanDerWaalsContact O-CB 3.28Å; A691-E783 WeakPolarHBondContact O-CB 3.25Å
692	A	98.1	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-35.9	177.7	0	0	0	0	0	113	T685 N688 N689 G694 P781 K782 E783	T685-A692 HydrophobicContact CG2-CB 3.65Å; N688-A692 PolarHBondContact O-N 3.48Å; N689-A692 WeakPolarHBondContact O-CB 3.49Å; N689-A692 PolarHBondContact O-N 2.95Å; N689-A692 VanDerWaalsContact O-N 3.16Å; A692-G694 VanDerWaalsContact C-N 3.3Å; A692-P781 HydrophobicContact CB-CB 3.86Å; A692-P781 HydrophobicContact CB-CG 4.34Å; A692-P781 CarbonylContact O-C 3.51Å; A692-P781 WeakPolarHBondContact O-CB 3.32Å; A692-K782 PolarHBondContact O-N 3.09Å; A692-E783 WeakPolarHBondContact O-CB 3.34Å; A692-E783 PolarHBondContact O-N 3.03Å
693	T	97.7	Very high	97.7	Very high	21 Å²	21	39.4 Å²	39.4	13%	0.129	20%	0.196	C	C	.	.	H	α-helix	trans	-78.9	-11.3	175.9	55.1	0	0	0	0	113.5	N689 K690 A691 E695	N689-T693 PolarHBondContact O-N 2.89Å; N689-T693 PolarHBondContact O-OG1 3.17Å; K690-T693 WeakPolarHBondContact CA-OG1 3.24Å; K690-T693 PolarHBondContact O-OG1 2.9Å; K690-T693 VanDerWaalsContact O-OG1 3.05Å; A691-T693 VanDerWaalsContact C-N 3.34Å; A691-T693 PolarHBondContact O-N 3.01Å; T693-E695 WeakPolarHBondContact OG1-CG 3.43Å; T693-E695 PolarHBondContact OG1-OE1 3.47Å
694	G	98	Very high	97.7	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	10.5	-175.3	0	0	0	0	0	114.3	K690 A691 A692	K690-G694 PolarHBondContact O-N 3Å; A691-G694 PolarHBondContact O-N 3.05Å; A692-G694 VanDerWaalsContact C-N 3.3Å
695	E	98.4	Very high	97.8	Very high	29 Å²	29	39 Å²	39	14%	0.136	19%	0.192	C	C	.	.	S	Bend	trans	-74.8	-26	174	-73	176.4	-99.2	0	0	112.8	T473 N474 F475 K690 T693	T473-E695 WeakPolarHBondContact CA-OE2 3.17Å; N474-E695 HydrophobicContact CB-CB 3.76Å; N474-E695 HydrophobicContact CB-CG 3.99Å; N474-E695 PolarHBondContact N-OE2 2.98Å; N474-E695 PolarHBondContact ND2-O 3.46Å; F475-E695 HydrophobicContact CD2-CG 3.98Å; F475-E695 HydrophobicContact CE2-CG 3.53Å; F475-E695 HydrophobicContact CZ-CG 3.95Å; K690-E695 HydrophobicContact CB-CB 4.01Å; K690-E695 HydrophobicContact CG-CB 4.27Å; K690-E695 IonicContact NZ-OE2 3.45Å; K690-E695 PolarHBondContact NZ-OE2 3.36Å; K690-E695 WeakPolarHBondContact O-CA 3.47Å; K690-E695 WeakPolarHBondContact O-CB 3.41Å; K690-E695 PolarHBondContact O-N 2.92Å; T693-E695 WeakPolarHBondContact OG1-CG 3.43Å; T693-E695 PolarHBondContact OG1-OE1 3.47Å
696	E	98.3	Very high	97.9	Very high	56 Å²	56	36.2 Å²	36.2	26%	0.262	18%	0.175	S	C	.	.	S	Bend	trans	-129	155	173.3	-75.1	-178.8	-165.8	0	0	110.3	N688 K690 A691 R699	N688-E696 PolarHBondContact ND2-OE2 3.48Å; K690-E696 HydrophobicContact CB-CB 4.16Å; K690-E696 HydrophobicContact CB-CG 3.88Å; K690-E696 HydrophobicContact CD-CG 4.44Å; K690-E696 PolarHBondContact O-N 3.02Å; A691-E696 WeakPolarHBondContact CA-O 3.44Å; E696-R699 IonicContact OE2-CZ 3.76Å; E696-R699 IonicContact OE2-NH1 2.81Å; E696-R699 PolarHBondContact OE2-NH1 2.97Å; E696-R699 IonicContact OE2-NH2 3.05Å
697	V	98.3	Very high	97.9	Very high	48 Å²	48	32.5 Å²	32.5	29%	0.291	16%	0.164	S	C	.	.			trans	-77.7	133.7	168.8	-178.3	0	0	0	0	108.9	P587 I613 R699	P587-V697 HydrophobicContact CG-CB 4.38Å; P587-V697 HydrophobicContact CG-CG1 3.75Å; P587-V697 HydrophobicContact CG-CG2 3.64Å; I613-V697 HydrophobicContact CD1-CG1 3.94Å; I613-V697 HydrophobicContact CG1-CG1 3.88Å; V697-R699 PolarHBondContact O-N 2.92Å
698	P	97.9	Very high	98	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.045	16%	0.157	C	C	.	.			trans	-55.8	132	173.2	-25.4	33.3	0	0	0	112.8	A691 I702 E783	A691-P698 HydrophobicContact CB-CB 4.41Å; A691-P698 HydrophobicContact CB-CG 4.11Å; P698-I702 HydrophobicContact CB-CD1 3.56Å; P698-I702 HydrophobicContact CB-CG1 4.43Å; P698-I702 HydrophobicContact CG-CD1 3.69Å; P698-E783 HydrophobicContact CG-CG 4.12Å
699	R	95.6	Very high	98	Very high	175 Å²	175	30.5 Å²	30.5	66%	0.66	15%	0.152	S	C	*	.	S	Bend	trans	-93.1	3.1	180	-63.8	-173.1	-76.3	-94	-0.5	113.7	N688 E696 V697	N688-R699 PolarHBondContact ND2-NH2 3.3Å; E696-R699 IonicContact OE2-CZ 3.76Å; E696-R699 IonicContact OE2-NH1 2.81Å; E696-R699 PolarHBondContact OE2-NH1 2.97Å; E696-R699 IonicContact OE2-NH2 3.05Å; V697-R699 PolarHBondContact O-N 2.92Å
700	T	97.6	Very high	98.1	Very high	27 Å²	27	29 Å²	29	17%	0.166	16%	0.158	C	C	.	.	S	Bend	trans	-120.9	167.1	-178.9	63.7	0	0	0	0	110.5	S677 S679	S677-T700 WeakPolarHBondContact OG-CG2 3.41Å; S679-T700 VanDerWaalsContact OG-CB 3.24Å; S679-T700 WeakPolarHBondContact OG-CB 3.33Å; S679-T700 PolarHBondContact OG-OG1 3.21Å
701	I	98.7	Very high	98.1	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.9	170	-63.5	170.7	0	0	0	107.6	L610 N611 L615 F618 F676 S677 I678 S679	L610-I701 HydrophobicContact CB-CG2 4.25Å; L610-I701 HydrophobicContact CD2-CG2 4.16Å; N611-I701 CarbonylContact O-C 3.58Å; N611-I701 WeakPolarHBondContact O-CA 3.49Å; L615-I701 HydrophobicContact CD1-CG2 4.17Å; F618-I701 HydrophobicContact CB-CD1 3.21Å; F618-I701 HydrophobicContact CD1-CD1 3.73Å; F618-I701 HydrophobicContact CD2-CD1 4.24Å; F618-I701 HydrophobicContact CG-CD1 3.47Å; F618-I701 VanDerWaalsContact CG-CD1 3.47Å; F676-I701 HydrophobicContact CB-CD1 4.42Å; F676-I701 HydrophobicContact CD1-CD1 4.39Å; S677-I701 PolarHBondContact O-N 3.49Å; I678-I701 CarbonylContact C-O 3.56Å; I678-I701 WeakPolarHBondContact CA-O 3.46Å; I678-I701 HydrophobicContact CD1-CB 3.81Å; I678-I701 HydrophobicContact CD1-CD1 3.92Å; I678-I701 HydrophobicContact CD1-CG1 4.4Å; I678-I701 HydrophobicContact CD1-CG2 4.1Å; S679-I701 PolarHBondContact N-O 3.1Å
702	I	98.8	Very high	98.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133	-177.6	-58.1	167.5	0	0	0	109.9	L610 N611 G681 T684 P698	L610-I702 WeakPolarHBondContact CA-O 3.37Å; N611-I702 PolarHBondContact N-O 2.93Å; N611-I702 PolarHBondContact O-N 3.46Å; G681-I702 VanDerWaalsContact CA-CG2 3.48Å; T684-I702 HydrophobicContact CG2-CD1 4.17Å; P698-I702 HydrophobicContact CB-CD1 3.56Å; P698-I702 HydrophobicContact CB-CG1 4.43Å; P698-I702 HydrophobicContact CG-CD1 3.69Å
703	V	98.8	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.3	175.1	-174.9	0	0	0	0	109.8	I608 V609 L610 V660 M663 I664 I678 S679 G681 T705 Q708	I608-V703 HydrophobicContact CG2-CG1 4.28Å; V609-V703 WeakPolarHBondContact O-CA 3.25Å; L610-V703 HydrophobicContact CD2-CG2 4.36Å; L610-V703 HydrophobicContact CG-CG2 4.22Å; V660-V703 HydrophobicContact CG1-CB 4.33Å; V660-V703 HydrophobicContact CG1-CG1 3.71Å; V660-V703 HydrophobicContact CG1-CG2 3.76Å; M663-V703 HydrophobicContact CE-CB 4.13Å; M663-V703 HydrophobicContact CE-CG2 4Å; I664-V703 HydrophobicContact CD1-CB 4.23Å; I664-V703 HydrophobicContact CD1-CG1 4.01Å; I664-V703 HydrophobicContact CG1-CG1 4.1Å; I678-V703 HydrophobicContact CG2-CG2 3.37Å; S679-V703 PolarHBondContact O-N 3.03Å; G681-V703 WeakPolarHBondContact CA-O 3.18Å; G681-V703 PolarHBondContact N-O 3.37Å; V703-T705 HydrophobicContact CG1-CG2 4.04Å; V703-Q708 PolarHBondContact O-NE2 2.78Å
704	T	98.8	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.5	178.7	-44.3	0	0	0	0	109.3	V609 Y709 R787 R788 L791	V609-T704 PolarHBondContact N-O 3.2Å; V609-T704 PolarHBondContact O-N 2.87Å; T704-Y709 HydrophobicContact CG2-CE2 4.19Å; T704-R787 HydrophobicContact CG2-CG 4.43Å; T704-R787 VanDerWaalsContact OG1-CD 3.28Å; T704-R787 WeakPolarHBondContact OG1-CD 3.47Å; T704-R787 WeakPolarHBondContact OG1-CG 3.34Å; T704-R787 PolarHBondContact OG1-NH1 3.45Å; T704-R788 HydrophobicContact CG2-CB 4.44Å; T704-L791 HydrophobicContact CG2-CD1 3.69Å; T704-L791 HydrophobicContact CG2-CD2 4.07Å; T704-L791 HydrophobicContact CG2-CG 3.91Å
705	T	98.6	Very high	97.7	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.4	-176.7	75.5	0	0	0	0	112.4	R607 I608 I664 V703 S707 Q708 Y709 L791	R607-T705 CarbonylContact O-C 3.54Å; R607-T705 VanDerWaalsContact O-CA 3.22Å; R607-T705 WeakPolarHBondContact O-CA 3.5Å; I608-T705 HydrophobicContact CB-CG2 4.34Å; I608-T705 HydrophobicContact CG1-CG2 4.05Å; I608-T705 HydrophobicContact CG2-CG2 4.02Å; I664-T705 HydrophobicContact CD1-CG2 4.42Å; I664-T705 HydrophobicContact CG1-CG2 3.98Å; I664-T705 HydrophobicContact CG2-CG2 4.14Å; V703-T705 HydrophobicContact CG1-CG2 4.04Å; T705-S707 VanDerWaalsContact C-N 3.32Å; T705-S707 PolarHBondContact OG1-OG 3.2Å; T705-Q708 WeakPolarHBondContact O-CB 3.19Å; T705-Q708 PolarHBondContact O-N 3.38Å; T705-Q708 WeakPolarHBondContact OG1-CG 3.28Å; T705-Q708 PolarHBondContact OG1-N 3.43Å; T705-Q708 VanDerWaalsContact OG1-N 3.14Å; T705-Y709 WeakPolarHBondContact O-CD2 3.48Å; T705-L791 WeakPolarHBondContact O-CD1 3.39Å
706	R	98.4	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-61.8	-40.1	169.7	-81.1	-163.3	178.6	-171.5	-5.5	112.6	N606 R607 Q708 Y709 G710 L711 P712 E713 A715 L791 D793	N606-R706 PolarHBondContact ND2-NH2 3.48Å; R607-R706 PolarHBondContact O-N 3.49Å; R706-Q708 VanDerWaalsContact C-N 3.27Å; R706-Q708 PolarHBondContact O-N 2.87Å; R706-Y709 PolarHBondContact O-N 2.87Å; R706-G710 PolarHBondContact O-N 3.49Å; R706-L711 HydrophobicContact CB-CB 3.8Å; R706-L711 HydrophobicContact CG-CB 3.96Å; R706-L711 HydrophobicContact CG-CD1 4.2Å; R706-L711 PolarHBondContact O-N 3.4Å; R706-P712 WeakPolarHBondContact CD-O 3.45Å; R706-P712 PolarHBondContact NH1-O 2.92Å; R706-E713 WeakPolarHBondContact CB-OE1 3.4Å; R706-A715 PolarHBondContact NH1-O 3.28Å; R706-L791 HydrophobicContact CG-CB 4.22Å; R706-L791 HydrophobicContact CG-CD2 4.44Å; R706-L791 PolarHBondContact NE-O 3.22Å; R706-L791 VanDerWaalsContact NE-O 3.07Å; R706-L791 PolarHBondContact NH2-O 3.49Å; R706-D793 IonicContact CZ-OD2 3.14Å; R706-D793 IonicContact NH2-OD1 2.77Å; R706-D793 IonicContact NH2-OD2 2.96Å; R706-D793 PolarHBondContact NH2-OD2 3.04Å
707	S	97.6	Very high	97.8	Very high	56 Å²	56	31.4 Å²	31.4	39%	0.392	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-56.1	-34.7	177.1	62.8	0	0	0	0	114.3	T705 Y709 G710 E713	T705-S707 VanDerWaalsContact C-N 3.32Å; T705-S707 PolarHBondContact OG1-OG 3.2Å; S707-Y709 PolarHBondContact O-N 3.33Å; S707-Y709 VanDerWaalsContact O-N 3.16Å; S707-G710 PolarHBondContact O-N 3.35Å; S707-E713 PolarHBondContact N-OE1 2.91Å
708	Q	98.3	Very high	97.8	Very high	29 Å²	29	29.1 Å²	29.1	14%	0.136	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-56.7	-30.1	175.3	-80.1	167.6	-28.9	0	0	113.2	I664 N680 L682 V703 T705 R706	I664-Q708 HydrophobicContact CG2-CG 3.93Å; N680-Q708 PolarHBondContact OD1-NE2 2.97Å; L682-Q708 HydrophobicContact CD1-CB 3.82Å; L682-Q708 HydrophobicContact CD1-CG 3.83Å; L682-Q708 HydrophobicContact CD2-CB 4.41Å; L682-Q708 HydrophobicContact CG-CB 4.07Å; L682-Q708 HydrophobicContact CG-CG 3.97Å; V703-Q708 PolarHBondContact O-NE2 2.78Å; T705-Q708 WeakPolarHBondContact O-CB 3.19Å; T705-Q708 PolarHBondContact O-N 3.38Å; T705-Q708 WeakPolarHBondContact OG1-CG 3.28Å; T705-Q708 PolarHBondContact OG1-N 3.43Å; T705-Q708 VanDerWaalsContact OG1-N 3.14Å; R706-Q708 VanDerWaalsContact C-N 3.27Å; R706-Q708 PolarHBondContact O-N 2.87Å
709	Y	98.2	Very high	97.8	Very high	18 Å²	18	28.8 Å²	28.8	7%	0.071	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-111.5	11.3	-175.8	-55.9	-80.6	0	0	0	112.7	L682 T704 T705 R706 S707 L711 W748 E784 R788 L791	L682-Y709 HydrophobicContact CD2-CE1 3.73Å; T704-Y709 HydrophobicContact CG2-CE2 4.19Å; T705-Y709 WeakPolarHBondContact O-CD2 3.48Å; R706-Y709 PolarHBondContact O-N 2.87Å; S707-Y709 PolarHBondContact O-N 3.33Å; S707-Y709 VanDerWaalsContact O-N 3.16Å; Y709-L711 PolarHBondContact O-N 2.96Å; Y709-W748 HydrophobicContact CD1-CH2 4.29Å; Y709-W748 AromaticContact CD1-CZ2 3.75Å; Y709-W748 HydrophobicContact CD1-CZ2 3.75Å; Y709-W748 HydrophobicContact CD2-CH2 4.03Å; Y709-W748 HydrophobicContact CD2-CZ2 4.18Å; Y709-W748 HydrophobicContact CE1-CZ2 4.45Å; Y709-W748 HydrophobicContact CE2-CH2 4.49Å; Y709-W748 AromaticContact CG-CH2 3.91Å; Y709-W748 HydrophobicContact CG-CH2 3.91Å; Y709-W748 AromaticContact CG-CZ2 3.58Å; Y709-W748 HydrophobicContact CG-CZ2 3.58Å; Y709-E784 WeakPolarHBondContact OH-CG 3.33Å; Y709-E784 PolarHBondContact OH-OE1 2.89Å; Y709-R788 HydrophobicContact CE2-CB 3.95Å; Y709-L791 HydrophobicContact CD2-CD1 3.53Å; Y709-L791 HydrophobicContact CE2-CD1 3.62Å
710	G	97.6	Very high	98	Very high	58 Å²	58	20.5 Å²	20.5	60%	0.598	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	25.9	-178	0	0	0	0	0	113.7	R706 S707	R706-G710 PolarHBondContact O-N 3.49Å; S707-G710 PolarHBondContact O-N 3.35Å
711	L	98.4	Very high	98	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.042	12%	0.121	C	C	.	.			trans	-84.5	145.8	179.6	-63.1	170.9	0	0	0	111	R706 Y709 V717 W748 I775 L791	R706-L711 HydrophobicContact CB-CB 3.8Å; R706-L711 HydrophobicContact CG-CB 3.96Å; R706-L711 HydrophobicContact CG-CD1 4.2Å; R706-L711 PolarHBondContact O-N 3.4Å; Y709-L711 PolarHBondContact O-N 2.96Å; L711-V717 HydrophobicContact CB-CG2 4.47Å; L711-V717 HydrophobicContact CD1-CG1 4.4Å; L711-V717 HydrophobicContact CD2-CG1 4.19Å; L711-V717 HydrophobicContact CD2-CG2 4.43Å; L711-W748 HydrophobicContact CD1-CD2 3.88Å; L711-W748 HydrophobicContact CD1-CE3 3.61Å; L711-W748 HydrophobicContact CD1-CH2 3.86Å; L711-W748 HydrophobicContact CD1-CZ2 4.11Å; L711-W748 HydrophobicContact CD1-CZ3 3.61Å; L711-W748 HydrophobicContact CD2-CB 4.12Å; L711-W748 HydrophobicContact CD2-CD2 3.85Å; L711-W748 HydrophobicContact CD2-CE3 4.3Å; L711-W748 HydrophobicContact CD2-CG 3.76Å; L711-W748 HydrophobicContact CG-CD2 4.38Å; L711-I775 HydrophobicContact CD2-CB 4.46Å; L711-I775 HydrophobicContact CD2-CD1 3.96Å; L711-I775 HydrophobicContact CD2-CG2 4.23Å; L711-L791 HydrophobicContact CD1-CB 4.45Å
712	P	97.3	Very high	98	Very high	33 Å²	33	19.6 Å²	19.6	21%	0.214	12%	0.121	C	C	.	.			trans	-67.7	138.2	176.9	28.2	-35.9	0	0	0	112.2	R706 A715 V717 V746	R706-P712 WeakPolarHBondContact CD-O 3.45Å; R706-P712 PolarHBondContact NH1-O 2.92Å; P712-A715 HydrophobicContact CB-CB 3.82Å; P712-A715 HydrophobicContact CG-CB 3.62Å; P712-V717 HydrophobicContact CG-CG2 4.46Å; P712-V746 HydrophobicContact CG-CB 4.5Å; P712-V746 HydrophobicContact CG-CG1 3.94Å; P712-V746 HydrophobicContact CG-CG2 3.7Å
713	E	95.1	Very high	97.9	Very high	62 Å²	62	23.3 Å²	23.3	29%	0.29	14%	0.138	S	C	.	.	S	Bend	trans	-78.1	-22.7	179.4	-63.8	-62.2	164	0	0	112.9	R607 R706 S707	R607-E713 PolarHBondContact NE-O 3.06Å; R607-E713 PolarHBondContact NH2-O 3.23Å; R706-E713 WeakPolarHBondContact CB-OE1 3.4Å; S707-E713 PolarHBondContact N-OE1 2.91Å
714	D	94.5	Very high	97.9	Very high	111 Å²	111	23.4 Å²	23.4	59%	0.594	14%	0.139	S	C	*	.	S	Bend	trans	-117.2	11.5	-170.3	64.4	-23.4	0	0	0	114	N744	D714-N744 PolarHBondContact O-ND2 3.21Å
715	A	96.9	Very high	97.8	Very high	5 Å²	5	25 Å²	25	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	-119.9	163.2	-179.4	0	0	0	0	0	112.7	R607 R706 P712 N744	R607-A715 PolarHBondContact NH2-O 2.91Å; R706-A715 PolarHBondContact NH1-O 3.28Å; P712-A715 HydrophobicContact CB-CB 3.82Å; P712-A715 HydrophobicContact CG-CB 3.62Å; A715-N744 WeakPolarHBondContact CB-O 3.22Å; A715-N744 VanDerWaalsContact CB-OD1 3.29Å; A715-N744 WeakPolarHBondContact CB-OD1 3.3Å
716	I	98.8	Very high	97.8	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.062	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.9	168.9	-63.7	-63.6	0	0	0	109.8	Y718 N744 S745 V746 D793 G858 L861 L864	I716-Y718 HydrophobicContact CG2-CD2 4.01Å; I716-Y718 HydrophobicContact CG2-CE1 4.32Å; I716-Y718 HydrophobicContact CG2-CE2 3.65Å; I716-Y718 HydrophobicContact CG2-CG 4.5Å; I716-N744 PolarHBondContact N-O 3.34Å; I716-S745 CarbonylContact O-C 3.45Å; I716-S745 WeakPolarHBondContact O-CA 3.34Å; I716-S745 WeakPolarHBondContact O-CB 3.32Å; I716-V746 PolarHBondContact O-N 3.32Å; I716-D793 WeakPolarHBondContact CA-OD2 3.43Å; I716-D793 HydrophobicContact CD1-CB 4.39Å; I716-D793 HydrophobicContact CG2-CB 4.08Å; I716-G858 WeakPolarHBondContact CG1-O 3.22Å; I716-L861 HydrophobicContact CD1-CD2 3.95Å; I716-L864 HydrophobicContact CD1-CD2 4.01Å
717	V	98.9	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	104.1	174.4	177.1	0	0	0	0	108.6	L711 P712 V746 W748 A792 D793 V794	L711-V717 HydrophobicContact CB-CG2 4.47Å; L711-V717 HydrophobicContact CD1-CG1 4.4Å; L711-V717 HydrophobicContact CD2-CG1 4.19Å; L711-V717 HydrophobicContact CD2-CG2 4.43Å; P712-V717 HydrophobicContact CG-CG2 4.46Å; V717-V746 HydrophobicContact CB-CG2 4.38Å; V717-V746 HydrophobicContact CG1-CG2 4.46Å; V717-V746 HydrophobicContact CG2-CG2 3.78Å; V717-W748 HydrophobicContact CG1-CB 3.96Å; V717-W748 HydrophobicContact CG1-CE3 4.15Å; V717-A792 HydrophobicContact CG1-CB 4.37Å; V717-D793 PolarHBondContact N-OD2 2.95Å; V717-D793 PolarHBondContact O-N 3.29Å; V717-V794 PolarHBondContact O-N 2.86Å
718	Y	98.9	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	141.3	162.4	-65.3	-76.1	0	0	0	109	I716 I738 L739 V746 L747 W748 V794 L796 A854 G858	I716-Y718 HydrophobicContact CG2-CD2 4.01Å; I716-Y718 HydrophobicContact CG2-CE1 4.32Å; I716-Y718 HydrophobicContact CG2-CE2 3.65Å; I716-Y718 HydrophobicContact CG2-CG 4.5Å; Y718-I738 HydrophobicContact CD2-CG2 4.44Å; Y718-I738 HydrophobicContact CE1-CG2 4.25Å; Y718-I738 HydrophobicContact CE2-CG2 3.85Å; Y718-L739 HydrophobicContact CD2-CD2 4.1Å; Y718-V746 PolarHBondContact N-O 3.02Å; Y718-L747 CarbonylContact O-C 3.53Å; Y718-L747 WeakPolarHBondContact O-CA 3.25Å; Y718-W748 PolarHBondContact O-N 2.89Å; Y718-V794 CarbonylContact C-O 3.59Å; Y718-V794 WeakPolarHBondContact CA-O 3.34Å; Y718-V794 HydrophobicContact CD1-CB 3.76Å; Y718-V794 HydrophobicContact CD1-CG1 4.11Å; Y718-V794 HydrophobicContact CE1-CB 3.93Å; Y718-V794 HydrophobicContact CE1-CG1 4.2Å; Y718-V794 HydrophobicContact CE1-CG2 4.24Å; Y718-L796 HydrophobicContact CD1-CD1 3.83Å; Y718-L796 HydrophobicContact CD1-CD2 3.78Å; Y718-L796 HydrophobicContact CD1-CG 3.71Å; Y718-L796 HydrophobicContact CE1-CD2 4.2Å; Y718-L796 HydrophobicContact CG-CD1 3.89Å; Y718-L796 HydrophobicContact CG-CG 4.15Å; Y718-A854 HydrophobicContact CE1-CB 4.32Å; Y718-A854 PolarHBondContact OH-O 3.23Å; Y718-G858 VanDerWaalsContact OH-CA 3.28Å; Y718-G858 WeakPolarHBondContact OH-CA 3.38Å
719	C	98.9	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.3	175.2	72.2	0	0	0	0	113.4	F721 W748 A792 V794 C795 L796	C719-F721 HydrophobicContact CB-CD1 4.45Å; C719-F721 HydrophobicContact CB-CE1 3.8Å; C719-F721 HydrophobicContact CB-CE2 4.3Å; C719-F721 HydrophobicContact CB-CZ 3.71Å; C719-W748 VanDerWaalsContact CA-O 3.3Å; C719-W748 WeakPolarHBondContact CA-O 3.49Å; C719-W748 HydrophobicContact CB-CB 4.28Å; C719-W748 HydrophobicContact CB-CE3 4.4Å; C719-A792 HydrophobicContact CB-CB 3.87Å; C719-A792 VanDerWaalsContact SG-CB 3.5Å; C719-V794 PolarHBondContact N-O 3.49Å; C719-C795 CarbonylContact O-C 3.5Å; C719-C795 VanDerWaalsContact O-CA 3.27Å; C719-C795 WeakPolarHBondContact O-CA 3.38Å; C719-C795 PolarHBondContact O-SG 2.68Å; C719-C795 VanDerWaalsContact O-SG 3.33Å; C719-L796 PolarHBondContact O-N 2.8Å
720	N	98.9	Very high	97.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	121.8	159.5	-175.2	-55.9	0	0	0	108.2	N722 W735 W748 L749 L750 L796	N720-N722 PolarHBondContact ND2-ND2 2.92Å; N720-N722 VanDerWaalsContact OD1-CB 3.24Å; N720-N722 WeakPolarHBondContact OD1-CB 3.43Å; N720-N722 PolarHBondContact OD1-N 3Å; N720-N722 PolarHBondContact OD1-ND2 3.36Å; N720-W735 HydrophobicContact CB-CH2 3.78Å; N720-W735 HydrophobicContact CB-CZ2 4.23Å; N720-W735 HydrophobicContact CB-CZ3 4.48Å; N720-W748 PolarHBondContact N-O 3.32Å; N720-L749 HydrophobicContact CB-CD2 3.87Å; N720-L749 WeakPolarHBondContact O-CA 3.32Å; N720-L750 PolarHBondContact O-N 3.24Å; N720-L796 WeakPolarHBondContact CB-O 3.3Å; N720-L796 PolarHBondContact ND2-O 2.82Å
721	F	98.6	Very high	98	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.031	12%	0.124	C	C	.	.			trans	-109.5	22.3	-177.4	-52.5	-41.9	0	0	0	113.9	C719 W748 L750 H785 T806	C719-F721 HydrophobicContact CB-CD1 4.45Å; C719-F721 HydrophobicContact CB-CE1 3.8Å; C719-F721 HydrophobicContact CB-CE2 4.3Å; C719-F721 HydrophobicContact CB-CZ 3.71Å; F721-W748 AromaticContact CE1-CD2 3.71Å; F721-W748 HydrophobicContact CE1-CD2 3.71Å; F721-W748 AromaticContact CE1-CE3 3.71Å; F721-W748 HydrophobicContact CE1-CE3 3.71Å; F721-W748 HydrophobicContact CE1-CG 4.19Å; F721-W748 HydrophobicContact CE1-CH2 4.49Å; F721-W748 HydrophobicContact CE1-CZ2 4.49Å; F721-W748 HydrophobicContact CE1-CZ3 4.11Å; F721-W748 HydrophobicContact CZ-CD2 4Å; F721-W748 AromaticContact CZ-CE3 3.49Å; F721-W748 HydrophobicContact CZ-CE3 3.49Å; F721-W748 VanDerWaalsContact CZ-CE3 3.49Å; F721-W748 HydrophobicContact CZ-CH2 4.12Å; F721-W748 AromaticContact CZ-CZ3 3.55Å; F721-W748 HydrophobicContact CZ-CZ3 3.55Å; F721-L750 WeakPolarHBondContact O-CD2 3.31Å; F721-H785 VanDerWaalsContact CB-CE1 3.43Å; F721-H785 WeakPolarHBondContact CB-CE1 3.46Å; F721-T806 HydrophobicContact CB-CG2 3.99Å
722	N	98.1	Very high	98	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-73.6	164.6	170	-70.9	-80.6	0	0	0	110.9	N720 K726 G803	N720-N722 PolarHBondContact ND2-ND2 2.92Å; N720-N722 VanDerWaalsContact OD1-CB 3.24Å; N720-N722 WeakPolarHBondContact OD1-CB 3.43Å; N720-N722 PolarHBondContact OD1-N 3Å; N720-N722 PolarHBondContact OD1-ND2 3.36Å; N722-K726 HydrophobicContact CB-CB 4.5Å; N722-K726 HydrophobicContact CB-CD 3.99Å; N722-K726 PolarHBondContact OD1-NZ 3.13Å; N722-G803 VanDerWaalsContact OD1-CA 3.26Å; N722-G803 WeakPolarHBondContact OD1-CA 3.11Å
