A0A087Y3X8_POEFO Loading...

RNA polymerase II subunit A C-terminal domain phosphatase

Processively dephosphorylates 'Ser-2' and 'Ser-5' of the heptad repeats YSPTSPS in the C-terminal domain of the largest RNA polymerase II subunit. This promotes the activity of RNA polymerase II. Plays a role in the exit from mitosis by dephosphorylating crucial mitotic substrates (USP44, CDC20 and WEE1) that are required for M-phase-promoting factor (MPF)/CDK1 inactivation.

AlphaFold DB , UniProt , Accession A0A087Y3X8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,004 aa.

						>A0A087Y3X8_POEFO|A0A087Y3X8
MEDPPADPIGGGGGGAAAAAAEGPTMQVADMRWPSGALPLRLLEWKVKPGSLVNVDSVLALCALIAQDKETEAAARLPEKKVKSDRAGVVKELCCQPGQIIPPGGVIVRIEECSHPIVMKGLCAECGQDLTQLQGTNGNQQSPISTATVSMVHSVPELMVSSEQAKQLAREDQQRLHRNKKLVLMVDLDQTLIHTTEQHCQRMSNKGIFHFQLGRGEPMLHTRLRPHCKEFLEKIAKLYELHVFTFGSRLYAHTIAGFLDPEKKLFSHRILSRDECIDPFSKTGNLRNLFPCGDSMVCIIDDREDVWKFAPNLITVKKYIYFQGIGDINAPPGSREAQMAKKAGGPSSRPTESTEQAEAIAADEQNNGLRKRSKEPSISTKEELSLPQSSQEGAAGERTQGGVEENQEEAGRSRGSDAGQKVSESGQKPKDTQVEDKKDVKEDGGNGTEEAQGGANSSAPSHDSNNLDFDLSSDSDSESGTGKPASPDCGSQSRTHLTKESEQEGDGHEPSDEDMTKDGDSKGSCEVENSSDSAEHPGVVLPDPELGNGCLERREPETESQNSEQSGVTVGEELLDQSMEDEEEEEETDNDQDDHLIYLEEVLERIHAEYFARYETYLRKEASEMPDIRRIVPELKSKTLEGTTVVFSGLYPTNYPMERTREFYHAKALGAKIGKSLILNSQDPNRTTHLVAARAGTEKVRQAQDCKHLHVVNPDWLWSCLERWERVEEQLYPLKEDYSRTPRSNSPAAFLDNQGCLQKAVFQPVPVHPRPRGAFSEARTYDSVTGKLIRRGPQAARPATYLQASGPLSDRMDQSGLRGAAQGQQNEAAGSSQDNEQPGPSRRERQPSMSETMPLYTLCKEDLDSMDKEVDDILGEESDNESEGRGKEKPGNEDIAEEEEEQPQQQPEAGESTTSGPPSKPDGVEERLQTSPPSDSSLSENAPRGQKRKHDSGEDEEDADMESKQKRRDSADESSKDSNEEEEGSSSEADEMAAALEAELNDFM
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	33.9	Very low	223 Å²	223	134.5 Å²	134.5	100%	1.099	83%	0.832	S	S	*	*				0	122	0	-90.5	159.6	162.3	0	0	105.6
2	E	30.8	Very low	33.2	Very low	162 Å²	162	130.7 Å²	130.7	76%	0.757	84%	0.838	S	S	*	*			trans	51.3	134	158.4	-61	130.1	159.5	0	0	118.7
3	D	29.1	Very low	33	Very low	146 Å²	146	126.9 Å²	126.9	78%	0.781	84%	0.839	S	S	*	*			cis	-159.3	171.2	-6.5	-116.1	-4.1	0	0	0	110.4
4	P	36.6	Very low	32.6	Very low	106 Å²	106	123.6 Å²	123.6	69%	0.688	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-86.9	154.8	-166.4	34.4	-36.6	0	0	0	114.9
5	P	38.7	Very low	32.3	Very low	122 Å²	122	120.5 Å²	120.5	79%	0.792	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-79	155.5	157.9	35.1	-32.7	0	0	0	111
6	A	35.5	Very low	32	Very low	99 Å²	99	119.9 Å²	119.9	82%	0.818	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-91.4	141.2	173.7	0	0	0	0	0	111.6
7	D	32.8	Very low	31.7	Very low	161 Å²	161	118.4 Å²	118.4	86%	0.861	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-77.2	146.1	-178.6	-84.7	-50.2	0	0	0	113.8
8	P	42	Very low	31.6	Very low	117 Å²	117	117.4 Å²	117.4	76%	0.76	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-88.3	158.5	178.9	36.2	-35.6	0	0	0	113.4
9	I	35.3	Very low	31.3	Very low	184 Å²	184	116.7 Å²	116.7	94%	0.944	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-79.3	131.9	172.1	-61.3	169	0	0	0	109.7
10	G	30.1	Very low	31.1	Very low	75 Å²	75	115.3 Å²	115.3	77%	0.773	83%	0.832	S	S	*	*			trans	-177.2	145.1	168.2	0	0	0	0	0	116.6
11	G	29.3	Very low	31	Very low	85 Å²	85	114.7 Å²	114.7	88%	0.876	83%	0.833	S	S	*	*			trans	96.2	124.2	153.3	0	0	0	0	0	117.6
12	G	25.9	Very low	30.8	Very low	88 Å²	88	112.8 Å²	112.8	91%	0.907	82%	0.821	S	S	*	*			trans	94.8	142.5	172.7	0	0	0	0	0	113.8
13	G	29.9	Very low	30.8	Very low	82 Å²	82	107.3 Å²	107.3	85%	0.845	81%	0.808	S	S	*	*			cis	153.5	67.8	2.6	0	0	0	0	0	111
14	G	27.3	Very low	31.3	Very low	81 Å²	81	104.1 Å²	104.1	84%	0.835	80%	0.796	S	S	*	*			trans	-99.4	115	-177.1	0	0	0	0	0	112.3
15	G	27.8	Very low	31.4	Very low	77 Å²	77	105 Å²	105	79%	0.794	80%	0.799	S	S	*	*			trans	-72	146.7	169.9	0	0	0	0	0	111.5	A17	G15-A17 PolarHBondContact O-N 2.75Å
16	A	28.3	Very low	32.3	Very low	111 Å²	111	103.2 Å²	103.2	92%	0.917	78%	0.781	S	S	*	*			trans	-70	95.3	172.4	0	0	0	0	0	109.7	A18	A16-A18 PolarHBondContact O-N 3.25Å
17	A	27.3	Very low	33.7	Very low	94 Å²	94	105.6 Å²	105.6	78%	0.777	78%	0.775	S	S	*	*			trans	-62.9	132.4	167.3	0	0	0	0	0	108.9	G15 A19	G15-A17 PolarHBondContact O-N 2.75Å; A17-A19 PolarHBondContact O-N 3.17Å
18	A	29	Very low	35.9	Very low	100 Å²	100	101.6 Å²	101.6	83%	0.826	76%	0.756	S	S	*	*			trans	-64.7	118.6	171.2	0	0	0	0	0	108.5	A16 A20	A16-A18 PolarHBondContact O-N 3.25Å; A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 2.97Å
19	A	27.3	Very low	37.7	Very low	105 Å²	105	96.8 Å²	96.8	87%	0.868	73%	0.727	S	S	*	*			trans	-68.7	96.3	168.7	0	0	0	0	0	108	A17 A21	A17-A19 PolarHBondContact O-N 3.17Å; A19-A21 PolarHBondContact O-N 2.85Å
20	A	27	Very low	40.1	Very low	88 Å²	88	90.3 Å²	90.3	73%	0.727	69%	0.694	S	S	*	*			trans	-57.6	133.3	161	0	0	0	0	0	107.6	A18 E22	A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 2.97Å; A20-E22 PolarHBondContact O-N 2.86Å; A20-E22 VanDerWaalsContact O-N 3.08Å
21	A	28.3	Very low	42.7	Very low	102 Å²	102	87.4 Å²	87.4	84%	0.843	66%	0.66	S	S	*	*			trans	-67.1	110	173.3	0	0	0	0	0	108.2	A19 G23	A19-A21 PolarHBondContact O-N 2.85Å; A21-G23 PolarHBondContact O-N 2.8Å; A21-G23 VanDerWaalsContact O-N 3.13Å
22	E	29.4	Very low	45.3	Very low	184 Å²	184	90.2 Å²	90.2	86%	0.86	65%	0.645	S	S	*	*			trans	-63.8	111.1	161	-67.4	-172.2	139.9	0	0	106.6	A20	A20-E22 PolarHBondContact O-N 2.86Å; A20-E22 VanDerWaalsContact O-N 3.08Å
23	G	30.1	Very low	48.1	Very low	46 Å²	46	87 Å²	87	47%	0.474	61%	0.605	S	S	.	*			trans	-61.6	166.4	172.3	0	0	0	0	0	111.1	A21 T25	A21-G23 PolarHBondContact O-N 2.8Å; A21-G23 VanDerWaalsContact O-N 3.13Å; G23-T25 PolarHBondContact O-N 3.25Å
24	P	38.9	Very low	50.5	Low	80 Å²	80	86.7 Å²	86.7	52%	0.519	59%	0.588	S	S	.	*			trans	-53.6	117	-175.4	21.3	-33.6	0	0	0	111.1	M26	P24-M26 PolarHBondContact O-N 3.26Å
25	T	39.4	Very low	52.9	Low	125 Å²	125	87.7 Å²	87.7	77%	0.767	58%	0.583	S	S	*	*			trans	-65.5	94.6	179.4	50.6	0	0	0	0	109.7	G23	G23-T25 PolarHBondContact O-N 3.25Å
26	M	58.2	Low	54.9	Low	83 Å²	83	88 Å²	88	41%	0.409	59%	0.586	S	S	.	*			trans	-58.3	137.4	179.8	-65.4	-177.7	162.7	0	0	110.6	P24 V28 E111	P24-M26 PolarHBondContact O-N 3.26Å; M26-V28 PolarHBondContact O-N 3.48Å; M26-E111 HydrophobicContact CB-CG 3.6Å; M26-E111 HydrophobicContact CG-CG 4.39Å; M26-E111 HydrophobicContact SD-CG 3.95Å
27	Q	64.5	Low	57.2	Low	150 Å²	150	84.2 Å²	84.2	70%	0.701	55%	0.554	S	S	*	*			trans	-80	112.3	-173.8	-64.4	-168.3	40.9	0	0	110.2	E112	Q27-E112 PolarHBondContact O-N 3.19Å
28	V	78.3	Confident	59.7	Low	76 Å²	76	83.9 Å²	83.9	46%	0.461	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.2	173.3	-177.6	0	0	0	0	109.3	M26 R109 I110 E111	M26-V28 PolarHBondContact O-N 3.48Å; V28-R109 HydrophobicContact CG1-CB 3.85Å; V28-R109 HydrophobicContact CG1-CG 4.28Å; V28-I110 CarbonylContact C-O 3.58Å; V28-I110 WeakPolarHBondContact CA-O 3.47Å; V28-E111 HydrophobicContact CG2-CB 4.34Å
29	A	80.7	Confident	62.2	Low	17 Å²	17	80.3 Å²	80.3	14%	0.14	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.5	179.5	0	0	0	0	0	112.2	M31 R109 I110 E112	A29-M31 PolarHBondContact O-N 2.73Å; A29-R109 WeakPolarHBondContact O-CA 3.22Å; A29-I110 PolarHBondContact N-O 2.96Å; A29-I110 PolarHBondContact O-N 3.48Å; A29-E112 HydrophobicContact CB-CG 4.42Å; A29-E112 WeakPolarHBondContact CB-OE1 3.23Å
30	D	85.7	Confident	64.9	Low	47 Å²	47	75.3 Å²	75.3	25%	0.251	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	105.4	166.7	-83.3	-9.2	0	0	0	109.7	R32 V106 R109	D30-R32 HydrophobicContact CB-CG 4.29Å; D30-R32 PolarHBondContact O-N 3.36Å; D30-R32 IonicContact OD2-CZ 3.28Å; D30-R32 IonicContact OD2-NE 2.67Å; D30-R32 PolarHBondContact OD2-NE 3.22Å; D30-R32 IonicContact OD2-NH2 3.2Å; D30-R32 PolarHBondContact OD2-NH2 3.02Å; D30-V106 HydrophobicContact CB-CG1 3.99Å; D30-V106 HydrophobicContact CB-CG2 4.11Å; D30-R109 WeakPolarHBondContact OD1-CG 3.42Å; D30-R109 IonicContact OD1-CZ 3.81Å; D30-R109 IonicContact OD1-NE 2.7Å; D30-R109 PolarHBondContact OD1-NE 2.86Å; D30-R109 IonicContact OD1-NH2 3.65Å; D30-R109 PolarHBondContact OD1-NH2 3.35Å
31	M	83.6	Confident	67.6	Low	14 Å²	14	77.3 Å²	77.3	7%	0.069	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.5	166.7	-168.8	-142.1	176	0	0	109.4	A29 L59 V82 K83 D85 V106 I107 V108	A29-M31 PolarHBondContact O-N 2.73Å; M31-L59 HydrophobicContact CE-CD1 4.14Å; M31-L59 HydrophobicContact SD-CD1 3.43Å; M31-L59 WeakPolarHBondContact SD-CD1 3.36Å; M31-V82 HydrophobicContact CE-CG1 4.35Å; M31-K83 WeakPolarHBondContact CE-O 3.04Å; M31-D85 WeakPolarHBondContact CG-OD1 3.45Å; M31-V106 WeakPolarHBondContact O-CA 3.37Å; M31-I107 HydrophobicContact CE-CD1 4.43Å; M31-I107 PolarHBondContact O-N 3.37Å; M31-I107 HydrophobicContact SD-CB 4.37Å; M31-I107 HydrophobicContact SD-CD1 4.31Å; M31-V108 HydrophobicContact CB-CG1 3.71Å; M31-V108 WeakPolarHBondContact CB-O 3.44Å; M31-V108 HydrophobicContact CG-CG1 4.33Å; M31-V108 PolarHBondContact N-O 3.47Å; M31-V108 HydrophobicContact SD-CG1 3.75Å
32	R	85	Confident	70.4	Confident	145 Å²	145	72.5 Å²	72.5	55%	0.547	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144	-173.8	-66.1	177.9	-175.1	-173.5	1.4	112.7	D30 G105 V106	D30-R32 HydrophobicContact CB-CG 4.29Å; D30-R32 PolarHBondContact O-N 3.36Å; D30-R32 IonicContact OD2-CZ 3.28Å; D30-R32 IonicContact OD2-NE 2.67Å; D30-R32 PolarHBondContact OD2-NE 3.22Å; D30-R32 IonicContact OD2-NH2 3.2Å; D30-R32 PolarHBondContact OD2-NH2 3.02Å; R32-G105 CarbonylContact C-O 3.56Å; R32-G105 VanDerWaalsContact CA-O 3.31Å; R32-G105 WeakPolarHBondContact CA-O 3.35Å; R32-V106 HydrophobicContact CG-CB 4.45Å; R32-V106 HydrophobicContact CG-CG2 3.96Å
33	W	84.9	Confident	73	Confident	19 Å²	19	67.3 Å²	67.3	7%	0.072	39%	0.393	C	S	.	.			trans	-65.8	132.7	172.9	-171.2	-129.7	0	0	0	110	S35 A37 L38 L40 K80 V82 I101 G104 G105 I107	W33-S35 PolarHBondContact O-N 2.99Å; W33-A37 HydrophobicContact CZ2-CB 3.59Å; W33-L38 PolarHBondContact NE1-O 2.88Å; W33-L40 HydrophobicContact CD2-CD1 3.85Å; W33-L40 HydrophobicContact CD2-CG 4.37Å; W33-L40 HydrophobicContact CE3-CD1 3.85Å; W33-L40 HydrophobicContact CH2-CD1 3.44Å; W33-L40 VanDerWaalsContact CH2-CD1 3.44Å; W33-L40 HydrophobicContact CH2-CG 4.12Å; W33-L40 HydrophobicContact CZ2-CD1 3.38Å; W33-L40 HydrophobicContact CZ2-CD2 4.15Å; W33-L40 HydrophobicContact CZ2-CG 3.55Å; W33-L40 HydrophobicContact CZ3-CD1 3.66Å; W33-K80 HydrophobicContact CH2-CD 4.31Å; W33-V82 HydrophobicContact CZ3-CG2 4.44Å; W33-I101 HydrophobicContact CB-CG2 4Å; W33-I101 HydrophobicContact CG-CG2 4.47Å; W33-G104 WeakPolarHBondContact O-CA 3.28Å; W33-G104 PolarHBondContact O-N 3.11Å; W33-G105 PolarHBondContact N-O 2.94Å; W33-I107 HydrophobicContact CB-CD1 3.91Å; W33-I107 HydrophobicContact CB-CG1 4.16Å; W33-I107 HydrophobicContact CE3-CD1 3.98Å
34	P	80.6	Confident	75.7	Confident	76 Å²	76	69.2 Å²	69.2	49%	0.494	39%	0.389	S	S	.	.			trans	-58.4	130.7	-173.3	-28.4	36.8	0	0	0	113.3	G36 A37	P34-G36 PolarHBondContact O-N 2.93Å; P34-A37 HydrophobicContact CB-CB 4.31Å; P34-A37 WeakPolarHBondContact O-CB 3.43Å; P34-A37 PolarHBondContact O-N 3.08Å
35	S	76.1	Confident	78	Confident	103 Å²	103	67.2 Å²	67.2	72%	0.72	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15	-172.5	-46.4	0	0	0	0	115.2	W33 P103	W33-S35 PolarHBondContact O-N 2.99Å; S35-P103 WeakPolarHBondContact O-CB 3.35Å
36	G	70.8	Confident	80.3	Confident	84 Å²	84	66.4 Å²	66.4	87%	0.866	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	4.4	174.4	0	0	0	0	0	115.1	P34	P34-G36 PolarHBondContact O-N 2.93Å
37	A	77.1	Confident	81.7	Confident	30 Å²	30	63.3 Å²	63.3	25%	0.248	34%	0.343	C	S	.	.	S	Bend	trans	-89.7	160.7	179.7	0	0	0	0	0	112.4	W33 P34 P103	W33-A37 HydrophobicContact CZ2-CB 3.59Å; P34-A37 HydrophobicContact CB-CB 4.31Å; P34-A37 WeakPolarHBondContact O-CB 3.43Å; P34-A37 PolarHBondContact O-N 3.08Å; A37-P103 VanDerWaalsContact O-CG 3.27Å; A37-P103 WeakPolarHBondContact O-CG 3.25Å
38	L	79.9	Confident	82.8	Confident	87 Å²	87	63.5 Å²	63.5	46%	0.455	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-67.5	152.8	170.7	-74.4	171.3	0	0	0	111.5	W33 L64	W33-L38 PolarHBondContact NE1-O 2.88Å; L38-L64 HydrophobicContact CB-CD2 3.86Å; L38-L64 HydrophobicContact CD1-CD2 4.37Å
39	P	81.1	Confident	83.2	Confident	25 Å²	25	63.7 Å²	63.7	16%	0.162	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-57.7	138.1	172.4	-21.8	33.1	0	0	0	111.9	I65 I100	P39-I65 HydrophobicContact CB-CD1 4.48Å; P39-I65 PolarHBondContact O-N 3.38Å; P39-I65 VanDerWaalsContact O-N 3.09Å; P39-I100 HydrophobicContact CB-CG2 4.02Å
40	L	83.6	Confident	83.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.1	174.9	-75.1	-178	0	0	0	110.3	W33 C62 A63 L64 V82 I100 I101	W33-L40 HydrophobicContact CD2-CD1 3.85Å; W33-L40 HydrophobicContact CD2-CG 4.37Å; W33-L40 HydrophobicContact CE3-CD1 3.85Å; W33-L40 HydrophobicContact CH2-CD1 3.44Å; W33-L40 VanDerWaalsContact CH2-CD1 3.44Å; W33-L40 HydrophobicContact CH2-CG 4.12Å; W33-L40 HydrophobicContact CZ2-CD1 3.38Å; W33-L40 HydrophobicContact CZ2-CD2 4.15Å; W33-L40 HydrophobicContact CZ2-CG 3.55Å; W33-L40 HydrophobicContact CZ3-CD1 3.66Å; L40-C62 HydrophobicContact CB-CB 4.05Å; L40-C62 HydrophobicContact CD1-CB 3.74Å; L40-C62 HydrophobicContact CD2-CB 3.95Å; L40-C62 HydrophobicContact CG-CB 4.14Å; L40-A63 WeakPolarHBondContact CA-O 3.47Å; L40-L64 HydrophobicContact CD2-CD2 3.71Å; L40-L64 HydrophobicContact CD2-CG 3.85Å; L40-V82 HydrophobicContact CD1-CG2 3.78Å; L40-I100 CarbonylContact O-C 3.58Å; L40-I100 WeakPolarHBondContact O-CA 3.46Å; L40-I101 PolarHBondContact N-O 2.79Å; L40-I101 PolarHBondContact O-N 2.96Å
41	R	84.4	Confident	83.1	Confident	131 Å²	131	65.2 Å²	65.2	49%	0.494	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120.3	158.9	-165.4	178.1	-171.9	-164.9	-2.6	108.6	L43 C62 A63 I65 G98 Q99	R41-L43 PolarHBondContact O-N 3.43Å; R41-C62 CarbonylContact O-C 3.53Å; R41-C62 VanDerWaalsContact O-CA 3.23Å; R41-C62 WeakPolarHBondContact O-CA 3.05Å; R41-C62 WeakPolarHBondContact O-CB 2.86Å; R41-A63 PolarHBondContact N-O 2.77Å; R41-A63 PolarHBondContact O-N 2.8Å; R41-I65 HydrophobicContact CB-CD1 4.13Å; R41-I65 HydrophobicContact CB-CG1 4.24Å; R41-G98 WeakPolarHBondContact CG-O 3.42Å; R41-G98 PolarHBondContact NE-O 3.46Å; R41-Q99 WeakPolarHBondContact CA-O 3.4Å
42	L	85.3	Confident	82.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.8	171	177.1	59.3	0	0	0	109.1	W45 A60 C95 G98 Q99 I101	L42-W45 HydrophobicContact CD1-CD2 4.4Å; L42-W45 HydrophobicContact CD2-CD2 4.18Å; L42-W45 VanDerWaalsContact CD2-CE2 3.49Å; L42-W45 HydrophobicContact CD2-CH2 4.45Å; L42-W45 HydrophobicContact CD2-CZ2 3.66Å; L42-A60 HydrophobicContact CD1-CB 3.59Å; L42-C95 HydrophobicContact CD2-CB 3.88Å; L42-G98 VanDerWaalsContact O-CA 3.23Å; L42-G98 WeakPolarHBondContact O-CA 3.44Å; L42-G98 PolarHBondContact O-N 2.8Å; L42-Q99 PolarHBondContact N-O 3.16Å; L42-I101 HydrophobicContact CB-CD1 4.39Å
43	L	84.9	Confident	82.8	Confident	76 Å²	76	62 Å²	62	40%	0.398	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-52.4	175.2	-56.3	176.5	0	0	0	110.2	R41 L61 A63 E79	R41-L43 PolarHBondContact O-N 3.43Å; L43-L61 WeakPolarHBondContact CA-O 3.4Å; L43-L61 WeakPolarHBondContact CB-O 3.47Å; L43-L61 PolarHBondContact N-O 3.16Å; L43-A63 HydrophobicContact CD1-CB 4.18Å; L43-A63 HydrophobicContact CD2-CB 4.05Å; L43-A63 HydrophobicContact CG-CB 4.27Å; L43-E79 HydrophobicContact CD1-CG 4.24Å