723	Q	97.2	Very high	98.1	Very high	81 Å²	81	24.8 Å²	24.8	38%	0.379	13%	0.129	S	C	.	.			trans	-63.7	145.9	163.2	-46.1	-162.9	5.3	0	0	110	Y725 K726 F752	Q723-Y725 HydrophobicContact CB-CD1 3.56Å; Q723-Y725 HydrophobicContact CB-CE1 3.6Å; Q723-Y725 HydrophobicContact CG-CD1 4.37Å; Q723-Y725 HydrophobicContact CG-CE1 3.96Å; Q723-Y725 PolarHBondContact O-N 3.12Å; Q723-Y725 VanDerWaalsContact O-N 3.12Å; Q723-Y725 VanDerWaalsContact OE1-CE1 3.26Å; Q723-K726 PolarHBondContact O-N 3.37Å; Q723-F752 HydrophobicContact CB-CD1 4.24Å; Q723-F752 VanDerWaalsContact CD-CE1 3.47Å; Q723-F752 HydrophobicContact CG-CD1 3.73Å; Q723-F752 HydrophobicContact CG-CE1 4.04Å
724	L	98.1	Very high	98.3	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.4	-171.1	-63	178.7	0	0	0	114	K726 I727 L750 F752 F776	L724-K726 PolarHBondContact O-N 3.48Å; L724-I727 HydrophobicContact CD2-CD1 3.74Å; L724-I727 WeakPolarHBondContact O-CB 3.32Å; L724-I727 PolarHBondContact O-N 2.73Å; L724-L750 WeakPolarHBondContact CD2-O 3.47Å; L724-F752 WeakPolarHBondContact CG-O 3.19Å; L724-F752 PolarHBondContact N-O 3.16Å; L724-F776 HydrophobicContact CD1-CE1 4.35Å; L724-F776 HydrophobicContact CD2-CE1 4.19Å
725	Y	97.5	Very high	98.5	Very high	33 Å²	33	16.7 Å²	16.7	13%	0.129	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-60.5	-17.9	178.6	78.2	-106.5	0	0	0	113.9	Q348 L386 Q723 I727	Q348-Y725 PolarHBondContact NE2-O 3.07Å; L386-Y725 HydrophobicContact CD1-CD2 3.68Å; L386-Y725 HydrophobicContact CD1-CE2 4.05Å; L386-Y725 HydrophobicContact CD2-CD2 4Å; L386-Y725 HydrophobicContact CD2-CE2 4.04Å; Q723-Y725 HydrophobicContact CB-CD1 3.56Å; Q723-Y725 HydrophobicContact CB-CE1 3.6Å; Q723-Y725 HydrophobicContact CG-CD1 4.37Å; Q723-Y725 HydrophobicContact CG-CE1 3.96Å; Q723-Y725 PolarHBondContact O-N 3.12Å; Q723-Y725 VanDerWaalsContact O-N 3.12Å; Q723-Y725 VanDerWaalsContact OE1-CE1 3.26Å; Y725-I727 VanDerWaalsContact C-N 3.28Å
726	K	98.6	Very high	98.6	Very high	16 Å²	16	16.5 Å²	16.5	7%	0.07	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-81.5	-7.7	176.6	-60.6	-167.8	-173.9	179.2	0	113.3	N722 Q723 L724 T798 C801 N802	N722-K726 HydrophobicContact CB-CB 4.5Å; N722-K726 HydrophobicContact CB-CD 3.99Å; N722-K726 PolarHBondContact OD1-NZ 3.13Å; Q723-K726 PolarHBondContact O-N 3.37Å; L724-K726 PolarHBondContact O-N 3.48Å; K726-T798 HydrophobicContact CB-CG2 4.06Å; K726-T798 WeakPolarHBondContact O-CB 3.35Å; K726-T798 WeakPolarHBondContact O-CG2 3.3Å; K726-C801 HydrophobicContact CB-CB 4.5Å; K726-C801 HydrophobicContact CD-CB 4.1Å; K726-C801 WeakPolarHBondContact CD-O 3.35Å; K726-C801 HydrophobicContact CG-CB 4.15Å; K726-N802 PolarHBondContact NZ-O 3.35Å
727	I	98.7	Very high	98.6	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.094	C	C	.	.			trans	-92.1	131.9	176	-52.7	168.2	0	0	0	108.3	Q348 W353 L724 Y725 T731 L732 W735 I760 T798	Q348-I727 PolarHBondContact NE2-O 3.27Å; W353-I727 HydrophobicContact CH2-CG2 3.9Å; W353-I727 HydrophobicContact CZ2-CB 4.47Å; W353-I727 HydrophobicContact CZ2-CG2 4.07Å; W353-I727 WeakPolarHBondContact CZ2-O 3.48Å; L724-I727 HydrophobicContact CD2-CD1 3.74Å; L724-I727 WeakPolarHBondContact O-CB 3.32Å; L724-I727 PolarHBondContact O-N 2.73Å; Y725-I727 VanDerWaalsContact C-N 3.28Å; I727-T731 HydrophobicContact CG2-CG2 4.32Å; I727-L732 HydrophobicContact CG2-CB 4.25Å; I727-W735 HydrophobicContact CD1-CH2 4.01Å; I727-W735 HydrophobicContact CD1-CZ3 3.7Å; I727-W735 HydrophobicContact CG1-CH2 3.87Å; I727-W735 HydrophobicContact CG1-CZ3 3.95Å; I727-W735 HydrophobicContact CG2-CZ3 4.27Å; I727-I760 HydrophobicContact CG2-CD1 4.3Å; I727-T798 HydrophobicContact CG1-CG2 3.92Å
728	D	98.5	Very high	98.6	Very high	19 Å²	19	18 Å²	18	10%	0.102	9%	0.094	C	C	.	.			trans	-117.7	171.9	170.8	80.5	-39.7	0	0	0	110.3	S730 T731 L732 L800	D728-S730 PolarHBondContact O-N 3.49Å; D728-S730 VanDerWaalsContact OD2-CB 3.29Å; D728-S730 WeakPolarHBondContact OD2-CB 3.26Å; D728-S730 PolarHBondContact OD2-N 3.4Å; D728-S730 PolarHBondContact OD2-OG 3.24Å; D728-T731 PolarHBondContact O-N 2.55Å; D728-T731 VanDerWaalsContact O-N 3.16Å; D728-T731 WeakPolarHBondContact OD1-CB 3.43Å; D728-T731 PolarHBondContact OD1-N 3.46Å; D728-T731 PolarHBondContact OD1-OG1 3.45Å; D728-L732 PolarHBondContact O-N 2.94Å; D728-L732 VanDerWaalsContact O-N 3.11Å; D728-L800 HydrophobicContact CB-CD2 4.16Å
729	P	98.6	Very high	98.6	Very high	35 Å²	35	18.1 Å²	18.1	23%	0.227	10%	0.095	C	C	.	.	H	α-helix	trans	-53.3	-40.1	177.6	-27.7	35.2	0	0	0	113.2	W353 Y356 L732 Q733	W353-P729 HydrophobicContact CB-CG 4.02Å; W353-P729 HydrophobicContact CD2-CG 3.69Å; W353-P729 HydrophobicContact CE3-CB 4.25Å; W353-P729 HydrophobicContact CE3-CG 3.87Å; W353-P729 HydrophobicContact CG-CG 3.77Å; Y356-P729 HydrophobicContact CD1-CG 4.1Å; Y356-P729 HydrophobicContact CD2-CG 4.12Å; Y356-P729 HydrophobicContact CE1-CG 4.37Å; Y356-P729 HydrophobicContact CE2-CG 4.37Å; Y356-P729 HydrophobicContact CG-CG 3.98Å; P729-L732 PolarHBondContact O-N 3.48Å; P729-Q733 WeakPolarHBondContact O-CB 3.5Å; P729-Q733 PolarHBondContact O-N 3Å
730	S	98.5	Very high	98.6	Very high	53 Å²	53	22.8 Å²	22.8	37%	0.371	12%	0.115	S	C	.	.	H	α-helix	trans	-63.9	-42.9	-179.8	-51.1	0	0	0	0	111.9	D728 Q733 M734	D728-S730 PolarHBondContact O-N 3.49Å; D728-S730 VanDerWaalsContact OD2-CB 3.29Å; D728-S730 WeakPolarHBondContact OD2-CB 3.26Å; D728-S730 PolarHBondContact OD2-N 3.4Å; D728-S730 PolarHBondContact OD2-OG 3.24Å; S730-Q733 PolarHBondContact O-N 3.41Å; S730-M734 WeakPolarHBondContact O-CG 3.32Å; S730-M734 PolarHBondContact O-N 2.94Å; S730-M734 VanDerWaalsContact O-N 3.12Å
731	T	98.9	Very high	98.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-47.6	178.8	-59.9	0	0	0	0	111.2	I727 D728 Q733 M734 W735 T798	I727-T731 HydrophobicContact CG2-CG2 4.32Å; D728-T731 PolarHBondContact O-N 2.55Å; D728-T731 VanDerWaalsContact O-N 3.16Å; D728-T731 WeakPolarHBondContact OD1-CB 3.43Å; D728-T731 PolarHBondContact OD1-N 3.46Å; D728-T731 PolarHBondContact OD1-OG1 3.45Å; T731-Q733 VanDerWaalsContact C-N 3.27Å; T731-Q733 PolarHBondContact O-N 3.33Å; T731-M734 PolarHBondContact O-N 2.87Å; T731-W735 HydrophobicContact CG2-CD2 3.99Å; T731-W735 VanDerWaalsContact CG2-CE2 3.43Å; T731-W735 HydrophobicContact CG2-CE3 4.39Å; T731-W735 HydrophobicContact CG2-CH2 3.92Å; T731-W735 HydrophobicContact CG2-CZ2 3.41Å; T731-W735 VanDerWaalsContact CG2-CZ2 3.41Å; T731-W735 HydrophobicContact CG2-CZ3 4.38Å; T731-W735 PolarHBondContact O-N 2.89Å; T731-W735 VanDerWaalsContact O-N 3.09Å; T731-T798 HydrophobicContact CG2-CG2 4.17Å
732	L	98.8	Very high	98.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-36	178.4	-172.5	65.3	0	0	0	111.5	W353 I727 D728 P729 W735 A736 I760 M767 I774	W353-L732 HydrophobicContact CH2-CB 3.93Å; W353-L732 HydrophobicContact CH2-CD2 3.94Å; W353-L732 HydrophobicContact CZ3-CB 4.03Å; W353-L732 HydrophobicContact CZ3-CD2 3.61Å; W353-L732 HydrophobicContact CZ3-CG 4.47Å; I727-L732 HydrophobicContact CG2-CB 4.25Å; D728-L732 PolarHBondContact O-N 2.94Å; D728-L732 VanDerWaalsContact O-N 3.11Å; P729-L732 PolarHBondContact O-N 3.48Å; L732-W735 HydrophobicContact CD1-CE3 4.34Å; L732-W735 PolarHBondContact O-N 3.24Å; L732-A736 WeakPolarHBondContact O-CB 3.4Å; L732-A736 PolarHBondContact O-N 3.25Å; L732-I760 HydrophobicContact CD1-CG2 4.2Å; L732-I760 HydrophobicContact CD2-CD1 4.26Å; L732-I760 HydrophobicContact CD2-CG2 4.44Å; L732-M767 HydrophobicContact CB-CE 4.34Å; L732-M767 HydrophobicContact CD2-CE 4.3Å; L732-M767 HydrophobicContact CD2-SD 4.28Å; L732-M767 HydrophobicContact CG-CE 4.33Å; L732-M767 HydrophobicContact CG-SD 4.05Å; L732-I774 HydrophobicContact CD1-CD1 4.41Å
733	Q	98.9	Very high	98.5	Very high	74 Å²	74	32 Å²	32	35%	0.346	16%	0.163	S	C	.	.	H	α-helix	trans	-61.3	-45.7	175.6	-175.3	61.3	68.7	0	0	112.2	P729 S730 T731 W735 A736 N737 M767	P729-Q733 WeakPolarHBondContact O-CB 3.5Å; P729-Q733 PolarHBondContact O-N 3Å; S730-Q733 PolarHBondContact O-N 3.41Å; T731-Q733 VanDerWaalsContact C-N 3.27Å; T731-Q733 PolarHBondContact O-N 3.33Å; Q733-W735 VanDerWaalsContact C-N 3.34Å; Q733-W735 PolarHBondContact O-N 2.96Å; Q733-A736 PolarHBondContact O-N 3.36Å; Q733-N737 PolarHBondContact NE2-OD1 3.17Å; Q733-N737 PolarHBondContact O-N 3.36Å; Q733-N737 PolarHBondContact O-ND2 3.47Å; Q733-N737 PolarHBondContact O-OD1 3.43Å; Q733-M767 HydrophobicContact CB-CE 4.09Å; Q733-M767 HydrophobicContact CB-SD 4.35Å
734	M	98.9	Very high	98.5	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-44.7	175.6	-67.2	-171.1	-61.8	0	0	111.4	S730 T731 A736 N737 I738 P799 R847 Y850 E851	S730-M734 WeakPolarHBondContact O-CG 3.32Å; S730-M734 PolarHBondContact O-N 2.94Å; S730-M734 VanDerWaalsContact O-N 3.12Å; T731-M734 PolarHBondContact O-N 2.87Å; M734-A736 VanDerWaalsContact C-N 3.29Å; M734-A736 PolarHBondContact O-N 3.23Å; M734-N737 WeakPolarHBondContact O-CB 3.47Å; M734-N737 PolarHBondContact O-N 3.26Å; M734-N737 VanDerWaalsContact O-N 3.17Å; M734-I738 WeakPolarHBondContact O-CG1 3.38Å; M734-I738 PolarHBondContact O-N 3.02Å; M734-P799 HydrophobicContact CE-CG 3.71Å; M734-R847 HydrophobicContact CG-CB 4.3Å; M734-R847 HydrophobicContact CG-CG 4.38Å; M734-R847 HydrophobicContact SD-CB 3.63Å; M734-R847 HydrophobicContact SD-CG 3.51Å; M734-R847 VanDerWaalsContact SD-CG 3.51Å; M734-Y850 HydrophobicContact CE-CD1 4.22Å; M734-Y850 HydrophobicContact CE-CE1 4.35Å; M734-Y850 HydrophobicContact SD-CD1 4.02Å; M734-Y850 HydrophobicContact SD-CG 4.35Å; M734-E851 HydrophobicContact CB-CG 4.18Å; M734-E851 HydrophobicContact CG-CG 4.47Å
735	W	98.9	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-36.9	178.5	-62.5	-7.3	0	0	0	111.6	N720 I727 T731 L732 Q733 I738 L739 L747 L749 L796 T798 Y850	N720-W735 HydrophobicContact CB-CH2 3.78Å; N720-W735 HydrophobicContact CB-CZ2 4.23Å; N720-W735 HydrophobicContact CB-CZ3 4.48Å; I727-W735 HydrophobicContact CD1-CH2 4.01Å; I727-W735 HydrophobicContact CD1-CZ3 3.7Å; I727-W735 HydrophobicContact CG1-CH2 3.87Å; I727-W735 HydrophobicContact CG1-CZ3 3.95Å; I727-W735 HydrophobicContact CG2-CZ3 4.27Å; T731-W735 HydrophobicContact CG2-CD2 3.99Å; T731-W735 VanDerWaalsContact CG2-CE2 3.43Å; T731-W735 HydrophobicContact CG2-CE3 4.39Å; T731-W735 HydrophobicContact CG2-CH2 3.92Å; T731-W735 HydrophobicContact CG2-CZ2 3.41Å; T731-W735 VanDerWaalsContact CG2-CZ2 3.41Å; T731-W735 HydrophobicContact CG2-CZ3 4.38Å; T731-W735 PolarHBondContact O-N 2.89Å; T731-W735 VanDerWaalsContact O-N 3.09Å; L732-W735 HydrophobicContact CD1-CE3 4.34Å; L732-W735 PolarHBondContact O-N 3.24Å; Q733-W735 VanDerWaalsContact C-N 3.34Å; Q733-W735 PolarHBondContact O-N 2.96Å; W735-I738 PolarHBondContact O-N 3.34Å; W735-L739 WeakPolarHBondContact O-CB 3.42Å; W735-L739 VanDerWaalsContact O-CG 3.3Å; W735-L739 WeakPolarHBondContact O-CG 3.41Å; W735-L739 PolarHBondContact O-N 3.01Å; W735-L747 HydrophobicContact CB-CD2 4.23Å; W735-L747 HydrophobicContact CD2-CD2 4.18Å; W735-L747 HydrophobicContact CE3-CD1 4.47Å; W735-L747 HydrophobicContact CE3-CD2 3.52Å; W735-L747 HydrophobicContact CZ3-CD2 4.17Å; W735-L749 HydrophobicContact CH2-CD2 4.43Å; W735-L749 HydrophobicContact CZ3-CD2 3.86Å; W735-L796 HydrophobicContact CG-CD1 4.11Å; W735-L796 HydrophobicContact CZ2-CB 4.35Å; W735-L796 WeakPolarHBondContact CZ2-O 3.47Å; W735-T798 HydrophobicContact CH2-CG2 3.87Å; W735-T798 HydrophobicContact CZ2-CG2 3.95Å; W735-Y850 PolarHBondContact NE1-OH 3.46Å
736	A	98.9	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-39.3	173.2	0	0	0	0	0	113.1	L732 Q733 M734 L739 K740 M767 L769	L732-A736 WeakPolarHBondContact O-CB 3.4Å; L732-A736 PolarHBondContact O-N 3.25Å; Q733-A736 PolarHBondContact O-N 3.36Å; M734-A736 VanDerWaalsContact C-N 3.29Å; M734-A736 PolarHBondContact O-N 3.23Å; A736-L739 PolarHBondContact O-N 3.35Å; A736-K740 VanDerWaalsContact O-CG 3.31Å; A736-K740 WeakPolarHBondContact O-CG 3.38Å; A736-K740 PolarHBondContact O-N 3.04Å; A736-M767 HydrophobicContact CB-CB 4.1Å; A736-M767 HydrophobicContact CB-SD 4.02Å; A736-L769 HydrophobicContact CB-CD1 3.63Å; A736-L769 HydrophobicContact CB-CG 3.99Å
737	N	98.9	Very high	98.6	Very high	45 Å²	45	30.9 Å²	30.9	24%	0.241	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-44.7	174.4	-64.4	-15	0	0	0	111.4	Q733 M734 K740 R741 E851	Q733-N737 PolarHBondContact NE2-OD1 3.17Å; Q733-N737 PolarHBondContact O-N 3.36Å; Q733-N737 PolarHBondContact O-ND2 3.47Å; Q733-N737 PolarHBondContact O-OD1 3.43Å; M734-N737 WeakPolarHBondContact O-CB 3.47Å; M734-N737 PolarHBondContact O-N 3.26Å; M734-N737 VanDerWaalsContact O-N 3.17Å; N737-K740 PolarHBondContact O-N 3.47Å; N737-R741 WeakPolarHBondContact O-CG 3.38Å; N737-R741 PolarHBondContact O-N 2.93Å; N737-E851 VanDerWaalsContact CB-OE2 3.31Å; N737-E851 WeakPolarHBondContact CB-OE2 3.24Å; N737-E851 PolarHBondContact ND2-OE1 3.37Å
738	I	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.6	-50.6	175.7	-67	160	0	0	0	110.7	Y718 M734 W735 K740 R741 V742 L796 Y850 E851 A854 V855	Y718-I738 HydrophobicContact CD2-CG2 4.44Å; Y718-I738 HydrophobicContact CE1-CG2 4.25Å; Y718-I738 HydrophobicContact CE2-CG2 3.85Å; M734-I738 WeakPolarHBondContact O-CG1 3.38Å; M734-I738 PolarHBondContact O-N 3.02Å; W735-I738 PolarHBondContact O-N 3.34Å; I738-K740 VanDerWaalsContact C-N 3.29Å; I738-K740 PolarHBondContact O-N 3.06Å; I738-R741 CarbonylContact O-C 3.48Å; I738-R741 PolarHBondContact O-N 3.19Å; I738-R741 VanDerWaalsContact O-N 3.11Å; I738-V742 PolarHBondContact O-N 3.2Å; I738-L796 HydrophobicContact CD1-CD1 4.03Å; I738-L796 HydrophobicContact CD1-CD2 4.3Å; I738-Y850 HydrophobicContact CD1-CD1 4.09Å; I738-Y850 HydrophobicContact CD1-CE1 3.81Å; I738-E851 HydrophobicContact CD1-CG 4.36Å; I738-E851 HydrophobicContact CG1-CB 4.06Å; I738-E851 HydrophobicContact CG1-CG 4.04Å; I738-A854 HydrophobicContact CD1-CB 3.56Å; I738-A854 HydrophobicContact CG1-CB 3.93Å; I738-A854 HydrophobicContact CG2-CB 4.02Å; I738-V855 HydrophobicContact CB-CG2 4.39Å; I738-V855 HydrophobicContact CG1-CG2 4.33Å; I738-V855 HydrophobicContact CG2-CG2 4.2Å
739	L	98.8	Very high	98.6	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-30.9	-179.1	-71.1	175.7	0	0	0	112.9	Y718 W735 A736 V742 S745 L747 L769 R773	Y718-L739 HydrophobicContact CD2-CD2 4.1Å; W735-L739 WeakPolarHBondContact O-CB 3.42Å; W735-L739 VanDerWaalsContact O-CG 3.3Å; W735-L739 WeakPolarHBondContact O-CG 3.41Å; W735-L739 PolarHBondContact O-N 3.01Å; A736-L739 PolarHBondContact O-N 3.35Å; L739-V742 CarbonylContact O-C 3.56Å; L739-S745 VanDerWaalsContact CD2-OG 3.32Å; L739-S745 WeakPolarHBondContact CD2-OG 3.41Å; L739-L747 HydrophobicContact CD1-CB 3.85Å; L739-L747 HydrophobicContact CD2-CB 4.25Å; L739-L769 HydrophobicContact CB-CD2 3.76Å; L739-L769 HydrophobicContact CD1-CD1 3.76Å; L739-L769 HydrophobicContact CD1-CD2 4.35Å; L739-R773 PolarHBondContact O-NH1 2.87Å; L739-R773 PolarHBondContact O-NH2 2.89Å
740	K	98.8	Very high	98.6	Very high	98 Å²	98	28.8 Å²	28.8	43%	0.426	15%	0.15	S	C	.	.	H	α-helix	trans	-70.8	-38.8	172.6	-72.9	171.2	-176.5	176.4	0	112.2	A736 N737 I738 V742 M767 L769	A736-K740 VanDerWaalsContact O-CG 3.31Å; A736-K740 WeakPolarHBondContact O-CG 3.38Å; A736-K740 PolarHBondContact O-N 3.04Å; N737-K740 PolarHBondContact O-N 3.47Å; I738-K740 VanDerWaalsContact C-N 3.29Å; I738-K740 PolarHBondContact O-N 3.06Å; K740-V742 VanDerWaalsContact C-N 3.32Å; K740-M767 WeakPolarHBondContact CE-O 3.4Å; K740-M767 PolarHBondContact NZ-O 3.31Å; K740-L769 HydrophobicContact CG-CD2 4.06Å
741	R	98.8	Very high	98.4	Very high	100 Å²	100	30.7 Å²	30.7	38%	0.377	15%	0.149	S	C	.	.	H	α-helix	trans	-76.2	-18.7	179.2	-69	170.5	64.8	-170.9	-1.3	113.1	N737 I738 E851 D852 V855	N737-R741 WeakPolarHBondContact O-CG 3.38Å; N737-R741 PolarHBondContact O-N 2.93Å; I738-R741 CarbonylContact O-C 3.48Å; I738-R741 PolarHBondContact O-N 3.19Å; I738-R741 VanDerWaalsContact O-N 3.11Å; R741-E851 IonicContact NH1-OE2 2.6Å; R741-D852 IonicContact CZ-OD1 2.75Å; R741-D852 VanDerWaalsContact CZ-OD1 3.25Å; R741-D852 IonicContact NH1-OD1 2.66Å; R741-D852 PolarHBondContact NH1-OD1 3.29Å; R741-D852 IonicContact NH2-OD1 3.56Å; R741-D852 PolarHBondContact NH2-OD1 2.96Å; R741-V855 HydrophobicContact CB-CG1 4.11Å; R741-V855 HydrophobicContact CB-CG2 3.65Å; R741-V855 HydrophobicContact CG-CG2 4.47Å
742	V	98.6	Very high	98.2	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.036	17%	0.166	C	C	.	.	S	Bend	trans	-120.2	81.3	172	-168.8	0	0	0	0	109.2	I738 L739 K740 N744 S745 R773 V855 G858 T859	I738-V742 PolarHBondContact O-N 3.2Å; L739-V742 CarbonylContact O-C 3.56Å; K740-V742 VanDerWaalsContact C-N 3.32Å; V742-N744 VanDerWaalsContact C-N 3.3Å; V742-N744 PolarHBondContact O-N 3.38Å; V742-S745 WeakPolarHBondContact O-CB 3.28Å; V742-S745 PolarHBondContact O-N 3.1Å; V742-S745 PolarHBondContact O-OG 3.49Å; V742-R773 PolarHBondContact O-NH2 2.92Å; V742-R773 VanDerWaalsContact O-NH2 3.07Å; V742-V855 HydrophobicContact CG2-CB 4.27Å; V742-V855 HydrophobicContact CG2-CG1 4.11Å; V742-V855 HydrophobicContact CG2-CG2 4.09Å; V742-G858 WeakPolarHBondContact CG1-O 3.09Å; V742-T859 HydrophobicContact CG1-CG2 4.34Å; V742-T859 HydrophobicContact CG2-CG2 3.97Å
743	P	96.9	Very high	98	Very high	100 Å²	100	35.7 Å²	35.7	65%	0.649	17%	0.172	S	C	*	.	S	Bend	trans	-59.2	-37.3	-170.1	-26.8	35.3	0	0	0	114.1	S745 R773	P743-S745 VanDerWaalsContact C-N 3.3Å; P743-S745 PolarHBondContact O-N 3.2Å; P743-R773 PolarHBondContact O-NH2 3.34Å
744	N	97.3	Very high	97.8	Very high	93 Å²	93	34.8 Å²	34.8	50%	0.497	18%	0.178	S	C	.	.	S	Bend	trans	-90.2	61.8	176.9	-168.2	28.5	0	0	0	111.5	D714 A715 I716 V742	D714-N744 PolarHBondContact O-ND2 3.21Å; A715-N744 WeakPolarHBondContact CB-O 3.22Å; A715-N744 VanDerWaalsContact CB-OD1 3.29Å; A715-N744 WeakPolarHBondContact CB-OD1 3.3Å; I716-N744 PolarHBondContact N-O 3.34Å; V742-N744 VanDerWaalsContact C-N 3.3Å; V742-N744 PolarHBondContact O-N 3.38Å
745	S	98.7	Very high	97.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.4	177.1	67.4	0	0	0	0	112.3	I716 L739 V742 P743 R773	I716-S745 CarbonylContact O-C 3.45Å; I716-S745 WeakPolarHBondContact O-CA 3.34Å; I716-S745 WeakPolarHBondContact O-CB 3.32Å; L739-S745 VanDerWaalsContact CD2-OG 3.32Å; L739-S745 WeakPolarHBondContact CD2-OG 3.41Å; V742-S745 WeakPolarHBondContact O-CB 3.28Å; V742-S745 PolarHBondContact O-N 3.1Å; V742-S745 PolarHBondContact O-OG 3.49Å; P743-S745 VanDerWaalsContact C-N 3.3Å; P743-S745 PolarHBondContact O-N 3.2Å; S745-R773 PolarHBondContact O-NE 3.27Å; S745-R773 PolarHBondContact O-NH2 3.24Å; S745-R773 PolarHBondContact OG-NH2 2.99Å
746	V	98.9	Very high	97.6	Very high	12 Å²	12	37.7 Å²	37.7	7%	0.073	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.3	171.5	-64.1	0	0	0	0	110	P712 I716 V717 Y718 R773 I775	P712-V746 HydrophobicContact CG-CB 4.5Å; P712-V746 HydrophobicContact CG-CG1 3.94Å; P712-V746 HydrophobicContact CG-CG2 3.7Å; I716-V746 PolarHBondContact O-N 3.32Å; V717-V746 HydrophobicContact CB-CG2 4.38Å; V717-V746 HydrophobicContact CG1-CG2 4.46Å; V717-V746 HydrophobicContact CG2-CG2 3.78Å; Y718-V746 PolarHBondContact N-O 3.02Å; V746-R773 CarbonylContact C-O 3.57Å; V746-R773 WeakPolarHBondContact CA-O 3.11Å; V746-I775 HydrophobicContact CB-CD1 4.12Å; V746-I775 HydrophobicContact CG1-CD1 4.12Å; V746-I775 HydrophobicContact CG2-CD1 4.03Å
747	L	98.9	Very high	97.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.7	168.8	175.7	67.1	0	0	0	109.5	Y718 W735 L739 L749 R773 I774 I775 L796	Y718-L747 CarbonylContact O-C 3.53Å; Y718-L747 WeakPolarHBondContact O-CA 3.25Å; W735-L747 HydrophobicContact CB-CD2 4.23Å; W735-L747 HydrophobicContact CD2-CD2 4.18Å; W735-L747 HydrophobicContact CE3-CD1 4.47Å; W735-L747 HydrophobicContact CE3-CD2 3.52Å; W735-L747 HydrophobicContact CZ3-CD2 4.17Å; L739-L747 HydrophobicContact CD1-CB 3.85Å; L739-L747 HydrophobicContact CD2-CB 4.25Å; L747-L749 HydrophobicContact CD1-CD2 4.01Å; L747-L749 HydrophobicContact CD2-CD1 4.11Å; L747-L749 HydrophobicContact CD2-CD2 3.97Å; L747-L749 HydrophobicContact CD2-CG 4.09Å; L747-L749 HydrophobicContact CG-CD1 4.49Å; L747-L749 HydrophobicContact CG-CD2 3.83Å; L747-L749 HydrophobicContact CG-CG 3.96Å; L747-R773 PolarHBondContact N-O 3.43Å; L747-I774 HydrophobicContact CB-CG1 4.42Å; L747-I774 HydrophobicContact CD2-CD1 4.48Å; L747-I774 HydrophobicContact CD2-CG1 4.47Å; L747-I774 CarbonylContact O-C 3.53Å; L747-I774 VanDerWaalsContact O-CA 3.31Å; L747-I774 WeakPolarHBondContact O-CA 3.38Å; L747-I775 PolarHBondContact O-N 3.06Å; L747-L796 HydrophobicContact CD1-CD1 4.36Å
748	W	98.8	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.9	-178.2	-172.3	26.3	0	0	0	110.7	Y709 L711 V717 Y718 C719 N720 F721 I775 S777 R788 L791	Y709-W748 HydrophobicContact CD1-CH2 4.29Å; Y709-W748 AromaticContact CD1-CZ2 3.75Å; Y709-W748 HydrophobicContact CD1-CZ2 3.75Å; Y709-W748 HydrophobicContact CD2-CH2 4.03Å; Y709-W748 HydrophobicContact CD2-CZ2 4.18Å; Y709-W748 HydrophobicContact CE1-CZ2 4.45Å; Y709-W748 HydrophobicContact CE2-CH2 4.49Å; Y709-W748 AromaticContact CG-CH2 3.91Å; Y709-W748 HydrophobicContact CG-CH2 3.91Å; Y709-W748 AromaticContact CG-CZ2 3.58Å; Y709-W748 HydrophobicContact CG-CZ2 3.58Å; L711-W748 HydrophobicContact CD1-CD2 3.88Å; L711-W748 HydrophobicContact CD1-CE3 3.61Å; L711-W748 HydrophobicContact CD1-CH2 3.86Å; L711-W748 HydrophobicContact CD1-CZ2 4.11Å; L711-W748 HydrophobicContact CD1-CZ3 3.61Å; L711-W748 HydrophobicContact CD2-CB 4.12Å; L711-W748 HydrophobicContact CD2-CD2 3.85Å; L711-W748 HydrophobicContact CD2-CE3 4.3Å; L711-W748 HydrophobicContact CD2-CG 3.76Å; L711-W748 HydrophobicContact CG-CD2 4.38Å; V717-W748 HydrophobicContact CG1-CB 3.96Å; V717-W748 HydrophobicContact CG1-CE3 4.15Å; Y718-W748 PolarHBondContact O-N 2.89Å; C719-W748 VanDerWaalsContact CA-O 3.3Å; C719-W748 WeakPolarHBondContact CA-O 3.49Å; C719-W748 HydrophobicContact CB-CB 4.28Å; C719-W748 HydrophobicContact CB-CE3 4.4Å; N720-W748 PolarHBondContact N-O 3.32Å; F721-W748 AromaticContact CE1-CD2 3.71Å; F721-W748 HydrophobicContact CE1-CD2 3.71Å; F721-W748 AromaticContact CE1-CE3 3.71Å; F721-W748 HydrophobicContact CE1-CE3 3.71Å; F721-W748 HydrophobicContact CE1-CG 4.19Å; F721-W748 HydrophobicContact CE1-CH2 4.49Å; F721-W748 HydrophobicContact CE1-CZ2 4.49Å; F721-W748 HydrophobicContact CE1-CZ3 4.11Å; F721-W748 HydrophobicContact CZ-CD2 4Å; F721-W748 AromaticContact CZ-CE3 3.49Å; F721-W748 HydrophobicContact CZ-CE3 3.49Å; F721-W748 VanDerWaalsContact CZ-CE3 3.49Å; F721-W748 HydrophobicContact CZ-CH2 4.12Å; F721-W748 AromaticContact CZ-CZ3 3.55Å; F721-W748 HydrophobicContact CZ-CZ3 3.55Å; W748-I775 CarbonylContact C-O 3.59Å; W748-I775 WeakPolarHBondContact CA-O 3.34Å; W748-S777 PolarHBondContact NE1-OG 3.33Å; W748-R788 HydrophobicContact CH2-CB 4Å; W748-R788 HydrophobicContact CH2-CG 3.78Å; W748-R788 HydrophobicContact CZ2-CG 4.5Å; W748-R788 HydrophobicContact CZ3-CG 4.44Å; W748-L791 HydrophobicContact CH2-CD1 4.48Å; W748-L791 HydrophobicContact CZ3-CB 4.34Å
749	L	98.7	Very high	97.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.2	-175.2	-62.3	-176.5	0	0	0	112.6	N720 W735 L747 I760 I774 I775 F776 S777	N720-L749 HydrophobicContact CB-CD2 3.87Å; N720-L749 WeakPolarHBondContact O-CA 3.32Å; W735-L749 HydrophobicContact CH2-CD2 4.43Å; W735-L749 HydrophobicContact CZ3-CD2 3.86Å; L747-L749 HydrophobicContact CD1-CD2 4.01Å; L747-L749 HydrophobicContact CD2-CD1 4.11Å; L747-L749 HydrophobicContact CD2-CD2 3.97Å; L747-L749 HydrophobicContact CD2-CG 4.09Å; L747-L749 HydrophobicContact CG-CD1 4.49Å; L747-L749 HydrophobicContact CG-CD2 3.83Å; L747-L749 HydrophobicContact CG-CG 3.96Å; L749-I760 HydrophobicContact CD1-CG2 4.05Å; L749-I774 HydrophobicContact CD1-CG2 3.77Å; L749-I774 HydrophobicContact CG-CG2 4.1Å; L749-I775 PolarHBondContact N-O 3.16Å; L749-F776 HydrophobicContact CB-CD1 3.87Å; L749-F776 HydrophobicContact CB-CE1 3.65Å; L749-F776 HydrophobicContact CB-CZ 4.11Å; L749-F776 HydrophobicContact CD1-CE1 4.07Å; L749-F776 HydrophobicContact CD1-CE2 4.49Å; L749-F776 HydrophobicContact CD1-CZ 3.79Å; L749-F776 HydrophobicContact CG-CE1 4.5Å; L749-F776 WeakPolarHBondContact O-CA 3.38Å; L749-S777 PolarHBondContact O-N 3.07Å; L749-S777 VanDerWaalsContact O-N 3.08Å
750	L	96.9	Very high	97.4	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.058	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.5	169	-175.7	68	0	0	0	110.4	N720 F721 L724 F752 V779	N720-L750 PolarHBondContact O-N 3.24Å; F721-L750 WeakPolarHBondContact O-CD2 3.31Å; L724-L750 WeakPolarHBondContact CD2-O 3.47Å; L750-F752 HydrophobicContact CD2-CB 3.85Å; L750-F752 HydrophobicContact CG-CB 3.83Å; L750-F752 PolarHBondContact O-N 3.06Å; L750-V779 HydrophobicContact CD1-CB 4.46Å; L750-V779 HydrophobicContact CD1-CG2 4.06Å; L750-V779 HydrophobicContact CD2-CG2 4.49Å; L750-V779 HydrophobicContact CG-CG2 4.4Å
751	R	95.9	Very high	97.4	Very high	93 Å²	93	39.8 Å²	39.8	35%	0.351	21%	0.214	S	C	.	.			trans	-76.6	71.4	172.7	-174.4	-178.7	-72.6	179.2	-12.8	110.4	A754 E757 F776 S777	R751-A754 HydrophobicContact CG-CB 3.78Å; R751-E757 WeakPolarHBondContact CD-OE2 3.48Å; R751-E757 IonicContact CZ-OE1 3.09Å; R751-E757 IonicContact CZ-OE2 3.35Å; R751-E757 IonicContact NE-OE2 2.83Å; R751-E757 PolarHBondContact NE-OE2 3.11Å; R751-E757 IonicContact NH2-OE1 2.84Å; R751-E757 PolarHBondContact NH2-OE1 3Å; R751-E757 IonicContact NH2-OE2 3.26Å; R751-E757 PolarHBondContact NH2-OE2 2.66Å; R751-F776 HydrophobicContact CB-CB 4.25Å; R751-F776 HydrophobicContact CB-CD1 4.19Å; R751-S777 VanDerWaalsContact CB-O 3.3Å; R751-S777 WeakPolarHBondContact CB-O 3.36Å; R751-S777 PolarHBondContact N-O 2.87Å
752	F	94.8	Very high	97.4	Very high	86 Å²	86	39.5 Å²	39.5	38%	0.377	22%	0.217	S	C	.	.	S	Bend	trans	-150.1	111.8	-179.5	-166.9	-121.6	0	0	0	114.8	Q723 L724 L750 V779	Q723-F752 HydrophobicContact CB-CD1 4.24Å; Q723-F752 VanDerWaalsContact CD-CE1 3.47Å; Q723-F752 HydrophobicContact CG-CD1 3.73Å; Q723-F752 HydrophobicContact CG-CE1 4.04Å; L724-F752 WeakPolarHBondContact CG-O 3.19Å; L724-F752 PolarHBondContact N-O 3.16Å; L750-F752 HydrophobicContact CD2-CB 3.85Å; L750-F752 HydrophobicContact CG-CB 3.83Å; L750-F752 PolarHBondContact O-N 3.06Å; F752-V779 HydrophobicContact CB-CG2 3.68Å; F752-V779 HydrophobicContact CD1-CG2 4.47Å; F752-V779 HydrophobicContact CD2-CG2 3.75Å; F752-V779 HydrophobicContact CG-CG2 3.72Å
753	P	94.6	Very high	97.4	Very high	21 Å²	21	41.4 Å²	41.4	14%	0.136	22%	0.224	C	C	.	.	S	Bend	cis	-73.3	155.1	-6.2	33.3	-36.2	0	0	0	111.8	I349 V755 G756	I349-P753 HydrophobicContact CG2-CG 3.57Å; P753-V755 HydrophobicContact CB-CG2 4.08Å; P753-V755 HydrophobicContact CG-CG2 4.03Å; P753-V755 PolarHBondContact O-N 3.13Å; P753-G756 PolarHBondContact O-N 3.42Å; P753-G756 VanDerWaalsContact O-N 3.11Å
754	A	94.7	Very high	97.5	Very high	56 Å²	56	36.7 Å²	36.7	46%	0.463	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-59.7	-30.5	-177.3	0	0	0	0	0	113.8	R751 G756 E757	R751-A754 HydrophobicContact CG-CB 3.78Å; A754-G756 PolarHBondContact O-N 3.38Å; A754-E757 PolarHBondContact O-N 3.46Å
755	V	95.8	Very high	97.5	Very high	65 Å²	65	35.6 Å²	35.6	39%	0.394	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-66.4	-14.5	179.4	-63.6	0	0	0	0	113.9	P320 V350 P753	P320-V755 HydrophobicContact CG-CB 4.45Å; P320-V755 HydrophobicContact CG-CG1 3.87Å; P320-V755 HydrophobicContact CG-CG2 4.48Å; V350-V755 HydrophobicContact CB-CG2 4.31Å; V350-V755 HydrophobicContact CG1-CG2 3.56Å; P753-V755 HydrophobicContact CB-CG2 4.08Å; P753-V755 HydrophobicContact CG-CG2 4.03Å; P753-V755 PolarHBondContact O-N 3.13Å
756	G	96.9	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-83.6	-18.7	176.2	0	0	0	0	0	114.7	V350 P753 A754 N759 I760	V350-G756 WeakPolarHBondContact O-CA 3.32Å; P753-G756 PolarHBondContact O-N 3.42Å; P753-G756 VanDerWaalsContact O-N 3.11Å; A754-G756 PolarHBondContact O-N 3.38Å; G756-N759 PolarHBondContact O-N 3.07Å; G756-I760 PolarHBondContact O-N 3.04Å; G756-I760 VanDerWaalsContact O-N 3.16Å
757	E	97.4	Very high	97.4	Very high	39 Å²	39	41.7 Å²	41.7	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-47.5	-178.2	164	171.9	177.2	0	0	113.6	R751 A754 N759 I760 Q761 F776	R751-E757 WeakPolarHBondContact CD-OE2 3.48Å; R751-E757 IonicContact CZ-OE1 3.09Å; R751-E757 IonicContact CZ-OE2 3.35Å; R751-E757 IonicContact NE-OE2 2.83Å; R751-E757 PolarHBondContact NE-OE2 3.11Å; R751-E757 IonicContact NH2-OE1 2.84Å; R751-E757 PolarHBondContact NH2-OE1 3Å; R751-E757 IonicContact NH2-OE2 3.26Å; R751-E757 PolarHBondContact NH2-OE2 2.66Å; A754-E757 PolarHBondContact O-N 3.46Å; E757-N759 PolarHBondContact O-N 2.9Å; E757-I760 PolarHBondContact O-N 3.15Å; E757-Q761 HydrophobicContact CG-CG 4.31Å; E757-Q761 WeakPolarHBondContact O-CG 3.22Å; E757-Q761 PolarHBondContact O-N 2.86Å; E757-F776 HydrophobicContact CB-CD1 4.17Å; E757-F776 HydrophobicContact CB-CD2 4.35Å; E757-F776 HydrophobicContact CB-CE1 4.02Å; E757-F776 HydrophobicContact CB-CE2 4.23Å; E757-F776 HydrophobicContact CB-CG 4.31Å; E757-F776 HydrophobicContact CB-CZ 4.05Å; E757-F776 HydrophobicContact CG-CD1 4.26Å; E757-F776 HydrophobicContact CG-CD2 3.61Å; E757-F776 HydrophobicContact CG-CE1 4.32Å; E757-F776 HydrophobicContact CG-CE2 3.69Å; E757-F776 HydrophobicContact CG-CG 3.9Å; E757-F776 HydrophobicContact CG-CZ 4.04Å; E757-F776 WeakPolarHBondContact OE2-CB 3.47Å
758	P	97.9	Very high	97.4	Very high	82 Å²	82	44.1 Å²	44.1	53%	0.532	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-37.2	178.4	-25.1	35.1	0	0	0	113	Q761 Q762	P758-Q761 PolarHBondContact O-N 3.37Å; P758-Q762 WeakPolarHBondContact O-CB 3.34Å; P758-Q762 PolarHBondContact O-N 3.09Å
759	N	98.4	Very high	97.3	Very high	48 Å²	48	44.5 Å²	44.5	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-67.8	-48.8	179.5	-69.7	-21.6	0	0	0	111.2	V350 C351 G756 E757 Q761 Q762 Y763	V350-N759 PolarHBondContact O-ND2 3.29Å; C351-N759 HydrophobicContact CB-CB 4.38Å; C351-N759 WeakPolarHBondContact O-CB 3.47Å; G756-N759 PolarHBondContact O-N 3.07Å; E757-N759 PolarHBondContact O-N 2.9Å; N759-Q761 VanDerWaalsContact C-N 3.3Å; N759-Q761 PolarHBondContact O-N 2.85Å; N759-Q762 PolarHBondContact O-N 3.43Å; N759-Q762 VanDerWaalsContact O-N 3.17Å; N759-Y763 HydrophobicContact CB-CE2 4.35Å; N759-Y763 WeakPolarHBondContact O-CD2 3.38Å; N759-Y763 PolarHBondContact O-N 3.21Å
760	I	98.6	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-44.6	175.8	-68.7	-66.3	0	0	0	111.1	C351 W353 I727 L732 L749 G756 E757 Q762 Y763 A764 I774 F776	C351-I760 HydrophobicContact CB-CD1 3.78Å; C351-I760 HydrophobicContact CB-CG1 4.02Å; W353-I760 HydrophobicContact CH2-CD1 3.54Å; W353-I760 HydrophobicContact CZ2-CD1 4Å; W353-I760 HydrophobicContact CZ3-CD1 4.32Å; I727-I760 HydrophobicContact CG2-CD1 4.3Å; L732-I760 HydrophobicContact CD1-CG2 4.2Å; L732-I760 HydrophobicContact CD2-CD1 4.26Å; L732-I760 HydrophobicContact CD2-CG2 4.44Å; L749-I760 HydrophobicContact CD1-CG2 4.05Å; G756-I760 PolarHBondContact O-N 3.04Å; G756-I760 VanDerWaalsContact O-N 3.16Å; E757-I760 PolarHBondContact O-N 3.15Å; I760-Q762 PolarHBondContact O-N 2.97Å; I760-Y763 PolarHBondContact O-N 3.16Å; I760-A764 VanDerWaalsContact O-CB 3.3Å; I760-A764 WeakPolarHBondContact O-CB 3.45Å; I760-A764 PolarHBondContact O-N 3.3Å; I760-I774 HydrophobicContact CG2-CD1 4.19Å; I760-F776 HydrophobicContact CB-CZ 4.09Å; I760-F776 HydrophobicContact CG2-CE2 4.47Å; I760-F776 HydrophobicContact CG2-CZ 3.92Å
761	Q	98.3	Very high	96.8	Very high	19 Å²	19	53.7 Å²	53.7	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-44	177.5	-70.7	-72.1	6.1	0	0	111.7	E757 P758 N759 A764 Q765 Q771 I774 F776	E757-Q761 HydrophobicContact CG-CG 4.31Å; E757-Q761 WeakPolarHBondContact O-CG 3.22Å; E757-Q761 PolarHBondContact O-N 2.86Å; P758-Q761 PolarHBondContact O-N 3.37Å; N759-Q761 VanDerWaalsContact C-N 3.3Å; N759-Q761 PolarHBondContact O-N 2.85Å; Q761-A764 PolarHBondContact O-N 3.24Å; Q761-Q765 WeakPolarHBondContact O-CB 3.14Å; Q761-Q765 WeakPolarHBondContact O-CG 3.38Å; Q761-Q765 PolarHBondContact O-N 3.5Å; Q761-Q771 PolarHBondContact OE1-O 3.01Å; Q761-I774 PolarHBondContact NE2-O 3.38Å; Q761-I774 VanDerWaalsContact NE2-O 3.08Å; Q761-F776 HydrophobicContact CG-CE2 4.18Å
762	Q	98.2	Very high	96.7	Very high	95 Å²	95	55 Å²	55	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-45.3	178	-173.5	62.5	61.2	0	0	112	P758 N759 I760 Q765 N766	P758-Q762 WeakPolarHBondContact O-CB 3.34Å; P758-Q762 PolarHBondContact O-N 3.09Å; N759-Q762 PolarHBondContact O-N 3.43Å; N759-Q762 VanDerWaalsContact O-N 3.17Å; I760-Q762 PolarHBondContact O-N 2.97Å; Q762-Q765 PolarHBondContact O-N 3.22Å; Q762-N766 PolarHBondContact NE2-OD1 3.33Å; Q762-N766 PolarHBondContact O-N 3.45Å; Q762-N766 PolarHBondContact O-OD1 3.03Å
763	Y	98.6	Very high	96.8	Very high	46 Å²	46	52.2 Å²	52.2	18%	0.18	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-39.9	177.4	-72.9	-65.2	0	0	0	112	C351 W353 T354 N759 I760 Q765 N766 M767	C351-Y763 VanDerWaalsContact O-CE2 3.3Å; C351-Y763 WeakPolarHBondContact O-CE2 3.48Å; W353-Y763 VanDerWaalsContact CA-OH 3.3Å; W353-Y763 WeakPolarHBondContact CA-OH 3.48Å; W353-Y763 HydrophobicContact CB-CE1 4.2Å; W353-Y763 HydrophobicContact CB-CE2 3.99Å; W353-Y763 HydrophobicContact CD2-CD2 4.14Å; W353-Y763 HydrophobicContact CD2-CE2 4.03Å; W353-Y763 HydrophobicContact CE3-CD1 4.1Å; W353-Y763 AromaticContact CE3-CD2 3.39Å; W353-Y763 HydrophobicContact CE3-CD2 3.39Å; W353-Y763 HydrophobicContact CE3-CE1 4.34Å; W353-Y763 AromaticContact CE3-CE2 3.7Å; W353-Y763 HydrophobicContact CE3-CE2 3.7Å; W353-Y763 AromaticContact CE3-CG 3.65Å; W353-Y763 HydrophobicContact CE3-CG 3.65Å; W353-Y763 HydrophobicContact CG-CE2 4.19Å; W353-Y763 AromaticContact CZ3-CD2 3.8Å; W353-Y763 HydrophobicContact CZ3-CD2 3.8Å; W353-Y763 AromaticContact CZ3-CG 3.95Å; W353-Y763 HydrophobicContact CZ3-CG 3.95Å; W353-Y763 PolarHBondContact N-OH 2.75Å; T354-Y763 PolarHBondContact N-OH 2.88Å; T354-Y763 VanDerWaalsContact N-OH 3.08Å; N759-Y763 HydrophobicContact CB-CE2 4.35Å; N759-Y763 WeakPolarHBondContact O-CD2 3.38Å; N759-Y763 PolarHBondContact O-N 3.21Å; I760-Y763 PolarHBondContact O-N 3.16Å; Y763-Q765 VanDerWaalsContact C-N 3.34Å; Y763-Q765 PolarHBondContact O-N 3.32Å; Y763-N766 PolarHBondContact O-N 2.78Å; Y763-M767 VanDerWaalsContact O-CG 3.25Å; Y763-M767 WeakPolarHBondContact O-CG 3.43Å; Y763-M767 PolarHBondContact O-N 2.92Å
764	A	98.3	Very high	97	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-41.3	174.7	0	0	0	0	0	112.2	I760 Q761 M767 G768 L769 I774	I760-A764 VanDerWaalsContact O-CB 3.3Å; I760-A764 WeakPolarHBondContact O-CB 3.45Å; I760-A764 PolarHBondContact O-N 3.3Å; Q761-A764 PolarHBondContact O-N 3.24Å; A764-M767 CarbonylContact O-C 3.49Å; A764-M767 WeakPolarHBondContact O-CA 3.33Å; A764-M767 WeakPolarHBondContact O-CB 3.32Å; A764-M767 PolarHBondContact O-N 2.88Å; A764-G768 PolarHBondContact O-N 3.13Å; A764-L769 HydrophobicContact CB-CB 4.31Å; A764-L769 HydrophobicContact CB-CD1 4.02Å; A764-L769 WeakPolarHBondContact O-CB 3.47Å; A764-L769 PolarHBondContact O-N 3.37Å; A764-I774 HydrophobicContact CB-CD1 3.48Å; A764-I774 VanDerWaalsContact CB-CD1 3.48Å
765	Q	98	Very high	97.2	Very high	69 Å²	69	50.4 Å²	50.4	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-43	175	-71.7	162.7	20.3	0	0	112	Q761 Q762 Y763 M767 G768	Q761-Q765 WeakPolarHBondContact O-CB 3.14Å; Q761-Q765 WeakPolarHBondContact O-CG 3.38Å; Q761-Q765 PolarHBondContact O-N 3.5Å; Q762-Q765 PolarHBondContact O-N 3.22Å; Y763-Q765 VanDerWaalsContact C-N 3.34Å; Y763-Q765 PolarHBondContact O-N 3.32Å; Q765-M767 PolarHBondContact O-N 3.26Å; Q765-G768 WeakPolarHBondContact O-CA 3.29Å; Q765-G768 PolarHBondContact O-N 3.48Å
766	N	97.9	Very high	97.3	Very high	112 Å²	112	48 Å²	48	60%	0.599	26%	0.259	S	S	*	.	H	α-helix	trans	-62.3	-30.7	174.8	-64.7	-7.7	0	0	0	111.7	Q762 Y763 G768	Q762-N766 PolarHBondContact NE2-OD1 3.33Å; Q762-N766 PolarHBondContact O-N 3.45Å; Q762-N766 PolarHBondContact O-OD1 3.03Å; Y763-N766 PolarHBondContact O-N 2.78Å; N766-G768 PolarHBondContact O-N 3.26Å
767	M	98.3	Very high	97.3	Very high	31 Å²	31	48.2 Å²	48.2	15%	0.153	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.5	171.4	-65.7	170.5	-175.8	0	0	113	L732 Q733 A736 K740 Y763 A764 Q765	L732-M767 HydrophobicContact CB-CE 4.34Å; L732-M767 HydrophobicContact CD2-CE 4.3Å; L732-M767 HydrophobicContact CD2-SD 4.28Å; L732-M767 HydrophobicContact CG-CE 4.33Å; L732-M767 HydrophobicContact CG-SD 4.05Å; Q733-M767 HydrophobicContact CB-CE 4.09Å; Q733-M767 HydrophobicContact CB-SD 4.35Å; A736-M767 HydrophobicContact CB-CB 4.1Å; A736-M767 HydrophobicContact CB-SD 4.02Å; K740-M767 WeakPolarHBondContact CE-O 3.4Å; K740-M767 PolarHBondContact NZ-O 3.31Å; Y763-M767 VanDerWaalsContact O-CG 3.25Å; Y763-M767 WeakPolarHBondContact O-CG 3.43Å; Y763-M767 PolarHBondContact O-N 2.92Å; A764-M767 CarbonylContact O-C 3.49Å; A764-M767 WeakPolarHBondContact O-CA 3.33Å; A764-M767 WeakPolarHBondContact O-CB 3.32Å; A764-M767 PolarHBondContact O-N 2.88Å; Q765-M767 PolarHBondContact O-N 3.26Å
768	G	97.6	Very high	97.3	Very high	51 Å²	51	50 Å²	50	53%	0.526	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	23.9	176.9	0	0	0	0	0	115.2	A764 Q765 N766	A764-G768 PolarHBondContact O-N 3.13Å; Q765-G768 WeakPolarHBondContact O-CA 3.29Å; Q765-G768 PolarHBondContact O-N 3.48Å; N766-G768 PolarHBondContact O-N 3.26Å
769	L	97.5	Very high	97.1	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.042	27%	0.274	C	S	.	.			trans	-93.7	133.9	170.1	-69.2	176.4	0	0	0	111.8	A736 L739 K740 A764 I774	A736-L769 HydrophobicContact CB-CD1 3.63Å; A736-L769 HydrophobicContact CB-CG 3.99Å; L739-L769 HydrophobicContact CB-CD2 3.76Å; L739-L769 HydrophobicContact CD1-CD1 3.76Å; L739-L769 HydrophobicContact CD1-CD2 4.35Å; K740-L769 HydrophobicContact CG-CD2 4.06Å; A764-L769 HydrophobicContact CB-CB 4.31Å; A764-L769 HydrophobicContact CB-CD1 4.02Å; A764-L769 WeakPolarHBondContact O-CB 3.47Å; A764-L769 PolarHBondContact O-N 3.37Å; L769-I774 HydrophobicContact CD1-CD1 4.48Å
770	P	94.8	Very high	97	Very high	72 Å²	72	48.5 Å²	48.5	47%	0.468	27%	0.268	S	S	.	.			trans	-61	147.1	167.7	-22.5	31.7	0	0	0	112.8	N772 R773	P770-N772 WeakPolarHBondContact CB-OD1 3.49Å; P770-N772 PolarHBondContact O-N 3.12Å; P770-N772 VanDerWaalsContact O-N 3.16Å; P770-R773 HydrophobicContact CB-CG 4.05Å; P770-R773 HydrophobicContact CG-CG 4.18Å; P770-R773 WeakPolarHBondContact O-CB 3.33Å; P770-R773 WeakPolarHBondContact O-CG 3.28Å; P770-R773 PolarHBondContact O-N 3.19Å
771	Q	89.8	Confident	97	Very high	133 Å²	133	50.4 Å²	50.4	62%	0.621	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-58.5	-31.3	-175.3	-171.4	178.9	6.9	0	0	113.9	Q761 R773	Q761-Q771 PolarHBondContact OE1-O 3.01Å; Q771-R773 PolarHBondContact O-N 2.92Å
772	N	93.9	Very high	97	Very high	120 Å²	120	51 Å²	51	64%	0.642	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-78.3	-0.8	-179.8	66.6	-25.1	0	0	0	114.2	P770	P770-N772 WeakPolarHBondContact CB-OD1 3.49Å; P770-N772 PolarHBondContact O-N 3.12Å; P770-N772 VanDerWaalsContact O-N 3.16Å
773	R	97.9	Very high	97	Very high	29 Å²	29	46.5 Å²	46.5	11%	0.109	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-82.8	-16.2	178.7	-60	-61.3	-57.6	-75	-1.2	113.5	L739 V742 P743 S745 V746 L747 P770 Q771	L739-R773 PolarHBondContact O-NH1 2.87Å; L739-R773 PolarHBondContact O-NH2 2.89Å; V742-R773 PolarHBondContact O-NH2 2.92Å; V742-R773 VanDerWaalsContact O-NH2 3.07Å; P743-R773 PolarHBondContact O-NH2 3.34Å; S745-R773 PolarHBondContact O-NE 3.27Å; S745-R773 PolarHBondContact O-NH2 3.24Å; S745-R773 PolarHBondContact OG-NH2 2.99Å; V746-R773 CarbonylContact C-O 3.57Å; V746-R773 WeakPolarHBondContact CA-O 3.11Å; L747-R773 PolarHBondContact N-O 3.43Å; P770-R773 HydrophobicContact CB-CG 4.05Å; P770-R773 HydrophobicContact CG-CG 4.18Å; P770-R773 WeakPolarHBondContact O-CB 3.33Å; P770-R773 WeakPolarHBondContact O-CG 3.28Å; P770-R773 PolarHBondContact O-N 3.19Å; Q771-R773 PolarHBondContact O-N 2.92Å
774	I	98.6	Very high	97	Very high	6 Å²	6	45 Å²	45	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.7	175.5	-54.6	-177.5	0	0	0	108.7	L732 L747 L749 I760 Q761 A764 L769 F776	L732-I774 HydrophobicContact CD1-CD1 4.41Å; L747-I774 HydrophobicContact CB-CG1 4.42Å; L747-I774 HydrophobicContact CD2-CD1 4.48Å; L747-I774 HydrophobicContact CD2-CG1 4.47Å; L747-I774 CarbonylContact O-C 3.53Å; L747-I774 VanDerWaalsContact O-CA 3.31Å; L747-I774 WeakPolarHBondContact O-CA 3.38Å; L749-I774 HydrophobicContact CD1-CG2 3.77Å; L749-I774 HydrophobicContact CG-CG2 4.1Å; I760-I774 HydrophobicContact CG2-CD1 4.19Å; Q761-I774 PolarHBondContact NE2-O 3.38Å; Q761-I774 VanDerWaalsContact NE2-O 3.08Å; A764-I774 HydrophobicContact CB-CD1 3.48Å; A764-I774 VanDerWaalsContact CB-CD1 3.48Å; L769-I774 HydrophobicContact CD1-CD1 4.48Å; I774-F776 HydrophobicContact CG2-CD2 4.08Å; I774-F776 HydrophobicContact CG2-CE2 3.51Å; I774-F776 HydrophobicContact CG2-CZ 4.11Å
775	I	98.6	Very high	97	Very high	32 Å²	32	46 Å²	46	16%	0.164	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.2	-179.8	-61.2	172.6	0	0	0	108.2	L711 V746 L747 W748 L749	L711-I775 HydrophobicContact CD2-CB 4.46Å; L711-I775 HydrophobicContact CD2-CD1 3.96Å; L711-I775 HydrophobicContact CD2-CG2 4.23Å; V746-I775 HydrophobicContact CB-CD1 4.12Å; V746-I775 HydrophobicContact CG1-CD1 4.12Å; V746-I775 HydrophobicContact CG2-CD1 4.03Å; L747-I775 PolarHBondContact O-N 3.06Å; W748-I775 CarbonylContact C-O 3.59Å; W748-I775 WeakPolarHBondContact CA-O 3.34Å; L749-I775 PolarHBondContact N-O 3.16Å