44	E	87	Confident	82.5	Confident	86 Å²	86	64.1 Å²	64.1	40%	0.402	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	136.9	-170.3	-160	-162	154.6	0	0	110.4	K46 A60 L61	E44-K46 WeakPolarHBondContact OE1-CE 3.5Å; E44-K46 IonicContact OE1-NZ 3.46Å; E44-K46 PolarHBondContact OE1-NZ 2.85Å; E44-K46 WeakPolarHBondContact OE2-CE 3.2Å; E44-K46 IonicContact OE2-NZ 3.47Å; E44-K46 PolarHBondContact OE2-NZ 3.42Å; E44-A60 CarbonylContact O-C 3.54Å; E44-A60 WeakPolarHBondContact O-CA 3.49Å; E44-A60 WeakPolarHBondContact O-CB 3.37Å; E44-L61 HydrophobicContact CB-CB 4.37Å; E44-L61 PolarHBondContact N-O 2.98Å; E44-L61 PolarHBondContact O-N 3.2Å
45	W	88	Confident	82.4	Confident	38 Å²	38	63.2 Å²	63.2	14%	0.144	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.2	166.4	-74.4	119.7	0	0	0	110	L42 V47 A60 L93 C95 I107	L42-W45 HydrophobicContact CD1-CD2 4.4Å; L42-W45 HydrophobicContact CD2-CD2 4.18Å; L42-W45 VanDerWaalsContact CD2-CE2 3.49Å; L42-W45 HydrophobicContact CD2-CH2 4.45Å; L42-W45 HydrophobicContact CD2-CZ2 3.66Å; W45-V47 HydrophobicContact CE3-CG2 4.49Å; W45-A60 HydrophobicContact CE3-CB 3.79Å; W45-A60 HydrophobicContact CZ3-CB 3.95Å; W45-L93 HydrophobicContact CB-CD1 4.48Å; W45-L93 HydrophobicContact CD2-CD1 4Å; W45-L93 HydrophobicContact CD2-CD2 3.94Å; W45-L93 HydrophobicContact CD2-CG 4.41Å; W45-L93 HydrophobicContact CE3-CD2 3.85Å; W45-L93 HydrophobicContact CG-CD1 3.9Å; W45-L93 HydrophobicContact CH2-CD2 4.04Å; W45-L93 HydrophobicContact CZ2-CB 3.91Å; W45-L93 HydrophobicContact CZ2-CD2 4.09Å; W45-L93 HydrophobicContact CZ2-CG 4.46Å; W45-L93 HydrophobicContact CZ3-CD2 3.92Å; W45-C95 HydrophobicContact CZ2-CB 4.03Å; W45-C95 WeakPolarHBondContact CZ2-O 3.49Å; W45-C95 PolarHBondContact NE1-O 2.87Å; W45-I107 HydrophobicContact CH2-CG2 3.69Å; W45-I107 WeakPolarHBondContact CH2-O 3.35Å; W45-I107 HydrophobicContact CZ3-CG2 4.05Å
46	K	87.3	Confident	82.6	Confident	107 Å²	107	62.9 Å²	62.9	47%	0.465	36%	0.357	S	S	.	.	S	Bend	trans	-103.3	-1.7	172.1	-65.6	-60.6	-178.4	-172	0	113.1	E44 V58 L59 L61	E44-K46 WeakPolarHBondContact OE1-CE 3.5Å; E44-K46 IonicContact OE1-NZ 3.46Å; E44-K46 PolarHBondContact OE1-NZ 2.85Å; E44-K46 WeakPolarHBondContact OE2-CE 3.2Å; E44-K46 IonicContact OE2-NZ 3.47Å; E44-K46 PolarHBondContact OE2-NZ 3.42Å; K46-V58 WeakPolarHBondContact CB-O 3.32Å; K46-V58 HydrophobicContact CG-CG1 4.37Å; K46-L59 PolarHBondContact N-O 3.39Å; K46-L61 HydrophobicContact CG-CG 4.39Å
47	V	86.9	Confident	83.2	Confident	18 Å²	18	60.6 Å²	60.6	11%	0.109	33%	0.328	C	S	.	.			trans	-130.7	161.6	176.2	-60.8	0	0	0	0	110.3	W45 V53 L59 V90 L93	W45-V47 HydrophobicContact CE3-CG2 4.49Å; V47-V53 HydrophobicContact CB-CG1 4.43Å; V47-V53 HydrophobicContact CG1-CG1 3.76Å; V47-L59 HydrophobicContact CG1-CD2 4.24Å; V47-L59 HydrophobicContact CG2-CB 4.33Å; V47-L59 HydrophobicContact CG2-CD2 3.93Å; V47-V90 HydrophobicContact CG2-CG2 4.19Å; V47-L93 HydrophobicContact CG2-CD2 4.24Å
48	K	87.9	Confident	83.7	Confident	154 Å²	154	61.5 Å²	61.5	67%	0.67	33%	0.33	S	S	*	.			trans	-121.4	165.1	177.2	-64.2	176.5	-176.4	172.7	0	109.8	G50 S51 V90	K48-G50 PolarHBondContact O-N 3.4Å; K48-S51 PolarHBondContact N-OG 2.82Å; K48-S51 WeakPolarHBondContact O-CB 3.47Å; K48-S51 PolarHBondContact O-N 2.96Å; K48-S51 PolarHBondContact O-OG 2.7Å; K48-V90 WeakPolarHBondContact O-CB 3.21Å; K48-V90 WeakPolarHBondContact O-CG1 3.44Å
49	P	86.4	Confident	84	Confident	81 Å²	81	57.4 Å²	57.4	53%	0.526	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	135.3	159.3	-23.3	35.8	0	0	0	110.2	S51 V90 L93	P49-S51 VanDerWaalsContact C-N 3.33Å; P49-V90 CarbonylContact C-O 3.56Å; P49-V90 WeakPolarHBondContact CA-O 3.45Å; P49-L93 HydrophobicContact CG-CD1 4.43Å; P49-L93 HydrophobicContact CG-CG 4.28Å
50	G	80.6	Confident	84.2	Confident	61 Å²	61	56.2 Å²	56.2	63%	0.629	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-7.4	-171.1	0	0	0	0	0	115.3	K48 L52 V90	K48-G50 PolarHBondContact O-N 3.4Å; G50-L52 PolarHBondContact O-N 2.96Å; G50-V90 PolarHBondContact N-O 2.65Å
51	S	83.3	Confident	84.3	Confident	35 Å²	35	57.3 Å²	57.3	25%	0.245	31%	0.306	C	S	.	.			trans	-71.7	128	173.8	-65.2	0	0	0	0	111.5	K48 P49 V90	K48-S51 PolarHBondContact N-OG 2.82Å; K48-S51 WeakPolarHBondContact O-CB 3.47Å; K48-S51 PolarHBondContact O-N 2.96Å; K48-S51 PolarHBondContact O-OG 2.7Å; P49-S51 VanDerWaalsContact C-N 3.33Å; S51-V90 PolarHBondContact O-N 2.91Å
52	L	80.7	Confident	84.4	Confident	87 Å²	87	51.1 Å²	51.1	46%	0.455	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.5	168.4	-149.3	162.2	0	0	0	108.8	G50 V89 C126	G50-L52 PolarHBondContact O-N 2.96Å; L52-V89 HydrophobicContact CG-CG2 4.38Å; L52-C126 HydrophobicContact CD2-CB 4.23Å
53	V	82.3	Confident	84.3	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.9	-177.9	-64.3	0	0	0	0	110.3	V47 L59 A87 G88 V90 I110	V47-V53 HydrophobicContact CB-CG1 4.43Å; V47-V53 HydrophobicContact CG1-CG1 3.76Å; V53-L59 HydrophobicContact CB-CD2 4.25Å; V53-L59 HydrophobicContact CG1-CD2 3.81Å; V53-L59 HydrophobicContact CG2-CD2 4.32Å; V53-A87 CarbonylContact O-C 3.5Å; V53-A87 WeakPolarHBondContact O-CA 3.46Å; V53-G88 WeakPolarHBondContact CG2-O 3.5Å; V53-G88 PolarHBondContact N-O 2.85Å; V53-G88 PolarHBondContact O-N 3.19Å; V53-V90 HydrophobicContact CG1-CG2 3.84Å; V53-V90 HydrophobicContact CG2-CG2 4Å; V53-I110 HydrophobicContact CG2-CD1 4.02Å; V53-I110 HydrophobicContact CG2-CG1 4.41Å; V53-I110 HydrophobicContact CG2-CG2 4.46Å
54	N	78.9	Confident	84	Confident	65 Å²	65	50.4 Å²	50.4	35%	0.348	28%	0.281	S	S	.	.			trans	-95	167.4	173	-63.2	-7.2	0	0	0	110.2	S57	N54-S57 WeakPolarHBondContact CA-OG 3.37Å; N54-S57 PolarHBondContact N-OG 3.42Å; N54-S57 WeakPolarHBondContact O-CB 3.38Å; N54-S57 PolarHBondContact O-N 2.58Å; N54-S57 VanDerWaalsContact O-N 3.1Å; N54-S57 PolarHBondContact O-OG 3.37Å
55	V	78.2	Confident	83.5	Confident	56 Å²	56	48.8 Å²	48.8	34%	0.339	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	144.6	167.2	-174.5	0	0	0	0	110	S57 A87	V55-S57 PolarHBondContact O-N 3.24Å; V55-A87 HydrophobicContact CG2-CB 4.36Å
56	D	79.9	Confident	82.4	Confident	96 Å²	96	50.3 Å²	50.3	51%	0.513	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	-1.4	-176	-87.9	-74.4	0	0	0	116.5	K83 S84	D56-K83 HydrophobicContact CB-CD 4.27Å; D56-K83 VanDerWaalsContact O-CD 3.32Å; D56-K83 WeakPolarHBondContact O-CD 3.49Å; D56-K83 WeakPolarHBondContact O-CE 3.36Å; D56-K83 VanDerWaalsContact O-CG 3.31Å; D56-K83 WeakPolarHBondContact O-CG 3.39Å; D56-K83 WeakPolarHBondContact OD1-CD 3.39Å; D56-K83 WeakPolarHBondContact OD1-CE 3.36Å; D56-K83 IonicContact OD1-NZ 3.48Å; D56-K83 PolarHBondContact OD1-NZ 3.2Å; D56-S84 PolarHBondContact N-O 3Å
57	S	84.3	Confident	80.9	Confident	37 Å²	37	52.9 Å²	52.9	26%	0.259	31%	0.309	S	S	.	.			trans	-63.1	136.8	177.1	-60.9	0	0	0	0	112.3	N54 V55 L59 K83 S84	N54-S57 WeakPolarHBondContact CA-OG 3.37Å; N54-S57 PolarHBondContact N-OG 3.42Å; N54-S57 WeakPolarHBondContact O-CB 3.38Å; N54-S57 PolarHBondContact O-N 2.58Å; N54-S57 VanDerWaalsContact O-N 3.1Å; N54-S57 PolarHBondContact O-OG 3.37Å; V55-S57 PolarHBondContact O-N 3.24Å; S57-L59 PolarHBondContact O-N 2.89Å; S57-K83 CarbonylContact O-C 3.35Å; S57-K83 WeakPolarHBondContact O-CA 3.4Å; S57-S84 PolarHBondContact O-N 3.49Å
58	V	87.4	Confident	78.9	Confident	49 Å²	49	59 Å²	59	30%	0.297	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	106.3	-177.7	-178.1	0	0	0	0	110.5	K46 K81 V82 K83	K46-V58 WeakPolarHBondContact CB-O 3.32Å; K46-V58 HydrophobicContact CG-CG1 4.37Å; V58-K81 HydrophobicContact CG1-CB 4.01Å; V58-K81 HydrophobicContact CG1-CD 4.39Å; V58-K81 HydrophobicContact CG1-CG 4.06Å; V58-K81 HydrophobicContact CG2-CB 4.33Å; V58-K81 HydrophobicContact CG2-CD 4.07Å; V58-K81 HydrophobicContact CG2-CG 4.48Å; V58-V82 CarbonylContact C-O 3.6Å; V58-K83 HydrophobicContact CG2-CG 4.44Å
59	L	85.4	Confident	76.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-41.4	178.1	-60.1	172.3	0	0	0	111.8	M31 K46 V47 V53 S57 V82 V108	M31-L59 HydrophobicContact CE-CD1 4.14Å; M31-L59 HydrophobicContact SD-CD1 3.43Å; M31-L59 WeakPolarHBondContact SD-CD1 3.36Å; K46-L59 PolarHBondContact N-O 3.39Å; V47-L59 HydrophobicContact CG1-CD2 4.24Å; V47-L59 HydrophobicContact CG2-CB 4.33Å; V47-L59 HydrophobicContact CG2-CD2 3.93Å; V53-L59 HydrophobicContact CB-CD2 4.25Å; V53-L59 HydrophobicContact CG1-CD2 3.81Å; V53-L59 HydrophobicContact CG2-CD2 4.32Å; S57-L59 PolarHBondContact O-N 2.89Å; L59-V82 PolarHBondContact N-O 2.77Å; L59-V108 HydrophobicContact CD1-CG1 3.85Å
60	A	85.7	Confident	74.9	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.008	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	158.6	-172.3	0	0	0	0	0	113.8	L42 E44 W45 K81 V82	L42-A60 HydrophobicContact CD1-CB 3.59Å; E44-A60 CarbonylContact O-C 3.54Å; E44-A60 WeakPolarHBondContact O-CA 3.49Å; E44-A60 WeakPolarHBondContact O-CB 3.37Å; W45-A60 HydrophobicContact CE3-CB 3.79Å; W45-A60 HydrophobicContact CZ3-CB 3.95Å; A60-K81 WeakPolarHBondContact O-CA 3.4Å; A60-V82 HydrophobicContact CB-CB 4.26Å; A60-V82 PolarHBondContact N-O 3.07Å; A60-V82 PolarHBondContact O-N 3.08Å
61	L	86.4	Confident	72.9	Confident	22 Å²	22	68 Å²	68	12%	0.115	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.5	162.9	-59.3	-176.4	0	0	0	109.5	L43 E44 K46 K81	L43-L61 WeakPolarHBondContact CA-O 3.4Å; L43-L61 WeakPolarHBondContact CB-O 3.47Å; L43-L61 PolarHBondContact N-O 3.16Å; E44-L61 HydrophobicContact CB-CB 4.37Å; E44-L61 PolarHBondContact N-O 2.98Å; E44-L61 PolarHBondContact O-N 3.2Å; K46-L61 HydrophobicContact CG-CG 4.39Å; L61-K81 HydrophobicContact CD2-CG 3.67Å
62	C	84.8	Confident	71.1	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.007	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.1	-178.6	-66.2	0	0	0	0	112	L40 R41 K80 V82	L40-C62 HydrophobicContact CB-CB 4.05Å; L40-C62 HydrophobicContact CD1-CB 3.74Å; L40-C62 HydrophobicContact CD2-CB 3.95Å; L40-C62 HydrophobicContact CG-CB 4.14Å; R41-C62 CarbonylContact O-C 3.53Å; R41-C62 VanDerWaalsContact O-CA 3.23Å; R41-C62 WeakPolarHBondContact O-CA 3.05Å; R41-C62 WeakPolarHBondContact O-CB 2.86Å; C62-K80 PolarHBondContact N-O 3.44Å; C62-K80 PolarHBondContact O-N 3.48Å; C62-V82 HydrophobicContact CB-CG2 4.18Å; C62-V82 VanDerWaalsContact SG-CG2 3.6Å
63	A	84.3	Confident	69	Low	14 Å²	14	75.6 Å²	75.6	12%	0.116	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.3	168.6	0	0	0	0	0	110.7	L40 R41 L43	L40-A63 WeakPolarHBondContact CA-O 3.47Å; R41-A63 PolarHBondContact N-O 2.77Å; R41-A63 PolarHBondContact O-N 2.8Å; L43-A63 HydrophobicContact CD1-CB 4.18Å; L43-A63 HydrophobicContact CD2-CB 4.05Å; L43-A63 HydrophobicContact CG-CB 4.27Å
64	L	78	Confident	67.1	Low	47 Å²	47	80.7 Å²	80.7	25%	0.246	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129.2	170.5	-82.5	160.6	0	0	0	110.7	L38 L40 K80	L38-L64 HydrophobicContact CB-CD2 3.86Å; L38-L64 HydrophobicContact CD1-CD2 4.37Å; L40-L64 HydrophobicContact CD2-CD2 3.71Å; L40-L64 HydrophobicContact CD2-CG 3.85Å; L64-K80 HydrophobicContact CD1-CD 4.49Å
65	I	75.8	Confident	65.5	Low	53 Å²	53	81.5 Å²	81.5	27%	0.272	47%	0.469	S	S	.	.			trans	-90.8	109.2	173.5	-51.8	-178.7	0	0	0	108.4	P39 R41 I100	P39-I65 HydrophobicContact CB-CD1 4.48Å; P39-I65 PolarHBondContact O-N 3.38Å; P39-I65 VanDerWaalsContact O-N 3.09Å; R41-I65 HydrophobicContact CB-CD1 4.13Å; R41-I65 HydrophobicContact CB-CG1 4.24Å; I65-I100 HydrophobicContact CD1-CB 4.26Å; I65-I100 HydrophobicContact CD1-CD1 3.68Å; I65-I100 HydrophobicContact CD1-CG1 3.72Å; I65-I100 HydrophobicContact CD1-CG2 3.63Å
66	A	65.7	Low	64.3	Low	70 Å²	70	90.1 Å²	90.1	58%	0.579	50%	0.496	S	S	*	.			trans	-70.5	130.7	170.1	0	0	0	0	0	109.9	D68	A66-D68 VanDerWaalsContact C-N 3.35Å; A66-D68 PolarHBondContact O-N 3.05Å
67	Q	55.8	Low	63.2	Low	160 Å²	160	90.2 Å²	90.2	75%	0.748	50%	0.496	S	S	*	.			trans	-84.7	77.2	168.7	-73.1	-171.4	-10.5	0	0	110.1
68	D	45.2	Very low	62.3	Low	148 Å²	148	92.8 Å²	92.8	79%	0.791	51%	0.512	S	S	*	.			trans	-157	170.1	149.3	-124.4	-37.6	0	0	0	112.8	A66	A66-D68 VanDerWaalsContact C-N 3.35Å; A66-D68 PolarHBondContact O-N 3.05Å
69	K	44.8	Very low	61.9	Low	170 Å²	170	96.4 Å²	96.4	74%	0.739	53%	0.526	S	S	*	.			trans	-79.6	150.4	-156.3	-60.7	175.8	-175.2	174.8	0	116.5	T71	K69-T71 PolarHBondContact O-N 3.42Å
70	E	46.2	Very low	61.7	Low	184 Å²	184	101 Å²	101	86%	0.86	55%	0.545	S	S	*	.			trans	28.6	87.9	147.8	-65.1	179.6	124.2	0	0	117.3
71	T	37.3	Very low	61.8	Low	130 Å²	130	107.5 Å²	107.5	80%	0.798	57%	0.573	S	S	*	*			trans	-149.1	124.4	145.8	-39.3	0	0	0	0	110.1	K69 A73	K69-T71 PolarHBondContact O-N 3.42Å; T71-A73 PolarHBondContact O-N 2.89Å; T71-A73 VanDerWaalsContact O-N 3.08Å
72	E	45.2	Very low	61.7	Low	205 Å²	205	106.7 Å²	106.7	96%	0.958	57%	0.569	S	S	*	*			trans	-72.3	98.9	169.3	-73.7	-170.7	117.3	0	0	110
73	A	36.7	Very low	61.7	Low	77 Å²	77	111.2 Å²	111.2	64%	0.636	59%	0.589	S	S	*	*			trans	-142.2	121.5	165.4	0	0	0	0	0	109.1	T71 A75	T71-A73 PolarHBondContact O-N 2.89Å; T71-A73 VanDerWaalsContact O-N 3.08Å; A73-A75 PolarHBondContact O-N 3.29Å
74	A	43	Very low	61.7	Low	110 Å²	110	110.8 Å²	110.8	91%	0.909	59%	0.585	S	S	*	*			trans	-76.7	48.8	-177.9	0	0	0	0	0	113	R76	A74-R76 PolarHBondContact O-N 3.13Å
75	A	45.1	Very low	61.7	Low	81 Å²	81	112.6 Å²	112.6	67%	0.669	60%	0.595	S	S	*	*			trans	-68.9	121.2	165.9	0	0	0	0	0	108.5	A73 L77	A73-A75 PolarHBondContact O-N 3.29Å; A75-L77 PolarHBondContact O-N 2.8Å
76	R	52.5	Low	61.7	Low	237 Å²	237	113.4 Å²	113.4	89%	0.894	60%	0.595	S	S	*	*			trans	-61.2	106.1	171.6	-76.1	179.9	171.7	153.2	-5	108.6	A74	A74-R76 PolarHBondContact O-N 3.13Å
77	L	57	Low	62.3	Low	98 Å²	98	110.8 Å²	110.8	51%	0.513	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-57	140	170.1	-76.4	161.8	0	0	0	109	A75 E79	A75-L77 PolarHBondContact O-N 2.8Å; L77-E79 PolarHBondContact O-N 2.82Å; L77-E79 VanDerWaalsContact O-N 3.16Å
78	P	65.8	Low	63.5	Low	91 Å²	91	103.2 Å²	103.2	59%	0.591	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-63.1	120	-175.5	24.9	-33.6	0	0	0	110.7	K80	P78-K80 PolarHBondContact O-N 3.48Å
79	E	78.9	Confident	65.4	Low	126 Å²	126	98.3 Å²	98.3	59%	0.589	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	116.8	177.9	-68.1	172.3	-155.2	0	0	110.1	L43 L77	L43-E79 HydrophobicContact CD1-CG 4.24Å; L77-E79 PolarHBondContact O-N 2.82Å; L77-E79 VanDerWaalsContact O-N 3.16Å
80	K	82	Confident	67.3	Low	95 Å²	95	90.2 Å²	90.2	41%	0.413	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.2	175.6	-170.3	168.1	-176.5	174.3	0	109.5	W33 C62 L64 P78 V82	W33-K80 HydrophobicContact CH2-CD 4.31Å; C62-K80 PolarHBondContact N-O 3.44Å; C62-K80 PolarHBondContact O-N 3.48Å; L64-K80 HydrophobicContact CD1-CD 4.49Å; P78-K80 PolarHBondContact O-N 3.48Å; K80-V82 PolarHBondContact O-N 3.26Å
81	K	86.4	Confident	69.3	Low	138 Å²	138	86.3 Å²	86.3	60%	0.6	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	117.4	166.9	-69.4	176.7	176.5	-174.2	0	108.7	V58 A60 L61	V58-K81 HydrophobicContact CG1-CB 4.01Å; V58-K81 HydrophobicContact CG1-CD 4.39Å; V58-K81 HydrophobicContact CG1-CG 4.06Å; V58-K81 HydrophobicContact CG2-CB 4.33Å; V58-K81 HydrophobicContact CG2-CD 4.07Å; V58-K81 HydrophobicContact CG2-CG 4.48Å; A60-K81 WeakPolarHBondContact O-CA 3.4Å; L61-K81 HydrophobicContact CD2-CG 3.67Å
82	V	85.2	Confident	71.6	Confident	5 Å²	5	84.5 Å²	84.5	3%	0.03	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126	165.9	177.4	0	0	0	0	107	M31 W33 L40 V58 L59 A60 C62 K80 I107	M31-V82 HydrophobicContact CE-CG1 4.35Å; W33-V82 HydrophobicContact CZ3-CG2 4.44Å; L40-V82 HydrophobicContact CD1-CG2 3.78Å; V58-V82 CarbonylContact C-O 3.6Å; L59-V82 PolarHBondContact N-O 2.77Å; A60-V82 HydrophobicContact CB-CB 4.26Å; A60-V82 PolarHBondContact N-O 3.07Å; A60-V82 PolarHBondContact O-N 3.08Å; C62-V82 HydrophobicContact CB-CG2 4.18Å; C62-V82 VanDerWaalsContact SG-CG2 3.6Å; K80-V82 PolarHBondContact O-N 3.26Å; V82-I107 HydrophobicContact CG1-CD1 4.07Å