776	F	98.5	Very high	97	Very high	16 Å²	16	42.8 Å²	42.8	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.1	176.9	-78.4	-92.5	0	0	0	110.9	L724 L749 R751 E757 I760 Q761 I774	L724-F776 HydrophobicContact CD1-CE1 4.35Å; L724-F776 HydrophobicContact CD2-CE1 4.19Å; L749-F776 HydrophobicContact CB-CD1 3.87Å; L749-F776 HydrophobicContact CB-CE1 3.65Å; L749-F776 HydrophobicContact CB-CZ 4.11Å; L749-F776 HydrophobicContact CD1-CE1 4.07Å; L749-F776 HydrophobicContact CD1-CE2 4.49Å; L749-F776 HydrophobicContact CD1-CZ 3.79Å; L749-F776 HydrophobicContact CG-CE1 4.5Å; L749-F776 WeakPolarHBondContact O-CA 3.38Å; R751-F776 HydrophobicContact CB-CB 4.25Å; R751-F776 HydrophobicContact CB-CD1 4.19Å; E757-F776 HydrophobicContact CB-CD1 4.17Å; E757-F776 HydrophobicContact CB-CD2 4.35Å; E757-F776 HydrophobicContact CB-CE1 4.02Å; E757-F776 HydrophobicContact CB-CE2 4.23Å; E757-F776 HydrophobicContact CB-CG 4.31Å; E757-F776 HydrophobicContact CB-CZ 4.05Å; E757-F776 HydrophobicContact CG-CD1 4.26Å; E757-F776 HydrophobicContact CG-CD2 3.61Å; E757-F776 HydrophobicContact CG-CE1 4.32Å; E757-F776 HydrophobicContact CG-CE2 3.69Å; E757-F776 HydrophobicContact CG-CG 3.9Å; E757-F776 HydrophobicContact CG-CZ 4.04Å; E757-F776 WeakPolarHBondContact OE2-CB 3.47Å; I760-F776 HydrophobicContact CB-CZ 4.09Å; I760-F776 HydrophobicContact CG2-CE2 4.47Å; I760-F776 HydrophobicContact CG2-CZ 3.92Å; Q761-F776 HydrophobicContact CG-CE2 4.18Å; I774-F776 HydrophobicContact CG2-CD2 4.08Å; I774-F776 HydrophobicContact CG2-CE2 3.51Å; I774-F776 HydrophobicContact CG2-CZ 4.11Å
777	S	97.1	Very high	97.1	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.4	169.2	-69.8	0	0	0	0	111.6	W748 L749 R751	W748-S777 PolarHBondContact NE1-OG 3.33Å; L749-S777 PolarHBondContact O-N 3.07Å; L749-S777 VanDerWaalsContact O-N 3.08Å; R751-S777 VanDerWaalsContact CB-O 3.3Å; R751-S777 WeakPolarHBondContact CB-O 3.36Å; R751-S777 PolarHBondContact N-O 2.87Å
778	P	96.1	Very high	97.1	Very high	77 Å²	77	36 Å²	36	50%	0.5	21%	0.209	S	C	.	.			trans	-61.7	163.2	177.8	27.6	-35.2	0	0	0	111.9	A780 R788	P778-A780 PolarHBondContact O-N 3.04Å; P778-R788 PolarHBondContact O-NH1 2.93Å; P778-R788 PolarHBondContact O-NH2 3.48Å
779	V	94.8	Very high	97.1	Very high	84 Å²	84	33.6 Å²	33.6	51%	0.509	19%	0.185	S	C	.	.			trans	-57.9	133.1	163.6	-175.1	0	0	0	0	108.4	L750 F752	L750-V779 HydrophobicContact CD1-CB 4.46Å; L750-V779 HydrophobicContact CD1-CG2 4.06Å; L750-V779 HydrophobicContact CD2-CG2 4.49Å; L750-V779 HydrophobicContact CG-CG2 4.4Å; F752-V779 HydrophobicContact CB-CG2 3.68Å; F752-V779 HydrophobicContact CD1-CG2 4.47Å; F752-V779 HydrophobicContact CD2-CG2 3.75Å; F752-V779 HydrophobicContact CG-CG2 3.72Å
780	A	96	Very high	97.2	Very high	14 Å²	14	33.2 Å²	33.2	12%	0.116	18%	0.183	C	C	.	.			trans	-112.3	156.7	-179.4	0	0	0	0	0	110	P778 E784 H785	P778-A780 PolarHBondContact O-N 3.04Å; A780-E784 HydrophobicContact CB-CB 4.03Å; A780-E784 HydrophobicContact CB-CG 3.93Å; A780-E784 VanDerWaalsContact CB-OE1 3.29Å; A780-E784 WeakPolarHBondContact CB-OE1 3.43Å; A780-H785 HydrophobicContact CB-CB 4.37Å
781	P	97.3	Very high	97.4	Very high	39 Å²	39	29.8 Å²	29.8	25%	0.253	16%	0.161	S	C	.	.			trans	-50.5	152.4	164.9	-22.3	32	0	0	0	111.3	T685 A692 E783 E784 H785	T685-P781 HydrophobicContact CG2-CB 4.3Å; T685-P781 HydrophobicContact CG2-CG 3.48Å; T685-P781 VanDerWaalsContact CG2-CG 3.48Å; A692-P781 HydrophobicContact CB-CB 3.86Å; A692-P781 HydrophobicContact CB-CG 4.34Å; A692-P781 CarbonylContact O-C 3.51Å; A692-P781 WeakPolarHBondContact O-CB 3.32Å; P781-E783 VanDerWaalsContact C-N 3.33Å; P781-E783 PolarHBondContact O-N 3.4Å; P781-E784 PolarHBondContact O-N 3.31Å; P781-E784 VanDerWaalsContact O-N 3.09Å; P781-H785 WeakPolarHBondContact O-CB 3.28Å; P781-H785 PolarHBondContact O-N 3.3Å
782	K	98.3	Very high	97.8	Very high	31 Å²	31	23.4 Å²	23.4	14%	0.135	13%	0.131	C	C	.	.	H	α-helix	trans	-56.5	-43.2	-169.1	-176.2	65.8	-176.1	175.6	0	112.9	F586 A692 H785 V786 D809	F586-K782 HydrophobicContact CZ-CG 3.92Å; A692-K782 PolarHBondContact O-N 3.09Å; K782-H785 PolarHBondContact O-N 3.26Å; K782-V786 WeakPolarHBondContact O-CG2 3.48Å; K782-V786 PolarHBondContact O-N 3.11Å; K782-D809 IonicContact NZ-OD1 3.21Å; K782-D809 PolarHBondContact NZ-OD1 3.13Å; K782-D809 IonicContact NZ-OD2 2.65Å; K782-D809 PolarHBondContact NZ-OD2 3.01Å
783	E	98.7	Very high	98.1	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-45.4	177.8	-174.8	-78.5	159.6	0	0	111.9	F586 H588 A691 A692 P698 P781 H785 V786 R787	F586-E783 HydrophobicContact CD1-CB 4.45Å; F586-E783 HydrophobicContact CD1-CG 4.24Å; F586-E783 HydrophobicContact CE1-CB 4.06Å; F586-E783 HydrophobicContact CE1-CG 4.35Å; H588-E783 IonicContact CD2-OE1 2.95Å; H588-E783 IonicContact CE1-OE1 2.93Å; H588-E783 IonicContact NE2-OE1 2.67Å; H588-E783 PolarHBondContact NE2-OE1 3.39Å; A691-E783 VanDerWaalsContact O-CB 3.28Å; A691-E783 WeakPolarHBondContact O-CB 3.25Å; A692-E783 WeakPolarHBondContact O-CB 3.34Å; A692-E783 PolarHBondContact O-N 3.03Å; P698-E783 HydrophobicContact CG-CG 4.12Å; P781-E783 VanDerWaalsContact C-N 3.33Å; P781-E783 PolarHBondContact O-N 3.4Å; E783-H785 VanDerWaalsContact C-N 3.34Å; E783-H785 PolarHBondContact O-N 3.22Å; E783-V786 PolarHBondContact O-N 3.29Å; E783-R787 VanDerWaalsContact CD-NE 3.34Å; E783-R787 VanDerWaalsContact O-CB 3.25Å; E783-R787 WeakPolarHBondContact O-CB 3.21Å; E783-R787 PolarHBondContact O-N 3.48Å; E783-R787 VanDerWaalsContact OE1-CD 3.31Å; E783-R787 WeakPolarHBondContact OE1-CD 3.45Å; E783-R787 IonicContact OE1-CZ 3.79Å; E783-R787 IonicContact OE1-NE 2.61Å; E783-R787 PolarHBondContact OE1-NE 3.48Å; E783-R787 IonicContact OE2-CZ 2.99Å; E783-R787 IonicContact OE2-NE 2.81Å; E783-R787 PolarHBondContact OE2-NE 2.86Å; E783-R787 VanDerWaalsContact OE2-NE 3.07Å; E783-R787 IonicContact OE2-NH2 2.99Å; E783-R787 PolarHBondContact OE2-NH2 3.21Å
784	E	98.8	Very high	98.1	Very high	16 Å²	16	16.6 Å²	16.6	8%	0.075	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-40.3	179.3	-178.5	-165.8	135.9	0	0	110.8	Y709 A780 P781 V786 R787 R788	Y709-E784 WeakPolarHBondContact OH-CG 3.33Å; Y709-E784 PolarHBondContact OH-OE1 2.89Å; A780-E784 HydrophobicContact CB-CB 4.03Å; A780-E784 HydrophobicContact CB-CG 3.93Å; A780-E784 VanDerWaalsContact CB-OE1 3.29Å; A780-E784 WeakPolarHBondContact CB-OE1 3.43Å; P781-E784 PolarHBondContact O-N 3.31Å; P781-E784 VanDerWaalsContact O-N 3.09Å; E784-V786 VanDerWaalsContact C-N 3.35Å; E784-V786 PolarHBondContact O-N 2.9Å; E784-R787 PolarHBondContact O-N 2.87Å; E784-R788 VanDerWaalsContact O-CB 3.28Å; E784-R788 WeakPolarHBondContact O-CB 3.26Å; E784-R788 VanDerWaalsContact O-CG 3.27Å; E784-R788 WeakPolarHBondContact O-CG 3.36Å; E784-R788 PolarHBondContact O-N 3.45Å
785	H	98.4	Very high	98.1	Very high	21 Å²	21	16.5 Å²	16.5	10%	0.097	10%	0.097	C	C	.	.	H	α-helix	trans	-57	-46.2	176.3	178.3	91.7	0	0	0	112.2	F721 A780 P781 K782 E783 D809	F721-H785 VanDerWaalsContact CB-CE1 3.43Å; F721-H785 WeakPolarHBondContact CB-CE1 3.46Å; A780-H785 HydrophobicContact CB-CB 4.37Å; P781-H785 WeakPolarHBondContact O-CB 3.28Å; P781-H785 PolarHBondContact O-N 3.3Å; K782-H785 PolarHBondContact O-N 3.26Å; E783-H785 VanDerWaalsContact C-N 3.34Å; E783-H785 PolarHBondContact O-N 3.22Å; H785-D809 IonicContact CD2-OD2 3.8Å; H785-D809 PolarHBondContact CD2-OD2 3.38Å; H785-D809 IonicContact NE2-OD2 3.12Å
786	V	98.8	Very high	98.1	Very high	1 Å²	1	15 Å²	15	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-70.2	-49.5	177.8	178.4	0	0	0	0	110.3	F586 L589 K782 E783 E784 R788 G789 D809 W812	F586-V786 HydrophobicContact CD2-CB 4.47Å; F586-V786 HydrophobicContact CD2-CG1 4.13Å; F586-V786 HydrophobicContact CD2-CG2 4.28Å; F586-V786 HydrophobicContact CE2-CB 4.4Å; F586-V786 HydrophobicContact CE2-CG1 4.45Å; F586-V786 HydrophobicContact CE2-CG2 3.78Å; F586-V786 HydrophobicContact CZ-CG2 4.12Å; L589-V786 HydrophobicContact CD1-CB 4.43Å; L589-V786 HydrophobicContact CD1-CG1 3.74Å; K782-V786 WeakPolarHBondContact O-CG2 3.48Å; K782-V786 PolarHBondContact O-N 3.11Å; E783-V786 PolarHBondContact O-N 3.29Å; E784-V786 VanDerWaalsContact C-N 3.35Å; E784-V786 PolarHBondContact O-N 2.9Å; V786-R788 PolarHBondContact O-N 3.42Å; V786-G789 PolarHBondContact O-N 3.03Å; V786-G789 VanDerWaalsContact O-N 3.16Å; V786-D809 HydrophobicContact CG2-CB 3.93Å; V786-W812 HydrophobicContact CG1-CB 4.44Å
787	R	98.8	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-44.8	-176.9	176.3	170.3	46.4	72.7	3.8	112.4	L589 G681 T704 E783 E784 G789 Q790	L589-R787 HydrophobicContact CD1-CB 4.21Å; L589-R787 HydrophobicContact CD2-CB 4.07Å; L589-R787 HydrophobicContact CD2-CG 3.96Å; G681-R787 PolarHBondContact O-NH2 3.34Å; T704-R787 HydrophobicContact CG2-CG 4.43Å; T704-R787 VanDerWaalsContact OG1-CD 3.28Å; T704-R787 WeakPolarHBondContact OG1-CD 3.47Å; T704-R787 WeakPolarHBondContact OG1-CG 3.34Å; T704-R787 PolarHBondContact OG1-NH1 3.45Å; E783-R787 VanDerWaalsContact CD-NE 3.34Å; E783-R787 VanDerWaalsContact O-CB 3.25Å; E783-R787 WeakPolarHBondContact O-CB 3.21Å; E783-R787 PolarHBondContact O-N 3.48Å; E783-R787 VanDerWaalsContact OE1-CD 3.31Å; E783-R787 WeakPolarHBondContact OE1-CD 3.45Å; E783-R787 IonicContact OE1-CZ 3.79Å; E783-R787 IonicContact OE1-NE 2.61Å; E783-R787 PolarHBondContact OE1-NE 3.48Å; E783-R787 IonicContact OE2-CZ 2.99Å; E783-R787 IonicContact OE2-NE 2.81Å; E783-R787 PolarHBondContact OE2-NE 2.86Å; E783-R787 VanDerWaalsContact OE2-NE 3.07Å; E783-R787 IonicContact OE2-NH2 2.99Å; E783-R787 PolarHBondContact OE2-NH2 3.21Å; E784-R787 PolarHBondContact O-N 2.87Å; R787-G789 PolarHBondContact O-N 3.33Å; R787-G789 VanDerWaalsContact O-N 3.16Å; R787-Q790 VanDerWaalsContact O-CB 3.26Å; R787-Q790 WeakPolarHBondContact O-CB 3.28Å; R787-Q790 VanDerWaalsContact O-CG 3.31Å; R787-Q790 WeakPolarHBondContact O-CG 3.46Å; R787-Q790 PolarHBondContact O-N 2.94Å
788	R	98.6	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-18.8	-179	80.8	-174	-175.4	-179.8	2.7	113.1	T704 Y709 W748 P778 E784 V786 Q790 L791	T704-R788 HydrophobicContact CG2-CB 4.44Å; Y709-R788 HydrophobicContact CE2-CB 3.95Å; W748-R788 HydrophobicContact CH2-CB 4Å; W748-R788 HydrophobicContact CH2-CG 3.78Å; W748-R788 HydrophobicContact CZ2-CG 4.5Å; W748-R788 HydrophobicContact CZ3-CG 4.44Å; P778-R788 PolarHBondContact O-NH1 2.93Å; P778-R788 PolarHBondContact O-NH2 3.48Å; E784-R788 VanDerWaalsContact O-CB 3.28Å; E784-R788 WeakPolarHBondContact O-CB 3.26Å; E784-R788 VanDerWaalsContact O-CG 3.27Å; E784-R788 WeakPolarHBondContact O-CG 3.36Å; E784-R788 PolarHBondContact O-N 3.45Å; V786-R788 PolarHBondContact O-N 3.42Å; R788-Q790 PolarHBondContact O-N 2.57Å; R788-Q790 VanDerWaalsContact O-N 3.13Å; R788-L791 WeakPolarHBondContact O-CB 3.31Å; R788-L791 PolarHBondContact O-N 3.46Å
789	G	98.7	Very high	98.4	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-57.3	-22.7	170	0	0	0	0	0	113.6	V786 R787 L791 A792 T815	V786-G789 PolarHBondContact O-N 3.03Å; V786-G789 VanDerWaalsContact O-N 3.16Å; R787-G789 PolarHBondContact O-N 3.33Å; R787-G789 VanDerWaalsContact O-N 3.16Å; G789-L791 PolarHBondContact O-N 3.41Å; G789-A792 PolarHBondContact O-N 2.94Å; G789-T815 PolarHBondContact O-OG1 3.29Å
790	Q	98.9	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-65.2	-21.6	175.3	-67.7	177.6	-33.3	0	0	113.2	N606 N611 R787 R788 A813	N606-Q790 WeakPolarHBondContact CB-O 3.42Å; N611-Q790 PolarHBondContact ND2-NE2 3.13Å; N611-Q790 VanDerWaalsContact ND2-NE2 3.18Å; N611-Q790 PolarHBondContact OD1-OE1 3.14Å; R787-Q790 VanDerWaalsContact O-CB 3.26Å; R787-Q790 WeakPolarHBondContact O-CB 3.28Å; R787-Q790 VanDerWaalsContact O-CG 3.31Å; R787-Q790 WeakPolarHBondContact O-CG 3.46Å; R787-Q790 PolarHBondContact O-N 2.94Å; R788-Q790 PolarHBondContact O-N 2.57Å; R788-Q790 VanDerWaalsContact O-N 3.13Å; Q790-A813 HydrophobicContact CG-CB 3.89Å; Q790-A813 WeakPolarHBondContact CG-O 3Å
791	L	98.9	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-80.2	-19.6	-178.9	-57.5	178.2	0	0	0	113.4	N606 V609 T704 T705 R706 Y709 L711 W748 R788 G789	N606-L791 WeakPolarHBondContact O-CA 3.3Å; N606-L791 WeakPolarHBondContact O-CD2 3.27Å; V609-L791 HydrophobicContact CG2-CD2 4.08Å; T704-L791 HydrophobicContact CG2-CD1 3.69Å; T704-L791 HydrophobicContact CG2-CD2 4.07Å; T704-L791 HydrophobicContact CG2-CG 3.91Å; T705-L791 WeakPolarHBondContact O-CD1 3.39Å; R706-L791 HydrophobicContact CG-CB 4.22Å; R706-L791 HydrophobicContact CG-CD2 4.44Å; R706-L791 PolarHBondContact NE-O 3.22Å; R706-L791 VanDerWaalsContact NE-O 3.07Å; R706-L791 PolarHBondContact NH2-O 3.49Å; Y709-L791 HydrophobicContact CD2-CD1 3.53Å; Y709-L791 HydrophobicContact CE2-CD1 3.62Å; L711-L791 HydrophobicContact CD1-CB 4.45Å; W748-L791 HydrophobicContact CH2-CD1 4.48Å; W748-L791 HydrophobicContact CZ3-CB 4.34Å; R788-L791 WeakPolarHBondContact O-CB 3.31Å; R788-L791 PolarHBondContact O-N 3.46Å; G789-L791 PolarHBondContact O-N 3.41Å
792	A	98.9	Very high	98.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.			trans	-77.3	153.2	177.3	0	0	0	0	0	111.1	N606 V717 C719 G789 T815 R868	N606-A792 PolarHBondContact ND2-O 3.38Å; V717-A792 HydrophobicContact CG1-CB 4.37Å; C719-A792 HydrophobicContact CB-CB 3.87Å; C719-A792 VanDerWaalsContact SG-CB 3.5Å; G789-A792 PolarHBondContact O-N 2.94Å; A792-T815 HydrophobicContact CB-CG2 4.07Å; A792-R868 PolarHBondContact O-NH1 3.43Å
793	D	98.9	Very high	98.7	Very high	6 Å²	6	4.8 Å²	4.8	3%	0.032	3%	0.026	C	C	.	.	S	Bend	trans	-87.7	-46.7	172.8	-65.8	-65.4	0	0	0	110.4	N606 R607 R706 I716 V717 L864 R868	N606-D793 PolarHBondContact ND2-OD1 2.91Å; R607-D793 IonicContact NH1-OD1 3.53Å; R607-D793 IonicContact NH1-OD2 2.66Å; R706-D793 IonicContact CZ-OD2 3.14Å; R706-D793 IonicContact NH2-OD1 2.77Å; R706-D793 IonicContact NH2-OD2 2.96Å; R706-D793 PolarHBondContact NH2-OD2 3.04Å; I716-D793 WeakPolarHBondContact CA-OD2 3.43Å; I716-D793 HydrophobicContact CD1-CB 4.39Å; I716-D793 HydrophobicContact CG2-CB 4.08Å; V717-D793 PolarHBondContact N-OD2 2.95Å; V717-D793 PolarHBondContact O-N 3.29Å; D793-L864 HydrophobicContact CB-CD2 4.15Å; D793-R868 PolarHBondContact O-NH1 3.14Å
794	V	98.9	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.3	-176.1	-178.5	0	0	0	0	110	V717 Y718 C719 L796 P816 V818 L857 L864	V717-V794 PolarHBondContact O-N 2.86Å; Y718-V794 CarbonylContact C-O 3.59Å; Y718-V794 WeakPolarHBondContact CA-O 3.34Å; Y718-V794 HydrophobicContact CD1-CB 3.76Å; Y718-V794 HydrophobicContact CD1-CG1 4.11Å; Y718-V794 HydrophobicContact CE1-CB 3.93Å; Y718-V794 HydrophobicContact CE1-CG1 4.2Å; Y718-V794 HydrophobicContact CE1-CG2 4.24Å; C719-V794 PolarHBondContact N-O 3.49Å; V794-L796 HydrophobicContact CG1-CD2 4.3Å; V794-P816 CarbonylContact C-O 3.58Å; V794-V818 HydrophobicContact CG1-CG2 3.84Å; V794-L857 HydrophobicContact CG1-CD1 3.99Å; V794-L857 HydrophobicContact CG2-CB 3.68Å; V794-L857 HydrophobicContact CG2-CD1 4.12Å; V794-L857 HydrophobicContact CG2-CG 4.4Å; V794-L864 HydrophobicContact CG2-CD1 3.72Å
795	C	98.9	Very high	98.7	Very high	4 Å²	4	6.3 Å²	6.3	3%	0.027	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.6	167.3	-175.4	0	0	0	0	110.6	C719 V810 T815 P816 M817 V818	C719-C795 CarbonylContact O-C 3.5Å; C719-C795 VanDerWaalsContact O-CA 3.27Å; C719-C795 WeakPolarHBondContact O-CA 3.38Å; C719-C795 PolarHBondContact O-SG 2.68Å; C719-C795 VanDerWaalsContact O-SG 3.33Å; C795-V810 HydrophobicContact CB-CB 4.47Å; C795-V810 HydrophobicContact CB-CG1 4.1Å; C795-V810 HydrophobicContact CB-CG2 3.67Å; C795-T815 HydrophobicContact CB-CG2 4.32Å; C795-P816 PolarHBondContact N-O 3.39Å; C795-M817 HydrophobicContact CB-CB 4.1Å; C795-M817 HydrophobicContact CB-CG 4.16Å; C795-M817 CarbonylContact O-C 3.57Å; C795-M817 WeakPolarHBondContact O-CA 3.48Å; C795-V818 PolarHBondContact O-N 2.84Å
796	L	98.9	Very high	98.7	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	103.1	173.2	-65.3	-173.3	0	0	0	107.9	Y718 C719 N720 W735 I738 L747 V794 V818 Y850 A854	Y718-L796 HydrophobicContact CD1-CD1 3.83Å; Y718-L796 HydrophobicContact CD1-CD2 3.78Å; Y718-L796 HydrophobicContact CD1-CG 3.71Å; Y718-L796 HydrophobicContact CE1-CD2 4.2Å; Y718-L796 HydrophobicContact CG-CD1 3.89Å; Y718-L796 HydrophobicContact CG-CG 4.15Å; C719-L796 PolarHBondContact O-N 2.8Å; N720-L796 WeakPolarHBondContact CB-O 3.3Å; N720-L796 PolarHBondContact ND2-O 2.82Å; W735-L796 HydrophobicContact CG-CD1 4.11Å; W735-L796 HydrophobicContact CZ2-CB 4.35Å; W735-L796 WeakPolarHBondContact CZ2-O 3.47Å; I738-L796 HydrophobicContact CD1-CD1 4.03Å; I738-L796 HydrophobicContact CD1-CD2 4.3Å; L747-L796 HydrophobicContact CD1-CD1 4.36Å; V794-L796 HydrophobicContact CG1-CD2 4.3Å; L796-V818 HydrophobicContact CD2-CB 4.4Å; L796-Y850 VanDerWaalsContact C-OH 3.23Å; L796-Y850 WeakPolarHBondContact CA-OH 3.48Å; L796-Y850 VanDerWaalsContact CB-OH 3.23Å; L796-Y850 WeakPolarHBondContact CB-OH 3.47Å; L796-Y850 HydrophobicContact CD2-CE1 4.37Å; L796-A854 HydrophobicContact CD2-CB 3.7Å
797	D	98.9	Very high	98.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.			trans	-69.7	162.1	-179.7	-173.5	36.4	0	0	0	112.3	P799 N802 G803 M817 V818 T819 A830 Y850	D797-P799 WeakPolarHBondContact O-CD 3.45Å; D797-N802 WeakPolarHBondContact OD1-CA 3.44Å; D797-N802 VanDerWaalsContact OD2-CB 3.28Å; D797-N802 WeakPolarHBondContact OD2-CB 3.47Å; D797-N802 PolarHBondContact OD2-ND2 3Å; D797-G803 PolarHBondContact OD1-N 3.23Å; D797-M817 HydrophobicContact CB-CG 3.93Å; D797-M817 HydrophobicContact CB-SD 4.07Å; D797-V818 WeakPolarHBondContact CB-O 3.5Å; D797-V818 PolarHBondContact N-O 3.28Å; D797-T819 WeakPolarHBondContact OD2-CB 3.34Å; D797-T819 PolarHBondContact OD2-OG1 3.23Å; D797-A830 WeakPolarHBondContact OD2-CB 3.49Å; D797-Y850 PolarHBondContact N-OH 2.89Å; D797-Y850 PolarHBondContact O-OH 3.37Å
798	T	98.8	Very high	98.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.			trans	-94.9	113	177.3	34.7	0	0	0	0	110.3	K726 I727 T731 W735 L800 C801 N802	K726-T798 HydrophobicContact CB-CG2 4.06Å; K726-T798 WeakPolarHBondContact O-CB 3.35Å; K726-T798 WeakPolarHBondContact O-CG2 3.3Å; I727-T798 HydrophobicContact CG1-CG2 3.92Å; T731-T798 HydrophobicContact CG2-CG2 4.17Å; W735-T798 HydrophobicContact CH2-CG2 3.87Å; W735-T798 HydrophobicContact CZ2-CG2 3.95Å; T798-L800 VanDerWaalsContact C-N 3.3Å; T798-L800 PolarHBondContact O-N 3.25Å; T798-C801 VanDerWaalsContact CB-O 3.31Å; T798-C801 WeakPolarHBondContact CB-O 3.23Å; T798-C801 CarbonylContact O-C 3.34Å; T798-C801 PolarHBondContact O-N 3.22Å; T798-C801 PolarHBondContact OG1-O 3.28Å; T798-N802 WeakPolarHBondContact O-CA 3.22Å; T798-N802 PolarHBondContact O-N 3.19Å; T798-N802 PolarHBondContact O-ND2 3.02Å; T798-N802 VanDerWaalsContact O-ND2 3.1Å
799	P	98.7	Very high	98.7	Very high	14 Å²	14	6.7 Å²	6.7	9%	0.091	4%	0.038	C	C	.	.	S	Bend	trans	-69.8	-22.6	-178.8	-22.7	35.1	0	0	0	114.8	M734 D797 M820 S827	M734-P799 HydrophobicContact CE-CG 3.71Å; D797-P799 WeakPolarHBondContact O-CD 3.45Å; P799-M820 HydrophobicContact CB-CB 4.26Å; P799-M820 HydrophobicContact CB-CE 3.59Å; P799-M820 HydrophobicContact CG-CB 4.1Å; P799-M820 HydrophobicContact CG-CE 3.86Å; P799-S827 WeakPolarHBondContact O-CB 3.38Å
800	L	98.2	Very high	98.7	Very high	35 Å²	35	6.9 Å²	6.9	18%	0.183	4%	0.039	C	C	.	.	S	Bend	trans	-62.5	-46.3	176.2	177.4	65.4	0	0	0	111.2	L386 D728 T798	L386-L800 HydrophobicContact CB-CD2 4.5Å; L386-L800 HydrophobicContact CD2-CD2 4.12Å; L386-L800 HydrophobicContact CD2-CG 4.32Å; D728-L800 HydrophobicContact CB-CD2 4.16Å; T798-L800 VanDerWaalsContact C-N 3.3Å; T798-L800 PolarHBondContact O-N 3.25Å
801	C	98.6	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-154.3	121.7	176.8	173.1	0	0	0	0	106.1	L386 K726 T798	L386-C801 HydrophobicContact CD2-CB 3.99Å; K726-C801 HydrophobicContact CB-CB 4.5Å; K726-C801 HydrophobicContact CD-CB 4.1Å; K726-C801 WeakPolarHBondContact CD-O 3.35Å; K726-C801 HydrophobicContact CG-CB 4.15Å; T798-C801 VanDerWaalsContact CB-O 3.31Å; T798-C801 WeakPolarHBondContact CB-O 3.23Å; T798-C801 CarbonylContact O-C 3.34Å; T798-C801 PolarHBondContact O-N 3.22Å; T798-C801 PolarHBondContact OG1-O 3.28Å
802	N	98.8	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.			trans	-73.1	166	-170.9	-57.5	152.7	0	0	0	112.5	K726 D797 T798 H804 A826 S827 R828 V829 A830	K726-N802 PolarHBondContact NZ-O 3.35Å; D797-N802 WeakPolarHBondContact OD1-CA 3.44Å; D797-N802 VanDerWaalsContact OD2-CB 3.28Å; D797-N802 WeakPolarHBondContact OD2-CB 3.47Å; D797-N802 PolarHBondContact OD2-ND2 3Å; T798-N802 WeakPolarHBondContact O-CA 3.22Å; T798-N802 PolarHBondContact O-N 3.19Å; T798-N802 PolarHBondContact O-ND2 3.02Å; T798-N802 VanDerWaalsContact O-ND2 3.1Å; N802-H804 PolarHBondContact O-CD2 3.21Å; N802-H804 PolarHBondContact O-N 3.44Å; N802-A826 PolarHBondContact N-O 2.93Å; N802-S827 PolarHBondContact ND2-O 2.67Å; N802-S827 PolarHBondContact OD1-O 3.27Å; N802-R828 WeakPolarHBondContact OD1-CA 3.23Å; N802-R828 PolarHBondContact OD1-N 2.96Å; N802-R828 VanDerWaalsContact OD1-N 3.1Å; N802-V829 PolarHBondContact OD1-N 2.88Å; N802-V829 VanDerWaalsContact OD1-N 3.11Å; N802-A830 HydrophobicContact CB-CB 3.71Å; N802-A830 PolarHBondContact OD1-N 3.27Å
803	G	97.6	Very high	98.7	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.01	4%	0.039	C	C	.	.			trans	-64.2	105.3	156.5	0	0	0	0	0	110.9	N722 D797 G807	N722-G803 VanDerWaalsContact OD1-CA 3.26Å; N722-G803 WeakPolarHBondContact OD1-CA 3.11Å; D797-G803 PolarHBondContact OD1-N 3.23Å; G803-G807 WeakPolarHBondContact O-CA 3.37Å; G803-G807 PolarHBondContact O-N 3.49Å
804	H	98.4	Very high	98.6	Very high	25 Å²	25	6.8 Å²	6.8	12%	0.116	4%	0.039	C	C	.	.	S	Bend	trans	-79.6	-89.1	174.1	-58.7	159.6	0	0	0	109.3	F578 N802 T806 G807 M808 A826 V829 Q833	F578-H804 VanDerWaalsContact CE1-C 3.5Å; F578-H804 HydrophobicContact CE1-CB 4.4Å; F578-H804 WeakPolarHBondContact CE1-O 3.33Å; F578-H804 HydrophobicContact CE2-CB 3.85Å; F578-H804 HydrophobicContact CZ-CB 3.55Å; N802-H804 PolarHBondContact O-CD2 3.21Å; N802-H804 PolarHBondContact O-N 3.44Å; H804-T806 VanDerWaalsContact C-N 3.26Å; H804-T806 PolarHBondContact O-N 3.42Å; H804-G807 PolarHBondContact O-N 3.25Å; H804-M808 PolarHBondContact O-N 3.16Å; H804-A826 PolarHBondContact NE2-O 3.36Å; H804-V829 VanDerWaalsContact CD2-CB 3.49Å; H804-V829 WeakPolarHBondContact CD2-CB 3.41Å; H804-Q833 PolarHBondContact O-NE2 3.01Å
805	T	98.3	Very high	98.6	Very high	24 Å²	24	6.8 Å²	6.8	15%	0.147	4%	0.039	C	C	.	.	H	α-helix	trans	-56.3	-41	169.9	-52	0	0	0	0	111.7	P443 L447 G807 M808 D809	P443-T805 HydrophobicContact CB-CG2 4.38Å; L447-T805 HydrophobicContact CD2-CG2 4.09Å; T805-G807 PolarHBondContact O-N 3.13Å; T805-M808 WeakPolarHBondContact O-CB 3.48Å; T805-M808 PolarHBondContact O-N 3.22Å; T805-M808 VanDerWaalsContact O-N 3.11Å; T805-D809 PolarHBondContact O-N 3.35Å
806	T	98.4	Very high	98.6	Very high	24 Å²	24	6.6 Å²	6.6	15%	0.147	4%	0.038	C	C	.	.	H	α-helix	trans	-61.3	-33.2	177.1	-52.3	0	0	0	0	112.5	F721 H804 D809 V810	F721-T806 HydrophobicContact CB-CG2 3.99Å; H804-T806 VanDerWaalsContact C-N 3.26Å; H804-T806 PolarHBondContact O-N 3.42Å; T806-D809 PolarHBondContact O-N 2.99Å; T806-V810 WeakPolarHBondContact O-CG1 3.3Å; T806-V810 PolarHBondContact O-N 3.39Å; T806-V810 VanDerWaalsContact O-N 3.09Å
807	G	98.7	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.7	-46.4	173.1	0	0	0	0	0	111.3	G803 H804 T805 D809 V810 L811	G803-G807 WeakPolarHBondContact O-CA 3.37Å; G803-G807 PolarHBondContact O-N 3.49Å; H804-G807 PolarHBondContact O-N 3.25Å; T805-G807 PolarHBondContact O-N 3.13Å; G807-D809 VanDerWaalsContact C-N 3.35Å; G807-D809 PolarHBondContact O-N 3.46Å; G807-V810 VanDerWaalsContact O-CG1 3.29Å; G807-V810 WeakPolarHBondContact O-CG1 3.35Å; G807-V810 PolarHBondContact O-N 3.44Å; G807-L811 WeakPolarHBondContact O-CB 3.45Å; G807-L811 WeakPolarHBondContact O-CG 3.34Å; G807-L811 PolarHBondContact O-N 2.86Å
808	M	98.9	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.1	-41.6	174.4	-59.3	-59.6	-77.7	0	0	112.2	L447 F578 H582 H804 T805 V810 L811 W812 Q833 L880 F881	L447-M808 HydrophobicContact CD2-CG 4.47Å; F578-M808 HydrophobicContact CD1-CG 3.49Å; F578-M808 VanDerWaalsContact CD1-CG 3.49Å; F578-M808 HydrophobicContact CD1-SD 3.89Å; F578-M808 HydrophobicContact CE1-CG 3.56Å; H582-M808 VanDerWaalsContact CE1-CB 3.43Å; H582-M808 WeakPolarHBondContact CE1-CB 3.21Å; H804-M808 PolarHBondContact O-N 3.16Å; T805-M808 WeakPolarHBondContact O-CB 3.48Å; T805-M808 PolarHBondContact O-N 3.22Å; T805-M808 VanDerWaalsContact O-N 3.11Å; M808-V810 PolarHBondContact O-N 3.26Å; M808-L811 PolarHBondContact O-N 3.39Å; M808-W812 WeakPolarHBondContact O-CB 3.39Å; M808-W812 PolarHBondContact O-N 3.2Å; M808-Q833 HydrophobicContact SD-CG 3.96Å; M808-L880 HydrophobicContact CE-CD1 3.75Å; M808-L880 HydrophobicContact CE-CD2 4.41Å; M808-L880 HydrophobicContact CE-CG 3.72Å; M808-L880 WeakPolarHBondContact CE-O 3.41Å; M808-L880 HydrophobicContact SD-CD1 3.77Å; M808-L880 HydrophobicContact SD-CD2 4.25Å; M808-L880 HydrophobicContact SD-CG 4.04Å; M808-F881 HydrophobicContact CB-CE1 4.06Å; M808-F881 HydrophobicContact CB-CZ 4.35Å; M808-F881 HydrophobicContact CE-CD1 3.7Å; M808-F881 HydrophobicContact CE-CE1 3.38Å; M808-F881 HydrophobicContact CE-CE2 4.41Å; M808-F881 HydrophobicContact CE-CG 4.35Å; M808-F881 HydrophobicContact CE-CZ 3.78Å; M808-F881 WeakPolarHBondContact O-CZ 3.46Å; M808-F881 HydrophobicContact SD-CE1 4.33Å; M808-F881 HydrophobicContact SD-CZ 4.29Å
809	D	98.9	Very high	98.7	Very high	6 Å²	6	6.6 Å²	6.6	3%	0.032	4%	0.038	C	C	.	.	H	α-helix	trans	-58.6	-46.8	178.7	-66.1	-19.3	0	0	0	111.5	H582 K782 H785 V786 T805 T806 G807 A813	H582-D809 IonicContact CD2-OD1 3.2Å; H582-D809 IonicContact CE1-OD1 3.84Å; H582-D809 IonicContact NE2-OD1 3.97Å; H582-D809 PolarHBondContact NE2-OD1 3.43Å; K782-D809 IonicContact NZ-OD1 3.21Å; K782-D809 PolarHBondContact NZ-OD1 3.13Å; K782-D809 IonicContact NZ-OD2 2.65Å; K782-D809 PolarHBondContact NZ-OD2 3.01Å; H785-D809 IonicContact CD2-OD2 3.8Å; H785-D809 PolarHBondContact CD2-OD2 3.38Å; H785-D809 IonicContact NE2-OD2 3.12Å; V786-D809 HydrophobicContact CG2-CB 3.93Å; T805-D809 PolarHBondContact O-N 3.35Å; T806-D809 PolarHBondContact O-N 2.99Å; G807-D809 VanDerWaalsContact C-N 3.35Å; G807-D809 PolarHBondContact O-N 3.46Å; D809-A813 PolarHBondContact O-N 3.47Å
810	V	98.8	Very high	98.7	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.024	4%	0.039	C	C	.	.	H	α-helix	trans	-75.5	-35.5	-177.6	71.9	0	0	0	0	113.1	C795 T806 G807 M808 W812 A813 G814 T815 M817	C795-V810 HydrophobicContact CB-CB 4.47Å; C795-V810 HydrophobicContact CB-CG1 4.1Å; C795-V810 HydrophobicContact CB-CG2 3.67Å; T806-V810 WeakPolarHBondContact O-CG1 3.3Å; T806-V810 PolarHBondContact O-N 3.39Å; T806-V810 VanDerWaalsContact O-N 3.09Å; G807-V810 VanDerWaalsContact O-CG1 3.29Å; G807-V810 WeakPolarHBondContact O-CG1 3.35Å; G807-V810 PolarHBondContact O-N 3.44Å; M808-V810 PolarHBondContact O-N 3.26Å; V810-W812 VanDerWaalsContact C-N 3.34Å; V810-A813 WeakPolarHBondContact O-CB 3.18Å; V810-A813 PolarHBondContact O-N 3.02Å; V810-G814 PolarHBondContact O-N 3.31Å; V810-T815 HydrophobicContact CG2-CG2 3.65Å; V810-T815 PolarHBondContact O-N 2.99Å; V810-T815 VanDerWaalsContact O-N 3.12Å; V810-M817 HydrophobicContact CG1-CB 4.37Å; V810-M817 HydrophobicContact CG1-SD 4.1Å
811	L	98.9	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-67.7	-35.2	174.4	-67.6	176.5	0	0	0	111.5	G807 M808 A813 G814 M817 Q833 L834 L837 V871 L880 F881	G807-L811 WeakPolarHBondContact O-CB 3.45Å; G807-L811 WeakPolarHBondContact O-CG 3.34Å; G807-L811 PolarHBondContact O-N 2.86Å; M808-L811 PolarHBondContact O-N 3.39Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.22Å; L811-G814 WeakPolarHBondContact O-CA 3.22Å; L811-G814 PolarHBondContact O-N 3Å; L811-M817 HydrophobicContact CD1-CE 4.24Å; L811-M817 HydrophobicContact CD2-CB 4.22Å; L811-Q833 HydrophobicContact CD1-CB 4.16Å; L811-L834 HydrophobicContact CD2-CD2 4Å; L811-L837 HydrophobicContact CD1-CD2 4.3Å; L811-L837 HydrophobicContact CD2-CD2 3.8Å; L811-L837 HydrophobicContact CG-CD2 4.49Å; L811-V871 HydrophobicContact CD2-CG1 4.19Å; L811-L880 HydrophobicContact CD1-CD2 3.85Å; L811-F881 HydrophobicContact CB-CE2 4.3Å; L811-F881 HydrophobicContact CB-CZ 4.15Å
812	W	98.9	Very high	98.6	Very high	1 Å²	1	8.3 Å²	8.3	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-64.7	-35.8	174.2	-171.6	-111.5	0	0	0	112.6	H582 A583 F586 K590 V786 M808 V810 G814 R875 I876 F881	H582-W812 HydrophobicContact CB-CB 4.03Å; H582-W812 HydrophobicContact CB-CD2 3.48Å; H582-W812 VanDerWaalsContact CB-CD2 3.48Å; H582-W812 HydrophobicContact CB-CE3 3.94Å; H582-W812 HydrophobicContact CB-CG 3.5Å; H582-W812 WeakPolarHBondContact O-CZ2 3.32Å; A583-W812 VanDerWaalsContact CA-CH2 3.45Å; A583-W812 HydrophobicContact CB-CH2 3.71Å; A583-W812 HydrophobicContact CB-CZ2 4.36Å; A583-W812 HydrophobicContact CB-CZ3 4.2Å; F586-W812 PolarHBondContact O-NE1 3.26Å; K590-W812 HydrophobicContact CG-CH2 4.09Å; K590-W812 HydrophobicContact CG-CZ2 3.84Å; V786-W812 HydrophobicContact CG1-CB 4.44Å; M808-W812 WeakPolarHBondContact O-CB 3.39Å; M808-W812 PolarHBondContact O-N 3.2Å; V810-W812 VanDerWaalsContact C-N 3.34Å; W812-G814 PolarHBondContact O-N 2.84Å; W812-R875 HydrophobicContact CE3-CB 4.49Å; W812-R875 WeakPolarHBondContact O-CD 3.33Å; W812-R875 PolarHBondContact O-NH1 3.3Å; W812-I876 HydrophobicContact CH2-CD1 3.67Å; W812-I876 HydrophobicContact CZ3-CD1 3.86Å; W812-F881 HydrophobicContact CB-CE1 4.09Å; W812-F881 HydrophobicContact CB-CZ 3.97Å; W812-F881 HydrophobicContact CE3-CB 4.22Å; W812-F881 AromaticContact CE3-CD1 3.77Å; W812-F881 HydrophobicContact CE3-CD1 3.77Å; W812-F881 AromaticContact CE3-CD2 3.79Å; W812-F881 HydrophobicContact CE3-CD2 3.79Å; W812-F881 AromaticContact CE3-CE1 3.99Å; W812-F881 HydrophobicContact CE3-CE1 3.99Å; W812-F881 HydrophobicContact CE3-CE2 4.02Å; W812-F881 AromaticContact CE3-CG 3.66Å; W812-F881 HydrophobicContact CE3-CG 3.66Å; W812-F881 HydrophobicContact CE3-CZ 4.12Å; W812-F881 HydrophobicContact CZ3-CB 3.87Å; W812-F881 HydrophobicContact CZ3-CD1 4.27Å; W812-F881 HydrophobicContact CZ3-CD2 4.09Å; W812-F881 AromaticContact CZ3-CG 3.83Å; W812-F881 HydrophobicContact CZ3-CG 3.83Å
813	A	98.8	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.5	172.1	0	0	0	0	0	113.3	Q790 D809 V810 L811	Q790-A813 HydrophobicContact CG-CB 3.89Å; Q790-A813 WeakPolarHBondContact CG-O 3Å; D809-A813 PolarHBondContact O-N 3.47Å; V810-A813 WeakPolarHBondContact O-CB 3.18Å; V810-A813 PolarHBondContact O-N 3.02Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.22Å
814	G	98.4	Very high	98.6	Very high	3 Å²	3	15 Å²	15	3%	0.031	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	16.5	-177.2	0	0	0	0	0	114.3	V810 L811 W812	V810-G814 PolarHBondContact O-N 3.31Å; L811-G814 WeakPolarHBondContact O-CA 3.22Å; L811-G814 PolarHBondContact O-N 3Å; W812-G814 PolarHBondContact O-N 2.84Å
815	T	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.			trans	-93.7	121.4	-177.6	-68.5	0	0	0	0	109.4	G789 A792 C795 V810	G789-T815 PolarHBondContact O-OG1 3.29Å; A792-T815 HydrophobicContact CB-CG2 4.07Å; C795-T815 HydrophobicContact CB-CG2 4.32Å; V810-T815 HydrophobicContact CG2-CG2 3.65Å; V810-T815 PolarHBondContact O-N 2.99Å; V810-T815 VanDerWaalsContact O-N 3.12Å
816	P	98.9	Very high	98.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.			trans	-57.4	138.9	176	-24	33.3	0	0	0	111.5	V794 C795 L842 V867 R868 V871	V794-P816 CarbonylContact C-O 3.58Å; C795-P816 PolarHBondContact N-O 3.39Å; P816-L842 HydrophobicContact CB-CD1 3.82Å; P816-V867 HydrophobicContact CB-CG1 3.83Å; P816-V867 HydrophobicContact CG-CG1 3.76Å; P816-R868 HydrophobicContact CG-CB 4.38Å; P816-R868 HydrophobicContact CG-CG 3.65Å; P816-V871 HydrophobicContact CB-CG2 4.27Å; P816-V871 HydrophobicContact CG-CG2 4.14Å
817	M	98.9	Very high	98.6	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.5	177.6	-179	173.5	61.9	0	0	109.4	C795 D797 V810 L811 A830 L834 L842	C795-M817 HydrophobicContact CB-CB 4.1Å; C795-M817 HydrophobicContact CB-CG 4.16Å; C795-M817 CarbonylContact O-C 3.57Å; C795-M817 WeakPolarHBondContact O-CA 3.48Å; D797-M817 HydrophobicContact CB-CG 3.93Å; D797-M817 HydrophobicContact CB-SD 4.07Å; V810-M817 HydrophobicContact CG1-CB 4.37Å; V810-M817 HydrophobicContact CG1-SD 4.1Å; L811-M817 HydrophobicContact CD1-CE 4.24Å; L811-M817 HydrophobicContact CD2-CB 4.22Å; M817-A830 HydrophobicContact CE-CB 3.56Å; M817-A830 HydrophobicContact SD-CB 4.33Å; M817-L834 HydrophobicContact CE-CD1 4.41Å; M817-L834 HydrophobicContact CE-CG 4.32Å; M817-L834 VanDerWaalsContact O-CD1 3.25Å; M817-L834 WeakPolarHBondContact O-CD1 3.3Å; M817-L842 VanDerWaalsContact O-CB 3.3Å; M817-L842 WeakPolarHBondContact O-CB 3.16Å
818	V	98.9	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.5	172	-175	0	0	0	0	108.1	V794 C795 L796 D797 L842 Y850 I853 L857	V794-V818 HydrophobicContact CG1-CG2 3.84Å; C795-V818 PolarHBondContact O-N 2.84Å; L796-V818 HydrophobicContact CD2-CB 4.4Å; D797-V818 WeakPolarHBondContact CB-O 3.5Å; D797-V818 PolarHBondContact N-O 3.28Å; V818-L842 WeakPolarHBondContact CA-O 3.47Å; V818-L842 HydrophobicContact CG2-CD2 4.4Å; V818-Y850 HydrophobicContact CB-CE2 4.26Å; V818-Y850 HydrophobicContact CG1-CD2 3.73Å; V818-Y850 HydrophobicContact CG1-CE2 3.79Å; V818-Y850 HydrophobicContact CG1-CG 4.23Å; V818-Y850 WeakPolarHBondContact O-CE2 3.2Å; V818-I853 HydrophobicContact CG1-CB 4.19Å; V818-I853 HydrophobicContact CG1-CG2 3.92Å; V818-I853 HydrophobicContact CG2-CG2 3.78Å; V818-L857 HydrophobicContact CG2-CD1 3.66Å
819	T	98.9	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-135	162.5	178.2	-167.5	0	0	0	0	111.5	D797 A830 A831 L834 L842 I843 A844	D797-T819 WeakPolarHBondContact OD2-CB 3.34Å; D797-T819 PolarHBondContact OD2-OG1 3.23Å; T819-A830 HydrophobicContact CG2-CB 4.02Å; T819-A831 HydrophobicContact CG2-CB 4.07Å; T819-L834 HydrophobicContact CG2-CD1 3.59Å; T819-L842 PolarHBondContact N-O 3.31Å; T819-L842 VanDerWaalsContact N-O 3.1Å; T819-I843 HydrophobicContact CG2-CG1 4.48Å; T819-A844 WeakPolarHBondContact O-CB 3.32Å; T819-A844 PolarHBondContact O-N 3.3Å
820	M	98.8	Very high	98.6	Very high	25 Å²	25	13.5 Å²	13.5	12%	0.123	7%	0.074	C	C	.	.			trans	-132.3	98.9	174.4	-177.4	-176.9	71.5	0	0	108	P799 G822 A844 R847 Y850	P799-M820 HydrophobicContact CB-CB 4.26Å; P799-M820 HydrophobicContact CB-CE 3.59Å; P799-M820 HydrophobicContact CG-CB 4.1Å; P799-M820 HydrophobicContact CG-CE 3.86Å; M820-G822 PolarHBondContact O-N 2.89Å; M820-A844 HydrophobicContact CB-CB 4.31Å; M820-R847 HydrophobicContact CE-CG 3.99Å; M820-R847 HydrophobicContact SD-CG 3.92Å; M820-R847 PolarHBondContact SD-N 3.02Å; M820-Y850 HydrophobicContact CB-CD2 3.88Å
821	P	98.8	Very high	98.6	Very high	34 Å²	34	13.5 Å²	13.5	22%	0.221	8%	0.075	C	C	.	.			trans	-60.4	127.7	-178.1	22.3	-33	0	0	0	111.3	S827 R828 A831 I843 A844	P821-S827 VanDerWaalsContact CA-O 3.3Å; P821-S827 WeakPolarHBondContact CA-O 3.4Å; P821-R828 HydrophobicContact CB-CG 4.12Å; P821-A831 HydrophobicContact CB-CB 3.83Å; P821-A831 HydrophobicContact CG-CB 3.94Å; P821-I843 HydrophobicContact CG-CG2 3.83Å; P821-A844 WeakPolarHBondContact CD-O 3.26Å
822	G	97.3	Very high	98.6	Very high	27 Å²	27	13.5 Å²	13.5	28%	0.278	8%	0.075	S	C	.	.			trans	-88.5	-149.8	169.1	0	0	0	0	0	111.9	M820 S827 R828	M820-G822 PolarHBondContact O-N 2.89Å; G822-S827 WeakPolarHBondContact CA-OG 3.35Å; G822-S827 PolarHBondContact N-O 3.33Å; G822-R828 VanDerWaalsContact O-CD 3.27Å; G822-R828 WeakPolarHBondContact O-CD 3.39Å; G822-R828 WeakPolarHBondContact O-CG 3.35Å; G822-R828 PolarHBondContact O-NH1 3.28Å
823	E	96.9	Very high	98.6	Very high	127 Å²	127	13.4 Å²	13.4	59%	0.593	8%	0.075	S	C	*	.	S	Bend	trans	-100.8	-31.1	-179.9	-63	178.3	-143.5	0	0	113.9	H391 Q565	H391-E823 IonicContact CD2-OE2 3.97Å; H391-E823 IonicContact CE1-OE2 3.86Å; H391-E823 IonicContact NE2-OE2 3.9Å; H391-E823 PolarHBondContact NE2-OE2 3.4Å; Q565-E823 PolarHBondContact NE2-O 2.87Å
824	T	98.4	Very high	98.6	Very high	13 Å²	13	13.4 Å²	13.4	8%	0.08	8%	0.075	C	C	.	.	S	Bend	trans	-74	151.5	-179.3	70.9	0	0	0	0	110.9	A826 S827 R828	T824-A826 PolarHBondContact O-N 3.23Å; T824-S827 PolarHBondContact N-OG 3.49Å; T824-S827 PolarHBondContact O-N 3.35Å; T824-S827 PolarHBondContact O-OG 3.35Å; T824-S827 WeakPolarHBondContact OG1-CB 3.25Å; T824-S827 PolarHBondContact OG1-N 3.27Å; T824-S827 PolarHBondContact OG1-OG 3.03Å; T824-R828 WeakPolarHBondContact O-CG 3.18Å; T824-R828 PolarHBondContact O-N 3.41Å
825	L	98.7	Very high	98.6	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-46.8	-51.4	170.8	-170.6	161.1	0	0	0	111.2	P540 I551 T557 Y566 F577 S827 R828 V829	P540-L825 HydrophobicContact CB-CD2 3.83Å; I551-L825 HydrophobicContact CD1-CD1 3.91Å; T557-L825 HydrophobicContact CG2-CD1 4.43Å; T557-L825 HydrophobicContact CG2-CD2 3.96Å; T557-L825 HydrophobicContact CG2-CG 3.61Å; Y566-L825 HydrophobicContact CE1-CB 4.4Å; Y566-L825 HydrophobicContact CE1-CD1 3.96Å; F577-L825 HydrophobicContact CE1-CD2 4.48Å; F577-L825 HydrophobicContact CZ-CD2 4.12Å; L825-S827 PolarHBondContact O-N 3.27Å; L825-S827 VanDerWaalsContact O-N 3.14Å; L825-R828 PolarHBondContact O-N 3.17Å; L825-V829 HydrophobicContact CD2-CG2 3.91Å; L825-V829 WeakPolarHBondContact O-CG2 3.49Å; L825-V829 PolarHBondContact O-N 3.39Å
826	A	98.4	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-61.3	-24.8	-176.2	0	0	0	0	0	114.5	M385 P540 N802 H804 T824	M385-A826 HydrophobicContact CB-CB 4.23Å; M385-A826 HydrophobicContact CG-CB 4.33Å; M385-A826 HydrophobicContact SD-CB 3.37Å; M385-A826 WeakPolarHBondContact SD-CB 3.3Å; P540-A826 HydrophobicContact CB-CB 4.13Å; P540-A826 HydrophobicContact CG-CB 4.48Å; N802-A826 PolarHBondContact N-O 2.93Å; H804-A826 PolarHBondContact NE2-O 3.36Å; T824-A826 PolarHBondContact O-N 3.23Å
827	S	98.8	Very high	98.6	Very high	5 Å²	5	15.9 Å²	15.9	4%	0.035	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-97.1	6.2	178.2	60.8	0	0	0	0	114	P799 N802 P821 G822 T824 L825	P799-S827 WeakPolarHBondContact O-CB 3.38Å; N802-S827 PolarHBondContact ND2-O 2.67Å; N802-S827 PolarHBondContact OD1-O 3.27Å; P821-S827 VanDerWaalsContact CA-O 3.3Å; P821-S827 WeakPolarHBondContact CA-O 3.4Å; G822-S827 WeakPolarHBondContact CA-OG 3.35Å; G822-S827 PolarHBondContact N-O 3.33Å; T824-S827 PolarHBondContact N-OG 3.49Å; T824-S827 PolarHBondContact O-N 3.35Å; T824-S827 PolarHBondContact O-OG 3.35Å; T824-S827 WeakPolarHBondContact OG1-CB 3.25Å; T824-S827 PolarHBondContact OG1-N 3.27Å; T824-S827 PolarHBondContact OG1-OG 3.03Å; L825-S827 PolarHBondContact O-N 3.27Å; L825-S827 VanDerWaalsContact O-N 3.14Å
828	R	98.9	Very high	98.6	Very high	39 Å²	39	17.3 Å²	17.3	15%	0.147	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-13.4	179.8	-63.9	-179.1	66.9	81.6	2.7	114.6	E556 T557 N802 P821 G822 T824 L825 A830 A831 S832	E556-R828 VanDerWaalsContact O-CZ 3.23Å; E556-R828 PolarHBondContact O-NE 3.16Å; E556-R828 PolarHBondContact O-NH2 2.89Å; T557-R828 WeakPolarHBondContact O-CD 3.39Å; T557-R828 PolarHBondContact O-NE 3.34Å; N802-R828 WeakPolarHBondContact OD1-CA 3.23Å; N802-R828 PolarHBondContact OD1-N 2.96Å; N802-R828 VanDerWaalsContact OD1-N 3.1Å; P821-R828 HydrophobicContact CB-CG 4.12Å; G822-R828 VanDerWaalsContact O-CD 3.27Å; G822-R828 WeakPolarHBondContact O-CD 3.39Å; G822-R828 WeakPolarHBondContact O-CG 3.35Å; G822-R828 PolarHBondContact O-NH1 3.28Å; T824-R828 WeakPolarHBondContact O-CG 3.18Å; T824-R828 PolarHBondContact O-N 3.41Å; L825-R828 PolarHBondContact O-N 3.17Å; R828-A830 VanDerWaalsContact C-N 3.33Å; R828-A830 PolarHBondContact O-N 3.26Å; R828-A831 WeakPolarHBondContact O-CB 3.27Å; R828-A831 PolarHBondContact O-N 2.96Å; R828-A831 VanDerWaalsContact O-N 3.12Å; R828-S832 PolarHBondContact O-N 3.42Å; R828-S832 VanDerWaalsContact O-N 3.14Å
829	V	98.9	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.3	-43.9	-177.1	179.5	0	0	0	0	112.6	F577 F578 N802 H804 L825 A831 S832 Q833	F577-V829 HydrophobicContact CE1-CG2 4.12Å; F577-V829 HydrophobicContact CZ-CG2 4.29Å; F578-V829 HydrophobicContact CB-CG1 4.44Å; F578-V829 HydrophobicContact CD2-CG1 3.64Å; F578-V829 HydrophobicContact CE2-CG1 4.04Å; F578-V829 HydrophobicContact CG-CG1 3.97Å; N802-V829 PolarHBondContact OD1-N 2.88Å; N802-V829 VanDerWaalsContact OD1-N 3.11Å; H804-V829 VanDerWaalsContact CD2-CB 3.49Å; H804-V829 WeakPolarHBondContact CD2-CB 3.41Å; L825-V829 HydrophobicContact CD2-CG2 3.91Å; L825-V829 WeakPolarHBondContact O-CG2 3.49Å; L825-V829 PolarHBondContact O-N 3.39Å; V829-A831 VanDerWaalsContact C-N 3.3Å; V829-A831 PolarHBondContact O-N 3.37Å; V829-S832 WeakPolarHBondContact O-CB 3.42Å; V829-S832 PolarHBondContact O-N 3.49Å; V829-Q833 HydrophobicContact CG1-CG 4.34Å; V829-Q833 WeakPolarHBondContact O-CG 3.47Å; V829-Q833 PolarHBondContact O-N 3.01Å
830	A	98.9	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-35.1	-178.7	0	0	0	0	0	112.4	D797 N802 M817 T819 R828 Q833 L834	D797-A830 WeakPolarHBondContact OD2-CB 3.49Å; N802-A830 HydrophobicContact CB-CB 3.71Å; N802-A830 PolarHBondContact OD1-N 3.27Å; M817-A830 HydrophobicContact CE-CB 3.56Å; M817-A830 HydrophobicContact SD-CB 4.33Å; T819-A830 HydrophobicContact CG2-CB 4.02Å; R828-A830 VanDerWaalsContact C-N 3.33Å; R828-A830 PolarHBondContact O-N 3.26Å; A830-Q833 PolarHBondContact O-N 3.29Å; A830-L834 WeakPolarHBondContact O-CB 3.05Å; A830-L834 VanDerWaalsContact O-CG 3.27Å; A830-L834 WeakPolarHBondContact O-CG 3.17Å; A830-L834 PolarHBondContact O-N 2.88Å
831	A	98.9	Very high	98.5	Very high	4 Å²	4	24 Å²	24	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-39.2	175.6	0	0	0	0	0	111.3	T819 P821 R828 V829 L834 T835 I843	T819-A831 HydrophobicContact CG2-CB 4.07Å; P821-A831 HydrophobicContact CB-CB 3.83Å; P821-A831 HydrophobicContact CG-CB 3.94Å; R828-A831 WeakPolarHBondContact O-CB 3.27Å; R828-A831 PolarHBondContact O-N 2.96Å; R828-A831 VanDerWaalsContact O-N 3.12Å; V829-A831 VanDerWaalsContact C-N 3.3Å; V829-A831 PolarHBondContact O-N 3.37Å; A831-L834 PolarHBondContact O-N 3.09Å; A831-T835 WeakPolarHBondContact O-CB 3.33Å; A831-T835 PolarHBondContact O-N 3.3Å; A831-T835 PolarHBondContact O-OG1 3.26Å; A831-I843 HydrophobicContact CB-CD1 4.23Å; A831-I843 HydrophobicContact CB-CG2 3.97Å; A831-I843 WeakPolarHBondContact O-CD1 3.38Å
832	S	98.9	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-45.3	173.4	-179.7	0	0	0	0	111.9	D554 T557 T576 R828 V829 L834 T835 C836	D554-S832 PolarHBondContact OD1-OG 3.23Å; D554-S832 PolarHBondContact OD2-OG 2.91Å; T557-S832 WeakPolarHBondContact OG1-CB 3.17Å; T557-S832 PolarHBondContact OG1-OG 2.88Å; T576-S832 WeakPolarHBondContact CB-OG 3.18Å; T576-S832 PolarHBondContact OG1-OG 3.38Å; R828-S832 PolarHBondContact O-N 3.42Å; R828-S832 VanDerWaalsContact O-N 3.14Å; V829-S832 WeakPolarHBondContact O-CB 3.42Å; V829-S832 PolarHBondContact O-N 3.49Å; S832-L834 PolarHBondContact O-N 3.36Å; S832-T835 PolarHBondContact O-N 3.19Å; S832-C836 PolarHBondContact O-N 3.4Å