83	K	85.5	Confident	73.7	Confident	97 Å²	97	76.8 Å²	76.8	42%	0.422	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151.2	-179.9	-69.2	-178.8	148.5	-161.4	0	110.8	M31 D56 S57 V58	M31-K83 WeakPolarHBondContact CE-O 3.04Å; D56-K83 HydrophobicContact CB-CD 4.27Å; D56-K83 VanDerWaalsContact O-CD 3.32Å; D56-K83 WeakPolarHBondContact O-CD 3.49Å; D56-K83 WeakPolarHBondContact O-CE 3.36Å; D56-K83 VanDerWaalsContact O-CG 3.31Å; D56-K83 WeakPolarHBondContact O-CG 3.39Å; D56-K83 WeakPolarHBondContact OD1-CD 3.39Å; D56-K83 WeakPolarHBondContact OD1-CE 3.36Å; D56-K83 IonicContact OD1-NZ 3.48Å; D56-K83 PolarHBondContact OD1-NZ 3.2Å; S57-K83 CarbonylContact O-C 3.35Å; S57-K83 WeakPolarHBondContact O-CA 3.4Å; V58-K83 HydrophobicContact CG2-CG 4.44Å
84	S	82.9	Confident	76	Confident	4 Å²	4	75 Å²	75	3%	0.028	39%	0.388	C	S	.	.			trans	-67.8	140.6	172.1	-158.3	0	0	0	0	111.4	D56 S57 R86 I110	D56-S84 PolarHBondContact N-O 3Å; S57-S84 PolarHBondContact O-N 3.49Å; S84-R86 WeakPolarHBondContact CB-O 3.46Å; S84-R86 PolarHBondContact OG-O 2.66Å; S84-I110 WeakPolarHBondContact OG-CD1 3.27Å
85	D	78.6	Confident	78	Confident	86 Å²	86	70.2 Å²	70.2	46%	0.46	35%	0.348	S	S	.	.	S	Bend	trans	-92.1	-8.7	172.5	69.4	-24.2	0	0	0	113	M31	M31-D85 WeakPolarHBondContact CG-OD1 3.45Å
86	R	75.9	Confident	79.7	Confident	70 Å²	70	73.4 Å²	73.4	26%	0.264	35%	0.349	S	S	.	.	S	Bend	trans	-143.1	160.3	-176.6	64	-160.4	65.1	-126.1	-6.4	111.6	S84 I110 E112	S84-R86 WeakPolarHBondContact CB-O 3.46Å; S84-R86 PolarHBondContact OG-O 2.66Å; R86-I110 HydrophobicContact CG-CB 4.34Å; R86-I110 HydrophobicContact CG-CD1 3.83Å; R86-I110 HydrophobicContact CG-CG2 4.23Å; R86-E112 WeakPolarHBondContact CD-OE1 3.49Å; R86-E112 IonicContact CZ-OE1 2.61Å; R86-E112 IonicContact NE-OE1 2.72Å; R86-E112 IonicContact NH1-OE1 2.65Å; R86-E112 PolarHBondContact NH1-OE1 2.76Å
87	A	78.5	Confident	81.2	Confident	14 Å²	14	66.3 Å²	66.3	12%	0.116	33%	0.334	C	S	.	.			trans	-94	151.8	170.7	0	0	0	0	0	111.3	V53 V55 Q128	V53-A87 CarbonylContact O-C 3.5Å; V53-A87 WeakPolarHBondContact O-CA 3.46Å; V55-A87 HydrophobicContact CG2-CB 4.36Å; A87-Q128 HydrophobicContact CB-CG 4.28Å
88	G	81.5	Confident	82.1	Confident	2 Å²	2	63 Å²	63	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-164.6	178.1	0	0	0	0	0	114.1	V53 E111	V53-G88 WeakPolarHBondContact CG2-O 3.5Å; V53-G88 PolarHBondContact N-O 2.85Å; V53-G88 PolarHBondContact O-N 3.19Å; G88-E111 CarbonylContact C-O 3.59Å; G88-E111 WeakPolarHBondContact CA-O 3.45Å
89	V	84.1	Confident	83	Confident	45 Å²	45	62.8 Å²	62.8	27%	0.273	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.2	178.8	-178.1	0	0	0	0	110.7	L52 K91 I110 E111	L52-V89 HydrophobicContact CG-CG2 4.38Å; V89-K91 PolarHBondContact O-N 3.09Å; V89-I110 CarbonylContact O-C 3.57Å; V89-I110 WeakPolarHBondContact O-CA 3.18Å; V89-E111 PolarHBondContact N-O 3.48Å; V89-E111 PolarHBondContact O-N 2.9Å
90	V	85.6	Confident	83.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	111.8	175.8	173.3	0	0	0	0	110.1	V47 K48 P49 G50 S51 V53 L93 V108 I110	V47-V90 HydrophobicContact CG2-CG2 4.19Å; K48-V90 WeakPolarHBondContact O-CB 3.21Å; K48-V90 WeakPolarHBondContact O-CG1 3.44Å; P49-V90 CarbonylContact C-O 3.56Å; P49-V90 WeakPolarHBondContact CA-O 3.45Å; G50-V90 PolarHBondContact N-O 2.65Å; S51-V90 PolarHBondContact O-N 2.91Å; V53-V90 HydrophobicContact CG1-CG2 3.84Å; V53-V90 HydrophobicContact CG2-CG2 4Å; V90-L93 HydrophobicContact CG1-CD2 3.77Å; V90-L93 HydrophobicContact CG1-CG 4.4Å; V90-V108 HydrophobicContact CB-CG2 4.33Å; V90-V108 HydrophobicContact CG1-CG2 3.53Å; V90-V108 HydrophobicContact CG2-CG2 4.09Å; V90-I110 HydrophobicContact CG2-CG1 4.47Å
91	K	87.1	Confident	83.3	Confident	101 Å²	101	57.1 Å²	57.1	44%	0.439	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-48.4	174.3	-70.6	-64.8	-164.9	-165.1	0	112.6	V89 R109 E111	V89-K91 PolarHBondContact O-N 3.09Å; K91-R109 PolarHBondContact N-O 2.85Å; K91-E111 HydrophobicContact CD-CB 4.37Å; K91-E111 WeakPolarHBondContact CE-OE1 3.34Å; K91-E111 WeakPolarHBondContact CE-OE2 3.43Å; K91-E111 HydrophobicContact CG-CB 3.92Å; K91-E111 IonicContact NZ-OE1 2.67Å; K91-E111 PolarHBondContact NZ-OE1 2.94Å; K91-E111 IonicContact NZ-OE2 3.52Å; K91-E111 PolarHBondContact NZ-OE2 2.71Å
92	E	86.3	Confident	83.1	Confident	92 Å²	92	54 Å²	54	43%	0.43	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.5	-168.8	-172.1	-178	-170.2	0	0	111.5	C94 V108 R109	E92-C94 PolarHBondContact O-N 2.86Å; E92-V108 WeakPolarHBondContact O-CA 3.49Å; E92-V108 WeakPolarHBondContact O-CG2 3.33Å; E92-R109 HydrophobicContact CB-CB 4.16Å; E92-R109 PolarHBondContact N-O 2.92Å; E92-R109 PolarHBondContact O-N 2.87Å; E92-R109 WeakPolarHBondContact OE2-CD 3.49Å; E92-R109 IonicContact OE2-CZ 2.69Å; E92-R109 IonicContact OE2-NE 3.72Å; E92-R109 IonicContact OE2-NH1 2.73Å; E92-R109 PolarHBondContact OE2-NH1 3.44Å
93	L	88.8	Confident	82.9	Confident	43 Å²	43	56.4 Å²	56.4	23%	0.225	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	105.2	171.3	-61.9	-180	0	0	0	108.9	W45 V47 P49 V90 C95 V108	W45-L93 HydrophobicContact CB-CD1 4.48Å; W45-L93 HydrophobicContact CD2-CD1 4Å; W45-L93 HydrophobicContact CD2-CD2 3.94Å; W45-L93 HydrophobicContact CD2-CG 4.41Å; W45-L93 HydrophobicContact CE3-CD2 3.85Å; W45-L93 HydrophobicContact CG-CD1 3.9Å; W45-L93 HydrophobicContact CH2-CD2 4.04Å; W45-L93 HydrophobicContact CZ2-CB 3.91Å; W45-L93 HydrophobicContact CZ2-CD2 4.09Å; W45-L93 HydrophobicContact CZ2-CG 4.46Å; W45-L93 HydrophobicContact CZ3-CD2 3.92Å; V47-L93 HydrophobicContact CG2-CD2 4.24Å; P49-L93 HydrophobicContact CG-CD1 4.43Å; P49-L93 HydrophobicContact CG-CG 4.28Å; V90-L93 HydrophobicContact CG1-CD2 3.77Å; V90-L93 HydrophobicContact CG1-CG 4.4Å; L93-C95 PolarHBondContact O-N 2.84Å; L93-V108 HydrophobicContact CD2-CG2 4.02Å
94	C	84.9	Confident	82.6	Confident	40 Å²	40	53 Å²	53	27%	0.27	29%	0.294	S	S	.	.			trans	-81	2.1	-168.8	-60.6	0	0	0	0	114.1	E92 V106 I107	E92-C94 PolarHBondContact O-N 2.86Å; C94-V106 HydrophobicContact CB-CB 4.29Å; C94-V106 HydrophobicContact CB-CG1 4.1Å; C94-I107 WeakPolarHBondContact CB-O 3.23Å; C94-I107 PolarHBondContact N-O 3.36Å
95	C	84.4	Confident	82.6	Confident	10 Å²	10	53.6 Å²	53.6	7%	0.068	30%	0.301	C	S	.	.	S	Bend	trans	-137.6	143	-177.5	-68.7	0	0	0	0	111.5	L42 W45 L93 I101	L42-C95 HydrophobicContact CD2-CB 3.88Å; W45-C95 HydrophobicContact CZ2-CB 4.03Å; W45-C95 WeakPolarHBondContact CZ2-O 3.49Å; W45-C95 PolarHBondContact NE1-O 2.87Å; L93-C95 PolarHBondContact O-N 2.84Å; C95-I101 HydrophobicContact CB-CD1 4.25Å; C95-I101 HydrophobicContact CB-CG1 4.4Å
96	Q	82.5	Confident	82.9	Confident	148 Å²	148	51.3 Å²	51.3	69%	0.692	29%	0.29	S	S	*	.			trans	-91.7	147.3	174	-65.7	-169.4	-2.3	0	0	112.1	G98 Q99	Q96-G98 PolarHBondContact O-N 2.98Å; Q96-Q99 WeakPolarHBondContact O-CB 3.14Å; Q96-Q99 PolarHBondContact O-N 2.85Å
97	P	82.8	Confident	83.4	Confident	88 Å²	88	48 Å²	48	57%	0.571	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	132.9	173	-28.2	36.4	0	0	0	112.5
98	G	76.9	Confident	83.7	Confident	28 Å²	28	47.4 Å²	47.4	29%	0.289	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-11.3	-174.4	0	0	0	0	0	115.6	R41 L42 Q96	R41-G98 WeakPolarHBondContact CG-O 3.42Å; R41-G98 PolarHBondContact NE-O 3.46Å; L42-G98 VanDerWaalsContact O-CA 3.23Å; L42-G98 WeakPolarHBondContact O-CA 3.44Å; L42-G98 PolarHBondContact O-N 2.8Å; Q96-G98 PolarHBondContact O-N 2.98Å
99	Q	83.9	Confident	84	Confident	87 Å²	87	51.6 Å²	51.6	41%	0.407	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-71	152.5	177.2	-172.2	175.9	-14.2	0	0	112.2	R41 L42 Q96	R41-Q99 WeakPolarHBondContact CA-O 3.4Å; L42-Q99 PolarHBondContact N-O 3.16Å; Q96-Q99 WeakPolarHBondContact O-CB 3.14Å; Q96-Q99 PolarHBondContact O-N 2.85Å
100	I	83.6	Confident	84	Confident	99 Å²	99	49.4 Å²	49.4	51%	0.508	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122	173.1	-54.9	178.3	0	0	0	109.2	P39 L40 I65	P39-I100 HydrophobicContact CB-CG2 4.02Å; L40-I100 CarbonylContact O-C 3.58Å; L40-I100 WeakPolarHBondContact O-CA 3.46Å; I65-I100 HydrophobicContact CD1-CB 4.26Å; I65-I100 HydrophobicContact CD1-CD1 3.68Å; I65-I100 HydrophobicContact CD1-CG1 3.72Å; I65-I100 HydrophobicContact CD1-CG2 3.63Å
101	I	83.8	Confident	83.9	Confident	2 Å²	2	51 Å²	51	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.1	175.7	-47.6	-173.4	0	0	0	108.4	W33 L40 L42 C95 I107	W33-I101 HydrophobicContact CB-CG2 4Å; W33-I101 HydrophobicContact CG-CG2 4.47Å; L40-I101 PolarHBondContact N-O 2.79Å; L40-I101 PolarHBondContact O-N 2.96Å; L42-I101 HydrophobicContact CB-CD1 4.39Å; C95-I101 HydrophobicContact CB-CD1 4.25Å; C95-I101 HydrophobicContact CB-CG1 4.4Å; I101-I107 HydrophobicContact CD1-CG1 4.35Å; I101-I107 HydrophobicContact CG2-CG1 4.27Å
102	P	81.8	Confident	83.6	Confident	73 Å²	73	49.2 Å²	49.2	47%	0.474	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-75.5	160.4	176.7	32.3	-35.2	0	0	0	111.6	G104 G105	P102-G104 PolarHBondContact O-N 2.89Å; P102-G105 PolarHBondContact O-N 3.18Å
103	P	82.1	Confident	83.2	Confident	56 Å²	56	45.9 Å²	45.9	36%	0.364	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131	170.3	-17.4	31.6	0	0	0	110	S35 A37 G105	S35-P103 WeakPolarHBondContact O-CB 3.35Å; A37-P103 VanDerWaalsContact O-CG 3.27Å; A37-P103 WeakPolarHBondContact O-CG 3.25Å; P103-G105 VanDerWaalsContact C-N 3.31Å
104	G	79.3	Confident	82.6	Confident	26 Å²	26	45.7 Å²	45.7	27%	0.268	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-5.2	-173.1	0	0	0	0	0	115.6	W33 P102	W33-G104 WeakPolarHBondContact O-CA 3.28Å; W33-G104 PolarHBondContact O-N 3.11Å; P102-G104 PolarHBondContact O-N 2.89Å
105	G	82.1	Confident	82.4	Confident	16 Å²	16	44.4 Å²	44.4	17%	0.165	25%	0.253	C	S	.	.			trans	-69.4	142.3	179.2	0	0	0	0	0	113.1	R32 W33 P102 P103 I107	R32-G105 CarbonylContact C-O 3.56Å; R32-G105 VanDerWaalsContact CA-O 3.31Å; R32-G105 WeakPolarHBondContact CA-O 3.35Å; W33-G105 PolarHBondContact N-O 2.94Å; P102-G105 PolarHBondContact O-N 3.18Å; P103-G105 VanDerWaalsContact C-N 3.31Å; G105-I107 PolarHBondContact O-N 2.91Å
106	V	84.9	Confident	82.2	Confident	38 Å²	38	44.7 Å²	44.7	23%	0.23	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.5	174.2	-170.3	0	0	0	0	109.5	D30 M31 R32 C94 R109	D30-V106 HydrophobicContact CB-CG1 3.99Å; D30-V106 HydrophobicContact CB-CG2 4.11Å; M31-V106 WeakPolarHBondContact O-CA 3.37Å; R32-V106 HydrophobicContact CG-CB 4.45Å; R32-V106 HydrophobicContact CG-CG2 3.96Å; C94-V106 HydrophobicContact CB-CB 4.29Å; C94-V106 HydrophobicContact CB-CG1 4.1Å; V106-R109 HydrophobicContact CG1-CG 4.48Å
107	I	85.6	Confident	82.4	Confident	1 Å²	1	40 Å²	40	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-54.2	178.8	-60.4	176.3	0	0	0	109	M31 W33 W45 V82 C94 I101 G105	M31-I107 HydrophobicContact CE-CD1 4.43Å; M31-I107 PolarHBondContact O-N 3.37Å; M31-I107 HydrophobicContact SD-CB 4.37Å; M31-I107 HydrophobicContact SD-CD1 4.31Å; W33-I107 HydrophobicContact CB-CD1 3.91Å; W33-I107 HydrophobicContact CB-CG1 4.16Å; W33-I107 HydrophobicContact CE3-CD1 3.98Å; W45-I107 HydrophobicContact CH2-CG2 3.69Å; W45-I107 WeakPolarHBondContact CH2-O 3.35Å; W45-I107 HydrophobicContact CZ3-CG2 4.05Å; V82-I107 HydrophobicContact CG1-CD1 4.07Å; C94-I107 WeakPolarHBondContact CB-O 3.23Å; C94-I107 PolarHBondContact N-O 3.36Å; I101-I107 HydrophobicContact CD1-CG1 4.35Å; I101-I107 HydrophobicContact CG2-CG1 4.27Å; G105-I107 PolarHBondContact O-N 2.91Å
108	V	85.9	Confident	82.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	151	-173.7	62.7	0	0	0	0	109.3	M31 L59 V90 E92 L93 I110	M31-V108 HydrophobicContact CB-CG1 3.71Å; M31-V108 WeakPolarHBondContact CB-O 3.44Å; M31-V108 HydrophobicContact CG-CG1 4.33Å; M31-V108 PolarHBondContact N-O 3.47Å; M31-V108 HydrophobicContact SD-CG1 3.75Å; L59-V108 HydrophobicContact CD1-CG1 3.85Å; V90-V108 HydrophobicContact CB-CG2 4.33Å; V90-V108 HydrophobicContact CG1-CG2 3.53Å; V90-V108 HydrophobicContact CG2-CG2 4.09Å; E92-V108 WeakPolarHBondContact O-CA 3.49Å; E92-V108 WeakPolarHBondContact O-CG2 3.33Å; L93-V108 HydrophobicContact CD2-CG2 4.02Å; V108-I110 HydrophobicContact CG1-CD1 4.02Å; V108-I110 HydrophobicContact CG1-CG1 4.07Å; V108-I110 HydrophobicContact CG2-CG1 4.28Å
109	R	87	Confident	82.8	Confident	90 Å²	90	40 Å²	40	34%	0.34	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.3	166.8	-77.9	163.9	168.1	172.2	-6.2	110.1	V28 A29 D30 K91 E92 V106	V28-R109 HydrophobicContact CG1-CB 3.85Å; V28-R109 HydrophobicContact CG1-CG 4.28Å; A29-R109 WeakPolarHBondContact O-CA 3.22Å; D30-R109 WeakPolarHBondContact OD1-CG 3.42Å; D30-R109 IonicContact OD1-CZ 3.81Å; D30-R109 IonicContact OD1-NE 2.7Å; D30-R109 PolarHBondContact OD1-NE 2.86Å; D30-R109 IonicContact OD1-NH2 3.65Å; D30-R109 PolarHBondContact OD1-NH2 3.35Å; K91-R109 PolarHBondContact N-O 2.85Å; E92-R109 HydrophobicContact CB-CB 4.16Å; E92-R109 PolarHBondContact N-O 2.92Å; E92-R109 PolarHBondContact O-N 2.87Å; E92-R109 WeakPolarHBondContact OE2-CD 3.49Å; E92-R109 IonicContact OE2-CZ 2.69Å; E92-R109 IonicContact OE2-NE 3.72Å; E92-R109 IonicContact OE2-NH1 2.73Å; E92-R109 PolarHBondContact OE2-NH1 3.44Å; V106-R109 HydrophobicContact CG1-CG 4.48Å
110	I	84	Confident	82.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.9	-179.4	-61.8	170.2	0	0	0	107.3	V28 A29 V53 S84 R86 V89 V90 V108	V28-I110 CarbonylContact C-O 3.58Å; V28-I110 WeakPolarHBondContact CA-O 3.47Å; A29-I110 PolarHBondContact N-O 2.96Å; A29-I110 PolarHBondContact O-N 3.48Å; V53-I110 HydrophobicContact CG2-CD1 4.02Å; V53-I110 HydrophobicContact CG2-CG1 4.41Å; V53-I110 HydrophobicContact CG2-CG2 4.46Å; S84-I110 WeakPolarHBondContact OG-CD1 3.27Å; R86-I110 HydrophobicContact CG-CB 4.34Å; R86-I110 HydrophobicContact CG-CD1 3.83Å; R86-I110 HydrophobicContact CG-CG2 4.23Å; V89-I110 CarbonylContact O-C 3.57Å; V89-I110 WeakPolarHBondContact O-CA 3.18Å; V90-I110 HydrophobicContact CG2-CG1 4.47Å; V108-I110 HydrophobicContact CG1-CD1 4.02Å; V108-I110 HydrophobicContact CG1-CG1 4.07Å; V108-I110 HydrophobicContact CG2-CG1 4.28Å
111	E	84.8	Confident	82.5	Confident	34 Å²	34	38.7 Å²	38.7	16%	0.159	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.2	165.3	177.5	176.7	-100.7	0	0	108.2	M26 V28 G88 V89 K91	M26-E111 HydrophobicContact CB-CG 3.6Å; M26-E111 HydrophobicContact CG-CG 4.39Å; M26-E111 HydrophobicContact SD-CG 3.95Å; V28-E111 HydrophobicContact CG2-CB 4.34Å; G88-E111 CarbonylContact C-O 3.59Å; G88-E111 WeakPolarHBondContact CA-O 3.45Å; V89-E111 PolarHBondContact N-O 3.48Å; V89-E111 PolarHBondContact O-N 2.9Å; K91-E111 HydrophobicContact CD-CB 4.37Å; K91-E111 WeakPolarHBondContact CE-OE1 3.34Å; K91-E111 WeakPolarHBondContact CE-OE2 3.43Å; K91-E111 HydrophobicContact CG-CB 3.92Å; K91-E111 IonicContact NZ-OE1 2.67Å; K91-E111 PolarHBondContact NZ-OE1 2.94Å; K91-E111 IonicContact NZ-OE2 3.52Å; K91-E111 PolarHBondContact NZ-OE2 2.71Å
112	E	80.9	Confident	82.5	Confident	63 Å²	63	42.8 Å²	42.8	29%	0.294	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-77.9	137.6	-179.6	-66.4	-179.9	-170.6	0	0	110.5	Q27 A29 R86	Q27-E112 PolarHBondContact O-N 3.19Å; A29-E112 HydrophobicContact CB-CG 4.42Å; A29-E112 WeakPolarHBondContact CB-OE1 3.23Å; R86-E112 WeakPolarHBondContact CD-OE1 3.49Å; R86-E112 IonicContact CZ-OE1 2.61Å; R86-E112 IonicContact NE-OE1 2.72Å; R86-E112 IonicContact NH1-OE1 2.65Å; R86-E112 PolarHBondContact NH1-OE1 2.76Å
113	C	77.8	Confident	82.6	Confident	22 Å²	22	39.4 Å²	39.4	15%	0.149	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-68.3	133.8	174.4	-173.9	0	0	0	0	110.1	H115 C126	C113-H115 PolarHBondContact O-CE1 2.8Å; C113-H115 PolarHBondContact O-N 3.49Å; C113-H115 PolarHBondContact O-ND1 3Å; C113-H115 VanDerWaalsContact SG-CD2 3.58Å; C113-H115 PolarHBondContact SG-N 3.37Å; C113-C126 HydrophobicContact CB-CB 4.1Å; C113-C126 VanDerWaalsContact SG-SG 3.68Å