833	Q	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.2	-47.3	174.1	-68.8	169.1	-4.6	0	0	111.9	F578 H804 M808 L811 V829 A830 T835 C836 L837 L880	F578-Q833 HydrophobicContact CB-CG 4.27Å; H804-Q833 PolarHBondContact O-NE2 3.01Å; M808-Q833 HydrophobicContact SD-CG 3.96Å; L811-Q833 HydrophobicContact CD1-CB 4.16Å; V829-Q833 HydrophobicContact CG1-CG 4.34Å; V829-Q833 WeakPolarHBondContact O-CG 3.47Å; V829-Q833 PolarHBondContact O-N 3.01Å; A830-Q833 PolarHBondContact O-N 3.29Å; Q833-T835 VanDerWaalsContact C-N 3.35Å; Q833-C836 PolarHBondContact O-N 3.17Å; Q833-L837 WeakPolarHBondContact O-CB 3.47Å; Q833-L837 PolarHBondContact O-N 3.06Å; Q833-L880 HydrophobicContact CB-CD1 4.24Å; Q833-L880 HydrophobicContact CG-CD1 4.33Å
834	L	98.9	Very high	98.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68	-33.4	179.5	-72	168.4	0	0	0	112.8	L811 M817 T819 A830 A831 S832 L837 G838 C839 L842 I843	L811-L834 HydrophobicContact CD2-CD2 4Å; M817-L834 HydrophobicContact CE-CD1 4.41Å; M817-L834 HydrophobicContact CE-CG 4.32Å; M817-L834 VanDerWaalsContact O-CD1 3.25Å; M817-L834 WeakPolarHBondContact O-CD1 3.3Å; T819-L834 HydrophobicContact CG2-CD1 3.59Å; A830-L834 WeakPolarHBondContact O-CB 3.05Å; A830-L834 VanDerWaalsContact O-CG 3.27Å; A830-L834 WeakPolarHBondContact O-CG 3.17Å; A830-L834 PolarHBondContact O-N 2.88Å; A831-L834 PolarHBondContact O-N 3.09Å; S832-L834 PolarHBondContact O-N 3.36Å; L834-L837 HydrophobicContact CD2-CD2 4.48Å; L834-L837 PolarHBondContact O-N 3.09Å; L834-G838 PolarHBondContact O-N 2.78Å; L834-C839 HydrophobicContact CD2-CB 4.13Å; L834-C839 PolarHBondContact O-N 3.11Å; L834-L842 HydrophobicContact CD1-CB 4.1Å; L834-L842 HydrophobicContact CD2-CB 4.45Å; L834-L842 HydrophobicContact CD2-CD1 4.08Å; L834-I843 HydrophobicContact CB-CD1 4.06Å; L834-I843 HydrophobicContact CB-CG1 4.07Å; L834-I843 HydrophobicContact CD1-CG1 4.1Å
835	T	98.8	Very high	98.7	Very high	38 Å²	38	24.3 Å²	24.3	23%	0.233	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-47.2	174.3	-60.9	0	0	0	0	110.7	E556 A831 S832 Q833 L837 G838 L840 I843	E556-T835 HydrophobicContact CG-CG2 3.87Å; A831-T835 WeakPolarHBondContact O-CB 3.33Å; A831-T835 PolarHBondContact O-N 3.3Å; A831-T835 PolarHBondContact O-OG1 3.26Å; S832-T835 PolarHBondContact O-N 3.19Å; Q833-T835 VanDerWaalsContact C-N 3.35Å; T835-L837 PolarHBondContact O-N 3.49Å; T835-G838 PolarHBondContact O-N 3.32Å; T835-L840 HydrophobicContact CG2-CD2 3.99Å; T835-I843 WeakPolarHBondContact OG1-CD1 3.4Å
836	C	98.7	Very high	98.7	Very high	15 Å²	15	27.9 Å²	27.9	10%	0.101	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-35.2	173.2	-178	0	0	0	0	112.4	H575 T576 S832 Q833 G838 S878 L880	H575-C836 HydrophobicContact CB-CB 4.4Å; T576-C836 HydrophobicContact CG2-CB 3.63Å; S832-C836 PolarHBondContact O-N 3.4Å; Q833-C836 PolarHBondContact O-N 3.17Å; C836-G838 VanDerWaalsContact C-N 3.27Å; C836-G838 PolarHBondContact O-N 3.22Å; C836-S878 WeakPolarHBondContact O-CB 3.34Å; C836-L880 HydrophobicContact CB-CD1 4.24Å
837	L	98.5	Very high	98.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-73.1	-18	175.3	-166.8	66.2	0	0	0	113.1	L811 Q833 L834 T835 C839 V871 Q874 R875 L880	L811-L837 HydrophobicContact CD1-CD2 4.3Å; L811-L837 HydrophobicContact CD2-CD2 3.8Å; L811-L837 HydrophobicContact CG-CD2 4.49Å; Q833-L837 WeakPolarHBondContact O-CB 3.47Å; Q833-L837 PolarHBondContact O-N 3.06Å; L834-L837 HydrophobicContact CD2-CD2 4.48Å; L834-L837 PolarHBondContact O-N 3.09Å; T835-L837 PolarHBondContact O-N 3.49Å; L837-C839 HydrophobicContact CD2-CB 4.5Å; L837-V871 HydrophobicContact CD2-CG1 4.13Å; L837-V871 HydrophobicContact CD2-CG2 4.25Å; L837-Q874 VanDerWaalsContact CD1-C 3.43Å; L837-Q874 HydrophobicContact CD1-CB 3.64Å; L837-Q874 HydrophobicContact CG-CB 3.94Å; L837-Q874 VanDerWaalsContact O-CB 3.27Å; L837-Q874 WeakPolarHBondContact O-CB 3.47Å; L837-Q874 WeakPolarHBondContact O-CG 3.14Å; L837-R875 HydrophobicContact CD1-CB 4.36Å; L837-L880 HydrophobicContact CB-CD2 4.16Å; L837-L880 HydrophobicContact CD1-CD2 4.06Å
838	G	98.1	Very high	98.7	Very high	32 Å²	32	39.6 Å²	39.6	33%	0.33	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	24.4	-175.8	0	0	0	0	0	114.5	L834 T835 C836 K870	L834-G838 PolarHBondContact O-N 2.78Å; T835-G838 PolarHBondContact O-N 3.32Å; C836-G838 VanDerWaalsContact C-N 3.27Å; C836-G838 PolarHBondContact O-N 3.22Å; G838-K870 WeakPolarHBondContact O-CE 3.44Å; G838-K870 PolarHBondContact O-NZ 3.42Å
839	C	98.3	Very high	98.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.			trans	-109.2	53.9	-177	-74.1	0	0	0	0	112.8	L834 L837 E841 L842	L834-C839 HydrophobicContact CD2-CB 4.13Å; L834-C839 PolarHBondContact O-N 3.11Å; L837-C839 HydrophobicContact CD2-CB 4.5Å; C839-E841 VanDerWaalsContact C-OE2 3.29Å; C839-E841 WeakPolarHBondContact CA-OE2 3.42Å; C839-E841 PolarHBondContact O-N 3.25Å; C839-L842 HydrophobicContact CB-CD1 4Å; C839-L842 HydrophobicContact CB-CG 4.42Å; C839-L842 PolarHBondContact O-N 2.96Å; C839-L842 VanDerWaalsContact O-N 3.16Å
840	L	98.4	Very high	98.7	Very high	107 Å²	107	40.7 Å²	40.7	56%	0.56	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-60.1	-27.4	-177.5	-59.2	177.6	0	0	0	113.7	T835 L842 I843	T835-L840 HydrophobicContact CG2-CD2 3.99Å; L840-L842 PolarHBondContact O-N 3.47Å; L840-I843 HydrophobicContact CD2-CD1 4.08Å; L840-I843 PolarHBondContact O-N 3.03Å; L840-I843 VanDerWaalsContact O-N 3.14Å
841	E	98.6	Very high	98.7	Very high	58 Å²	58	41.5 Å²	41.5	27%	0.271	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-65.9	-5.5	177.9	68.4	-88.4	-150.9	0	0	114.5	C839 K870	C839-E841 VanDerWaalsContact C-OE2 3.29Å; C839-E841 WeakPolarHBondContact CA-OE2 3.42Å; C839-E841 PolarHBondContact O-N 3.25Å; E841-K870 VanDerWaalsContact CD-NZ 3.25Å; E841-K870 WeakPolarHBondContact OE1-CD 3.29Å; E841-K870 IonicContact OE1-NZ 3.58Å; E841-K870 PolarHBondContact OE1-NZ 3.22Å; E841-K870 IonicContact OE2-NZ 3.64Å; E841-K870 PolarHBondContact OE2-NZ 3.36Å
842	L	98.9	Very high	98.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-103.8	1.9	178	-59.9	179.9	0	0	0	113.4	P816 M817 V818 T819 L834 C839 L840 I853 L857 V867	P816-L842 HydrophobicContact CB-CD1 3.82Å; M817-L842 VanDerWaalsContact O-CB 3.3Å; M817-L842 WeakPolarHBondContact O-CB 3.16Å; V818-L842 WeakPolarHBondContact CA-O 3.47Å; V818-L842 HydrophobicContact CG2-CD2 4.4Å; T819-L842 PolarHBondContact N-O 3.31Å; T819-L842 VanDerWaalsContact N-O 3.1Å; L834-L842 HydrophobicContact CD1-CB 4.1Å; L834-L842 HydrophobicContact CD2-CB 4.45Å; L834-L842 HydrophobicContact CD2-CD1 4.08Å; C839-L842 HydrophobicContact CB-CD1 4Å; C839-L842 HydrophobicContact CB-CG 4.42Å; C839-L842 PolarHBondContact O-N 2.96Å; C839-L842 VanDerWaalsContact O-N 3.16Å; L840-L842 PolarHBondContact O-N 3.47Å; L842-I853 HydrophobicContact CD2-CG2 4.15Å; L842-L857 HydrophobicContact CD2-CD1 3.78Å; L842-V867 HydrophobicContact CD1-CG1 4.06Å; L842-V867 HydrophobicContact CD2-CG1 4Å; L842-V867 HydrophobicContact CG-CG1 4.37Å
843	I	98.9	Very high	98.7	Very high	31 Å²	31	45.3 Å²	45.3	16%	0.159	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-103.6	106.7	-177.7	-52.5	176.9	0	0	0	108.5	T819 P821 A831 L834 T835 L840	T819-I843 HydrophobicContact CG2-CG1 4.48Å; P821-I843 HydrophobicContact CG-CG2 3.83Å; A831-I843 HydrophobicContact CB-CD1 4.23Å; A831-I843 HydrophobicContact CB-CG2 3.97Å; A831-I843 WeakPolarHBondContact O-CD1 3.38Å; L834-I843 HydrophobicContact CB-CD1 4.06Å; L834-I843 HydrophobicContact CB-CG1 4.07Å; L834-I843 HydrophobicContact CD1-CG1 4.1Å; T835-I843 WeakPolarHBondContact OG1-CD1 3.4Å; L840-I843 HydrophobicContact CD2-CD1 4.08Å; L840-I843 PolarHBondContact O-N 3.03Å; L840-I843 VanDerWaalsContact O-N 3.14Å
844	A	98.9	Very high	98.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.			trans	-84.8	142.4	178.9	0	0	0	0	0	112	T819 M820 P821 E849 Y850 I853	T819-A844 WeakPolarHBondContact O-CB 3.32Å; T819-A844 PolarHBondContact O-N 3.3Å; M820-A844 HydrophobicContact CB-CB 4.31Å; P821-A844 WeakPolarHBondContact CD-O 3.26Å; A844-E849 HydrophobicContact CB-CB 4.13Å; A844-E849 HydrophobicContact CB-CG 4.16Å; A844-Y850 VanDerWaalsContact CB-CA 3.42Å; A844-Y850 HydrophobicContact CB-CD2 4.37Å; A844-Y850 VanDerWaalsContact CB-N 3.29Å; A844-I853 HydrophobicContact CB-CD1 4.09Å
845	K	98.6	Very high	98.7	Very high	176 Å²	176	46 Å²	46	77%	0.765	23%	0.228	S	C	*	.	S	Bend	trans	-87.7	-19.1	176.7	-59.4	169.7	-175.6	171.2	0	113	E849	K845-E849 VanDerWaalsContact CB-OE2 3.22Å; K845-E849 WeakPolarHBondContact CB-OE2 3.34Å; K845-E849 WeakPolarHBondContact CG-OE2 3.27Å; K845-E849 PolarHBondContact N-OE2 3.25Å
846	N	98.7	Very high	98.7	Very high	79 Å²	79	48.7 Å²	48.7	42%	0.422	24%	0.237	S	C	.	.	S	Bend	trans	-155.9	172	-178.4	61.4	67.6	0	0	0	110.7	Q848 E849 Y850	N846-Q848 VanDerWaalsContact C-N 3.31Å; N846-Q848 PolarHBondContact O-N 3.33Å; N846-Q848 WeakPolarHBondContact OD1-CB 3.45Å; N846-Q848 PolarHBondContact OD1-N 3.22Å; N846-Q848 VanDerWaalsContact OD1-N 3.09Å; N846-E849 PolarHBondContact O-N 2.94Å; N846-E849 PolarHBondContact OD1-N 3.46Å; N846-Y850 PolarHBondContact O-N 2.85Å
847	R	98.8	Very high	98.7	Very high	146 Å²	146	48 Å²	48	55%	0.551	23%	0.232	S	C	*	.	H	α-helix	trans	-60.1	-38.2	-175.8	-65.9	-171.1	-101.8	-90.3	-1.7	113.1	M734 M820 Y850 E851	M734-R847 HydrophobicContact CG-CB 4.3Å; M734-R847 HydrophobicContact CG-CG 4.38Å; M734-R847 HydrophobicContact SD-CB 3.63Å; M734-R847 HydrophobicContact SD-CG 3.51Å; M734-R847 VanDerWaalsContact SD-CG 3.51Å; M820-R847 HydrophobicContact CE-CG 3.99Å; M820-R847 HydrophobicContact SD-CG 3.92Å; M820-R847 PolarHBondContact SD-N 3.02Å; R847-Y850 WeakPolarHBondContact O-CB 3.45Å; R847-Y850 PolarHBondContact O-N 2.86Å; R847-E851 WeakPolarHBondContact O-CG 3.1Å; R847-E851 PolarHBondContact O-N 2.84Å
848	Q	98.8	Very high	98.7	Very high	105 Å²	105	48.2 Å²	48.2	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-66.1	-46.5	179.8	-175.4	59.6	55.6	0	0	110.9	N846 Y850 E851 D852	N846-Q848 VanDerWaalsContact C-N 3.31Å; N846-Q848 PolarHBondContact O-N 3.33Å; N846-Q848 WeakPolarHBondContact OD1-CB 3.45Å; N846-Q848 PolarHBondContact OD1-N 3.22Å; N846-Q848 VanDerWaalsContact OD1-N 3.09Å; Q848-Y850 VanDerWaalsContact C-N 3.3Å; Q848-Y850 PolarHBondContact O-N 3.33Å; Q848-E851 PolarHBondContact O-N 3.16Å; Q848-D852 PolarHBondContact NE2-OD1 3.46Å; Q848-D852 PolarHBondContact NE2-OD2 3.34Å; Q848-D852 WeakPolarHBondContact O-CB 3.45Å; Q848-D852 PolarHBondContact O-N 2.83Å
849	E	98.9	Very high	98.7	Very high	63 Å²	63	50.7 Å²	50.7	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-36.4	176.6	-172	173	-155.3	0	0	111.9	A844 K845 N846 D852 I853	A844-E849 HydrophobicContact CB-CB 4.13Å; A844-E849 HydrophobicContact CB-CG 4.16Å; K845-E849 VanDerWaalsContact CB-OE2 3.22Å; K845-E849 WeakPolarHBondContact CB-OE2 3.34Å; K845-E849 WeakPolarHBondContact CG-OE2 3.27Å; K845-E849 PolarHBondContact N-OE2 3.25Å; N846-E849 PolarHBondContact O-N 2.94Å; N846-E849 PolarHBondContact OD1-N 3.46Å; E849-D852 PolarHBondContact O-N 3.47Å; E849-I853 HydrophobicContact CG-CD1 3.9Å; E849-I853 HydrophobicContact CG-CG1 4.35Å; E849-I853 WeakPolarHBondContact O-CB 3.43Å; E849-I853 VanDerWaalsContact O-CG1 3.24Å; E849-I853 WeakPolarHBondContact O-CG1 3.2Å; E849-I853 PolarHBondContact O-N 3.1Å
850	Y	98.9	Very high	98.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-48.8	173.9	-179	-81.5	0	0	0	111.3	M734 W735 I738 L796 D797 V818 M820 A844 N846 R847 Q848 A854	M734-Y850 HydrophobicContact CE-CD1 4.22Å; M734-Y850 HydrophobicContact CE-CE1 4.35Å; M734-Y850 HydrophobicContact SD-CD1 4.02Å; M734-Y850 HydrophobicContact SD-CG 4.35Å; W735-Y850 PolarHBondContact NE1-OH 3.46Å; I738-Y850 HydrophobicContact CD1-CD1 4.09Å; I738-Y850 HydrophobicContact CD1-CE1 3.81Å; L796-Y850 VanDerWaalsContact C-OH 3.23Å; L796-Y850 WeakPolarHBondContact CA-OH 3.48Å; L796-Y850 VanDerWaalsContact CB-OH 3.23Å; L796-Y850 WeakPolarHBondContact CB-OH 3.47Å; L796-Y850 HydrophobicContact CD2-CE1 4.37Å; D797-Y850 PolarHBondContact N-OH 2.89Å; D797-Y850 PolarHBondContact O-OH 3.37Å; V818-Y850 HydrophobicContact CB-CE2 4.26Å; V818-Y850 HydrophobicContact CG1-CD2 3.73Å; V818-Y850 HydrophobicContact CG1-CE2 3.79Å; V818-Y850 HydrophobicContact CG1-CG 4.23Å; V818-Y850 WeakPolarHBondContact O-CE2 3.2Å; M820-Y850 HydrophobicContact CB-CD2 3.88Å; A844-Y850 VanDerWaalsContact CB-CA 3.42Å; A844-Y850 HydrophobicContact CB-CD2 4.37Å; A844-Y850 VanDerWaalsContact CB-N 3.29Å; N846-Y850 PolarHBondContact O-N 2.85Å; R847-Y850 WeakPolarHBondContact O-CB 3.45Å; R847-Y850 PolarHBondContact O-N 2.86Å; Q848-Y850 VanDerWaalsContact C-N 3.3Å; Q848-Y850 PolarHBondContact O-N 3.33Å; Y850-A854 WeakPolarHBondContact O-CB 3.35Å; Y850-A854 PolarHBondContact O-N 2.92Å; Y850-A854 VanDerWaalsContact O-N 3.14Å
851	E	98.9	Very high	98.5	Very high	17 Å²	17	53.1 Å²	53.1	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-41.8	176.4	-66.5	-179.3	-164.9	0	0	112	M734 N737 I738 R741 R847 Q848 A854 V855	M734-E851 HydrophobicContact CB-CG 4.18Å; M734-E851 HydrophobicContact CG-CG 4.47Å; N737-E851 VanDerWaalsContact CB-OE2 3.31Å; N737-E851 WeakPolarHBondContact CB-OE2 3.24Å; N737-E851 PolarHBondContact ND2-OE1 3.37Å; I738-E851 HydrophobicContact CD1-CG 4.36Å; I738-E851 HydrophobicContact CG1-CB 4.06Å; I738-E851 HydrophobicContact CG1-CG 4.04Å; R741-E851 IonicContact NH1-OE2 2.6Å; R847-E851 WeakPolarHBondContact O-CG 3.1Å; R847-E851 PolarHBondContact O-N 2.84Å; Q848-E851 PolarHBondContact O-N 3.16Å; E851-A854 PolarHBondContact O-N 2.85Å; E851-V855 WeakPolarHBondContact O-CB 2.84Å; E851-V855 WeakPolarHBondContact O-CG2 3.22Å; E851-V855 PolarHBondContact O-N 3.07Å
852	D	98.9	Very high	98.3	Very high	62 Å²	62	54.8 Å²	54.8	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-41.2	-177.7	-68.1	-23.8	0	0	0	112.5	R741 Q848 E849 K856	R741-D852 IonicContact CZ-OD1 2.75Å; R741-D852 VanDerWaalsContact CZ-OD1 3.25Å; R741-D852 IonicContact NH1-OD1 2.66Å; R741-D852 PolarHBondContact NH1-OD1 3.29Å; R741-D852 IonicContact NH2-OD1 3.56Å; R741-D852 PolarHBondContact NH2-OD1 2.96Å; Q848-D852 PolarHBondContact NE2-OD1 3.46Å; Q848-D852 PolarHBondContact NE2-OD2 3.34Å; Q848-D852 WeakPolarHBondContact O-CB 3.45Å; Q848-D852 PolarHBondContact O-N 2.83Å; E849-D852 PolarHBondContact O-N 3.47Å; D852-K856 VanDerWaalsContact O-CB 3.24Å; D852-K856 WeakPolarHBondContact O-CB 3.39Å; D852-K856 PolarHBondContact O-N 3.26Å
853	I	98.9	Very high	98.2	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.108	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-49	173.5	-68.5	166.5	0	0	0	109.8	V818 L842 A844 E849 K856 L857	V818-I853 HydrophobicContact CG1-CB 4.19Å; V818-I853 HydrophobicContact CG1-CG2 3.92Å; V818-I853 HydrophobicContact CG2-CG2 3.78Å; L842-I853 HydrophobicContact CD2-CG2 4.15Å; A844-I853 HydrophobicContact CB-CD1 4.09Å; E849-I853 HydrophobicContact CG-CD1 3.9Å; E849-I853 HydrophobicContact CG-CG1 4.35Å; E849-I853 WeakPolarHBondContact O-CB 3.43Å; E849-I853 VanDerWaalsContact O-CG1 3.24Å; E849-I853 WeakPolarHBondContact O-CG1 3.2Å; E849-I853 PolarHBondContact O-N 3.1Å; I853-K856 PolarHBondContact O-N 3.26Å; I853-L857 HydrophobicContact CG2-CD1 3.97Å; I853-L857 WeakPolarHBondContact O-CG 3.13Å; I853-L857 PolarHBondContact O-N 3.38Å
854	A	98.9	Very high	98.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-49.3	179.4	0	0	0	0	0	111.7	Y718 I738 L796 Y850 E851 K856 L857 G858	Y718-A854 HydrophobicContact CE1-CB 4.32Å; Y718-A854 PolarHBondContact OH-O 3.23Å; I738-A854 HydrophobicContact CD1-CB 3.56Å; I738-A854 HydrophobicContact CG1-CB 3.93Å; I738-A854 HydrophobicContact CG2-CB 4.02Å; L796-A854 HydrophobicContact CD2-CB 3.7Å; Y850-A854 WeakPolarHBondContact O-CB 3.35Å; Y850-A854 PolarHBondContact O-N 2.92Å; Y850-A854 VanDerWaalsContact O-N 3.14Å; E851-A854 PolarHBondContact O-N 2.85Å; A854-K856 VanDerWaalsContact C-N 3.33Å; A854-K856 PolarHBondContact O-N 3.36Å; A854-L857 WeakPolarHBondContact O-CB 3.4Å; A854-L857 PolarHBondContact O-N 2.94Å; A854-L857 VanDerWaalsContact O-N 3.17Å; A854-G858 PolarHBondContact O-N 3.08Å
855	V	98.9	Very high	98	Very high	14 Å²	14	60.1 Å²	60.1	9%	0.085	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-39	179.2	170	0	0	0	0	111.5	I738 R741 V742 E851 G858 T859	I738-V855 HydrophobicContact CB-CG2 4.39Å; I738-V855 HydrophobicContact CG1-CG2 4.33Å; I738-V855 HydrophobicContact CG2-CG2 4.2Å; R741-V855 HydrophobicContact CB-CG1 4.11Å; R741-V855 HydrophobicContact CB-CG2 3.65Å; R741-V855 HydrophobicContact CG-CG2 4.47Å; V742-V855 HydrophobicContact CG2-CB 4.27Å; V742-V855 HydrophobicContact CG2-CG1 4.11Å; V742-V855 HydrophobicContact CG2-CG2 4.09Å; E851-V855 WeakPolarHBondContact O-CB 2.84Å; E851-V855 WeakPolarHBondContact O-CG2 3.22Å; E851-V855 PolarHBondContact O-N 3.07Å; V855-G858 CarbonylContact O-C 3.4Å; V855-G858 PolarHBondContact O-N 3.34Å; V855-G858 VanDerWaalsContact O-N 3.16Å; V855-T859 HydrophobicContact CG1-CG2 4.38Å; V855-T859 WeakPolarHBondContact O-CB 3.45Å; V855-T859 WeakPolarHBondContact O-CG2 3.4Å; V855-T859 PolarHBondContact O-N 2.87Å; V855-T859 PolarHBondContact O-OG1 2.96Å
856	K	98.8	Very high	97.8	Very high	95 Å²	95	56 Å²	56	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-46	174.5	-176.3	178.1	180	178.8	0	111	D852 I853 A854 G858 T859 D860 Y863	D852-K856 VanDerWaalsContact O-CB 3.24Å; D852-K856 WeakPolarHBondContact O-CB 3.39Å; D852-K856 PolarHBondContact O-N 3.26Å; I853-K856 PolarHBondContact O-N 3.26Å; A854-K856 VanDerWaalsContact C-N 3.33Å; A854-K856 PolarHBondContact O-N 3.36Å; K856-G858 VanDerWaalsContact C-N 3.25Å; K856-G858 PolarHBondContact O-N 3.29Å; K856-T859 PolarHBondContact O-N 3.29Å; K856-D860 HydrophobicContact CG-CB 4.42Å; K856-D860 WeakPolarHBondContact O-CB 3.4Å; K856-D860 PolarHBondContact O-N 3Å; K856-Y863 HydrophobicContact CD-CD1 4Å; K856-Y863 HydrophobicContact CD-CE1 3.9Å; K856-Y863 HydrophobicContact CG-CD1 3.85Å; K856-Y863 HydrophobicContact CG-CE1 4.14Å
857	L	98.8	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-29.6	175.3	-69.6	163.4	0	0	0	112.8	V794 V818 L842 I853 A854 Y863 L864 V867	V794-L857 HydrophobicContact CG1-CD1 3.99Å; V794-L857 HydrophobicContact CG2-CB 3.68Å; V794-L857 HydrophobicContact CG2-CD1 4.12Å; V794-L857 HydrophobicContact CG2-CG 4.4Å; V818-L857 HydrophobicContact CG2-CD1 3.66Å; L842-L857 HydrophobicContact CD2-CD1 3.78Å; I853-L857 HydrophobicContact CG2-CD1 3.97Å; I853-L857 WeakPolarHBondContact O-CG 3.13Å; I853-L857 PolarHBondContact O-N 3.38Å; A854-L857 WeakPolarHBondContact O-CB 3.4Å; A854-L857 PolarHBondContact O-N 2.94Å; A854-L857 VanDerWaalsContact O-N 3.17Å; L857-Y863 HydrophobicContact CD2-CD1 3.79Å; L857-Y863 HydrophobicContact CD2-CE1 3.73Å; L857-Y863 HydrophobicContact CG-CD1 4.35Å; L857-Y863 HydrophobicContact CG-CE1 4.16Å; L857-L864 HydrophobicContact CB-CD1 4.31Å; L857-L864 HydrophobicContact CD2-CD1 4.13Å; L857-L864 WeakPolarHBondContact O-CB 3.4Å; L857-V867 HydrophobicContact CD2-CB 4.04Å; L857-V867 HydrophobicContact CD2-CG1 4.15Å; L857-V867 HydrophobicContact CD2-CG2 4.07Å
858	G	98.5	Very high	97.7	Very high	6 Å²	6	45.8 Å²	45.8	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-84.9	-9.8	176.9	0	0	0	0	0	116.1	I716 Y718 V742 A854 V855 K856	I716-G858 WeakPolarHBondContact CG1-O 3.22Å; Y718-G858 VanDerWaalsContact OH-CA 3.28Å; Y718-G858 WeakPolarHBondContact OH-CA 3.38Å; V742-G858 WeakPolarHBondContact CG1-O 3.09Å; A854-G858 PolarHBondContact O-N 3.08Å; V855-G858 CarbonylContact O-C 3.4Å; V855-G858 PolarHBondContact O-N 3.34Å; V855-G858 VanDerWaalsContact O-N 3.16Å; K856-G858 VanDerWaalsContact C-N 3.25Å; K856-G858 PolarHBondContact O-N 3.29Å
859	T	98.3	Very high	97.6	Very high	84 Å²	84	40.9 Å²	40.9	52%	0.515	20%	0.201	S	C	.	.	H	α-helix	trans	-122.7	-34.9	-175.8	53.5	0	0	0	0	113.1	V742 V855 K856 L861	V742-T859 HydrophobicContact CG1-CG2 4.34Å; V742-T859 HydrophobicContact CG2-CG2 3.97Å; V855-T859 HydrophobicContact CG1-CG2 4.38Å; V855-T859 WeakPolarHBondContact O-CB 3.45Å; V855-T859 WeakPolarHBondContact O-CG2 3.4Å; V855-T859 PolarHBondContact O-N 2.87Å; V855-T859 PolarHBondContact O-OG1 2.96Å; K856-T859 PolarHBondContact O-N 3.29Å; T859-L861 PolarHBondContact O-N 3.16Å
860	D	97.9	Very high	97.5	Very high	70 Å²	70	39.1 Å²	39.1	37%	0.374	19%	0.193	S	C	.	.			trans	-92.8	90.1	173.6	-175.2	-15.6	0	0	0	110.1	K856 E862 Y863 L864	K856-D860 HydrophobicContact CG-CB 4.42Å; K856-D860 WeakPolarHBondContact O-CB 3.4Å; K856-D860 PolarHBondContact O-N 3Å; D860-E862 VanDerWaalsContact C-N 3.27Å; D860-E862 PolarHBondContact O-N 2.9Å; D860-E862 PolarHBondContact OD1-N 3.45Å; D860-Y863 WeakPolarHBondContact O-CB 3.36Å; D860-Y863 PolarHBondContact O-N 3.49Å; D860-Y863 WeakPolarHBondContact OD1-CB 3.4Å; D860-Y863 PolarHBondContact OD1-N 2.92Å; D860-Y863 WeakPolarHBondContact OD2-CB 3.3Å; D860-L864 PolarHBondContact O-N 2.87Å
861	L	94.8	Very high	97.4	Very high	88 Å²	88	39.1 Å²	39.1	46%	0.461	19%	0.193	S	C	.	.	H	α-helix	trans	-65.2	-27.7	-176	-58.7	-176	0	0	0	113.4	I716 T859 L864 K865	I716-L861 HydrophobicContact CD1-CD2 3.95Å; T859-L861 PolarHBondContact O-N 3.16Å; L861-L864 HydrophobicContact CD2-CD2 4.43Å; L861-K865 VanDerWaalsContact O-CB 3.27Å; L861-K865 WeakPolarHBondContact O-CB 3.47Å; L861-K865 PolarHBondContact O-N 2.93Å
862	E	94.3	Very high	97.4	Very high	93 Å²	93	38.9 Å²	38.9	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-74.5	-38.1	175.1	-80.1	-64	121.9	0	0	111.2	K631 D860 K865 K866	K631-E862 IonicContact NZ-OE2 3.04Å; K631-E862 PolarHBondContact NZ-OE2 3.23Å; D860-E862 VanDerWaalsContact C-N 3.27Å; D860-E862 PolarHBondContact O-N 2.9Å; D860-E862 PolarHBondContact OD1-N 3.45Å; E862-K865 PolarHBondContact O-N 3.45Å; E862-K866 WeakPolarHBondContact O-CB 3.44Å; E862-K866 PolarHBondContact O-N 3.05Å
863	Y	96.8	Very high	97.2	Very high	44 Å²	44	39.7 Å²	39.7	17%	0.173	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-46.3	170.8	-175.9	-107.9	0	0	0	111.4	K856 L857 D860 K865 K866 V867	K856-Y863 HydrophobicContact CD-CD1 4Å; K856-Y863 HydrophobicContact CD-CE1 3.9Å; K856-Y863 HydrophobicContact CG-CD1 3.85Å; K856-Y863 HydrophobicContact CG-CE1 4.14Å; L857-Y863 HydrophobicContact CD2-CD1 3.79Å; L857-Y863 HydrophobicContact CD2-CE1 3.73Å; L857-Y863 HydrophobicContact CG-CD1 4.35Å; L857-Y863 HydrophobicContact CG-CE1 4.16Å; D860-Y863 WeakPolarHBondContact O-CB 3.36Å; D860-Y863 PolarHBondContact O-N 3.49Å; D860-Y863 WeakPolarHBondContact OD1-CB 3.4Å; D860-Y863 PolarHBondContact OD1-N 2.92Å; D860-Y863 WeakPolarHBondContact OD2-CB 3.3Å; Y863-K865 VanDerWaalsContact C-N 3.35Å; Y863-K865 PolarHBondContact O-N 3.5Å; Y863-K866 WeakPolarHBondContact O-CB 3.37Å; Y863-K866 PolarHBondContact O-N 3.5Å; Y863-V867 HydrophobicContact CD1-CG2 4.19Å; Y863-V867 HydrophobicContact CD2-CG2 4.34Å; Y863-V867 HydrophobicContact CE1-CG2 3.82Å; Y863-V867 HydrophobicContact CE2-CG2 3.98Å; Y863-V867 HydrophobicContact CG-CG2 4.43Å; Y863-V867 WeakPolarHBondContact O-CG2 3.45Å; Y863-V867 PolarHBondContact O-N 2.95Å
864	L	97.5	Very high	97.1	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-54.3	-50.9	173.9	177.7	62	0	0	0	111.3	I716 D793 V794 L857 D860 L861 K866 V867 R868	I716-L864 HydrophobicContact CD1-CD2 4.01Å; D793-L864 HydrophobicContact CB-CD2 4.15Å; V794-L864 HydrophobicContact CG2-CD1 3.72Å; L857-L864 HydrophobicContact CB-CD1 4.31Å; L857-L864 HydrophobicContact CD2-CD1 4.13Å; L857-L864 WeakPolarHBondContact O-CB 3.4Å; D860-L864 PolarHBondContact O-N 2.87Å; L861-L864 HydrophobicContact CD2-CD2 4.43Å; L864-K866 VanDerWaalsContact C-N 3.3Å; L864-K866 PolarHBondContact O-N 3.05Å; L864-V867 PolarHBondContact O-N 3.26Å; L864-R868 HydrophobicContact CD1-CG 3.94Å; L864-R868 HydrophobicContact CG-CG 4.31Å; L864-R868 WeakPolarHBondContact O-CB 3.32Å; L864-R868 VanDerWaalsContact O-CG 3.29Å; L864-R868 WeakPolarHBondContact O-CG 3.43Å; L864-R868 PolarHBondContact O-N 3.47Å
865	K	94.9	Very high	97	Very high	92 Å²	92	41 Å²	41	40%	0.4	20%	0.197	S	C	.	.	H	α-helix	trans	-57.6	-42	178.4	-175.6	177.3	-177.7	176.5	0	112.2	L861 E862 Y863 G869	L861-K865 VanDerWaalsContact O-CB 3.27Å; L861-K865 WeakPolarHBondContact O-CB 3.47Å; L861-K865 PolarHBondContact O-N 2.93Å; E862-K865 PolarHBondContact O-N 3.45Å; Y863-K865 VanDerWaalsContact C-N 3.35Å; Y863-K865 PolarHBondContact O-N 3.5Å; K865-G869 PolarHBondContact O-N 3.35Å
866	K	95.3	Very high	96.9	Very high	89 Å²	89	44.9 Å²	44.9	39%	0.387	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-47.4	176.4	-179.4	-173.4	176.9	-175.9	0	111.7	P633 E862 Y863 L864 G869 K870	P633-K866 VanDerWaalsContact CB-CE 3.49Å; P633-K866 HydrophobicContact CG-CG 4.09Å; E862-K866 WeakPolarHBondContact O-CB 3.44Å; E862-K866 PolarHBondContact O-N 3.05Å; Y863-K866 WeakPolarHBondContact O-CB 3.37Å; Y863-K866 PolarHBondContact O-N 3.5Å; L864-K866 VanDerWaalsContact C-N 3.3Å; L864-K866 PolarHBondContact O-N 3.05Å; K866-G869 PolarHBondContact O-N 2.99Å; K866-K870 PolarHBondContact O-N 3.34Å
867	V	97.6	Very high	96.8	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-68.9	-42.5	-178.1	175.9	0	0	0	0	111	P816 L842 L857 Y863 L864 G869 K870 V871	P816-V867 HydrophobicContact CB-CG1 3.83Å; P816-V867 HydrophobicContact CG-CG1 3.76Å; L842-V867 HydrophobicContact CD1-CG1 4.06Å; L842-V867 HydrophobicContact CD2-CG1 4Å; L842-V867 HydrophobicContact CG-CG1 4.37Å; L857-V867 HydrophobicContact CD2-CB 4.04Å; L857-V867 HydrophobicContact CD2-CG1 4.15Å; L857-V867 HydrophobicContact CD2-CG2 4.07Å; Y863-V867 HydrophobicContact CD1-CG2 4.19Å; Y863-V867 HydrophobicContact CD2-CG2 4.34Å; Y863-V867 HydrophobicContact CE1-CG2 3.82Å; Y863-V867 HydrophobicContact CE2-CG2 3.98Å; Y863-V867 HydrophobicContact CG-CG2 4.43Å; Y863-V867 WeakPolarHBondContact O-CG2 3.45Å; Y863-V867 PolarHBondContact O-N 2.95Å; L864-V867 PolarHBondContact O-N 3.26Å; V867-G869 VanDerWaalsContact C-N 3.33Å; V867-G869 PolarHBondContact O-N 2.65Å; V867-K870 WeakPolarHBondContact O-CB 3.5Å; V867-K870 PolarHBondContact O-N 2.86Å; V867-K870 VanDerWaalsContact O-N 3.17Å; V867-V871 WeakPolarHBondContact O-CG2 3.42Å; V867-V871 PolarHBondContact O-N 2.97Å
868	R	97.4	Very high	96.7	Very high	9 Å²	9	44.3 Å²	44.3	3%	0.034	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-44.3	172.3	-70.9	179.5	65.3	75.5	-0.7	111.7	D605 A792 D793 P816 L864 K870 V871 W872	D605-R868 IonicContact OD1-CZ 2.76Å; D605-R868 IonicContact OD1-NE 3.62Å; D605-R868 PolarHBondContact OD1-NE 3.25Å; D605-R868 IonicContact OD1-NH2 3.59Å; D605-R868 PolarHBondContact OD1-NH2 3.43Å; D605-R868 IonicContact OD2-CZ 3.66Å; D605-R868 IonicContact OD2-NE 3.63Å; D605-R868 PolarHBondContact OD2-NE 2.66Å; D605-R868 VanDerWaalsContact OD2-NE 3.09Å; D605-R868 IonicContact OD2-NH2 3.08Å; D605-R868 PolarHBondContact OD2-NH2 2.94Å; A792-R868 PolarHBondContact O-NH1 3.43Å; D793-R868 PolarHBondContact O-NH1 3.14Å; P816-R868 HydrophobicContact CG-CB 4.38Å; P816-R868 HydrophobicContact CG-CG 3.65Å; L864-R868 HydrophobicContact CD1-CG 3.94Å; L864-R868 HydrophobicContact CG-CG 4.31Å; L864-R868 WeakPolarHBondContact O-CB 3.32Å; L864-R868 VanDerWaalsContact O-CG 3.29Å; L864-R868 WeakPolarHBondContact O-CG 3.43Å; L864-R868 PolarHBondContact O-N 3.47Å; R868-K870 VanDerWaalsContact C-N 3.34Å; R868-K870 PolarHBondContact O-N 2.9Å; R868-V871 PolarHBondContact O-N 3.17Å; R868-W872 VanDerWaalsContact O-CB 3.29Å; R868-W872 WeakPolarHBondContact O-CB 3.44Å; R868-W872 PolarHBondContact O-N 3.18Å
869	G	95.8	Very high	96.7	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-41.8	174.3	0	0	0	0	0	113	K865 K866 V867 W872 K873	K865-G869 PolarHBondContact O-N 3.35Å; K866-G869 PolarHBondContact O-N 2.99Å; V867-G869 VanDerWaalsContact C-N 3.33Å; V867-G869 PolarHBondContact O-N 2.65Å; G869-W872 PolarHBondContact O-N 3.39Å; G869-K873 PolarHBondContact O-N 3.39Å
870	K	96.6	Very high	96.7	Very high	26 Å²	26	41.4 Å²	41.4	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-52.6	175.4	-170.5	-178	178.2	-178.6	0	111.7	P633 G838 E841 K866 V867 R868 W872 K873 Q874	P633-K870 HydrophobicContact CG-CB 3.82Å; P633-K870 HydrophobicContact CG-CD 3.79Å; P633-K870 HydrophobicContact CG-CG 3.87Å; G838-K870 WeakPolarHBondContact O-CE 3.44Å; G838-K870 PolarHBondContact O-NZ 3.42Å; E841-K870 VanDerWaalsContact CD-NZ 3.25Å; E841-K870 WeakPolarHBondContact OE1-CD 3.29Å; E841-K870 IonicContact OE1-NZ 3.58Å; E841-K870 PolarHBondContact OE1-NZ 3.22Å; E841-K870 IonicContact OE2-NZ 3.64Å; E841-K870 PolarHBondContact OE2-NZ 3.36Å; K866-K870 PolarHBondContact O-N 3.34Å; V867-K870 WeakPolarHBondContact O-CB 3.5Å; V867-K870 PolarHBondContact O-N 2.86Å; V867-K870 VanDerWaalsContact O-N 3.17Å; R868-K870 VanDerWaalsContact C-N 3.34Å; R868-K870 PolarHBondContact O-N 2.9Å; K870-W872 VanDerWaalsContact C-N 3.34Å; K870-W872 PolarHBondContact O-N 3.11Å; K870-K873 PolarHBondContact O-N 3.41Å; K870-Q874 HydrophobicContact CG-CG 4.26Å; K870-Q874 WeakPolarHBondContact O-CB 3.4Å; K870-Q874 WeakPolarHBondContact O-CG 3.29Å; K870-Q874 PolarHBondContact O-N 3.05Å
871	V	98.1	Very high	96.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-45.3	178	173.9	0	0	0	0	110.8	L811 P816 L837 V867 R868 K873 Q874 R875	L811-V871 HydrophobicContact CD2-CG1 4.19Å; P816-V871 HydrophobicContact CB-CG2 4.27Å; P816-V871 HydrophobicContact CG-CG2 4.14Å; L837-V871 HydrophobicContact CD2-CG1 4.13Å; L837-V871 HydrophobicContact CD2-CG2 4.25Å; V867-V871 WeakPolarHBondContact O-CG2 3.42Å; V867-V871 PolarHBondContact O-N 2.97Å; R868-V871 PolarHBondContact O-N 3.17Å; V871-K873 VanDerWaalsContact C-N 3.31Å; V871-K873 PolarHBondContact O-N 3.11Å; V871-Q874 PolarHBondContact O-N 2.94Å; V871-R875 PolarHBondContact O-N 3.4Å
872	W	97.7	Very high	97	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.045	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-37.8	179.7	-176.4	-94.1	0	0	0	113.4	L589 K590 K592 M630 L646 R868 G869 K870 R875	L589-W872 WeakPolarHBondContact O-CH2 3.43Å; K590-W872 WeakPolarHBondContact O-CZ2 3.13Å; K592-W872 HydrophobicContact CB-CH2 4.05Å; K592-W872 HydrophobicContact CB-CZ2 4.47Å; K592-W872 HydrophobicContact CD-CH2 3.83Å; K592-W872 HydrophobicContact CD-CZ2 4.38Å; K592-W872 HydrophobicContact CD-CZ3 4Å; K592-W872 HydrophobicContact CG-CH2 3.73Å; K592-W872 HydrophobicContact CG-CZ2 3.94Å; K592-W872 HydrophobicContact CG-CZ3 4.4Å; M630-W872 HydrophobicContact CE-CB 4.08Å; M630-W872 HydrophobicContact CE-CD2 4.44Å; M630-W872 HydrophobicContact CE-CG 3.8Å; M630-W872 HydrophobicContact SD-CG 4.37Å; L646-W872 VanDerWaalsContact CD2-CD1 3.49Å; R868-W872 VanDerWaalsContact O-CB 3.29Å; R868-W872 WeakPolarHBondContact O-CB 3.44Å; R868-W872 PolarHBondContact O-N 3.18Å; G869-W872 PolarHBondContact O-N 3.39Å; K870-W872 VanDerWaalsContact C-N 3.34Å; K870-W872 PolarHBondContact O-N 3.11Å; W872-R875 VanDerWaalsContact CZ3-NH2 3.32Å; W872-R875 WeakPolarHBondContact O-CG 3.49Å; W872-R875 PolarHBondContact O-NE 3.49Å
873	K	96	Very high	97.2	Very high	79 Å²	79	33.7 Å²	33.7	34%	0.343	17%	0.168	S	C	.	.	H	α-helix	trans	-73.4	-51.8	174	-175.6	180	172.5	-172.9	0	111.3	C632 L646 G869 K870 V871 R875 I876 S877	C632-K873 HydrophobicContact CB-CD 4.23Å; L646-K873 HydrophobicContact CD1-CB 3.43Å; L646-K873 VanDerWaalsContact CD1-CB 3.43Å; L646-K873 HydrophobicContact CD1-CD 4.22Å; L646-K873 HydrophobicContact CD1-CG 3.67Å; G869-K873 PolarHBondContact O-N 3.39Å; K870-K873 PolarHBondContact O-N 3.41Å; V871-K873 VanDerWaalsContact C-N 3.31Å; V871-K873 PolarHBondContact O-N 3.11Å; K873-R875 VanDerWaalsContact C-N 3.32Å; K873-R875 PolarHBondContact O-N 3.48Å; K873-I876 PolarHBondContact O-N 3.28Å; K873-I876 VanDerWaalsContact O-N 3.12Å; K873-S877 PolarHBondContact O-N 3.1Å; K873-S877 PolarHBondContact O-OG 2.94Å
874	Q	96.7	Very high	97.3	Very high	45 Å²	45	35.9 Å²	35.9	21%	0.21	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-26.7	-169.7	-71.6	-66.3	3.2	0	0	113.6	L837 K870 V871 I876 S877 S878	L837-Q874 VanDerWaalsContact CD1-C 3.43Å; L837-Q874 HydrophobicContact CD1-CB 3.64Å; L837-Q874 HydrophobicContact CG-CB 3.94Å; L837-Q874 VanDerWaalsContact O-CB 3.27Å; L837-Q874 WeakPolarHBondContact O-CB 3.47Å; L837-Q874 WeakPolarHBondContact O-CG 3.14Å; K870-Q874 HydrophobicContact CG-CG 4.26Å; K870-Q874 WeakPolarHBondContact O-CB 3.4Å; K870-Q874 WeakPolarHBondContact O-CG 3.29Å; K870-Q874 PolarHBondContact O-N 3.05Å; V871-Q874 PolarHBondContact O-N 2.94Å; Q874-I876 PolarHBondContact O-N 2.93Å; Q874-S877 WeakPolarHBondContact CA-OG 3.49Å; Q874-S877 PolarHBondContact O-N 3.26Å; Q874-S877 PolarHBondContact OE1-OG 3.01Å; Q874-S878 WeakPolarHBondContact O-CA 3.44Å; Q874-S878 WeakPolarHBondContact O-CB 3.15Å; Q874-S878 PolarHBondContact O-N 2.96Å; Q874-S878 PolarHBondContact O-OG 3.29Å
875	R	97.1	Very high	97.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-17.8	174.1	74.2	-172	-179.8	98.6	-11.4	113.6	L589 K590 W812 L837 V871 W872 K873 F881	L589-R875 PolarHBondContact O-NH2 2.99Å; K590-R875 PolarHBondContact O-NH2 2.89Å; K590-R875 VanDerWaalsContact O-NH2 3.15Å; W812-R875 HydrophobicContact CE3-CB 4.49Å; W812-R875 WeakPolarHBondContact O-CD 3.33Å; W812-R875 PolarHBondContact O-NH1 3.3Å; L837-R875 HydrophobicContact CD1-CB 4.36Å; V871-R875 PolarHBondContact O-N 3.4Å; W872-R875 VanDerWaalsContact CZ3-NH2 3.32Å; W872-R875 WeakPolarHBondContact O-CG 3.49Å; W872-R875 PolarHBondContact O-NE 3.49Å; K873-R875 VanDerWaalsContact C-N 3.32Å; K873-R875 PolarHBondContact O-N 3.48Å; R875-F881 HydrophobicContact CB-CD2 4Å; R875-F881 HydrophobicContact CB-CE2 3.95Å; R875-F881 WeakPolarHBondContact O-CD2 3.34Å
876	I	96.6	Very high	97.5	Very high	97 Å²	97	34.4 Å²	34.4	50%	0.497	17%	0.172	S	C	.	.	H	α-helix	trans	-103.5	-40.9	175.7	-52.9	-58.6	0	0	0	111.5	K590 W812 K873 Q874	K590-I876 HydrophobicContact CG-CD1 4.23Å; W812-I876 HydrophobicContact CH2-CD1 3.67Å; W812-I876 HydrophobicContact CZ3-CD1 3.86Å; K873-I876 PolarHBondContact O-N 3.28Å; K873-I876 VanDerWaalsContact O-N 3.12Å; Q874-I876 PolarHBondContact O-N 2.93Å
877	S	95.4	Very high	97.7	Very high	73 Å²	73	30.1 Å²	30.1	51%	0.51	15%	0.154	S	C	.	.	H	α-helix	trans	-85.3	-20	-175.9	56.3	0	0	0	0	114.9	K873 Q874	K873-S877 PolarHBondContact O-N 3.1Å; K873-S877 PolarHBondContact O-OG 2.94Å; Q874-S877 WeakPolarHBondContact CA-OG 3.49Å; Q874-S877 PolarHBondContact O-N 3.26Å; Q874-S877 PolarHBondContact OE1-OG 3.01Å
878	S	97.9	Very high	97.7	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.063	18%	0.177	C	C	.	.	S	Bend	trans	-86.9	166	177.2	75.5	0	0	0	0	111.9	C836 Q874 L880	C836-S878 WeakPolarHBondContact O-CB 3.34Å; Q874-S878 WeakPolarHBondContact O-CA 3.44Å; Q874-S878 WeakPolarHBondContact O-CB 3.15Å; Q874-S878 PolarHBondContact O-N 2.96Å; Q874-S878 PolarHBondContact O-OG 3.29Å; S878-L880 PolarHBondContact O-N 3.25Å; S878-L880 PolarHBondContact OG-N 3.09Å
879	P	98.4	Very high	97.8	Very high	29 Å²	29	35 Å²	35	19%	0.188	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-66.8	-16.4	176.7	-22.3	34.9	0	0	0	115	F881 N882	P879-F881 VanDerWaalsContact C-N 3.28Å; P879-F881 PolarHBondContact O-N 3.26Å; P879-F881 VanDerWaalsContact O-N 3.08Å; P879-N882 PolarHBondContact O-N 3.09Å
880	L	98.7	Very high	97.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.1	-35.2	-164	-176.2	62.8	0	0	0	114.9	T576 M808 L811 Q833 C836 L837 S878	T576-L880 HydrophobicContact CG2-CD1 3.87Å; M808-L880 HydrophobicContact CE-CD1 3.75Å; M808-L880 HydrophobicContact CE-CD2 4.41Å; M808-L880 HydrophobicContact CE-CG 3.72Å; M808-L880 WeakPolarHBondContact CE-O 3.41Å; M808-L880 HydrophobicContact SD-CD1 3.77Å; M808-L880 HydrophobicContact SD-CD2 4.25Å; M808-L880 HydrophobicContact SD-CG 4.04Å; L811-L880 HydrophobicContact CD1-CD2 3.85Å; Q833-L880 HydrophobicContact CB-CD1 4.24Å; Q833-L880 HydrophobicContact CG-CD1 4.33Å; C836-L880 HydrophobicContact CB-CD1 4.24Å; L837-L880 HydrophobicContact CB-CD2 4.16Å; L837-L880 HydrophobicContact CD1-CD2 4.06Å; S878-L880 PolarHBondContact O-N 3.25Å; S878-L880 PolarHBondContact OG-N 3.09Å
881	F	98.8	Very high	98	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.031	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-115.7	14.6	178.1	-63.1	-83.5	0	0	0	112.6	H582 M808 L811 W812 R875 P879 T883	H582-F881 HydrophobicContact CB-CD1 3.89Å; H582-F881 HydrophobicContact CB-CE1 3.96Å; H582-F881 AromaticContact CG-CE1 3.69Å; H582-F881 AromaticContact ND1-CD1 3.83Å; H582-F881 AromaticContact ND1-CE1 3.53Å; M808-F881 HydrophobicContact CB-CE1 4.06Å; M808-F881 HydrophobicContact CB-CZ 4.35Å; M808-F881 HydrophobicContact CE-CD1 3.7Å; M808-F881 HydrophobicContact CE-CE1 3.38Å; M808-F881 HydrophobicContact CE-CE2 4.41Å; M808-F881 HydrophobicContact CE-CG 4.35Å; M808-F881 HydrophobicContact CE-CZ 3.78Å; M808-F881 WeakPolarHBondContact O-CZ 3.46Å; M808-F881 HydrophobicContact SD-CE1 4.33Å; M808-F881 HydrophobicContact SD-CZ 4.29Å; L811-F881 HydrophobicContact CB-CE2 4.3Å; L811-F881 HydrophobicContact CB-CZ 4.15Å; W812-F881 HydrophobicContact CB-CE1 4.09Å; W812-F881 HydrophobicContact CB-CZ 3.97Å; W812-F881 HydrophobicContact CE3-CB 4.22Å; W812-F881 AromaticContact CE3-CD1 3.77Å; W812-F881 HydrophobicContact CE3-CD1 3.77Å; W812-F881 AromaticContact CE3-CD2 3.79Å; W812-F881 HydrophobicContact CE3-CD2 3.79Å; W812-F881 AromaticContact CE3-CE1 3.99Å; W812-F881 HydrophobicContact CE3-CE1 3.99Å; W812-F881 HydrophobicContact CE3-CE2 4.02Å; W812-F881 AromaticContact CE3-CG 3.66Å; W812-F881 HydrophobicContact CE3-CG 3.66Å; W812-F881 HydrophobicContact CE3-CZ 4.12Å; W812-F881 HydrophobicContact CZ3-CB 3.87Å; W812-F881 HydrophobicContact CZ3-CD1 4.27Å; W812-F881 HydrophobicContact CZ3-CD2 4.09Å; W812-F881 AromaticContact CZ3-CG 3.83Å; W812-F881 HydrophobicContact CZ3-CG 3.83Å; R875-F881 HydrophobicContact CB-CD2 4Å; R875-F881 HydrophobicContact CB-CE2 3.95Å; R875-F881 WeakPolarHBondContact O-CD2 3.34Å; P879-F881 VanDerWaalsContact C-N 3.28Å; P879-F881 PolarHBondContact O-N 3.26Å; P879-F881 VanDerWaalsContact O-N 3.08Å; F881-T883 PolarHBondContact O-N 3.18Å
882	N	98.8	Very high	98.1	Very high	67 Å²	67	40.7 Å²	40.7	36%	0.358	20%	0.199	S	C	.	.			trans	-92.2	84	178.3	-171.4	-15.3	0	0	0	110	P879 K884 Q885 Y886	P879-N882 PolarHBondContact O-N 3.09Å; N882-K884 PolarHBondContact O-N 3.44Å; N882-K884 PolarHBondContact OD1-N 2.98Å; N882-Q885 HydrophobicContact CB-CB 4.12Å; N882-Q885 PolarHBondContact ND2-OE1 3.31Å; N882-Q885 PolarHBondContact O-N 3.21Å; N882-Q885 PolarHBondContact OD1-N 3.38Å; N882-Q885 VanDerWaalsContact OD1-N 3.11Å; N882-Y886 WeakPolarHBondContact O-CB 3.45Å; N882-Y886 PolarHBondContact O-N 3.11Å
883	T	98.8	Very high	98.1	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-31.7	-178.8	46.3	0	0	0	0	113.3	I451 M454 I579 F881 T887	I451-T883 HydrophobicContact CD1-CG2 4.4Å; M454-T883 WeakPolarHBondContact CE-OG1 3.4Å; M454-T883 PolarHBondContact SD-OG1 3Å; I579-T883 HydrophobicContact CD1-CG2 4.09Å; I579-T883 HydrophobicContact CG1-CG2 3.93Å; F881-T883 PolarHBondContact O-N 3.18Å; T883-T887 WeakPolarHBondContact O-CB 3.44Å; T883-T887 PolarHBondContact O-N 3.14Å; T883-T887 PolarHBondContact O-OG1 3.02Å
884	K	98.8	Very high	98.3	Very high	91 Å²	91	36.5 Å²	36.5	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-70.4	-48.1	178.1	-177.4	60.5	-176.2	179.6	0	111.8	M454 N882 Y886 T887 M888	M454-K884 HydrophobicContact CB-CD 4.21Å; M454-K884 HydrophobicContact CG-CD 4.32Å; M454-K884 PolarHBondContact O-NZ 3.31Å; M454-K884 HydrophobicContact SD-CB 4.08Å; M454-K884 HydrophobicContact SD-CD 4.46Å; N882-K884 PolarHBondContact O-N 3.44Å; N882-K884 PolarHBondContact OD1-N 2.98Å; K884-Y886 VanDerWaalsContact C-N 3.33Å; K884-T887 PolarHBondContact O-N 2.73Å; K884-M888 HydrophobicContact CG-SD 4.45Å; K884-M888 WeakPolarHBondContact O-CG 3.47Å; K884-M888 PolarHBondContact O-N 3.36Å; K884-M888 VanDerWaalsContact O-N 3.13Å
885	Q	98.7	Very high	98.4	Very high	61 Å²	61	36.4 Å²	36.4	29%	0.285	18%	0.182	S	C	.	.	H	α-helix	trans	-60.8	-45.4	175.3	178.5	179.8	-12.5	0	0	110.8	N882 T887 M888 E889	N882-Q885 HydrophobicContact CB-CB 4.12Å; N882-Q885 PolarHBondContact ND2-OE1 3.31Å; N882-Q885 PolarHBondContact O-N 3.21Å; N882-Q885 PolarHBondContact OD1-N 3.38Å; N882-Q885 VanDerWaalsContact OD1-N 3.11Å; Q885-T887 VanDerWaalsContact C-N 3.31Å; Q885-T887 PolarHBondContact O-N 2.88Å; Q885-M888 PolarHBondContact O-N 2.95Å; Q885-M888 VanDerWaalsContact O-N 3.16Å; Q885-E889 VanDerWaalsContact CG-OE1 3.3Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.47Å; Q885-E889 PolarHBondContact NE2-OE1 3.39Å; Q885-E889 WeakPolarHBondContact O-CG 3.28Å; Q885-E889 PolarHBondContact O-N 2.96Å
886	Y	98.8	Very high	98.4	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-45.7	176.1	-176.5	-79.2	0	0	0	111.8	I451 W536 M573 F577 I579 N882 K884 M888 E889 L890	I451-Y886 HydrophobicContact CD1-CD1 3.91Å; W536-Y886 AromaticContact CZ2-CE1 3.79Å; W536-Y886 HydrophobicContact CZ2-CE1 3.79Å; W536-Y886 PolarHBondContact NE1-OH 2.72Å; M573-Y886 HydrophobicContact CE-CD1 4.23Å; M573-Y886 HydrophobicContact CE-CD2 3.86Å; M573-Y886 HydrophobicContact CE-CE1 4.06Å; M573-Y886 HydrophobicContact CE-CE2 3.72Å; M573-Y886 HydrophobicContact CE-CG 4.13Å; F577-Y886 WeakPolarHBondContact O-CE2 3.39Å; F577-Y886 PolarHBondContact O-OH 3.08Å; I579-Y886 HydrophobicContact CB-CD1 4.3Å; I579-Y886 HydrophobicContact CB-CD2 3.79Å; I579-Y886 HydrophobicContact CB-CE1 4.29Å; I579-Y886 HydrophobicContact CB-CE2 3.74Å; I579-Y886 HydrophobicContact CB-CG 4.07Å; I579-Y886 HydrophobicContact CD1-CD2 3.83Å; I579-Y886 HydrophobicContact CD1-CG 3.83Å; I579-Y886 HydrophobicContact CG1-CD1 4.15Å; I579-Y886 HydrophobicContact CG1-CD2 3.95Å; I579-Y886 HydrophobicContact CG1-CE2 4.39Å; I579-Y886 HydrophobicContact CG1-CG 3.81Å; I579-Y886 HydrophobicContact CG2-CE1 4.2Å; I579-Y886 HydrophobicContact CG2-CE2 4.33Å; N882-Y886 WeakPolarHBondContact O-CB 3.45Å; N882-Y886 PolarHBondContact O-N 3.11Å; K884-Y886 VanDerWaalsContact C-N 3.33Å; Y886-M888 VanDerWaalsContact C-N 3.34Å; Y886-M888 PolarHBondContact O-N 3.41Å; Y886-E889 PolarHBondContact O-N 3.08Å; Y886-L890 HydrophobicContact CE1-CB 4.44Å; Y886-L890 HydrophobicContact CE1-CD2 4.24Å; Y886-L890 WeakPolarHBondContact O-CB 3.46Å; Y886-L890 PolarHBondContact O-N 3.36Å