114	S	76.5	Confident	82.7	Confident	38 Å²	38	40.3 Å²	40.3	27%	0.266	23%	0.228	S	C	.	.			trans	-81.8	-0.5	173.7	55.9	0	0	0	0	113.2	T146	S114-T146 WeakPolarHBondContact O-CB 3.42Å; S114-T146 WeakPolarHBondContact O-CG2 3.07Å; S114-T146 PolarHBondContact O-N 3.3Å; S114-T146 VanDerWaalsContact O-N 3.11Å; S114-T146 PolarHBondContact O-OG1 3.31Å
115	H	80.4	Confident	82.6	Confident	13 Å²	13	43.9 Å²	43.9	6%	0.06	24%	0.237	C	C	.	.			trans	44	58.5	-175.9	-42.3	102.2	0	0	0	113.1	C113 I117 V118 C123 L130 I144 S145 A147	C113-H115 PolarHBondContact O-CE1 2.8Å; C113-H115 PolarHBondContact O-N 3.49Å; C113-H115 PolarHBondContact O-ND1 3Å; C113-H115 VanDerWaalsContact SG-CD2 3.58Å; C113-H115 PolarHBondContact SG-N 3.37Å; H115-I117 VanDerWaalsContact C-N 3.3Å; H115-I117 PolarHBondContact O-N 2.7Å; H115-V118 HydrophobicContact CB-CG2 4.15Å; H115-C123 HydrophobicContact CB-CB 4.18Å; H115-L130 HydrophobicContact CB-CD1 3.9Å; H115-I144 PolarHBondContact ND1-O 2.89Å; H115-S145 PolarHBondContact O-OG 2.61Å; H115-S145 VanDerWaalsContact O-OG 3.12Å; H115-A147 PolarHBondContact O-N 3.22Å
116	P	80.6	Confident	82.4	Confident	16 Å²	16	43.7 Å²	43.7	10%	0.104	23%	0.233	C	C	.	.			trans	-78.8	-12.5	-172.8	35.4	-37.4	0	0	0	113.4	E125 T146 V160 S161	P116-E125 WeakPolarHBondContact CD-OE2 3.39Å; P116-E125 HydrophobicContact CG-CG 4.34Å; P116-E125 WeakPolarHBondContact CG-OE1 3.15Å; P116-E125 VanDerWaalsContact CG-OE2 3.25Å; P116-E125 WeakPolarHBondContact CG-OE2 3.33Å; P116-T146 WeakPolarHBondContact CA-OG1 3.25Å; P116-V160 CarbonylContact O-C 3.52Å; P116-V160 WeakPolarHBondContact O-CA 3.11Å; P116-S161 PolarHBondContact O-N 2.99Å
117	I	85.1	Confident	82	Confident	50 Å²	50	44.3 Å²	44.3	26%	0.256	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.5	170.7	-57.3	177.8	0	0	0	108.1	H115 C123 A124 L158 V160	H115-I117 VanDerWaalsContact C-N 3.3Å; H115-I117 PolarHBondContact O-N 2.7Å; I117-C123 WeakPolarHBondContact O-CA 3.39Å; I117-C123 PolarHBondContact O-SG 3Å; I117-A124 HydrophobicContact CB-CB 4.11Å; I117-A124 HydrophobicContact CG2-CB 3.76Å; I117-A124 PolarHBondContact O-N 3.05Å; I117-L158 HydrophobicContact CG2-CD1 4.11Å; I117-V160 HydrophobicContact CG1-CB 4.49Å; I117-V160 HydrophobicContact CG1-CG1 4.24Å; I117-V160 HydrophobicContact CG2-CG1 4.44Å
118	V	83.9	Confident	81.6	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.085	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.1	-177.8	177.1	0	0	0	0	109.3	H115 L122 L130 S145 A147 M159	H115-V118 HydrophobicContact CB-CG2 4.15Å; V118-L122 CarbonylContact C-O 3.43Å; V118-L122 VanDerWaalsContact CA-O 3.3Å; V118-L122 WeakPolarHBondContact CA-O 3.32Å; V118-L130 HydrophobicContact CG1-CD1 4.12Å; V118-L130 HydrophobicContact CG2-CD1 3.54Å; V118-S145 WeakPolarHBondContact CG2-OG 3.33Å; V118-A147 HydrophobicContact CB-CB 4.1Å; V118-A147 HydrophobicContact CG2-CB 3.82Å; V118-M159 PolarHBondContact N-O 3.33Å; V118-M159 PolarHBondContact O-N 3.16Å
119	M	85.3	Confident	81.3	Confident	101 Å²	101	46.8 Å²	46.8	50%	0.498	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.7	174.5	-174.6	170.7	62.7	0	0	109.4	G121 L122 E157 L158	M119-G121 PolarHBondContact O-N 3.32Å; M119-G121 VanDerWaalsContact O-N 3.07Å; M119-L122 PolarHBondContact N-O 3.27Å; M119-L122 WeakPolarHBondContact O-CB 3.45Å; M119-L122 PolarHBondContact O-N 3.39Å; M119-E157 WeakPolarHBondContact CA-O 3.31Å; M119-L158 HydrophobicContact CB-CD1 4.12Å
120	K	82.3	Confident	80.8	Confident	140 Å²	140	43.1 Å²	43.1	61%	0.609	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	27.8	-178.4	-67.2	-179.4	170.6	175.1	0	114.3	L122 E157	K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 2.84Å; K120-E157 VanDerWaalsContact CE-CD 3.47Å; K120-E157 WeakPolarHBondContact CE-OE2 3.35Å; K120-E157 HydrophobicContact CG-CB 3.96Å; K120-E157 HydrophobicContact CG-CG 4.35Å; K120-E157 PolarHBondContact N-O 3.33Å; K120-E157 VanDerWaalsContact N-O 3.1Å; K120-E157 IonicContact NZ-OE2 3.14Å
121	G	78.9	Confident	80.3	Confident	19 Å²	19	46.8 Å²	46.8	20%	0.196	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-5.3	-176.2	0	0	0	0	0	115.5	M119 L130	M119-G121 PolarHBondContact O-N 3.32Å; M119-G121 VanDerWaalsContact O-N 3.07Å; G121-L130 WeakPolarHBondContact O-CB 3.07Å; G121-L130 PolarHBondContact O-N 3.03Å
122	L	83.4	Confident	79.2	Confident	88 Å²	88	51.3 Å²	51.3	46%	0.461	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.3	170.1	-61.6	168.9	0	0	0	109.7	V118 M119 K120 D129	V118-L122 CarbonylContact C-O 3.43Å; V118-L122 VanDerWaalsContact CA-O 3.3Å; V118-L122 WeakPolarHBondContact CA-O 3.32Å; M119-L122 PolarHBondContact N-O 3.27Å; M119-L122 WeakPolarHBondContact O-CB 3.45Å; M119-L122 PolarHBondContact O-N 3.39Å; K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 2.84Å; L122-D129 HydrophobicContact CD2-CB 3.82Å
123	C	83.9	Confident	78	Confident	3 Å²	3	51 Å²	51	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.9	170.6	-179.3	0	0	0	0	111.4	H115 I117 E125 G127 Q128	H115-C123 HydrophobicContact CB-CB 4.18Å; I117-C123 WeakPolarHBondContact O-CA 3.39Å; I117-C123 PolarHBondContact O-SG 3Å; C123-E125 PolarHBondContact O-N 3.32Å; C123-G127 VanDerWaalsContact O-CA 3.28Å; C123-G127 WeakPolarHBondContact O-CA 3.42Å; C123-G127 PolarHBondContact O-N 3.47Å; C123-Q128 PolarHBondContact N-O 2.81Å
124	A	83.6	Confident	76.9	Confident	75 Å²	75	57.6 Å²	57.6	62%	0.62	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.5	-179.5	0	0	0	0	0	113.7	I117	I117-A124 HydrophobicContact CB-CB 4.11Å; I117-A124 HydrophobicContact CG2-CB 3.76Å; I117-A124 PolarHBondContact O-N 3.05Å
125	E	78.3	Confident	75.6	Confident	100 Å²	100	59.1 Å²	59.1	47%	0.467	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-33.7	-177.3	-62.2	-173	158.9	0	0	113.6	P116 C123	P116-E125 WeakPolarHBondContact CD-OE2 3.39Å; P116-E125 HydrophobicContact CG-CG 4.34Å; P116-E125 WeakPolarHBondContact CG-OE1 3.15Å; P116-E125 VanDerWaalsContact CG-OE2 3.25Å; P116-E125 WeakPolarHBondContact CG-OE2 3.33Å; C123-E125 PolarHBondContact O-N 3.32Å
126	C	77.4	Confident	74	Confident	12 Å²	12	63.7 Å²	63.7	8%	0.081	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	2.1	-171.8	74.1	0	0	0	0	114.8	L52 C113 Q128	L52-C126 HydrophobicContact CD2-CB 4.23Å; C113-C126 HydrophobicContact CB-CB 4.1Å; C113-C126 VanDerWaalsContact SG-SG 3.68Å; C126-Q128 PolarHBondContact O-N 2.9Å; C126-Q128 VanDerWaalsContact SG-CB 3.55Å
127	G	76.1	Confident	72.2	Confident	51 Å²	51	69 Å²	69	53%	0.526	40%	0.397	S	S	.	.			trans	64.8	5.1	179.4	0	0	0	0	0	115.4	C123 D129	C123-G127 VanDerWaalsContact O-CA 3.28Å; C123-G127 WeakPolarHBondContact O-CA 3.42Å; C123-G127 PolarHBondContact O-N 3.47Å; G127-D129 PolarHBondContact O-N 3.32Å
128	Q	77.6	Confident	70.4	Confident	20 Å²	20	71 Å²	71	9%	0.093	43%	0.431	C	S	.	.			trans	-73.3	128.7	-176.7	179.9	59.1	62.5	0	0	110.6	A87 C123 C126 L130 L133	A87-Q128 HydrophobicContact CB-CG 4.28Å; C123-Q128 PolarHBondContact N-O 2.81Å; C126-Q128 PolarHBondContact O-N 2.9Å; C126-Q128 VanDerWaalsContact SG-CB 3.55Å; Q128-L130 HydrophobicContact CG-CD2 4.16Å; Q128-L130 PolarHBondContact O-N 2.86Å; Q128-L133 HydrophobicContact CG-CD1 4.28Å
129	D	79.8	Confident	68.5	Low	33 Å²	33	77 Å²	77	18%	0.176	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-75	119.6	168.4	-174.2	-20.2	0	0	0	110	L122 G127 T131 Q132	L122-D129 HydrophobicContact CD2-CB 3.82Å; G127-D129 PolarHBondContact O-N 3.32Å; D129-T131 WeakPolarHBondContact OD1-CA 3.43Å; D129-T131 VanDerWaalsContact OD1-CB 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.48Å; D129-T131 PolarHBondContact OD1-N 2.92Å; D129-T131 PolarHBondContact OD1-OG1 3.26Å; D129-T131 PolarHBondContact OD2-OG1 2.73Å; D129-Q132 HydrophobicContact CB-CG 4.36Å; D129-Q132 PolarHBondContact OD1-N 3.23Å; D129-Q132 WeakPolarHBondContact OD2-CG 3.39Å; D129-Q132 PolarHBondContact OD2-NE2 2.84Å
130	L	76.8	Confident	66.4	Low	14 Å²	14	82 Å²	82	7%	0.073	48%	0.484	C	S	.	.	S	Bend	trans	-93.1	-12.1	-178.8	-54.4	177.1	0	0	0	112.7	H115 V118 G121 Q128 L133 I144	H115-L130 HydrophobicContact CB-CD1 3.9Å; V118-L130 HydrophobicContact CG1-CD1 4.12Å; V118-L130 HydrophobicContact CG2-CD1 3.54Å; G121-L130 WeakPolarHBondContact O-CB 3.07Å; G121-L130 PolarHBondContact O-N 3.03Å; Q128-L130 HydrophobicContact CG-CD2 4.16Å; Q128-L130 PolarHBondContact O-N 2.86Å; L130-L133 HydrophobicContact CD2-CD1 3.91Å; L130-I144 HydrophobicContact CD2-CG2 4.33Å
131	T	73	Confident	64.6	Low	77 Å²	77	83.4 Å²	83.4	47%	0.472	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-43.7	174.2	74.8	0	0	0	0	110.1	D129 L133 Q134	D129-T131 WeakPolarHBondContact OD1-CA 3.43Å; D129-T131 VanDerWaalsContact OD1-CB 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.48Å; D129-T131 PolarHBondContact OD1-N 2.92Å; D129-T131 PolarHBondContact OD1-OG1 3.26Å; D129-T131 PolarHBondContact OD2-OG1 2.73Å; T131-L133 VanDerWaalsContact C-N 3.27Å; T131-L133 PolarHBondContact O-N 2.89Å; T131-Q134 PolarHBondContact O-N 3.21Å
132	Q	61	Low	63	Low	129 Å²	129	87.1 Å²	87.1	60%	0.603	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-62.5	-32.9	179.7	-67.4	179.7	46.1	0	0	112.7	D129 Q134 G135	D129-Q132 HydrophobicContact CB-CG 4.36Å; D129-Q132 PolarHBondContact OD1-N 3.23Å; D129-Q132 WeakPolarHBondContact OD2-CG 3.39Å; D129-Q132 PolarHBondContact OD2-NE2 2.84Å; Q132-Q134 PolarHBondContact O-N 3.42Å; Q132-G135 PolarHBondContact O-N 3.18Å; Q132-G135 VanDerWaalsContact O-N 3.17Å
133	L	57.3	Low	61.5	Low	56 Å²	56	88.5 Å²	88.5	29%	0.293	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-66.6	-24.2	179.6	-62.2	178.5	0	0	0	113	Q128 L130 T131 G135 I144	Q128-L133 HydrophobicContact CG-CD1 4.28Å; L130-L133 HydrophobicContact CD2-CD1 3.91Å; T131-L133 VanDerWaalsContact C-N 3.27Å; T131-L133 PolarHBondContact O-N 2.89Å; L133-G135 VanDerWaalsContact C-N 3.3Å; L133-G135 PolarHBondContact O-N 3.33Å; L133-I144 HydrophobicContact CB-CD1 3.68Å; L133-I144 HydrophobicContact CD1-CD1 4.04Å; L133-I144 HydrophobicContact CD1-CG2 4.01Å; L133-I144 HydrophobicContact CG-CD1 4.48Å
134	Q	54.2	Low	60.6	Low	161 Å²	161	92.1 Å²	92.1	75%	0.752	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-74.8	-18.4	176.4	-57.3	-177.9	19.3	0	0	113	T131 Q132	T131-Q134 PolarHBondContact O-N 3.21Å; Q132-Q134 PolarHBondContact O-N 3.42Å
135	G	48.1	Very low	59.8	Low	69 Å²	69	89.8 Å²	89.8	71%	0.711	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-89.1	-9.5	-165.7	0	0	0	0	0	117.2	Q132 L133	Q132-G135 PolarHBondContact O-N 3.18Å; Q132-G135 VanDerWaalsContact O-N 3.17Å; L133-G135 VanDerWaalsContact C-N 3.3Å; L133-G135 PolarHBondContact O-N 3.33Å
136	T	46.6	Very low	59.6	Low	109 Å²	109	88.1 Å²	88.1	67%	0.669	52%	0.524	S	S	*	.	S	Bend	trans	-96.4	-25.1	-163	60.9	0	0	0	0	116
137	N	44.1	Very low	59.4	Low	128 Å²	128	88.1 Å²	88.1	68%	0.684	53%	0.525	S	S	*	.			trans	-146	128.1	177.3	-72.3	-86	0	0	0	110.4	N139	N137-N139 PolarHBondContact O-N 2.87Å
138	G	47	Very low	59.3	Low	93 Å²	93	89.8 Å²	89.8	96%	0.959	53%	0.525	S	S	*	.	S	Bend	trans	-70.1	20.3	-174.9	0	0	0	0	0	117
139	N	43	Very low	59	Low	140 Å²	140	89.5 Å²	89.5	75%	0.749	53%	0.525	S	S	*	.	S	Bend	trans	-97	123.9	167.8	-90.3	-20.9	0	0	0	108.6	N137 Q141	N137-N139 PolarHBondContact O-N 2.87Å; N139-Q141 PolarHBondContact O-N 2.85Å
140	Q	42.7	Very low	58.7	Low	204 Å²	204	88.9 Å²	88.9	95%	0.953	52%	0.523	S	S	*	.			trans	-66.1	95.3	168.7	-66.1	177.5	9.2	0	0	109.3
141	Q	44.5	Very low	58.3	Low	170 Å²	170	90.8 Å²	90.8	79%	0.794	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-75.4	155.6	161.3	-69.9	-174.2	-25.8	0	0	109.2	N139	N139-Q141 PolarHBondContact O-N 2.85Å
142	S	45	Very low	58	Low	98 Å²	98	89.6 Å²	89.6	69%	0.685	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-52.4	149.4	-179.4	45.3	0	0	0	0	112.2	I144	S142-I144 PolarHBondContact O-N 3.26Å; S142-I144 VanDerWaalsContact O-N 3.1Å
143	P	52.2	Low	58.2	Low	116 Å²	116	85 Å²	85	75%	0.753	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-53.5	120.5	-177.3	22	-33.8	0	0	0	111.1	S145	P143-S145 PolarHBondContact O-N 2.86Å
144	I	63.7	Low	58.4	Low	80 Å²	80	84.4 Å²	84.4	41%	0.41	50%	0.504	S	S	.	.	S	Bend	trans	-69.7	-15.8	-178.5	-59.1	169.4	0	0	0	111.1	H115 L130 L133 S142	H115-I144 PolarHBondContact ND1-O 2.89Å; L130-I144 HydrophobicContact CD2-CG2 4.33Å; L133-I144 HydrophobicContact CB-CD1 3.68Å; L133-I144 HydrophobicContact CD1-CD1 4.04Å; L133-I144 HydrophobicContact CD1-CG2 4.01Å; L133-I144 HydrophobicContact CG-CD1 4.48Å; S142-I144 PolarHBondContact O-N 3.26Å; S142-I144 VanDerWaalsContact O-N 3.1Å
145	S	67	Low	59.3	Low	25 Å²	25	79 Å²	79	18%	0.175	48%	0.482	C	S	.	.			trans	-104.3	136.1	176.5	-170.3	0	0	0	0	111.7	H115 V118 P143 A147	H115-S145 PolarHBondContact O-OG 2.61Å; H115-S145 VanDerWaalsContact O-OG 3.12Å; V118-S145 WeakPolarHBondContact CG2-OG 3.33Å; P143-S145 PolarHBondContact O-N 2.86Å; S145-A147 VanDerWaalsContact C-N 3.3Å; S145-A147 VanDerWaalsContact OG-CB 3.29Å; S145-A147 WeakPolarHBondContact OG-CB 3.1Å; S145-A147 PolarHBondContact OG-N 3.26Å
146	T	73.8	Confident	60.3	Low	65 Å²	65	79.3 Å²	79.3	40%	0.399	47%	0.471	S	S	.	.			trans	-80.9	-12.4	163.3	58.7	0	0	0	0	112.5	S114 P116 T148 S161	S114-T146 WeakPolarHBondContact O-CB 3.42Å; S114-T146 WeakPolarHBondContact O-CG2 3.07Å; S114-T146 PolarHBondContact O-N 3.3Å; S114-T146 VanDerWaalsContact O-N 3.11Å; S114-T146 PolarHBondContact O-OG1 3.31Å; P116-T146 WeakPolarHBondContact CA-OG1 3.25Å; T146-T148 PolarHBondContact O-N 3.45Å; T146-S161 WeakPolarHBondContact O-CA 3.47Å
147	A	74.8	Confident	61.7	Low	12 Å²	12	79.1 Å²	79.1	10%	0.099	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	115.5	178.7	0	0	0	0	0	112.3	H115 V118 S145 M159 V160	H115-A147 PolarHBondContact O-N 3.22Å; V118-A147 HydrophobicContact CB-CB 4.1Å; V118-A147 HydrophobicContact CG2-CB 3.82Å; S145-A147 VanDerWaalsContact C-N 3.3Å; S145-A147 VanDerWaalsContact OG-CB 3.29Å; S145-A147 WeakPolarHBondContact OG-CB 3.1Å; S145-A147 PolarHBondContact OG-N 3.26Å; A147-M159 HydrophobicContact CB-CB 4.01Å; A147-V160 WeakPolarHBondContact CA-O 3.42Å
148	T	72.6	Confident	63.5	Low	86 Å²	86	75.1 Å²	75.1	53%	0.528	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	-5.9	-171.3	55.4	0	0	0	0	114	T146 M159 V160	T146-T148 PolarHBondContact O-N 3.45Å; T148-M159 VanDerWaalsContact C-CE 3.48Å; T148-V160 PolarHBondContact N-O 3.21Å
149	V	71.9	Confident	65.2	Low	15 Å²	15	73.5 Å²	73.5	9%	0.091	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.9	-177.9	-174.6	0	0	0	0	108.9	M151 M159 V160 A165	V149-M151 HydrophobicContact CG1-SD 4.27Å; V149-M159 CarbonylContact O-C 3.59Å; V149-M159 WeakPolarHBondContact O-CA 3.42Å; V149-V160 PolarHBondContact N-O 3.06Å; V149-V160 PolarHBondContact O-N 3.17Å; V149-A165 HydrophobicContact CB-CB 4.05Å; V149-A165 HydrophobicContact CG1-CB 4.08Å; V149-A165 HydrophobicContact CG2-CB 4.2Å
150	S	73	Confident	67.1	Low	19 Å²	19	67.2 Å²	67.2	13%	0.133	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.1	168.3	-176.8	0	0	0	0	109.4	P156 L158 M159	S150-P156 WeakPolarHBondContact OG-CA 3.43Å; S150-L158 WeakPolarHBondContact CA-O 3.19Å; S150-L158 PolarHBondContact OG-O 3.19Å; S150-M159 PolarHBondContact N-SD 2.71Å
151	M	67.9	Low	69.2	Low	55 Å²	55	58 Å²	58	27%	0.271	33%	0.334	S	S	.	.			trans	-90.5	-19.5	-177.8	-66	-62.2	-62.5	0	0	113.3	V149 V160 A165 L168	V149-M151 HydrophobicContact CG1-SD 4.27Å; M151-V160 HydrophobicContact CG-CB 4.21Å; M151-V160 HydrophobicContact CG-CG1 3.8Å; M151-V160 HydrophobicContact CG-CG2 3.35Å; M151-V160 HydrophobicContact SD-CG2 3.68Å; M151-A165 HydrophobicContact SD-CB 3.6Å; M151-A165 VanDerWaalsContact SD-CB 3.6Å; M151-L168 HydrophobicContact CE-CB 4Å; M151-L168 HydrophobicContact CE-CD1 4.03Å
152	V	68.1	Low	71	Confident	52 Å²	52	52.4 Å²	52.4	32%	0.315	31%	0.314	S	S	.	.			trans	-134.4	107.2	-165.9	178.8	0	0	0	0	109.1	S154 V155 L158	V152-S154 WeakPolarHBondContact CG1-OG 3.39Å; V152-S154 PolarHBondContact O-N 2.85Å; V152-V155 HydrophobicContact CB-CB 4.5Å; V152-V155 HydrophobicContact CG1-CB 4.23Å; V152-V155 HydrophobicContact CG1-CG2 4.14Å; V152-V155 CarbonylContact O-C 3.55Å; V152-V155 WeakPolarHBondContact O-CA 3.2Å; V152-V155 PolarHBondContact O-N 2.87Å; V152-L158 HydrophobicContact CG2-CD2 4.17Å
153	H	65.3	Low	72.9	Confident	33 Å²	33	53 Å²	53	15%	0.153	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.3	-175.7	-57.5	-68.7	0	0	0	114.2	V155 R249 L271 E275 L289	H153-V155 VanDerWaalsContact C-N 3.34Å; H153-R249 PolarHBondContact O-NH1 3.01Å; H153-L271 HydrophobicContact CB-CG 4.09Å; H153-E275 HydrophobicContact CB-CG 4.48Å; H153-L289 WeakPolarHBondContact NE2-CD2 3.47Å; H153-L289 WeakPolarHBondContact NE2-CG 2.8Å
154	S	61.6	Low	74.4	Confident	43 Å²	43	50.9 Å²	50.9	30%	0.301	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.6	166.5	46.4	0	0	0	0	114.1	V152	V152-S154 WeakPolarHBondContact CG1-OG 3.39Å; V152-S154 PolarHBondContact O-N 2.85Å
155	V	72.9	Confident	75.4	Confident	48 Å²	48	47.1 Å²	47.1	29%	0.291	27%	0.266	S	S	.	.			trans	-137.8	72	178.4	-166.9	0	0	0	0	109.8	V152 H153 E157 L158	V152-V155 HydrophobicContact CB-CB 4.5Å; V152-V155 HydrophobicContact CG1-CB 4.23Å; V152-V155 HydrophobicContact CG1-CG2 4.14Å; V152-V155 CarbonylContact O-C 3.55Å; V152-V155 WeakPolarHBondContact O-CA 3.2Å; V152-V155 PolarHBondContact O-N 2.87Å; H153-V155 VanDerWaalsContact C-N 3.34Å; V155-E157 PolarHBondContact O-N 2.86Å; V155-L158 HydrophobicContact CB-CB 4.22Å; V155-L158 HydrophobicContact CG1-CB 3.84Å; V155-L158 WeakPolarHBondContact O-CB 3.35Å; V155-L158 PolarHBondContact O-N 3.27Å
156	P	67.8	Low	76.3	Confident	75 Å²	75	49.9 Å²	49.9	49%	0.487	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.1	178.9	-25.4	35.7	0	0	0	113.8	S150 L158	S150-P156 WeakPolarHBondContact OG-CA 3.43Å; P156-L158 PolarHBondContact O-N 2.66Å
157	E	77	Confident	77	Confident	105 Å²	105	50 Å²	50	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.7	176.1	-56.4	174.7	121.2	0	0	113.9	M119 K120 V155	M119-E157 WeakPolarHBondContact CA-O 3.31Å; K120-E157 VanDerWaalsContact CE-CD 3.47Å; K120-E157 WeakPolarHBondContact CE-OE2 3.35Å; K120-E157 HydrophobicContact CG-CB 3.96Å; K120-E157 HydrophobicContact CG-CG 4.35Å; K120-E157 PolarHBondContact N-O 3.33Å; K120-E157 VanDerWaalsContact N-O 3.1Å; K120-E157 IonicContact NZ-OE2 3.14Å; V155-E157 PolarHBondContact O-N 2.86Å
158	L	81.7	Confident	77.5	Confident	43 Å²	43	52.6 Å²	52.6	23%	0.225	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.1	172.2	178.6	64	0	0	0	109.3	I117 M119 S150 V152 V155 P156	I117-L158 HydrophobicContact CG2-CD1 4.11Å; M119-L158 HydrophobicContact CB-CD1 4.12Å; S150-L158 WeakPolarHBondContact CA-O 3.19Å; S150-L158 PolarHBondContact OG-O 3.19Å; V152-L158 HydrophobicContact CG2-CD2 4.17Å; V155-L158 HydrophobicContact CB-CB 4.22Å; V155-L158 HydrophobicContact CG1-CB 3.84Å; V155-L158 WeakPolarHBondContact O-CB 3.35Å; V155-L158 PolarHBondContact O-N 3.27Å; P156-L158 PolarHBondContact O-N 2.66Å
159	M	81.9	Confident	78.2	Confident	59 Å²	59	49.3 Å²	49.3	29%	0.291	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.2	-177.7	-66.3	-77.4	-85.2	0	0	109.4	V118 A147 T148 V149 S150	V118-M159 PolarHBondContact N-O 3.33Å; V118-M159 PolarHBondContact O-N 3.16Å; A147-M159 HydrophobicContact CB-CB 4.01Å; T148-M159 VanDerWaalsContact C-CE 3.48Å; V149-M159 CarbonylContact O-C 3.59Å; V149-M159 WeakPolarHBondContact O-CA 3.42Å; S150-M159 PolarHBondContact N-SD 2.71Å
160	V	84.4	Confident	79.1	Confident	8 Å²	8	53.4 Å²	53.4	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	164	173.6	-43.5	0	0	0	0	111.8	P116 I117 A147 T148 V149 M151 Q164 A165	P116-V160 CarbonylContact O-C 3.52Å; P116-V160 WeakPolarHBondContact O-CA 3.11Å; I117-V160 HydrophobicContact CG1-CB 4.49Å; I117-V160 HydrophobicContact CG1-CG1 4.24Å; I117-V160 HydrophobicContact CG2-CG1 4.44Å; A147-V160 WeakPolarHBondContact CA-O 3.42Å; T148-V160 PolarHBondContact N-O 3.21Å; V149-V160 PolarHBondContact N-O 3.06Å; V149-V160 PolarHBondContact O-N 3.17Å; M151-V160 HydrophobicContact CG-CB 4.21Å; M151-V160 HydrophobicContact CG-CG1 3.8Å; M151-V160 HydrophobicContact CG-CG2 3.35Å; M151-V160 HydrophobicContact SD-CG2 3.68Å; V160-Q164 HydrophobicContact CB-CB 4.43Å; V160-Q164 HydrophobicContact CG2-CB 4.36Å; V160-A165 HydrophobicContact CG2-CB 3.76Å
161	S	85.3	Confident	79.9	Confident	11 Å²	11	56.4 Å²	56.4	8%	0.077	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	151.5	179.8	81.2	0	0	0	0	112	P116 T146 E163 Q164 A165	P116-S161 PolarHBondContact O-N 2.99Å; T146-S161 WeakPolarHBondContact O-CA 3.47Å; S161-E163 PolarHBondContact O-N 3.35Å; S161-E163 PolarHBondContact OG-N 3.39Å; S161-Q164 PolarHBondContact O-N 3.28Å; S161-Q164 WeakPolarHBondContact OG-CB 3.44Å; S161-Q164 PolarHBondContact OG-N 3.49Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 2.85Å
162	S	82.8	Confident	81	Confident	52 Å²	52	56.4 Å²	56.4	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-16.3	177.1	-163.6	0	0	0	0	113.3	K166	S162-K166 VanDerWaalsContact O-CG 3.24Å; S162-K166 WeakPolarHBondContact O-CG 3.39Å; S162-K166 PolarHBondContact O-NZ 3.43Å; S162-K166 PolarHBondContact OG-NZ 3.09Å
163	E	85.1	Confident	82.1	Confident	112 Å²	112	55.7 Å²	55.7	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-82.9	-49.9	173	-173.2	169.9	-172.2	0	0	111.1	S161 A165 K166 Q167	S161-E163 PolarHBondContact O-N 3.35Å; S161-E163 PolarHBondContact OG-N 3.39Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 2.82Å; E163-K166 CarbonylContact O-C 3.56Å; E163-K166 WeakPolarHBondContact O-CA 3.4Å; E163-K166 WeakPolarHBondContact O-CB 3.37Å; E163-K166 PolarHBondContact O-N 3.49Å; E163-Q167 PolarHBondContact O-N 3.44Å
164	Q	83.5	Confident	83.3	Confident	71 Å²	71	58.4 Å²	58.4	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-41.2	177.7	-170.2	62.3	13.5	0	0	111.7	V160 S161 K166 Q167 L168	V160-Q164 HydrophobicContact CB-CB 4.43Å; V160-Q164 HydrophobicContact CG2-CB 4.36Å; S161-Q164 PolarHBondContact O-N 3.28Å; S161-Q164 WeakPolarHBondContact OG-CB 3.44Å; S161-Q164 PolarHBondContact OG-N 3.49Å; Q164-K166 PolarHBondContact O-N 3.06Å; Q164-Q167 WeakPolarHBondContact O-CB 3.49Å; Q164-Q167 PolarHBondContact O-N 3.02Å; Q164-L168 HydrophobicContact CG-CD1 4.21Å; Q164-L168 WeakPolarHBondContact O-CG 3.21Å; Q164-L168 PolarHBondContact O-N 3.25Å
165	A	84.5	Confident	84.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-39	173.1	0	0	0	0	0	112.1	V149 M151 V160 S161 E163 A169 P291	V149-A165 HydrophobicContact CB-CB 4.05Å; V149-A165 HydrophobicContact CG1-CB 4.08Å; V149-A165 HydrophobicContact CG2-CB 4.2Å; M151-A165 HydrophobicContact SD-CB 3.6Å; M151-A165 VanDerWaalsContact SD-CB 3.6Å; V160-A165 HydrophobicContact CG2-CB 3.76Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 2.85Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 2.82Å; A165-A169 WeakPolarHBondContact O-CB 3.48Å; A165-A169 PolarHBondContact O-N 3.22Å; A165-P291 HydrophobicContact CB-CB 4.13Å; A165-P291 HydrophobicContact CB-CG 3.82Å
166	K	87.3	Confident	86	Confident	84 Å²	84	57.5 Å²	57.5	37%	0.365	28%	0.282	S	S	.	.	H	α-helix	trans	-77.8	-21.8	175.8	-71.4	-177.7	-162	90.4	0	113.3	S162 E163 Q164 R170 P291 C292	S162-K166 VanDerWaalsContact O-CG 3.24Å; S162-K166 WeakPolarHBondContact O-CG 3.39Å; S162-K166 PolarHBondContact O-NZ 3.43Å; S162-K166 PolarHBondContact OG-NZ 3.09Å; E163-K166 CarbonylContact O-C 3.56Å; E163-K166 WeakPolarHBondContact O-CA 3.4Å; E163-K166 WeakPolarHBondContact O-CB 3.37Å; E163-K166 PolarHBondContact O-N 3.49Å; Q164-K166 PolarHBondContact O-N 3.06Å; K166-R170 WeakPolarHBondContact O-CB 3.34Å; K166-R170 WeakPolarHBondContact O-CG 3.46Å; K166-R170 VanDerWaalsContact O-CZ 3.28Å; K166-R170 PolarHBondContact O-N 3.17Å; K166-R170 PolarHBondContact O-NE 3.26Å; K166-R170 PolarHBondContact O-NH2 2.93Å; K166-P291 HydrophobicContact CG-CB 3.93Å; K166-C292 PolarHBondContact O-SG 2.64Å
167	Q	88.3	Confident	87.2	Confident	67 Å²	67	54.8 Å²	54.8	31%	0.313	26%	0.263	S	S	.	.	H	α-helix	trans	-73	-55.9	173.2	-175.3	64	27.6	0	0	109.6	E163 Q164 A169 R170 E171	E163-Q167 PolarHBondContact O-N 3.44Å; Q164-Q167 WeakPolarHBondContact O-CB 3.49Å; Q164-Q167 PolarHBondContact O-N 3.02Å; Q167-A169 VanDerWaalsContact C-N 3.32Å; Q167-A169 PolarHBondContact O-N 3.45Å; Q167-R170 VanDerWaalsContact CA-NH2 3.29Å; Q167-R170 WeakPolarHBondContact O-CA 3.39Å; Q167-R170 WeakPolarHBondContact O-CB 3.25Å; Q167-R170 PolarHBondContact O-N 2.9Å; Q167-E171 PolarHBondContact NE2-OE1 3.33Å; Q167-E171 PolarHBondContact O-N 3.5Å
168	L	85.4	Confident	88.1	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-55.3	-45.4	176.4	-64.6	170.7	0	0	0	111.5	M151 Q164 R170 E171 D172	M151-L168 HydrophobicContact CE-CB 4Å; M151-L168 HydrophobicContact CE-CD1 4.03Å; Q164-L168 HydrophobicContact CG-CD1 4.21Å; Q164-L168 WeakPolarHBondContact O-CG 3.21Å; Q164-L168 PolarHBondContact O-N 3.25Å; L168-R170 VanDerWaalsContact C-N 3.29Å; L168-R170 PolarHBondContact O-N 3.32Å; L168-E171 PolarHBondContact O-N 3Å; L168-D172 WeakPolarHBondContact O-CB 3.49Å; L168-D172 PolarHBondContact O-N 3.43Å
169	A	86.9	Confident	88.8	Confident	17 Å²	17	60.8 Å²	60.8	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-66.5	-23.6	177.3	0	0	0	0	0	114.4	A165 Q167 Q173 P291 C292	A165-A169 WeakPolarHBondContact O-CB 3.48Å; A165-A169 PolarHBondContact O-N 3.22Å; Q167-A169 VanDerWaalsContact C-N 3.32Å; Q167-A169 PolarHBondContact O-N 3.45Å; A169-Q173 VanDerWaalsContact O-CB 3.31Å; A169-Q173 WeakPolarHBondContact O-CB 3.48Å; A169-Q173 PolarHBondContact O-N 2.94Å; A169-Q173 VanDerWaalsContact O-N 3.09Å; A169-P291 HydrophobicContact CB-CB 4.24Å; A169-P291 HydrophobicContact CB-CG 4.23Å; A169-C292 HydrophobicContact CB-CB 4.25Å
170	R	90.1	Very high	89.5	Confident	101 Å²	101	62.9 Å²	62.9	38%	0.381	29%	0.294	S	S	.	.	H	α-helix	trans	-80.8	-32	172.3	-84.9	176.3	-72	119.9	-1.8	112.5	K166 Q167 L168 Q174	K166-R170 WeakPolarHBondContact O-CB 3.34Å; K166-R170 WeakPolarHBondContact O-CG 3.46Å; K166-R170 VanDerWaalsContact O-CZ 3.28Å; K166-R170 PolarHBondContact O-N 3.17Å; K166-R170 PolarHBondContact O-NE 3.26Å; K166-R170 PolarHBondContact O-NH2 2.93Å; Q167-R170 VanDerWaalsContact CA-NH2 3.29Å; Q167-R170 WeakPolarHBondContact O-CA 3.39Å; Q167-R170 WeakPolarHBondContact O-CB 3.25Å; Q167-R170 PolarHBondContact O-N 2.9Å; L168-R170 VanDerWaalsContact C-N 3.29Å; L168-R170 PolarHBondContact O-N 3.32Å; R170-Q174 WeakPolarHBondContact O-CG 3.49Å; R170-Q174 PolarHBondContact O-N 3.11Å; R170-Q174 PolarHBondContact O-NE2 3.36Å
171	E	90.9	Very high	90.1	Very high	82 Å²	82	65 Å²	65	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-71.5	-43.1	174	-73.9	155.3	174.8	0	0	110.4	Q167 L168 Q174 R175	Q167-E171 PolarHBondContact NE2-OE1 3.33Å; Q167-E171 PolarHBondContact O-N 3.5Å; L168-E171 PolarHBondContact O-N 3Å; E171-Q174 CarbonylContact O-C 3.58Å; E171-Q174 WeakPolarHBondContact O-CB 3.21Å; E171-Q174 PolarHBondContact O-N 3.26Å; E171-Q174 VanDerWaalsContact O-N 3.17Å; E171-R175 PolarHBondContact O-N 2.96Å
172	D	89.9	Confident	90.6	Very high	55 Å²	55	64.5 Å²	64.5	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-45.4	172.9	-173.6	59.1	0	0	0	112.6	L168 Q174 R175 L176	L168-D172 WeakPolarHBondContact O-CB 3.49Å; L168-D172 PolarHBondContact O-N 3.43Å; D172-Q174 PolarHBondContact O-N 3.48Å; D172-R175 WeakPolarHBondContact O-CB 3.43Å; D172-R175 PolarHBondContact O-N 3.05Å; D172-R175 IonicContact OD1-CZ 2.68Å; D172-R175 IonicContact OD1-NE 2.72Å; D172-R175 PolarHBondContact OD1-NE 3.01Å; D172-R175 IonicContact OD1-NH2 2.81Å; D172-R175 PolarHBondContact OD1-NH2 2.65Å; D172-R175 IonicContact OD2-NH2 3.17Å; D172-L176 WeakPolarHBondContact O-CG 3.31Å; D172-L176 PolarHBondContact O-N 3.26Å
173	Q	90.9	Very high	91.3	Very high	38 Å²	38	62.2 Å²	62.2	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-56.5	-40.7	174	-165.2	177.8	21	0	0	111.8	A169 H177 M296	A169-Q173 VanDerWaalsContact O-CB 3.31Å; A169-Q173 WeakPolarHBondContact O-CB 3.48Å; A169-Q173 PolarHBondContact O-N 2.94Å; A169-Q173 VanDerWaalsContact O-N 3.09Å; Q173-H177 PolarHBondContact O-N 2.84Å; Q173-H177 PolarHBondContact O-ND1 3.45Å; Q173-M296 HydrophobicContact CG-SD 3.41Å; Q173-M296 WeakPolarHBondContact CG-SD 3.45Å; Q173-M296 PolarHBondContact NE2-SD 3.23Å
174	Q	92.1	Very high	91.9	Very high	90 Å²	90	56.9 Å²	56.9	42%	0.421	26%	0.257	S	S	.	.	H	α-helix	trans	-69.1	-39.8	174.6	-71.6	173.5	52.6	0	0	112.8	R170 E171 D172 L176 H177 R178	R170-Q174 WeakPolarHBondContact O-CG 3.49Å; R170-Q174 PolarHBondContact O-N 3.11Å; R170-Q174 PolarHBondContact O-NE2 3.36Å; E171-Q174 CarbonylContact O-C 3.58Å; E171-Q174 WeakPolarHBondContact O-CB 3.21Å; E171-Q174 PolarHBondContact O-N 3.26Å; E171-Q174 VanDerWaalsContact O-N 3.17Å; D172-Q174 PolarHBondContact O-N 3.48Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.43Å; Q174-H177 PolarHBondContact O-N 2.77Å; Q174-R178 WeakPolarHBondContact O-CB 3.46Å; Q174-R178 WeakPolarHBondContact O-CD 3.46Å; Q174-R178 WeakPolarHBondContact O-CG 3.34Å; Q174-R178 PolarHBondContact O-N 2.92Å
175	R	94.7	Very high	92.5	Very high	67 Å²	67	53.6 Å²	53.6	25%	0.253	24%	0.242	S	C	.	.	H	α-helix	trans	-56.3	-48.1	174.2	-177.8	-169.5	66	89.8	9.3	110.2	E171 D172 R178 N179 E240	E171-R175 PolarHBondContact O-N 2.96Å; D172-R175 WeakPolarHBondContact O-CB 3.43Å; D172-R175 PolarHBondContact O-N 3.05Å; D172-R175 IonicContact OD1-CZ 2.68Å; D172-R175 IonicContact OD1-NE 2.72Å; D172-R175 PolarHBondContact OD1-NE 3.01Å; D172-R175 IonicContact OD1-NH2 2.81Å; D172-R175 PolarHBondContact OD1-NH2 2.65Å; D172-R175 IonicContact OD2-NH2 3.17Å; R175-R178 PolarHBondContact O-N 3.47Å; R175-N179 WeakPolarHBondContact O-CB 3.41Å; R175-N179 VanDerWaalsContact O-CG 3.28Å; R175-N179 PolarHBondContact O-N 2.98Å; R175-N179 PolarHBondContact O-ND2 3.43Å; R175-E240 IonicContact CZ-OE1 2.66Å; R175-E240 IonicContact CZ-OE2 3.82Å; R175-E240 IonicContact NH1-OE1 3.63Å; R175-E240 PolarHBondContact NH1-OE1 3.1Å; R175-E240 IonicContact NH1-OE2 2.77Å; R175-E240 VanDerWaalsContact NH2-CD 3.31Å; R175-E240 IonicContact NH2-OE1 3.97Å; R175-E240 PolarHBondContact NH2-OE1 2.94Å; R175-E240 IonicContact NH2-OE2 3.74Å; R175-E240 PolarHBondContact NH2-OE2 3.15Å
176	L	94.5	Very high	93	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-47.6	174.7	-69.1	168.7	0	0	0	112	D172 Q174 R178 N179 K180 K181 V183 E240 M296	D172-L176 WeakPolarHBondContact O-CG 3.31Å; D172-L176 PolarHBondContact O-N 3.26Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.43Å; L176-R178 PolarHBondContact O-N 3.5Å; L176-N179 CarbonylContact O-C 3.49Å; L176-N179 PolarHBondContact O-N 3.26Å; L176-K180 PolarHBondContact O-N 3.46Å; L176-K181 HydrophobicContact CD2-CB 3.91Å; L176-K181 PolarHBondContact O-N 2.97Å; L176-V183 HydrophobicContact CD1-CG2 3.59Å; L176-E240 HydrophobicContact CD2-CB 4.12Å; L176-M296 HydrophobicContact CB-CE 3.64Å; L176-M296 HydrophobicContact CD1-CE 4.35Å