887	T	98.9	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-43.8	178.5	-53.4	0	0	0	0	111.2	I451 M454 T883 K884 Q885 E889 L890 E891	I451-T887 WeakPolarHBondContact CD1-OG1 3.5Å; I451-T887 HydrophobicContact CG2-CG2 4.19Å; M454-T887 HydrophobicContact CB-CG2 4.04Å; T883-T887 WeakPolarHBondContact O-CB 3.44Å; T883-T887 PolarHBondContact O-N 3.14Å; T883-T887 PolarHBondContact O-OG1 3.02Å; K884-T887 PolarHBondContact O-N 2.73Å; Q885-T887 VanDerWaalsContact C-N 3.31Å; Q885-T887 PolarHBondContact O-N 2.88Å; T887-E889 VanDerWaalsContact C-N 3.31Å; T887-E889 PolarHBondContact O-N 3.43Å; T887-L890 WeakPolarHBondContact O-CB 3.05Å; T887-L890 PolarHBondContact O-N 3.04Å; T887-E891 WeakPolarHBondContact O-CB 3.45Å; T887-E891 VanDerWaalsContact O-CG 3.23Å; T887-E891 WeakPolarHBondContact O-CG 3.42Å; T887-E891 PolarHBondContact O-N 2.97Å
888	M	98.8	Very high	98.7	Very high	100 Å²	100	32.1 Å²	32.1	49%	0.493	15%	0.151	S	C	.	.	H	α-helix	trans	-64.8	-34.8	177.6	-67.1	170.3	59.1	0	0	112.8	K884 Q885 Y886 R892	K884-M888 HydrophobicContact CG-SD 4.45Å; K884-M888 WeakPolarHBondContact O-CG 3.47Å; K884-M888 PolarHBondContact O-N 3.36Å; K884-M888 VanDerWaalsContact O-N 3.13Å; Q885-M888 PolarHBondContact O-N 2.95Å; Q885-M888 VanDerWaalsContact O-N 3.16Å; Y886-M888 VanDerWaalsContact C-N 3.34Å; Y886-M888 PolarHBondContact O-N 3.41Å; M888-R892 WeakPolarHBondContact O-CG 3.23Å; M888-R892 PolarHBondContact O-N 2.96Å; M888-R892 VanDerWaalsContact O-N 3.16Å
889	E	98.6	Very high	98.7	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-69.1	-42.2	174.6	-72.9	168.7	-174.3	0	0	111.7	M573 P574 H575 Q885 Y886 T887 E891 R892 L893	M573-E889 HydrophobicContact CE-CB 3.68Å; P574-E889 HydrophobicContact CG-CB 4.02Å; P574-E889 HydrophobicContact CG-CG 3.69Å; P574-E889 VanDerWaalsContact CG-OE2 3.24Å; P574-E889 WeakPolarHBondContact CG-OE2 3.34Å; H575-E889 IonicContact CD2-OE1 3.04Å; H575-E889 PolarHBondContact CD2-OE1 2.95Å; H575-E889 IonicContact CD2-OE2 3.47Å; H575-E889 IonicContact NE2-OE1 2.83Å; Q885-E889 VanDerWaalsContact CG-OE1 3.3Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.47Å; Q885-E889 PolarHBondContact NE2-OE1 3.39Å; Q885-E889 WeakPolarHBondContact O-CG 3.28Å; Q885-E889 PolarHBondContact O-N 2.96Å; Y886-E889 PolarHBondContact O-N 3.08Å; T887-E889 VanDerWaalsContact C-N 3.31Å; T887-E889 PolarHBondContact O-N 3.43Å; E889-E891 VanDerWaalsContact C-N 3.33Å; E889-E891 PolarHBondContact O-N 3.43Å; E889-R892 PolarHBondContact O-N 3.3Å; E889-L893 PolarHBondContact O-N 2.73Å; E889-L893 VanDerWaalsContact O-N 3.08Å
890	L	98.8	Very high	98.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-40.4	175	-175.8	65.1	0	0	0	111.5	I451 W536 I552 M573 Y886 T887 L893 Y894	I451-L890 HydrophobicContact CG2-CD2 4.29Å; W536-L890 HydrophobicContact CH2-CD2 4.37Å; W536-L890 HydrophobicContact CZ2-CD2 4.14Å; I552-L890 HydrophobicContact CD1-CD1 3.86Å; I552-L890 HydrophobicContact CG2-CD1 4.26Å; M573-L890 HydrophobicContact CE-CB 4.11Å; M573-L890 HydrophobicContact SD-CB 4.17Å; M573-L890 HydrophobicContact SD-CD1 4Å; Y886-L890 HydrophobicContact CE1-CB 4.44Å; Y886-L890 HydrophobicContact CE1-CD2 4.24Å; Y886-L890 WeakPolarHBondContact O-CB 3.46Å; Y886-L890 PolarHBondContact O-N 3.36Å; T887-L890 WeakPolarHBondContact O-CB 3.05Å; T887-L890 PolarHBondContact O-N 3.04Å; L890-L893 WeakPolarHBondContact O-CB 3.11Å; L890-L893 PolarHBondContact O-N 2.96Å; L890-Y894 HydrophobicContact CD1-CE1 4.06Å; L890-Y894 HydrophobicContact CD1-CE2 4.11Å; L890-Y894 HydrophobicContact CD2-CE2 3.84Å; L890-Y894 HydrophobicContact CG-CD2 4.15Å; L890-Y894 HydrophobicContact CG-CE1 4.4Å; L890-Y894 HydrophobicContact CG-CE2 3.54Å; L890-Y894 WeakPolarHBondContact O-CD2 3.44Å; L890-Y894 PolarHBondContact O-N 3.41Å
891	E	98.9	Very high	98.7	Very high	15 Å²	15	40.3 Å²	40.3	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-44.9	173.9	-77.7	178	160.1	0	0	112.7	H455 N456 F460 T887 E889 L893 Y894 L895	H455-E891 WeakPolarHBondContact CA-OE1 3.23Å; H455-E891 IonicContact CG-OE1 2.78Å; H455-E891 WeakPolarHBondContact ND1-CG 3.38Å; H455-E891 IonicContact ND1-OE1 3.57Å; H455-E891 PolarHBondContact ND1-OE1 3.02Å; N456-E891 PolarHBondContact N-OE1 3.09Å; F460-E891 HydrophobicContact CD1-CG 4.43Å; F460-E891 HydrophobicContact CD2-CB 4.41Å; F460-E891 HydrophobicContact CD2-CG 3.79Å; F460-E891 WeakPolarHBondContact CD2-OE1 3.47Å; F460-E891 HydrophobicContact CE1-CB 4.22Å; F460-E891 HydrophobicContact CE1-CG 4.05Å; F460-E891 HydrophobicContact CE2-CB 3.52Å; F460-E891 HydrophobicContact CE2-CG 3.38Å; F460-E891 HydrophobicContact CG-CG 4.32Å; F460-E891 HydrophobicContact CZ-CB 3.4Å; F460-E891 HydrophobicContact CZ-CG 3.53Å; F460-E891 WeakPolarHBondContact CZ-O 3.45Å; T887-E891 WeakPolarHBondContact O-CB 3.45Å; T887-E891 VanDerWaalsContact O-CG 3.23Å; T887-E891 WeakPolarHBondContact O-CG 3.42Å; T887-E891 PolarHBondContact O-N 2.97Å; E889-E891 VanDerWaalsContact C-N 3.33Å; E889-E891 PolarHBondContact O-N 3.43Å; E891-L893 VanDerWaalsContact C-N 3.29Å; E891-L893 PolarHBondContact O-N 3.34Å; E891-Y894 PolarHBondContact O-N 3.27Å; E891-L895 WeakPolarHBondContact O-CG 3.38Å; E891-L895 PolarHBondContact O-N 3.01Å
892	R	98.6	Very high	98.6	Very high	132 Å²	132	42.3 Å²	42.3	50%	0.498	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-42.2	175.1	-74.3	-171.3	-67.6	-167.9	-0.5	111.4	M888 E889 L895 Q896	M888-R892 WeakPolarHBondContact O-CG 3.23Å; M888-R892 PolarHBondContact O-N 2.96Å; M888-R892 VanDerWaalsContact O-N 3.16Å; E889-R892 PolarHBondContact O-N 3.3Å; R892-L895 PolarHBondContact O-N 3Å; R892-Q896 WeakPolarHBondContact O-CG 3.41Å; R892-Q896 PolarHBondContact O-N 3.18Å
893	L	98.7	Very high	98.6	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-41.3	177.1	-173.5	62.8	0	0	0	111.7	I552 A571 M573 E889 L890 E891 Q896 M897 M910	I552-L893 HydrophobicContact CG1-CD2 4.31Å; I552-L893 HydrophobicContact CG2-CD2 3.93Å; A571-L893 HydrophobicContact CB-CD1 4.11Å; A571-L893 HydrophobicContact CB-CD2 4.08Å; A571-L893 HydrophobicContact CB-CG 4.39Å; M573-L893 HydrophobicContact SD-CD2 4.05Å; E889-L893 PolarHBondContact O-N 2.73Å; E889-L893 VanDerWaalsContact O-N 3.08Å; L890-L893 WeakPolarHBondContact O-CB 3.11Å; L890-L893 PolarHBondContact O-N 2.96Å; E891-L893 VanDerWaalsContact C-N 3.29Å; E891-L893 PolarHBondContact O-N 3.34Å; L893-Q896 WeakPolarHBondContact O-CB 3.29Å; L893-Q896 PolarHBondContact O-N 3.5Å; L893-M897 HydrophobicContact CD2-CE 4.26Å; L893-M897 HydrophobicContact CG-CE 4.06Å; L893-M897 WeakPolarHBondContact O-CG 3.29Å; L893-M897 PolarHBondContact O-N 3.44Å; L893-M910 HydrophobicContact CD1-CB 4.28Å; L893-M910 HydrophobicContact CD1-SD 4.46Å
894	Y	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-40.9	174.3	-72.5	-28.4	0	0	0	113.3	V432 Y434 F460 I509 V511 I552 L890 E891 Q896 M897 W898	V432-Y894 HydrophobicContact CG1-CD2 4.42Å; V432-Y894 HydrophobicContact CG1-CE2 3.86Å; V432-Y894 HydrophobicContact CG2-CD2 4.01Å; V432-Y894 HydrophobicContact CG2-CE2 4.26Å; Y434-Y894 WeakPolarHBondContact CE1-OH 3.47Å; Y434-Y894 PolarHBondContact OH-OH 3.02Å; F460-Y894 HydrophobicContact CE1-CD2 4.27Å; I509-Y894 HydrophobicContact CD1-CD1 3.71Å; I509-Y894 HydrophobicContact CD1-CG 3.92Å; I509-Y894 WeakPolarHBondContact CD1-O 3.3Å; I509-Y894 HydrophobicContact CG2-CD1 4.14Å; I509-Y894 HydrophobicContact CG2-CE1 4.09Å; V511-Y894 HydrophobicContact CG2-CE1 4.27Å; V511-Y894 WeakPolarHBondContact CG2-OH 3.37Å; I552-Y894 HydrophobicContact CD1-CE1 3.69Å; L890-Y894 HydrophobicContact CD1-CE1 4.06Å; L890-Y894 HydrophobicContact CD1-CE2 4.11Å; L890-Y894 HydrophobicContact CD2-CE2 3.84Å; L890-Y894 HydrophobicContact CG-CD2 4.15Å; L890-Y894 HydrophobicContact CG-CE1 4.4Å; L890-Y894 HydrophobicContact CG-CE2 3.54Å; L890-Y894 WeakPolarHBondContact O-CD2 3.44Å; L890-Y894 PolarHBondContact O-N 3.41Å; E891-Y894 PolarHBondContact O-N 3.27Å; Y894-Q896 VanDerWaalsContact C-N 3.34Å; Y894-M897 HydrophobicContact CD1-SD 4.18Å; Y894-M897 PolarHBondContact O-N 3.25Å; Y894-W898 WeakPolarHBondContact O-CB 3.02Å; Y894-W898 PolarHBondContact O-N 3.49Å
895	L	98.8	Very high	98.5	Very high	42 Å²	42	44.4 Å²	44.4	22%	0.22	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-42.1	175	-71.4	167.2	0	0	0	111.2	F460 E891 R892 M897 W898 E899	F460-L895 HydrophobicContact CZ-CD1 4.12Å; F460-L895 HydrophobicContact CZ-CD2 4.3Å; F460-L895 HydrophobicContact CZ-CG 3.89Å; E891-L895 WeakPolarHBondContact O-CG 3.38Å; E891-L895 PolarHBondContact O-N 3.01Å; R892-L895 PolarHBondContact O-N 3Å; L895-M897 PolarHBondContact O-N 2.98Å; L895-W898 PolarHBondContact O-N 3.4Å; L895-E899 WeakPolarHBondContact O-CB 3.37Å; L895-E899 VanDerWaalsContact O-CG 3.26Å; L895-E899 WeakPolarHBondContact O-CG 3.26Å; L895-E899 PolarHBondContact O-N 3.5Å
896	Q	98.4	Very high	98.5	Very high	68 Å²	68	50 Å²	50	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-48.5	174.9	-70.6	173.7	-25.3	0	0	111.8	R892 L893 Y894 W898 E899 H900 M910	R892-Q896 WeakPolarHBondContact O-CG 3.41Å; R892-Q896 PolarHBondContact O-N 3.18Å; L893-Q896 WeakPolarHBondContact O-CB 3.29Å; L893-Q896 PolarHBondContact O-N 3.5Å; Y894-Q896 VanDerWaalsContact C-N 3.34Å; Q896-W898 VanDerWaalsContact C-N 3.28Å; Q896-W898 PolarHBondContact O-N 2.95Å; Q896-E899 PolarHBondContact O-N 2.96Å; Q896-H900 WeakPolarHBondContact O-CB 3.5Å; Q896-H900 PolarHBondContact O-N 3.47Å; Q896-M910 HydrophobicContact CB-CE 3.94Å; Q896-M910 HydrophobicContact CB-SD 3.85Å; Q896-M910 WeakPolarHBondContact O-CE 3.38Å
897	M	98.7	Very high	98.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-54.8	-46.8	176	-69.8	-179.6	179.4	0	0	111.2	I509 I532 Y550 I552 A571 L893 Y894 L895 Y901 M910	I509-M897 HydrophobicContact CD1-CB 4.21Å; I532-M897 HydrophobicContact CD1-CB 4.18Å; I532-M897 WeakPolarHBondContact CD1-O 3.48Å; I532-M897 HydrophobicContact CG2-SD 4.43Å; Y550-M897 HydrophobicContact CD1-CE 4.15Å; Y550-M897 HydrophobicContact CD2-CE 4.27Å; Y550-M897 HydrophobicContact CD2-CG 4.27Å; Y550-M897 HydrophobicContact CD2-SD 4.08Å; Y550-M897 HydrophobicContact CE2-CB 4.46Å; Y550-M897 HydrophobicContact CE2-CG 4.17Å; Y550-M897 HydrophobicContact CG-CE 3.82Å; Y550-M897 HydrophobicContact CG-SD 4.24Å; I552-M897 HydrophobicContact CD1-CE 4.31Å; I552-M897 HydrophobicContact CG1-CE 3.92Å; A571-M897 HydrophobicContact CB-CE 3.25Å; L893-M897 HydrophobicContact CD2-CE 4.26Å; L893-M897 HydrophobicContact CG-CE 4.06Å; L893-M897 WeakPolarHBondContact O-CG 3.29Å; L893-M897 PolarHBondContact O-N 3.44Å; Y894-M897 HydrophobicContact CD1-SD 4.18Å; Y894-M897 PolarHBondContact O-N 3.25Å; L895-M897 PolarHBondContact O-N 2.98Å; M897-Y901 PolarHBondContact O-N 2.92Å; M897-Y901 VanDerWaalsContact O-N 3.17Å; M897-M910 HydrophobicContact CB-SD 4.36Å; M897-M910 HydrophobicContact CG-SD 3.66Å
898	W	98.8	Very high	98.4	Very high	14 Å²	14	55.8 Å²	55.8	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-48.7	-179.6	174.9	-109.7	0	0	0	112.9	L423 L430 H508 P531 I532 Y894 L895 Q896 H900 Y901 A902	L423-W898 HydrophobicContact CD2-CD2 4.28Å; L423-W898 HydrophobicContact CD2-CH2 4.4Å; L423-W898 HydrophobicContact CD2-CZ2 3.57Å; L423-W898 HydrophobicContact CG-CZ2 4.05Å; L430-W898 HydrophobicContact CD1-CB 3.84Å; L430-W898 HydrophobicContact CD1-CD2 3.68Å; L430-W898 HydrophobicContact CD1-CE3 4.06Å; L430-W898 HydrophobicContact CD1-CG 3.55Å; L430-W898 HydrophobicContact CD2-CB 4.17Å; H508-W898 HydrophobicContact CB-CE3 4.06Å; H508-W898 HydrophobicContact CB-CZ3 4.05Å; H508-W898 AromaticContact CD2-CH2 3.54Å; H508-W898 AromaticContact CD2-CZ3 3.67Å; P531-W898 HydrophobicContact CG-CZ3 4.28Å; I532-W898 HydrophobicContact CD1-CE3 4.26Å; Y894-W898 WeakPolarHBondContact O-CB 3.02Å; Y894-W898 PolarHBondContact O-N 3.49Å; L895-W898 PolarHBondContact O-N 3.4Å; Q896-W898 VanDerWaalsContact C-N 3.28Å; Q896-W898 PolarHBondContact O-N 2.95Å; W898-H900 VanDerWaalsContact C-N 3.27Å; W898-H900 PolarHBondContact O-N 3.14Å; W898-Y901 AromaticContact CE3-CD1 4Å; W898-Y901 HydrophobicContact CE3-CD1 4Å; W898-Y901 HydrophobicContact CH2-CD1 4.25Å; W898-Y901 HydrophobicContact CH2-CE1 4.35Å; W898-Y901 AromaticContact CZ3-CD1 3.6Å; W898-Y901 HydrophobicContact CZ3-CD1 3.6Å; W898-Y901 AromaticContact CZ3-CE1 3.91Å; W898-Y901 HydrophobicContact CZ3-CE1 3.91Å; W898-Y901 PolarHBondContact O-N 3.27Å; W898-A902 HydrophobicContact CZ2-CB 4.36Å; W898-A902 VanDerWaalsContact O-CB 3.29Å; W898-A902 WeakPolarHBondContact O-CB 3.39Å; W898-A902 PolarHBondContact O-N 3Å
899	E	98.3	Very high	98.4	Very high	123 Å²	123	54.2 Å²	54.2	58%	0.575	29%	0.291	S	S	*	.	H	α-helix	trans	-58	-41.6	179.1	-75.3	170.6	-178.2	0	0	111.4	L895 Q896 A902 A903	L895-E899 WeakPolarHBondContact O-CB 3.37Å; L895-E899 VanDerWaalsContact O-CG 3.26Å; L895-E899 WeakPolarHBondContact O-CG 3.26Å; L895-E899 PolarHBondContact O-N 3.5Å; Q896-E899 PolarHBondContact O-N 2.96Å; E899-A902 PolarHBondContact O-N 3.04Å; E899-A903 WeakPolarHBondContact O-CB 3.45Å; E899-A903 PolarHBondContact O-N 2.9Å
900	H	98.3	Very high	98.3	Very high	51 Å²	51	55 Å²	55	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-45.1	176.7	-171.6	71.4	0	0	0	112.2	Q896 W898 N905 K906 M910	Q896-H900 WeakPolarHBondContact O-CB 3.5Å; Q896-H900 PolarHBondContact O-N 3.47Å; W898-H900 VanDerWaalsContact C-N 3.27Å; W898-H900 PolarHBondContact O-N 3.14Å; H900-N905 WeakPolarHBondContact CE1-CB 3.49Å; H900-N905 PolarHBondContact ND1-ND2 3.44Å; H900-N905 VanDerWaalsContact NE2-CB 3.34Å; H900-N905 WeakPolarHBondContact NE2-CB 3.47Å; H900-N905 VanDerWaalsContact O-CB 3.31Å; H900-N905 WeakPolarHBondContact O-CB 3.27Å; H900-N905 PolarHBondContact O-N 3.28Å; H900-N905 PolarHBondContact O-ND2 3.39Å; H900-K906 PolarHBondContact CD2-O 2.85Å; H900-K906 PolarHBondContact NE2-O 3.24Å; H900-M910 HydrophobicContact CB-CE 3.76Å
901	Y	98.4	Very high	97.7	Very high	38 Å²	38	58.6 Å²	58.6	15%	0.149	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-44.2	175.4	172.6	-92.8	0	0	0	112.7	P420 K421 P531 I532 M897 W898 A903 G904	P420-Y901 WeakPolarHBondContact O-CE1 3.3Å; K421-Y901 HydrophobicContact CD-CE1 4.21Å; K421-Y901 PolarHBondContact NZ-OH 3.46Å; P531-Y901 HydrophobicContact CB-CD1 4.29Å; P531-Y901 HydrophobicContact CB-CD2 4.24Å; P531-Y901 HydrophobicContact CB-CE1 3.66Å; P531-Y901 HydrophobicContact CB-CE2 3.58Å; P531-Y901 VanDerWaalsContact CB-OH 3.32Å; P531-Y901 WeakPolarHBondContact CB-OH 3.38Å; P531-Y901 HydrophobicContact CG-CE1 4.18Å; I532-Y901 HydrophobicContact CD1-CG 4.19Å; I532-Y901 HydrophobicContact CG1-CD2 4.32Å; I532-Y901 HydrophobicContact CG1-CG 4.16Å; M897-Y901 PolarHBondContact O-N 2.92Å; M897-Y901 VanDerWaalsContact O-N 3.17Å; W898-Y901 AromaticContact CE3-CD1 4Å; W898-Y901 HydrophobicContact CE3-CD1 4Å; W898-Y901 HydrophobicContact CH2-CD1 4.25Å; W898-Y901 HydrophobicContact CH2-CE1 4.35Å; W898-Y901 AromaticContact CZ3-CD1 3.6Å; W898-Y901 HydrophobicContact CZ3-CD1 3.6Å; W898-Y901 AromaticContact CZ3-CE1 3.91Å; W898-Y901 HydrophobicContact CZ3-CE1 3.91Å; W898-Y901 PolarHBondContact O-N 3.27Å; Y901-A903 PolarHBondContact O-N 3.36Å; Y901-G904 WeakPolarHBondContact O-CA 3.28Å; Y901-G904 PolarHBondContact O-N 2.89Å
902	A	97.6	Very high	96.1	Very high	48 Å²	48	66.7 Å²	66.7	40%	0.397	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-29.3	-179.2	0	0	0	0	0	111.8	W898 E899 G904	W898-A902 HydrophobicContact CZ2-CB 4.36Å; W898-A902 VanDerWaalsContact O-CB 3.29Å; W898-A902 WeakPolarHBondContact O-CB 3.39Å; W898-A902 PolarHBondContact O-N 3Å; E899-A902 PolarHBondContact O-N 3.04Å; A902-G904 PolarHBondContact O-N 2.85Å
903	A	98	Very high	93.9	Very high	70 Å²	70	66.2 Å²	66.2	58%	0.579	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-0.7	169.9	0	0	0	0	0	114.1	E899 Y901	E899-A903 WeakPolarHBondContact O-CB 3.45Å; E899-A903 PolarHBondContact O-N 2.9Å; Y901-A903 PolarHBondContact O-N 3.36Å
904	G	97.4	Very high	91.2	Very high	67 Å²	67	70 Å²	70	69%	0.691	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	11.7	178.7	0	0	0	0	0	114.6	Y901 A902	Y901-G904 WeakPolarHBondContact O-CA 3.28Å; Y901-G904 PolarHBondContact O-N 2.89Å; A902-G904 PolarHBondContact O-N 2.85Å
905	N	98.3	Very high	88.2	Confident	79 Å²	79	78 Å²	78	42%	0.422	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-84.7	153.1	-178.5	-55.6	-46.4	0	0	0	112	H900	H900-N905 WeakPolarHBondContact CE1-CB 3.49Å; H900-N905 PolarHBondContact ND1-ND2 3.44Å; H900-N905 VanDerWaalsContact NE2-CB 3.34Å; H900-N905 WeakPolarHBondContact NE2-CB 3.47Å; H900-N905 VanDerWaalsContact O-CB 3.31Å; H900-N905 WeakPolarHBondContact O-CB 3.27Å; H900-N905 PolarHBondContact O-N 3.28Å; H900-N905 PolarHBondContact O-ND2 3.39Å
906	K	98.2	Very high	85	Confident	180 Å²	180	81.9 Å²	81.9	78%	0.783	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-78	155.9	169	-69.3	-176.4	179	-179.5	0	110.7	H900 D908	H900-K906 PolarHBondContact CD2-O 2.85Å; H900-K906 PolarHBondContact NE2-O 3.24Å; K906-D908 PolarHBondContact O-N 3.48Å
907	P	98.4	Very high	81.7	Confident	45 Å²	45	84 Å²	84	29%	0.292	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-51.2	131.5	175.4	-27	34.4	0	0	0	112.5	D549 Y550 K569	D549-P907 HydrophobicContact CB-CB 4.05Å; D549-P907 HydrophobicContact CB-CG 3.67Å; Y550-P907 HydrophobicContact CE1-CB 4.44Å; Y550-P907 HydrophobicContact CE2-CB 3.91Å; Y550-P907 HydrophobicContact CE2-CG 4.34Å; Y550-P907 WeakPolarHBondContact OH-CA 3.2Å; K569-P907 WeakPolarHBondContact CE-O 3.27Å; K569-P907 HydrophobicContact CG-CB 4.06Å
908	D	98.3	Very high	78.5	Confident	82 Å²	82	92.8 Å²	92.8	44%	0.439	51%	0.507	S	S	.	.			trans	-143.4	164.4	173.5	-158.9	13.1	0	0	0	111.3	Y550 K569 K906 M910	Y550-D908 VanDerWaalsContact CE1-O 3.26Å; Y550-D908 WeakPolarHBondContact CE1-O 3.2Å; K569-D908 IonicContact NZ-OD1 3.07Å; K906-D908 PolarHBondContact O-N 3.48Å; D908-M910 PolarHBondContact O-N 2.73Å
909	H	98.3	Very high	75.3	Confident	67 Å²	67	97.1 Å²	97.1	31%	0.31	54%	0.54	S	S	.	.			trans	-57.2	129.2	-174.7	-64.5	-77.7	0	0	0	112.8	L570 I911	L570-H909 PolarHBondContact N-ND1 2.94Å; H909-I911 HydrophobicContact CB-CG1 4.48Å; H909-I911 HydrophobicContact CB-CG2 4.03Å
910	M	96.6	Very high	72	Confident	29 Å²	29	100 Å²	100	14%	0.143	58%	0.584	C	S	.	*	B	Isolated β-bridge	trans	-105.9	79.4	175.6	-62.7	-166.3	147.2	0	0	109.8	Y550 L570 A571 Y572 L893 Q896 M897 H900 D908	Y550-M910 HydrophobicContact CE1-CG 4.14Å; Y550-M910 HydrophobicContact CE1-SD 4.27Å; L570-M910 PolarHBondContact O-N 3Å; A571-M910 HydrophobicContact CB-CB 4.43Å; Y572-M910 PolarHBondContact N-O 3.43Å; L893-M910 HydrophobicContact CD1-CB 4.28Å; L893-M910 HydrophobicContact CD1-SD 4.46Å; Q896-M910 HydrophobicContact CB-CE 3.94Å; Q896-M910 HydrophobicContact CB-SD 3.85Å; Q896-M910 WeakPolarHBondContact O-CE 3.38Å; M897-M910 HydrophobicContact CB-SD 4.36Å; M897-M910 HydrophobicContact CG-SD 3.66Å; H900-M910 HydrophobicContact CB-CE 3.76Å; D908-M910 PolarHBondContact O-N 2.73Å
911	I	85.3	Confident	70.7	Confident	77 Å²	77	102.5 Å²	102.5	40%	0.395	60%	0.602	S	S	.	*			trans	-117.4	-0.8	-169.3	59.6	171.9	0	0	0	114	L570 Y572 H909	L570-I911 HydrophobicContact CB-CG2 4.47Å; Y572-I911 HydrophobicContact CD2-CB 3.94Å; Y572-I911 HydrophobicContact CD2-CG2 3.77Å; Y572-I911 HydrophobicContact CE1-CG2 4.39Å; Y572-I911 HydrophobicContact CE2-CB 3.84Å; Y572-I911 HydrophobicContact CE2-CG2 3.46Å; Y572-I911 VanDerWaalsContact CE2-CG2 3.46Å; Y572-I911 HydrophobicContact CG-CG2 4.32Å; H909-I911 HydrophobicContact CB-CG1 4.48Å; H909-I911 HydrophobicContact CB-CG2 4.03Å
912	K	67	Low	69.3	Low	184 Å²	184	105.8 Å²	105.8	80%	0.8	63%	0.626	S	S	*	*			trans	-74.2	132.8	-176.8	-78.2	-172	177.3	-177.9	0	111.1	V914	K912-V914 PolarHBondContact O-N 2.86Å
913	P	51.8	Low	67.7	Low	122 Å²	122	109.1 Å²	109.1	79%	0.792	64%	0.638	S	S	*	*			trans	-61.4	129.2	161.2	10.3	-3.6	0	0	0	107.9	E915	P913-E915 PolarHBondContact O-N 3.49Å; P913-E915 VanDerWaalsContact O-N 3.1Å
914	V	42.7	Very low	65.9	Low	84 Å²	84	111.4 Å²	111.4	51%	0.509	64%	0.642	S	S	.	*			trans	-64.8	112.6	177.1	179.4	0	0	0	0	107.8	K912 V916	K912-V914 PolarHBondContact O-N 2.86Å; V914-V916 PolarHBondContact O-N 3.03Å; V914-V916 VanDerWaalsContact O-N 3.15Å
915	E	34.3	Very low	63.9	Low	168 Å²	168	114.1 Å²	114.1	79%	0.785	64%	0.639	S	S	*	*			trans	-59.6	115.2	156.8	-78.4	-176.8	169.4	0	0	106.5	P913 T917	P913-E915 PolarHBondContact O-N 3.49Å; P913-E915 VanDerWaalsContact O-N 3.1Å; E915-T917 PolarHBondContact O-N 3.04Å
916	V	32.3	Very low	61.6	Low	124 Å²	124	116.5 Å²	116.5	75%	0.752	65%	0.653	S	S	*	*			trans	-63.8	91.9	171.7	-178.8	0	0	0	0	106.8	V914 E918	V914-V916 PolarHBondContact O-N 3.03Å; V914-V916 VanDerWaalsContact O-N 3.15Å; V916-E918 HydrophobicContact CG1-CG 4.37Å; V916-E918 PolarHBondContact O-N 3.42Å
917	T	29.1	Very low	59	Low	111 Å²	111	111.9 Å²	111.9	68%	0.681	64%	0.644	S	S	*	*			trans	-86.2	100.9	162	32.8	0	0	0	0	106.4	E915 S919	E915-T917 PolarHBondContact O-N 3.04Å; T917-S919 PolarHBondContact O-N 2.79Å
918	E	32	Very low	56	Low	185 Å²	185	117.1 Å²	117.1	86%	0.864	67%	0.671	S	S	*	*			trans	-62.1	83.5	159	-73.9	-177.8	156.2	0	0	108	V916	V916-E918 HydrophobicContact CG1-CG 4.37Å; V916-E918 PolarHBondContact O-N 3.42Å
919	S	31.5	Very low	52.5	Low	106 Å²	106	120 Å²	120	74%	0.741	69%	0.69	S	S	*	*			trans	-178.5	97.5	158.3	33.9	0	0	0	0	111.6	T917	T917-S919 PolarHBondContact O-N 2.79Å
920	A	29.1	Very low	48.3	Very low	183 Å²	183	124.8 Å²	124.8	100%	1.512	73%	0.725	S	S	*	*			trans	-174.4	0	136.3	0	0	0	0	0	109.6

Retrieved 920 of 920 residues in 935.3 ms (Link to these results)

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