177	H	94.4	Very high	93.5	Very high	19 Å²	19	50 Å²	50	9%	0.088	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-42.2	175.9	-75.8	150.3	0	0	0	113.5	Q173 Q174 N179 K180 M296 Y610 Y614	Q173-H177 PolarHBondContact O-N 2.84Å; Q173-H177 PolarHBondContact O-ND1 3.45Å; Q174-H177 PolarHBondContact O-N 2.77Å; H177-N179 VanDerWaalsContact C-N 3.35Å; H177-K180 PolarHBondContact O-N 3.05Å; H177-M296 VanDerWaalsContact CD2-CE 3.49Å; H177-M296 WeakPolarHBondContact CD2-CE 3.49Å; H177-M296 PolarHBondContact NE2-SD 3.13Å; H177-Y610 AromaticContact NE2-CE1 3.86Å; H177-Y610 AromaticContact NE2-CZ 3.89Å; H177-Y610 PolarHBondContact NE2-OH 3.46Å; H177-Y614 HydrophobicContact CB-CE1 4.04Å; H177-Y614 AromaticContact CD2-CE1 3.92Å; H177-Y614 AromaticContact CD2-CE2 3.96Å; H177-Y614 AromaticContact CD2-CZ 3.78Å; H177-Y614 AromaticContact CE1-CE2 3.56Å; H177-Y614 AromaticContact CE1-CZ 3.8Å; H177-Y614 AromaticContact CG-CE1 3.89Å; H177-Y614 AromaticContact CG-CZ 3.58Å; H177-Y614 AromaticContact ND1-CE2 3.84Å; H177-Y614 AromaticContact ND1-CZ 3.59Å; H177-Y614 PolarHBondContact ND1-OH 3.49Å; H177-Y614 AromaticContact NE2-CD2 3.91Å; H177-Y614 AromaticContact NE2-CE2 3.63Å; H177-Y614 AromaticContact NE2-CZ 3.91Å
178	R	95.2	Very high	93.9	Very high	175 Å²	175	46.9 Å²	46.9	66%	0.66	21%	0.212	S	C	*	.	H	α-helix	trans	-60.9	-44.4	176.8	-70.3	164.8	-158.3	174.4	8.2	110.9	Q174 R175 L176 K180	Q174-R178 WeakPolarHBondContact O-CB 3.46Å; Q174-R178 WeakPolarHBondContact O-CD 3.46Å; Q174-R178 WeakPolarHBondContact O-CG 3.34Å; Q174-R178 PolarHBondContact O-N 2.92Å; R175-R178 PolarHBondContact O-N 3.47Å; L176-R178 PolarHBondContact O-N 3.5Å; R178-K180 PolarHBondContact O-N 3.19Å
179	N	95.9	Very high	94.3	Very high	99 Å²	99	44 Å²	44	53%	0.529	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.7	179.7	-65.9	-14.4	0	0	0	113.5	R175 L176 H177 K181	R175-N179 WeakPolarHBondContact O-CB 3.41Å; R175-N179 VanDerWaalsContact O-CG 3.28Å; R175-N179 PolarHBondContact O-N 2.98Å; R175-N179 PolarHBondContact O-ND2 3.43Å; L176-N179 CarbonylContact O-C 3.49Å; L176-N179 PolarHBondContact O-N 3.26Å; H177-N179 VanDerWaalsContact C-N 3.35Å; N179-K181 VanDerWaalsContact C-N 3.26Å; N179-K181 HydrophobicContact CB-CG 4.37Å; N179-K181 PolarHBondContact O-N 3.09Å
180	K	96.7	Very high	94.6	Very high	103 Å²	103	43.2 Å²	43.2	45%	0.448	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	45.6	-169.8	-67.9	-165.7	170.5	-167.5	0	113.5	L176 H177 R178 H607 F611 E615	L176-K180 PolarHBondContact O-N 3.46Å; H177-K180 PolarHBondContact O-N 3.05Å; R178-K180 PolarHBondContact O-N 3.19Å; K180-H607 PolarHBondContact O-CE1 2.7Å; K180-H607 PolarHBondContact O-NE2 3.2Å; K180-F611 VanDerWaalsContact C-CZ 3.43Å; K180-F611 VanDerWaalsContact CA-CZ 3.49Å; K180-F611 HydrophobicContact CB-CD1 4.46Å; K180-F611 HydrophobicContact CB-CE1 4.17Å; K180-F611 HydrophobicContact CB-CE2 4.44Å; K180-F611 HydrophobicContact CB-CZ 4.17Å; K180-F611 HydrophobicContact CG-CD1 4.21Å; K180-F611 HydrophobicContact CG-CE1 4.13Å; K180-E615 IonicContact NZ-OE1 3.98Å; K180-E615 PolarHBondContact NZ-OE1 3.13Å
181	K	97.1	Very high	94.9	Very high	53 Å²	53	38.4 Å²	38.4	23%	0.23	17%	0.173	C	C	.	.			trans	-109.4	155.1	173	-67.1	-161.3	-177.5	-168.1	0	113.1	L176 N179 A236 L238 M296	L176-K181 HydrophobicContact CD2-CB 3.91Å; L176-K181 PolarHBondContact O-N 2.97Å; N179-K181 VanDerWaalsContact C-N 3.26Å; N179-K181 HydrophobicContact CB-CG 4.37Å; N179-K181 PolarHBondContact O-N 3.09Å; K181-A236 WeakPolarHBondContact CE-O 3.48Å; K181-A236 PolarHBondContact NZ-O 3.3Å; K181-L238 VanDerWaalsContact CA-O 3.27Å; K181-L238 WeakPolarHBondContact CA-O 3.44Å; K181-M296 WeakPolarHBondContact O-CE 3.43Å
182	L	97.1	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	178	164.3	-73	170.8	0	0	0	109.7	L238 Y239 E240 M296 H607 Y610 F611 I628	L182-L238 PolarHBondContact N-O 2.95Å; L182-L238 VanDerWaalsContact N-O 3.07Å; L182-Y239 HydrophobicContact CB-CD1 3.46Å; L182-Y239 VanDerWaalsContact CB-CD1 3.46Å; L182-Y239 HydrophobicContact CB-CE1 3.46Å; L182-Y239 VanDerWaalsContact CB-CE1 3.46Å; L182-Y239 HydrophobicContact CB-CG 4.32Å; L182-Y239 HydrophobicContact CD1-CE1 3.75Å; L182-Y239 HydrophobicContact CG-CE1 4.27Å; L182-Y239 CarbonylContact O-C 3.59Å; L182-Y239 VanDerWaalsContact O-CA 3.24Å; L182-Y239 WeakPolarHBondContact O-CA 3.38Å; L182-E240 PolarHBondContact O-N 3.32Å; L182-M296 HydrophobicContact CD2-CB 3.85Å; L182-M296 HydrophobicContact CD2-CE 4.2Å; L182-M296 HydrophobicContact CD2-CG 3.95Å; L182-H607 HydrophobicContact CD1-CB 4.3Å; L182-Y610 HydrophobicContact CD1-CG 4.28Å; L182-Y610 HydrophobicContact CD2-CD1 3.76Å; L182-Y610 HydrophobicContact CD2-CD2 4.01Å; L182-Y610 HydrophobicContact CD2-CE1 3.91Å; L182-Y610 HydrophobicContact CD2-CE2 4.13Å; L182-Y610 HydrophobicContact CD2-CG 3.84Å; L182-Y610 HydrophobicContact CG-CD1 4.45Å; L182-F611 HydrophobicContact CG-CE2 4.11Å; L182-I628 HydrophobicContact CD1-CD1 3.7Å; L182-I628 HydrophobicContact CD2-CD1 4.13Å; L182-I628 HydrophobicContact CD2-CG1 4.23Å
183	V	96.3	Very high	95.4	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	170.5	-177.2	0	0	0	0	109.5	L176 F290 M296 V297 C298	L176-V183 HydrophobicContact CD1-CG2 3.59Å; V183-F290 HydrophobicContact CG1-CE1 4.13Å; V183-F290 HydrophobicContact CG1-CZ 3.87Å; V183-F290 HydrophobicContact CG2-CE1 4.33Å; V183-M296 PolarHBondContact N-O 3.2Å; V183-V297 HydrophobicContact CB-CG2 4.23Å; V183-V297 HydrophobicContact CG1-CG1 4.44Å; V183-C298 PolarHBondContact O-N 2.85Å
184	L	97.4	Very high	95.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.8	171.4	-174.3	62.7	0	0	0	110.2	V186 I235 Y239 E240 L241 H242 C298 I300 L603	L184-V186 HydrophobicContact CD2-CG2 4.06Å; L184-V186 HydrophobicContact CG-CG2 3.85Å; L184-I235 HydrophobicContact CD2-CG2 3.53Å; L184-Y239 HydrophobicContact CB-CD1 3.68Å; L184-Y239 HydrophobicContact CB-CG 3.92Å; L184-E240 PolarHBondContact N-O 3.04Å; L184-L241 HydrophobicContact CB-CD2 3.99Å; L184-L241 HydrophobicContact CD2-CD2 4.1Å; L184-H242 PolarHBondContact O-N 2.8Å; L184-C298 WeakPolarHBondContact CA-O 3.37Å; L184-C298 HydrophobicContact CD1-CB 3.93Å; L184-I300 HydrophobicContact CD1-CG1 4.13Å; L184-I300 HydrophobicContact CD1-CG2 4.08Å; L184-I300 HydrophobicContact CD2-CD1 4.1Å; L184-I300 HydrophobicContact CD2-CG1 4.42Å; L184-I300 HydrophobicContact CG-CG1 4.32Å; L184-L603 HydrophobicContact CD1-CD2 3.83Å; L184-L603 HydrophobicContact CD2-CD1 3.86Å; L184-L603 HydrophobicContact CD2-CD2 4.32Å
185	M	95.8	Very high	95.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129	168.6	-53.7	-160.4	81	0	0	109.5	H242 F244 L286 L289 F290 V297 C298 I299 I300 W307	M185-H242 CarbonylContact C-O 3.57Å; M185-H242 WeakPolarHBondContact CA-O 3.27Å; M185-F244 HydrophobicContact CE-CB 4.25Å; M185-F244 HydrophobicContact CE-CD1 3.6Å; M185-F244 HydrophobicContact CE-CE1 4.42Å; M185-F244 HydrophobicContact CE-CG 4.38Å; M185-L286 HydrophobicContact CE-CD2 4.47Å; M185-L286 HydrophobicContact SD-CD2 3.44Å; M185-L286 WeakPolarHBondContact SD-CD2 3.4Å; M185-L289 HydrophobicContact CE-CD1 3.4Å; M185-L289 VanDerWaalsContact CE-CD1 3.4Å; M185-L289 HydrophobicContact SD-CD1 4.38Å; M185-F290 HydrophobicContact CE-CE2 4.47Å; M185-F290 HydrophobicContact SD-CE2 3.91Å; M185-F290 HydrophobicContact SD-CZ 4.45Å; M185-V297 HydrophobicContact CG-CG1 3.65Å; M185-V297 HydrophobicContact SD-CG1 3.86Å; M185-C298 PolarHBondContact N-O 2.86Å; M185-I299 HydrophobicContact CB-CG1 4.24Å; M185-I299 HydrophobicContact CB-CG2 4.36Å; M185-I299 HydrophobicContact CG-CG1 4.44Å; M185-I300 WeakPolarHBondContact O-CG1 3.43Å; M185-I300 PolarHBondContact O-N 3.2Å; M185-W307 HydrophobicContact SD-CH2 4.17Å
186	V	96.8	Very high	95.3	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.9	-166.9	179.1	0	0	0	0	109.4	L184 L192 H242 V243 F244 I300	L184-V186 HydrophobicContact CD2-CG2 4.06Å; L184-V186 HydrophobicContact CG-CG2 3.85Å; V186-L192 HydrophobicContact CG1-CD1 3.38Å; V186-L192 HydrophobicContact CG1-CG 4.05Å; V186-H242 PolarHBondContact N-O 2.87Å; V186-V243 CarbonylContact O-C 3.39Å; V186-V243 WeakPolarHBondContact O-CA 3.28Å; V186-F244 PolarHBondContact O-N 2.84Å; V186-I300 HydrophobicContact CB-CG1 4.43Å; V186-I300 HydrophobicContact CG1-CD1 4.26Å; V186-I300 HydrophobicContact CG2-CD1 4.15Å; V186-I300 HydrophobicContact CG2-CG1 4.19Å
187	D	96.9	Very high	95	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.048	13%	0.126	C	C	.	.			trans	-75.6	157.9	165.2	178.6	70.2	0	0	0	111.9	D189 T191 K282 I300 D301	D187-D189 PolarHBondContact OD2-N 2.97Å; D187-T191 HydrophobicContact CB-CG2 4.15Å; D187-T191 WeakPolarHBondContact O-CB 3.31Å; D187-T191 WeakPolarHBondContact O-CG2 3.16Å; D187-T191 VanDerWaalsContact OD2-CB 3.27Å; D187-T191 WeakPolarHBondContact OD2-CB 3.42Å; D187-T191 PolarHBondContact OD2-OG1 2.98Å; D187-K282 VanDerWaalsContact CG-NZ 3.32Å; D187-K282 IonicContact OD1-NZ 3.63Å; D187-K282 PolarHBondContact OD1-NZ 3.06Å; D187-I300 PolarHBondContact N-O 2.93Å; D187-I300 VanDerWaalsContact N-O 3.1Å; D187-D301 HydrophobicContact CB-CB 4.16Å
188	L	96.1	Very high	94.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	15%	0.149	C	C	.	.			trans	-101.4	-61.2	179.9	-59.6	179.5	0	0	0	112	Q190 T191 L192 I193 V243 T245 I255 L259	L188-Q190 PolarHBondContact O-N 3.01Å; L188-T191 PolarHBondContact O-N 3.43Å; L188-L192 PolarHBondContact O-N 2.84Å; L188-I193 HydrophobicContact CB-CD1 4.21Å; L188-I193 HydrophobicContact CB-CG1 4.1Å; L188-I193 VanDerWaalsContact O-CG1 3.25Å; L188-I193 WeakPolarHBondContact O-CG1 3.44Å; L188-I193 PolarHBondContact O-N 2.76Å; L188-V243 HydrophobicContact CD1-CG1 3.8Å; L188-V243 HydrophobicContact CD2-CG1 3.89Å; L188-V243 HydrophobicContact CD2-CG2 4.49Å; L188-V243 HydrophobicContact CG-CG1 3.76Å; L188-T245 HydrophobicContact CD1-CG2 3.81Å; L188-T245 HydrophobicContact CG-CG2 4.43Å; L188-I255 HydrophobicContact CD1-CB 4.13Å; L188-I255 HydrophobicContact CD1-CG2 3.86Å; L188-I255 HydrophobicContact CD2-CG2 4.11Å; L188-I255 HydrophobicContact CG-CG2 4.47Å; L188-L259 HydrophobicContact CD2-CD1 3.95Å
189	D	94.7	Very high	93.1	Very high	6 Å²	6	32 Å²	32	3%	0.032	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-75	114.8	-162.1	-67.4	-68.2	0	0	0	111.8	D187 T191 T245 Y251 N329	D187-D189 PolarHBondContact OD2-N 2.97Å; D189-T191 PolarHBondContact O-N 3.3Å; D189-T191 VanDerWaalsContact O-N 3.13Å; D189-T245 PolarHBondContact OD2-OG1 3.19Å; D189-Y251 PolarHBondContact OD1-OH 3.29Å; D189-Y251 WeakPolarHBondContact OD2-CE1 3.2Å; D189-N329 PolarHBondContact OD1-ND2 2.87Å; D189-N329 PolarHBondContact OD2-ND2 3.06Å
190	Q	94.3	Very high	91.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	4.6	-172.2	-50.1	-172.7	-49.9	0	0	114.3	L188 I193 H194 K318 Y319 D327	L188-Q190 PolarHBondContact O-N 3.01Å; Q190-I193 VanDerWaalsContact CA-O 3.23Å; Q190-I193 WeakPolarHBondContact CA-O 3.46Å; Q190-I193 PolarHBondContact N-O 3.42Å; Q190-H194 PolarHBondContact NE2-CD2 2.83Å; Q190-H194 PolarHBondContact NE2-NE2 3.03Å; Q190-K318 HydrophobicContact CB-CG 4.07Å; Q190-Y319 WeakPolarHBondContact O-CB 3.32Å; Q190-Y319 PolarHBondContact O-N 2.94Å; Q190-D327 VanDerWaalsContact OE1-N 3.09Å
191	T	96.1	Very high	89.7	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-61.7	169.1	-62.4	0	0	0	0	111.3	D187 L188 D189 R225 D302 V316	D187-T191 HydrophobicContact CB-CG2 4.15Å; D187-T191 WeakPolarHBondContact O-CB 3.31Å; D187-T191 WeakPolarHBondContact O-CG2 3.16Å; D187-T191 VanDerWaalsContact OD2-CB 3.27Å; D187-T191 WeakPolarHBondContact OD2-CB 3.42Å; D187-T191 PolarHBondContact OD2-OG1 2.98Å; L188-T191 PolarHBondContact O-N 3.43Å; D189-T191 PolarHBondContact O-N 3.3Å; D189-T191 VanDerWaalsContact O-N 3.13Å; T191-R225 WeakPolarHBondContact O-CD 3.3Å; T191-R225 PolarHBondContact O-NH1 2.87Å; T191-D302 PolarHBondContact OG1-N 2.74Å; T191-V316 HydrophobicContact CG2-CB 4.42Å; T191-V316 HydrophobicContact CG2-CG1 4.22Å; T191-V316 HydrophobicContact CG2-CG2 4.21Å
192	L	96.1	Very high	88.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-20.2	178.6	-68.8	-168.6	0	0	0	114.4	V186 L188 R225 F231 L232 L596	V186-L192 HydrophobicContact CG1-CD1 3.38Å; V186-L192 HydrophobicContact CG1-CG 4.05Å; L188-L192 PolarHBondContact O-N 2.84Å; L192-R225 WeakPolarHBondContact O-CB 3.24Å; L192-R225 PolarHBondContact O-N 3.28Å; L192-F231 HydrophobicContact CD2-CD1 4.31Å; L192-F231 HydrophobicContact CD2-CE1 4.09Å; L192-L232 HydrophobicContact CD1-CD1 4.46Å; L192-L232 HydrophobicContact CD1-CD2 4.04Å; L192-L596 HydrophobicContact CD2-CD1 4.11Å; L192-L596 HydrophobicContact CD2-CD2 3.89Å
193	I	95	Very high	86.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	165.7	-178.6	62.3	159.8	0	0	0	110.5	L188 Q190 T222 R223 L224 Y251 I255	L188-I193 HydrophobicContact CB-CD1 4.21Å; L188-I193 HydrophobicContact CB-CG1 4.1Å; L188-I193 VanDerWaalsContact O-CG1 3.25Å; L188-I193 WeakPolarHBondContact O-CG1 3.44Å; L188-I193 PolarHBondContact O-N 2.76Å; Q190-I193 VanDerWaalsContact CA-O 3.23Å; Q190-I193 WeakPolarHBondContact CA-O 3.46Å; Q190-I193 PolarHBondContact N-O 3.42Å; I193-T222 HydrophobicContact CB-CG2 3.74Å; I193-T222 HydrophobicContact CD1-CG2 3.73Å; I193-T222 HydrophobicContact CG1-CG2 4.3Å; I193-T222 HydrophobicContact CG2-CG2 4.15Å; I193-R223 CarbonylContact C-O 3.57Å; I193-R223 WeakPolarHBondContact CA-O 3.45Å; I193-L224 HydrophobicContact CG2-CD2 3.5Å; I193-Y251 WeakPolarHBondContact CD1-OH 3.2Å; I193-I255 HydrophobicContact CD1-CB 4.44Å; I193-I255 HydrophobicContact CD1-CD1 3.77Å; I193-I255 HydrophobicContact CD1-CG1 3.8Å; I193-I255 HydrophobicContact CD1-CG2 3.78Å; I193-I255 HydrophobicContact CG2-CG2 4.31Å
194	H	93.8	Very high	84.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.5	164	-171.6	-159.4	0	0	0	109.6	Q190 T222 R223 Y319 Y321 F322	Q190-H194 PolarHBondContact NE2-CD2 2.83Å; Q190-H194 PolarHBondContact NE2-NE2 3.03Å; H194-T222 CarbonylContact O-C 3.58Å; H194-T222 WeakPolarHBondContact O-CA 3.25Å; H194-R223 PolarHBondContact N-O 3.47Å; H194-R223 PolarHBondContact O-N 3.32Å; H194-Y319 HydrophobicContact CB-CD1 3.66Å; H194-Y319 HydrophobicContact CB-CE1 3.83Å; H194-Y321 PolarHBondContact ND1-N 2.89Å; H194-Y321 VanDerWaalsContact ND1-N 3.18Å; H194-F322 PolarHBondContact CE1-O 2.83Å; H194-F322 VanDerWaalsContact CE1-O 3.28Å; H194-F322 AromaticContact ND1-CD2 3.95Å; H194-F322 PolarHBondContact ND1-N 2.65Å; H194-F322 WeakPolarHBondContact O-CE2 3.4Å
195	T	92.4	Very high	83.4	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.2	-170	-51	0	0	0	0	111.3	L220 H221 T222 Y251 I328	T195-L220 HydrophobicContact CG2-CB 4.18Å; T195-L220 HydrophobicContact CG2-CD2 4.11Å; T195-H221 CarbonylContact C-O 3.52Å; T195-H221 VanDerWaalsContact CA-O 3.28Å; T195-H221 WeakPolarHBondContact CA-O 3.34Å; T195-T222 WeakPolarHBondContact CG2-OG1 3.46Å; T195-T222 PolarHBondContact OG1-OG1 3.08Å; T195-Y251 WeakPolarHBondContact CB-OH 3.41Å; T195-Y251 HydrophobicContact CG2-CE2 4.18Å; T195-Y251 PolarHBondContact OG1-OH 2.95Å; T195-I328 HydrophobicContact CG2-CD1 3.6Å
196	T	89.8	Confident	82.1	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.2	174.4	-174.1	0	0	0	0	111.7	Q198 M203 H221 F322	T196-Q198 WeakPolarHBondContact CG2-O 3.18Å; T196-Q198 PolarHBondContact OG1-N 3.48Å; T196-M203 HydrophobicContact CG2-CE 3.59Å; T196-H221 HydrophobicContact CG2-CB 3.98Å; T196-H221 PolarHBondContact N-O 2.92Å; T196-H221 PolarHBondContact O-N 2.7Å; T196-F322 HydrophobicContact CG2-CD1 3.87Å; T196-F322 HydrophobicContact CG2-CD2 3.66Å; T196-F322 HydrophobicContact CG2-CE1 3.91Å; T196-F322 HydrophobicContact CG2-CE2 3.69Å; T196-F322 HydrophobicContact CG2-CG 3.75Å; T196-F322 HydrophobicContact CG2-CZ 3.82Å
197	E	87.1	Confident	81	Confident	111 Å²	111	52.5 Å²	52.5	52%	0.519	26%	0.263	S	S	.	.	S	Bend	trans	-87.6	-15.8	165	-66	169.8	-166.6	0	0	111.9	P218 L220	E197-P218 HydrophobicContact CB-CB 4.28Å; E197-P218 HydrophobicContact CG-CB 4.12Å; E197-P218 HydrophobicContact CG-CG 3.98Å; E197-L220 HydrophobicContact CG-CD2 3.55Å
198	Q	79.3	Confident	80.5	Confident	124 Å²	124	52.9 Å²	52.9	58%	0.579	27%	0.265	S	S	*	.	S	Bend	trans	-86.4	118.5	-175.8	-62.5	-173.5	9.4	0	0	110.9	T196 C200 M203 I325	T196-Q198 WeakPolarHBondContact CG2-O 3.18Å; T196-Q198 PolarHBondContact OG1-N 3.48Å; Q198-C200 PolarHBondContact O-N 3.3Å; Q198-M203 WeakPolarHBondContact O-CE 3.28Å; Q198-I325 HydrophobicContact CB-CD1 4.32Å; Q198-I325 HydrophobicContact CG-CD1 4.19Å
199	H	69.8	Low	80.2	Confident	153 Å²	153	54.6 Å²	54.6	71%	0.708	27%	0.273	S	S	*	.			trans	-57.6	131.7	167.4	-169.8	77	0	0	0	110.4
200	C	63.6	Low	79.9	Confident	43 Å²	43	57.9 Å²	57.9	29%	0.291	29%	0.288	S	S	.	.			trans	-138.6	165.1	-175.7	81.8	0	0	0	0	111.1	Q198 R202 M203	Q198-C200 PolarHBondContact O-N 3.3Å; C200-R202 PolarHBondContact O-N 3.02Å; C200-M203 HydrophobicContact CB-CE 4.33Å; C200-M203 WeakPolarHBondContact O-CB 3.36Å; C200-M203 WeakPolarHBondContact O-CG 3.31Å; C200-M203 PolarHBondContact O-N 3.1Å
201	Q	58.5	Low	79.8	Confident	201 Å²	201	58.5 Å²	58.5	94%	0.939	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-64.4	-24.4	-177.1	-70.7	166.7	-46.7	0	0	113.3	M203	Q201-M203 VanDerWaalsContact C-N 3.26Å; Q201-M203 PolarHBondContact O-N 2.96Å
202	R	62.6	Low	79.5	Confident	88 Å²	88	63 Å²	63	33%	0.332	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-83.2	10.7	179.1	-63.4	-175.1	-178.7	152.5	5.2	114.6	C200 S204 N205 I208	C200-R202 PolarHBondContact O-N 3.02Å; R202-S204 PolarHBondContact O-N 2.75Å; R202-N205 WeakPolarHBondContact CA-OD1 3.24Å; R202-N205 VanDerWaalsContact O-CB 3.3Å; R202-N205 WeakPolarHBondContact O-CB 3.37Å; R202-N205 PolarHBondContact O-N 3.23Å; R202-N205 VanDerWaalsContact O-N 3.15Å; R202-N205 PolarHBondContact O-OD1 2.7Å; R202-I208 WeakPolarHBondContact O-CD1 3.47Å
203	M	64.1	Low	79.1	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.069	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-69.5	-15.6	-178.1	-70.7	-52.5	-175.3	0	0	114.1	T196 Q198 C200 Q201 N205 H210 H221 F322	T196-M203 HydrophobicContact CG2-CE 3.59Å; Q198-M203 WeakPolarHBondContact O-CE 3.28Å; C200-M203 HydrophobicContact CB-CE 4.33Å; C200-M203 WeakPolarHBondContact O-CB 3.36Å; C200-M203 WeakPolarHBondContact O-CG 3.31Å; C200-M203 PolarHBondContact O-N 3.1Å; Q201-M203 VanDerWaalsContact C-N 3.26Å; Q201-M203 PolarHBondContact O-N 2.96Å; M203-N205 VanDerWaalsContact C-N 3.32Å; M203-H210 PolarHBondContact O-CE1 3.05Å; M203-H210 PolarHBondContact O-NE2 3.2Å; M203-H221 HydrophobicContact CE-CB 3.46Å; M203-H221 VanDerWaalsContact CE-CB 3.46Å; M203-H221 WeakPolarHBondContact CE-CD2 3.19Å; M203-H221 HydrophobicContact SD-CB 3.59Å; M203-H221 VanDerWaalsContact SD-CB 3.59Å; M203-H221 PolarHBondContact SD-ND1 2.62Å; M203-H221 VanDerWaalsContact SD-ND1 3.39Å; M203-F322 HydrophobicContact CE-CE1 4.22Å; M203-F322 HydrophobicContact SD-CE1 4.2Å
204	S	61.4	Low	78.5	Confident	111 Å²	111	65.2 Å²	65.2	78%	0.776	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-85.3	-1.8	172.9	-51.1	0	0	0	0	113.3	R202 K206	R202-S204 PolarHBondContact O-N 2.75Å; S204-K206 PolarHBondContact O-N 3.07Å
205	N	68.4	Low	77.9	Confident	30 Å²	30	70.7 Å²	70.7	16%	0.16	35%	0.348	C	S	.	.	S	Bend	trans	-71.6	127.9	-175.9	-68.5	35.7	0	0	0	111.2	R202 M203 G207 I208 Y321 D589	R202-N205 WeakPolarHBondContact CA-OD1 3.24Å; R202-N205 VanDerWaalsContact O-CB 3.3Å; R202-N205 WeakPolarHBondContact O-CB 3.37Å; R202-N205 PolarHBondContact O-N 3.23Å; R202-N205 VanDerWaalsContact O-N 3.15Å; R202-N205 PolarHBondContact O-OD1 2.7Å; M203-N205 VanDerWaalsContact C-N 3.32Å; N205-G207 PolarHBondContact O-N 2.73Å; N205-I208 HydrophobicContact CB-CD1 4.08Å; N205-I208 PolarHBondContact O-N 2.76Å; N205-Y321 WeakPolarHBondContact CB-OH 3.49Å; N205-Y321 PolarHBondContact ND2-OH 2.77Å; N205-Y321 VanDerWaalsContact ND2-OH 3.08Å; N205-D589 PolarHBondContact ND2-OD1 3.13Å
206	K	66.5	Low	77.2	Confident	178 Å²	178	74.1 Å²	74.1	77%	0.774	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	127.1	-179.5	-67	169.3	-178.2	163.3	0	111.3	S204	S204-K206 PolarHBondContact O-N 3.07Å
207	G	74.1	Confident	76.9	Confident	24 Å²	24	78.8 Å²	78.8	25%	0.247	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	18.8	179.7	0	0	0	0	0	115.9	N205 R223	N205-G207 PolarHBondContact O-N 2.73Å; G207-R223 PolarHBondContact O-NH1 3.11Å
208	I	87.1	Confident	76.8	Confident	17 Å²	17	76.6 Å²	76.6	9%	0.087	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.5	158.3	-60.2	173.6	0	0	0	108.5	R202 N205 H221 T222 R223 Y321 F322	R202-I208 WeakPolarHBondContact O-CD1 3.47Å; N205-I208 HydrophobicContact CB-CD1 4.08Å; N205-I208 PolarHBondContact O-N 2.76Å; I208-H221 HydrophobicContact CG2-CB 4.2Å; I208-T222 CarbonylContact C-O 3.53Å; I208-T222 WeakPolarHBondContact CA-O 3.29Å; I208-R223 HydrophobicContact CG1-CB 4.4Å; I208-Y321 HydrophobicContact CD1-CE1 3.86Å; I208-Y321 HydrophobicContact CG1-CE1 4.35Å; I208-F322 HydrophobicContact CD1-CE1 4.19Å; I208-F322 HydrophobicContact CD1-CZ 4.22Å; I208-F322 HydrophobicContact CG2-CZ 4.33Å
209	F	88.9	Confident	77.3	Confident	37 Å²	37	75.6 Å²	75.6	16%	0.162	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.3	177	-66.3	-88.9	0	0	0	110.2	H221 T222 L224 F258	F209-H221 WeakPolarHBondContact O-CA 3.4Å; F209-T222 PolarHBondContact N-O 3.2Å; F209-T222 PolarHBondContact O-N 3Å; F209-L224 HydrophobicContact CD2-CD1 4.25Å; F209-L224 HydrophobicContact CD2-CD2 4.39Å; F209-L224 HydrophobicContact CD2-CG 3.91Å; F209-L224 HydrophobicContact CE2-CD1 3.57Å; F209-L224 HydrophobicContact CE2-CG 3.66Å; F209-L224 HydrophobicContact CZ-CD1 4.24Å; F209-F258 HydrophobicContact CB-CD2 4.05Å; F209-F258 HydrophobicContact CB-CE2 3.96Å; F209-F258 HydrophobicContact CB-CG 4.39Å; F209-F258 HydrophobicContact CB-CZ 4.2Å; F209-F258 HydrophobicContact CD1-CB 4.42Å; F209-F258 AromaticContact CD1-CD1 3.7Å; F209-F258 HydrophobicContact CD1-CD1 3.7Å; F209-F258 HydrophobicContact CD1-CD2 4.46Å; F209-F258 HydrophobicContact CD1-CE1 4.02Å; F209-F258 AromaticContact CD1-CG 3.95Å; F209-F258 HydrophobicContact CD1-CG 3.95Å; F209-F258 HydrophobicContact CE1-CD1 4.25Å; F209-F258 HydrophobicContact CG-CD1 4.27Å; F209-F258 HydrophobicContact CG-CD2 4.22Å; F209-F258 HydrophobicContact CG-CG 4.1Å
210	H	90.1	Very high	78.3	Confident	75 Å²	75	68.8 Å²	68.8	35%	0.347	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.6	-175.4	-66.7	-133.3	0	0	0	108.8	M203 L220 H221	M203-H210 PolarHBondContact O-CE1 3.05Å; M203-H210 PolarHBondContact O-NE2 3.2Å; H210-L220 WeakPolarHBondContact CA-O 3.4Å; H210-H221 AromaticContact CE1-CE1 3.76Å; H210-H221 AromaticContact CE1-ND1 3.29Å; H210-H221 PolarHBondContact CE1-ND1 2.69Å; H210-H221 VanDerWaalsContact CE1-ND1 3.29Å; H210-H221 AromaticContact CG-ND1 3.67Å; H210-H221 AromaticContact ND1-CE1 3.45Å; H210-H221 PolarHBondContact ND1-CE1 2.8Å; H210-H221 AromaticContact ND1-ND1 3.13Å; H210-H221 PolarHBondContact ND1-ND1 2.77Å; H210-H221 VanDerWaalsContact ND1-ND1 3.13Å; H210-H221 AromaticContact NE2-ND1 3.82Å
211	F	90.4	Very high	79.6	Confident	14 Å²	14	67 Å²	67	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	165.1	178	59.6	-86.3	0	0	0	112.4	L213 L220 T222 Y251 T254 I255 F258	F211-L213 HydrophobicContact CD2-CD2 4.04Å; F211-L213 HydrophobicContact CD2-CG 4.26Å; F211-L213 HydrophobicContact CE2-CD2 3.85Å; F211-L213 HydrophobicContact CE2-CG 4.1Å; F211-L220 HydrophobicContact CD2-CB 4.14Å; F211-L220 HydrophobicContact CD2-CD1 4.4Å; F211-L220 HydrophobicContact CE1-CB 4.3Å; F211-L220 HydrophobicContact CE2-CB 3.79Å; F211-L220 HydrophobicContact CE2-CD1 3.65Å; F211-L220 HydrophobicContact CE2-CG 4.36Å; F211-L220 HydrophobicContact CZ-CB 3.88Å; F211-L220 HydrophobicContact CZ-CD1 4.17Å; F211-L220 PolarHBondContact N-O 3.48Å; F211-L220 PolarHBondContact O-N 3.32Å; F211-T222 VanDerWaalsContact CE1-OG1 3.28Å; F211-T222 WeakPolarHBondContact CE1-OG1 3.36Å; F211-Y251 HydrophobicContact CE2-CD2 4.02Å; F211-Y251 HydrophobicContact CE2-CE2 4.27Å; F211-Y251 HydrophobicContact CZ-CD2 4.03Å; F211-Y251 AromaticContact CZ-CE2 3.84Å; F211-Y251 HydrophobicContact CZ-CE2 3.84Å; F211-T254 HydrophobicContact CB-CG2 4.29Å; F211-T254 HydrophobicContact CD1-CG2 4.21Å; F211-T254 HydrophobicContact CD2-CG2 3.64Å; F211-T254 HydrophobicContact CE1-CG2 4.43Å; F211-T254 HydrophobicContact CE2-CG2 3.9Å; F211-T254 HydrophobicContact CG-CG2 3.8Å; F211-T254 HydrophobicContact CZ-CG2 4.29Å; F211-I255 HydrophobicContact CE1-CD1 3.79Å; F211-I255 HydrophobicContact CZ-CD1 3.64Å; F211-I255 HydrophobicContact CZ-CG1 4.44Å; F211-F258 HydrophobicContact CB-CZ 4.41Å; F211-F258 AromaticContact CD1-CE2 3.51Å; F211-F258 HydrophobicContact CD1-CE2 3.51Å; F211-F258 AromaticContact CD1-CZ 3.84Å; F211-F258 HydrophobicContact CD1-CZ 3.84Å; F211-F258 AromaticContact CE1-CE2 3.65Å; F211-F258 HydrophobicContact CE1-CE2 3.65Å; F211-F258 HydrophobicContact CE1-CZ 4.42Å; F211-F258 HydrophobicContact CG-CE2 4.29Å; F211-F258 HydrophobicContact CG-CZ 4.34Å
212	Q	90.4	Very high	81.2	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	31%	0.31	S	S	.	.			trans	-126.1	137.2	171.9	-166.9	-177.3	36.6	0	0	107.2	G214 E217	Q212-G214 VanDerWaalsContact CG-O 3.29Å; Q212-G214 WeakPolarHBondContact CG-O 3.33Å; Q212-E217 PolarHBondContact NE2-O 2.92Å
213	L	87.1	Confident	82.6	Confident	28 Å²	28	55 Å²	55	15%	0.147	30%	0.3	C	S	.	.	S	Bend	trans	-86.4	-52.3	-176.4	-68.5	171.6	0	0	0	111.5	F211 E217 L220 L250 Y251	F211-L213 HydrophobicContact CD2-CD2 4.04Å; F211-L213 HydrophobicContact CD2-CG 4.26Å; F211-L213 HydrophobicContact CE2-CD2 3.85Å; F211-L213 HydrophobicContact CE2-CG 4.1Å; L213-E217 VanDerWaalsContact CB-OE2 3.25Å; L213-E217 WeakPolarHBondContact CB-OE2 3.33Å; L213-L220 HydrophobicContact CD1-CD1 3.55Å; L213-L220 HydrophobicContact CG-CD1 3.95Å; L213-L250 HydrophobicContact CB-CD2 4.23Å; L213-L250 HydrophobicContact CD2-CB 4.49Å; L213-L250 HydrophobicContact CD2-CD2 4.48Å; L213-L250 HydrophobicContact CD2-CG 4.01Å; L213-L250 WeakPolarHBondContact O-CD2 3.46Å; L213-Y251 HydrophobicContact CD1-CD2 4.16Å
214	G	83.6	Confident	84	Confident	19 Å²	19	55 Å²	55	20%	0.196	30%	0.3	C	S	.	.	S	Bend	trans	-124.3	158.8	173.6	0	0	0	0	0	112.6	Q212 G216 E217	Q212-G214 VanDerWaalsContact CG-O 3.29Å; Q212-G214 WeakPolarHBondContact CG-O 3.33Å; G214-G216 PolarHBondContact O-N 2.82Å; G214-E217 WeakPolarHBondContact CA-OE2 3.28Å; G214-E217 PolarHBondContact N-OE2 2.69Å; G214-E217 VanDerWaalsContact O-CB 3.26Å; G214-E217 WeakPolarHBondContact O-CB 3.37Å; G214-E217 WeakPolarHBondContact O-CG 3.16Å; G214-E217 PolarHBondContact O-N 3.5Å
215	R	80.8	Confident	85.6	Confident	117 Å²	117	49.9 Å²	49.9	44%	0.442	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	122.4	-176.3	-151.8	-166	-46.5	-75.3	-0.6	111.2	E217 E564 Q565	R215-E217 VanDerWaalsContact C-N 3.34Å; R215-E564 VanDerWaalsContact CD-OE2 3.25Å; R215-E564 WeakPolarHBondContact CD-OE2 3.41Å; R215-E564 VanDerWaalsContact CZ-CB 3.43Å; R215-E564 IonicContact NE-OE2 3.18Å; R215-E564 PolarHBondContact NE-OE2 2.99Å; R215-E564 PolarHBondContact NH2-O 3.35Å; R215-Q565 VanDerWaalsContact NH1-C 3.33Å; R215-Q565 PolarHBondContact NH1-O 3.37Å; R215-Q565 VanDerWaalsContact NH2-C 3.33Å
216	G	77.2	Confident	86.7	Confident	75 Å²	75	49.6 Å²	49.6	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	0	-174.2	0	0	0	0	0	114.3	G214	G214-G216 PolarHBondContact O-N 2.82Å
217	E	84.4	Confident	87.9	Confident	100 Å²	100	45.2 Å²	45.2	47%	0.467	25%	0.246	S	C	.	.	S	Bend	trans	-75.6	159.6	167.3	-62.2	-171.6	165.4	0	0	110.6	Q212 L213 G214 R215	Q212-E217 PolarHBondContact NE2-O 2.92Å; L213-E217 VanDerWaalsContact CB-OE2 3.25Å; L213-E217 WeakPolarHBondContact CB-OE2 3.33Å; G214-E217 WeakPolarHBondContact CA-OE2 3.28Å; G214-E217 PolarHBondContact N-OE2 2.69Å; G214-E217 VanDerWaalsContact O-CB 3.26Å; G214-E217 WeakPolarHBondContact O-CB 3.37Å; G214-E217 WeakPolarHBondContact O-CG 3.16Å; G214-E217 PolarHBondContact O-N 3.5Å; R215-E217 VanDerWaalsContact C-N 3.34Å
218	P	84.6	Confident	88.9	Confident	66 Å²	66	44.2 Å²	44.2	43%	0.429	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-59.3	150.6	176.9	24.3	-35.1	0	0	0	112.4	E197 L220	E197-P218 HydrophobicContact CB-CB 4.28Å; E197-P218 HydrophobicContact CG-CB 4.12Å; E197-P218 HydrophobicContact CG-CG 3.98Å; P218-L220 PolarHBondContact O-N 2.95Å
219	M	88.7	Confident	89.1	Confident	103 Å²	103	47.9 Å²	47.9	51%	0.507	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-69.5	127.5	166.8	-169.2	-176.9	-58.6	0	0	108.7	H221	M219-H221 PolarHBondContact SD-CE1 2.91Å
220	L	91.6	Very high	89.3	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.5	175	-68.1	175.9	0	0	0	109.9	T195 E197 H210 F211 L213 P218 Y251 I328	T195-L220 HydrophobicContact CG2-CB 4.18Å; T195-L220 HydrophobicContact CG2-CD2 4.11Å; E197-L220 HydrophobicContact CG-CD2 3.55Å; H210-L220 WeakPolarHBondContact CA-O 3.4Å; F211-L220 HydrophobicContact CD2-CB 4.14Å; F211-L220 HydrophobicContact CD2-CD1 4.4Å; F211-L220 HydrophobicContact CE1-CB 4.3Å; F211-L220 HydrophobicContact CE2-CB 3.79Å; F211-L220 HydrophobicContact CE2-CD1 3.65Å; F211-L220 HydrophobicContact CE2-CG 4.36Å; F211-L220 HydrophobicContact CZ-CB 3.88Å; F211-L220 HydrophobicContact CZ-CD1 4.17Å; F211-L220 PolarHBondContact N-O 3.48Å; F211-L220 PolarHBondContact O-N 3.32Å; L213-L220 HydrophobicContact CD1-CD1 3.55Å; L213-L220 HydrophobicContact CG-CD1 3.95Å; P218-L220 PolarHBondContact O-N 2.95Å; L220-Y251 HydrophobicContact CD1-CD2 4Å; L220-Y251 HydrophobicContact CD1-CE2 4.14Å; L220-I328 HydrophobicContact CD2-CD1 3.94Å
221	H	91	Very high	89.6	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.9	-177.6	-57.5	-90.8	0	0	0	109.1	T195 T196 M203 I208 F209 H210 M219 F322	T195-H221 CarbonylContact C-O 3.52Å; T195-H221 VanDerWaalsContact CA-O 3.28Å; T195-H221 WeakPolarHBondContact CA-O 3.34Å; T196-H221 HydrophobicContact CG2-CB 3.98Å; T196-H221 PolarHBondContact N-O 2.92Å; T196-H221 PolarHBondContact O-N 2.7Å; M203-H221 HydrophobicContact CE-CB 3.46Å; M203-H221 VanDerWaalsContact CE-CB 3.46Å; M203-H221 WeakPolarHBondContact CE-CD2 3.19Å; M203-H221 HydrophobicContact SD-CB 3.59Å; M203-H221 VanDerWaalsContact SD-CB 3.59Å; M203-H221 PolarHBondContact SD-ND1 2.62Å; M203-H221 VanDerWaalsContact SD-ND1 3.39Å; I208-H221 HydrophobicContact CG2-CB 4.2Å; F209-H221 WeakPolarHBondContact O-CA 3.4Å; H210-H221 AromaticContact CE1-CE1 3.76Å; H210-H221 AromaticContact CE1-ND1 3.29Å; H210-H221 PolarHBondContact CE1-ND1 2.69Å; H210-H221 VanDerWaalsContact CE1-ND1 3.29Å; H210-H221 AromaticContact CG-ND1 3.67Å; H210-H221 AromaticContact ND1-CE1 3.45Å; H210-H221 PolarHBondContact ND1-CE1 2.8Å; H210-H221 AromaticContact ND1-ND1 3.13Å; H210-H221 PolarHBondContact ND1-ND1 2.77Å; H210-H221 VanDerWaalsContact ND1-ND1 3.13Å; H210-H221 AromaticContact NE2-ND1 3.82Å; M219-H221 PolarHBondContact SD-CE1 2.91Å; H221-F322 HydrophobicContact CB-CZ 4.36Å; H221-F322 WeakPolarHBondContact O-CE2 3.39Å
222	T	92.6	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.5	-171.2	-56.6	0	0	0	0	111.8	I193 H194 T195 I208 F209 F211 I255	I193-T222 HydrophobicContact CB-CG2 3.74Å; I193-T222 HydrophobicContact CD1-CG2 3.73Å; I193-T222 HydrophobicContact CG1-CG2 4.3Å; I193-T222 HydrophobicContact CG2-CG2 4.15Å; H194-T222 CarbonylContact O-C 3.58Å; H194-T222 WeakPolarHBondContact O-CA 3.25Å; T195-T222 WeakPolarHBondContact CG2-OG1 3.46Å; T195-T222 PolarHBondContact OG1-OG1 3.08Å; I208-T222 CarbonylContact C-O 3.53Å; I208-T222 WeakPolarHBondContact CA-O 3.29Å; F209-T222 PolarHBondContact N-O 3.2Å; F209-T222 PolarHBondContact O-N 3Å; F211-T222 VanDerWaalsContact CE1-OG1 3.28Å; F211-T222 WeakPolarHBondContact CE1-OG1 3.36Å; T222-I255 HydrophobicContact CG2-CD1 3.91Å
223	R	92.1	Very high	90.2	Very high	36 Å²	36	47.1 Å²	47.1	14%	0.136	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.4	166.4	-167.9	79.8	-179.6	83.4	6.3	108.8	I193 H194 G207 I208 Y319 Y321 F322 D589	I193-R223 CarbonylContact C-O 3.57Å; I193-R223 WeakPolarHBondContact CA-O 3.45Å; H194-R223 PolarHBondContact N-O 3.47Å; H194-R223 PolarHBondContact O-N 3.32Å; G207-R223 PolarHBondContact O-NH1 3.11Å; I208-R223 HydrophobicContact CG1-CB 4.4Å; R223-Y319 VanDerWaalsContact CG-OH 3.28Å; R223-Y319 WeakPolarHBondContact CG-OH 3.33Å; R223-Y321 HydrophobicContact CB-CD1 3.72Å; R223-Y321 HydrophobicContact CB-CD2 4.43Å; R223-Y321 HydrophobicContact CB-CE1 4.24Å; R223-Y321 HydrophobicContact CB-CG 3.83Å; R223-Y321 HydrophobicContact CG-CD1 3.89Å; R223-Y321 HydrophobicContact CG-CD2 3.76Å; R223-Y321 HydrophobicContact CG-CE1 4.16Å; R223-Y321 HydrophobicContact CG-CE2 4.03Å; R223-Y321 HydrophobicContact CG-CG 3.68Å; R223-F322 HydrophobicContact CB-CE2 4.42Å; R223-D589 IonicContact CZ-OD2 2.95Å; R223-D589 IonicContact NE-OD2 2.61Å; R223-D589 PolarHBondContact NE-OD2 3.31Å; R223-D589 IonicContact NH2-OD2 3.19Å; R223-D589 PolarHBondContact NH2-OD2 3.37Å
224	L	93	Very high	90.6	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.1	166.7	-55.9	-174.8	0	0	0	109.5	I193 F209 L259	I193-L224 HydrophobicContact CG2-CD2 3.5Å; F209-L224 HydrophobicContact CD2-CD1 4.25Å; F209-L224 HydrophobicContact CD2-CD2 4.39Å; F209-L224 HydrophobicContact CD2-CG 3.91Å; F209-L224 HydrophobicContact CE2-CD1 3.57Å; F209-L224 HydrophobicContact CE2-CG 3.66Å; F209-L224 HydrophobicContact CZ-CD1 4.24Å; L224-L259 HydrophobicContact CD1-CD2 4.33Å; L224-L259 HydrophobicContact CD2-CD2 3.83Å
225	R	94.5	Very high	91.2	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.011	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-61.3	142.8	176.5	-170.2	170.6	-167.1	149.6	19.3	111.3	T191 L192 H227 C228 K317 Y319 D593 H595 L596	T191-R225 WeakPolarHBondContact O-CD 3.3Å; T191-R225 PolarHBondContact O-NH1 2.87Å; L192-R225 WeakPolarHBondContact O-CB 3.24Å; L192-R225 PolarHBondContact O-N 3.28Å; R225-H227 PolarHBondContact O-N 2.83Å; R225-C228 WeakPolarHBondContact O-CB 3.47Å; R225-C228 PolarHBondContact O-N 2.82Å; R225-C228 VanDerWaalsContact O-N 3.15Å; R225-K317 VanDerWaalsContact CZ-O 3.24Å; R225-K317 PolarHBondContact NH1-O 3.02Å; R225-K317 PolarHBondContact NH2-O 2.99Å; R225-Y319 HydrophobicContact CB-CD1 3.93Å; R225-Y319 HydrophobicContact CB-CD2 4.41Å; R225-Y319 HydrophobicContact CB-CE1 3.88Å; R225-Y319 HydrophobicContact CB-CE2 4.36Å; R225-Y319 HydrophobicContact CB-CG 4.23Å; R225-Y319 HydrophobicContact CG-CD1 4.21Å; R225-Y319 HydrophobicContact CG-CD2 3.86Å; R225-Y319 HydrophobicContact CG-CE1 4.35Å; R225-Y319 HydrophobicContact CG-CE2 4.01Å; R225-Y319 HydrophobicContact CG-CG 3.99Å; R225-D593 IonicContact CZ-OD1 3.69Å; R225-D593 VanDerWaalsContact CZ-OD1 3.24Å; R225-D593 IonicContact NE-OD1 2.84Å; R225-D593 PolarHBondContact NE-OD1 2.83Å; R225-D593 IonicContact NH2-OD1 3.25Å; R225-D593 PolarHBondContact NH2-OD1 3.47Å; R225-D593 IonicContact NH2-OD2 3.1Å; R225-D593 PolarHBondContact NH2-OD2 3.14Å; R225-H595 VanDerWaalsContact NH2-CB 3.28Å; R225-L596 HydrophobicContact CB-CD1 4.16Å; R225-L596 HydrophobicContact CG-CD1 4.02Å; R225-L596 HydrophobicContact CG-CG 4.14Å
226	P	92.8	Very high	92	Very high	24 Å²	24	44 Å²	44	16%	0.156	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	138	178	-27.4	34.8	0	0	0	112.6	C228 D591 D593	P226-C228 VanDerWaalsContact C-N 3.26Å; P226-C228 PolarHBondContact O-N 3.07Å; P226-D591 WeakPolarHBondContact CD-OD2 3.4Å; P226-D591 HydrophobicContact CG-CB 4.17Å; P226-D591 WeakPolarHBondContact CG-OD2 3.44Å; P226-D593 WeakPolarHBondContact CB-O 3.44Å
227	H	91.8	Very high	92.9	Very high	86 Å²	86	46.9 Å²	46.9	40%	0.398	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	16.9	-177	-50.2	-65.9	0	0	0	116.6	R225 K229 E230 F231 I597	R225-H227 PolarHBondContact O-N 2.83Å; H227-K229 PolarHBondContact O-N 3.49Å; H227-E230 WeakPolarHBondContact CA-OE2 3.34Å; H227-E230 IonicContact CG-OE1 3.83Å; H227-E230 IonicContact ND1-OE1 3.33Å; H227-E230 PolarHBondContact ND1-OE1 3.34Å; H227-E230 VanDerWaalsContact ND1-OE1 3.14Å; H227-F231 WeakPolarHBondContact O-CB 3.42Å; H227-F231 PolarHBondContact O-N 3.11Å; H227-I597 HydrophobicContact CB-CG1 4.5Å; H227-I597 VanDerWaalsContact CD2-CD1 3.45Å; H227-I597 WeakPolarHBondContact CD2-CD1 3.28Å
228	C	93.2	Very high	93.6	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.027	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-40.6	-177.3	-174.4	0	0	0	0	113.7	R225 P226 L232 L596	R225-C228 WeakPolarHBondContact O-CB 3.47Å; R225-C228 PolarHBondContact O-N 2.82Å; R225-C228 VanDerWaalsContact O-N 3.15Å; P226-C228 VanDerWaalsContact C-N 3.26Å; P226-C228 PolarHBondContact O-N 3.07Å; C228-L232 VanDerWaalsContact O-CG 3.26Å; C228-L232 WeakPolarHBondContact O-CG 3.47Å; C228-L232 PolarHBondContact O-N 3.03Å; C228-L596 HydrophobicContact CB-CD1 3.92Å
229	K	91.8	Very high	94.2	Very high	93 Å²	93	41.1 Å²	41.1	40%	0.404	19%	0.194	S	C	.	.	H	α-helix	trans	-67.7	-48.8	-179.8	-67.7	-172.5	175.5	-175.3	0	111.2	H227 F231 L232 E233	H227-K229 PolarHBondContact O-N 3.49Å; K229-F231 VanDerWaalsContact C-N 3.3Å; K229-F231 PolarHBondContact O-N 3.27Å; K229-L232 PolarHBondContact O-N 2.94Å; K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 2.76Å
230	E	94.4	Very high	94.5	Very high	87 Å²	87	37.4 Å²	37.4	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-65	-33.9	179.3	-49.1	96.4	109.4	0	0	112.3	H227 K234	H227-E230 WeakPolarHBondContact CA-OE2 3.34Å; H227-E230 IonicContact CG-OE1 3.83Å; H227-E230 IonicContact ND1-OE1 3.33Å; H227-E230 PolarHBondContact ND1-OE1 3.34Å; H227-E230 VanDerWaalsContact ND1-OE1 3.14Å; E230-K234 WeakPolarHBondContact O-CD 3.16Å; E230-K234 VanDerWaalsContact O-CG 3.23Å; E230-K234 WeakPolarHBondContact O-CG 3.23Å; E230-K234 PolarHBondContact O-N 3.14Å
231	F	96.5	Very high	94.7	Very high	2 Å²	2	37 Å²	37	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-53.4	171.5	168.6	-99	0	0	0	111	L192 H227 K229 E233 K234 I235 I300 L596 L599 E600 L603	L192-F231 HydrophobicContact CD2-CD1 4.31Å; L192-F231 HydrophobicContact CD2-CE1 4.09Å; H227-F231 WeakPolarHBondContact O-CB 3.42Å; H227-F231 PolarHBondContact O-N 3.11Å; K229-F231 VanDerWaalsContact C-N 3.3Å; K229-F231 PolarHBondContact O-N 3.27Å; F231-E233 PolarHBondContact O-N 2.89Å; F231-K234 PolarHBondContact O-N 2.78Å; F231-I235 HydrophobicContact CD2-CG1 4.01Å; F231-I235 HydrophobicContact CE2-CG1 3.8Å; F231-I235 HydrophobicContact CZ-CG1 4.12Å; F231-I235 WeakPolarHBondContact O-CB 3.33Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.47Å; F231-I300 HydrophobicContact CE1-CD1 4.18Å; F231-I300 HydrophobicContact CZ-CD1 4.06Å; F231-L596 HydrophobicContact CB-CB 4.27Å; F231-L596 HydrophobicContact CB-CD1 4.31Å; F231-L596 HydrophobicContact CD1-CD1 4.35Å; F231-L596 HydrophobicContact CD1-CD2 4.49Å; F231-L596 HydrophobicContact CD2-CB 4.11Å; F231-L596 HydrophobicContact CE1-CD2 4.48Å; F231-L596 HydrophobicContact CG-CB 4.17Å; F231-L596 HydrophobicContact CG-CD1 4.33Å; F231-L599 HydrophobicContact CE2-CB 4.11Å; F231-L599 HydrophobicContact CE2-CD2 4.08Å; F231-L599 HydrophobicContact CE2-CG 3.97Å; F231-L599 HydrophobicContact CZ-CD2 3.79Å; F231-L599 HydrophobicContact CZ-CG 4.07Å; F231-E600 HydrophobicContact CD2-CB 4.19Å; F231-L603 HydrophobicContact CE2-CD1 3.95Å; F231-L603 HydrophobicContact CZ-CD1 3.77Å
232	L	96.5	Very high	94.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-44.8	-179.4	-69.8	171.7	0	0	0	111.9	L192 C228 K229 K234 I235 A236 L241 L259 L265 F266	L192-L232 HydrophobicContact CD1-CD1 4.46Å; L192-L232 HydrophobicContact CD1-CD2 4.04Å; C228-L232 VanDerWaalsContact O-CG 3.26Å; C228-L232 WeakPolarHBondContact O-CG 3.47Å; C228-L232 PolarHBondContact O-N 3.03Å; K229-L232 PolarHBondContact O-N 2.94Å; L232-K234 VanDerWaalsContact C-N 3.31Å; L232-K234 PolarHBondContact O-N 2.99Å; L232-I235 PolarHBondContact O-N 3.12Å; L232-A236 WeakPolarHBondContact O-CB 3.43Å; L232-A236 PolarHBondContact O-N 3.35Å; L232-L241 HydrophobicContact CD2-CD1 3.82Å; L232-L259 HydrophobicContact CD1-CB 4.24Å; L232-L259 HydrophobicContact CD1-CD2 4.24Å; L232-L265 HydrophobicContact CB-CD1 4.07Å; L232-F266 HydrophobicContact CD1-CE2 4.22Å; L232-F266 HydrophobicContact CD1-CZ 3.91Å; L232-F266 HydrophobicContact CD2-CE1 4.32Å; L232-F266 HydrophobicContact CD2-CZ 3.78Å; L232-F266 HydrophobicContact CG-CZ 4.49Å
233	E	95.3	Very high	94.9	Very high	115 Å²	115	37.9 Å²	37.9	54%	0.537	18%	0.177	S	C	.	.	H	α-helix	trans	-60.5	-34.5	178.2	-77.6	-179.3	-157.6	0	0	114	K229 F231 K237	K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 2.76Å; F231-E233 PolarHBondContact O-N 2.89Å; E233-K237 PolarHBondContact O-NZ 3Å
234	K	96.3	Very high	95	Very high	80 Å²	80	36.2 Å²	36.2	35%	0.348	17%	0.171	S	C	.	.	H	α-helix	trans	-77	-51.2	175.9	-68.6	167.1	-167.4	171.8	0	110.7	E230 F231 L232 A236 K237 E600	E230-K234 WeakPolarHBondContact O-CD 3.16Å; E230-K234 VanDerWaalsContact O-CG 3.23Å; E230-K234 WeakPolarHBondContact O-CG 3.23Å; E230-K234 PolarHBondContact O-N 3.14Å; F231-K234 PolarHBondContact O-N 2.78Å; L232-K234 VanDerWaalsContact C-N 3.31Å; L232-K234 PolarHBondContact O-N 2.99Å; K234-A236 VanDerWaalsContact C-N 3.28Å; K234-A236 PolarHBondContact O-N 2.93Å; K234-K237 VanDerWaalsContact O-CB 3.25Å; K234-K237 WeakPolarHBondContact O-CB 3.3Å; K234-K237 PolarHBondContact O-N 2.99Å; K234-E600 HydrophobicContact CD-CG 4.27Å; K234-E600 WeakPolarHBondContact CD-OE1 3.42Å; K234-E600 WeakPolarHBondContact CD-OE2 3.48Å; K234-E600 IonicContact NZ-OE1 3.79Å; K234-E600 PolarHBondContact NZ-OE1 3.45Å; K234-E600 IonicContact NZ-OE2 3.61Å; K234-E600 PolarHBondContact NZ-OE2 3.44Å
235	I	97	Very high	95.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-32.9	-174.8	-65.3	-56.6	0	0	0	111.1	L184 F231 L232 K237 L238 Y239 L241 L603	L184-I235 HydrophobicContact CD2-CG2 3.53Å; F231-I235 HydrophobicContact CD2-CG1 4.01Å; F231-I235 HydrophobicContact CE2-CG1 3.8Å; F231-I235 HydrophobicContact CZ-CG1 4.12Å; F231-I235 WeakPolarHBondContact O-CB 3.33Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.47Å; L232-I235 PolarHBondContact O-N 3.12Å; I235-K237 PolarHBondContact O-N 3.32Å; I235-L238 CarbonylContact O-C 3.59Å; I235-L238 PolarHBondContact O-N 3.38Å; I235-Y239 HydrophobicContact CG2-CD2 3.79Å; I235-Y239 HydrophobicContact CG2-CG 4.22Å; I235-Y239 PolarHBondContact O-N 3.01Å; I235-L241 HydrophobicContact CG2-CD2 4.08Å; I235-L603 HydrophobicContact CD1-CB 3.79Å; I235-L603 HydrophobicContact CD1-CD1 3.97Å; I235-L603 HydrophobicContact CG1-CD1 4.11Å; I235-L603 HydrophobicContact CG2-CD1 4.09Å
236	A	96.4	Very high	95	Very high	18 Å²	18	35.8 Å²	35.8	15%	0.149	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-14.2	172.1	0	0	0	0	0	114.9	K181 L232 K234 Y239 L241 L265	K181-A236 WeakPolarHBondContact CE-O 3.48Å; K181-A236 PolarHBondContact NZ-O 3.3Å; L232-A236 WeakPolarHBondContact O-CB 3.43Å; L232-A236 PolarHBondContact O-N 3.35Å; K234-A236 VanDerWaalsContact C-N 3.28Å; K234-A236 PolarHBondContact O-N 2.93Å; A236-Y239 CarbonylContact C-O 3.47Å; A236-Y239 WeakPolarHBondContact CA-O 3.33Å; A236-Y239 VanDerWaalsContact O-O 3.1Å; A236-L241 HydrophobicContact CB-CD1 4.05Å; A236-L241 HydrophobicContact CB-CG 4.34Å; A236-L265 HydrophobicContact CB-CD2 3.59Å
237	K	96.9	Very high	94.9	Very high	136 Å²	136	34.7 Å²	34.7	59%	0.591	16%	0.162	S	C	*	.	H	α-helix	trans	-79.4	-30.1	172.8	-59	172.6	176	96.6	0	111.8	E233 K234 I235	E233-K237 PolarHBondContact O-NZ 3Å; K234-K237 VanDerWaalsContact O-CB 3.25Å; K234-K237 WeakPolarHBondContact O-CB 3.3Å; K234-K237 PolarHBondContact O-N 2.99Å; I235-K237 PolarHBondContact O-N 3.32Å
238	L	97.8	Very high	94.9	Very high	44 Å²	44	31.8 Å²	31.8	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-104.8	-23.7	-175.6	-58.3	-178.3	0	0	0	113	K181 L182 I235 E604 H607	K181-L238 VanDerWaalsContact CA-O 3.27Å; K181-L238 WeakPolarHBondContact CA-O 3.44Å; L182-L238 PolarHBondContact N-O 2.95Å; L182-L238 VanDerWaalsContact N-O 3.07Å; I235-L238 CarbonylContact O-C 3.59Å; I235-L238 PolarHBondContact O-N 3.38Å; L238-E604 HydrophobicContact CD1-CG 3.83Å; L238-H607 PolarHBondContact O-CD2 3.28Å; L238-H607 PolarHBondContact O-NE2 3.3Å
239	Y	97.9	Very high	94.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.5	-178.1	-67.8	-98	0	0	0	110.6	L182 L184 I235 A236 C298 L603 H607	L182-Y239 HydrophobicContact CB-CD1 3.46Å; L182-Y239 VanDerWaalsContact CB-CD1 3.46Å; L182-Y239 HydrophobicContact CB-CE1 3.46Å; L182-Y239 VanDerWaalsContact CB-CE1 3.46Å; L182-Y239 HydrophobicContact CB-CG 4.32Å; L182-Y239 HydrophobicContact CD1-CE1 3.75Å; L182-Y239 HydrophobicContact CG-CE1 4.27Å; L182-Y239 CarbonylContact O-C 3.59Å; L182-Y239 VanDerWaalsContact O-CA 3.24Å; L182-Y239 WeakPolarHBondContact O-CA 3.38Å; L184-Y239 HydrophobicContact CB-CD1 3.68Å; L184-Y239 HydrophobicContact CB-CG 3.92Å; I235-Y239 HydrophobicContact CG2-CD2 3.79Å; I235-Y239 HydrophobicContact CG2-CG 4.22Å; I235-Y239 PolarHBondContact O-N 3.01Å; A236-Y239 CarbonylContact C-O 3.47Å; A236-Y239 WeakPolarHBondContact CA-O 3.33Å; A236-Y239 VanDerWaalsContact O-O 3.1Å; Y239-C298 HydrophobicContact CE1-CB 3.97Å; Y239-L603 HydrophobicContact CE1-CD2 4.41Å; Y239-L603 HydrophobicContact CE2-CB 3.96Å; Y239-L603 HydrophobicContact CE2-CD2 4.23Å; Y239-L603 PolarHBondContact OH-O 2.81Å; Y239-L603 VanDerWaalsContact OH-O 3.06Å; Y239-H607 HydrophobicContact CE2-CB 4.05Å
240	E	95.6	Very high	94.7	Very high	26 Å²	26	34.7 Å²	34.7	12%	0.121	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131	161.5	-167.8	161.9	-88.7	0	0	109	R175 L176 L182 L184	R175-E240 IonicContact CZ-OE1 2.66Å; R175-E240 IonicContact CZ-OE2 3.82Å; R175-E240 IonicContact NH1-OE1 3.63Å; R175-E240 PolarHBondContact NH1-OE1 3.1Å; R175-E240 IonicContact NH1-OE2 2.77Å; R175-E240 VanDerWaalsContact NH2-CD 3.31Å; R175-E240 IonicContact NH2-OE1 3.97Å; R175-E240 PolarHBondContact NH2-OE1 2.94Å; R175-E240 IonicContact NH2-OE2 3.74Å; R175-E240 PolarHBondContact NH2-OE2 3.15Å; L176-E240 HydrophobicContact CD2-CB 4.12Å; L182-E240 PolarHBondContact O-N 3.32Å; L184-E240 PolarHBondContact N-O 3.04Å
241	L	95.8	Very high	94.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.5	-166.7	-50.1	-172.2	0	0	0	111.4	L184 L232 I235 A236 L265 F266 R269	L184-L241 HydrophobicContact CB-CD2 3.99Å; L184-L241 HydrophobicContact CD2-CD2 4.1Å; L232-L241 HydrophobicContact CD2-CD1 3.82Å; I235-L241 HydrophobicContact CG2-CD2 4.08Å; A236-L241 HydrophobicContact CB-CD1 4.05Å; A236-L241 HydrophobicContact CB-CG 4.34Å; L241-L265 HydrophobicContact CD1-CB 4.39Å; L241-F266 HydrophobicContact CB-CD1 3.69Å; L241-F266 HydrophobicContact CB-CE1 3.71Å; L241-F266 HydrophobicContact CD1-CE1 3.96Å; L241-F266 HydrophobicContact CD1-CZ 4.46Å; L241-R269 WeakPolarHBondContact O-CD 3.35Å; L241-R269 PolarHBondContact O-NE 3.07Å
242	H	93.6	Very high	94.5	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.102	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.2	173.7	-65.1	-123.5	0	0	0	109	L184 M185 V186 R269	L184-H242 PolarHBondContact O-N 2.8Å; M185-H242 CarbonylContact C-O 3.57Å; M185-H242 WeakPolarHBondContact CA-O 3.27Å; V186-H242 PolarHBondContact N-O 2.87Å; H242-R269 CarbonylContact C-O 3.59Å; H242-R269 WeakPolarHBondContact CA-O 3.38Å; H242-R269 HydrophobicContact CB-CB 4.35Å
243	V	94.7	Very high	94.3	Very high	1 Å²	1	34 Å²	34	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.2	171.9	176.8	0	0	0	0	109.4	V186 L188 T245 F266 R269 I270 L271	V186-V243 CarbonylContact O-C 3.39Å; V186-V243 WeakPolarHBondContact O-CA 3.28Å; L188-V243 HydrophobicContact CD1-CG1 3.8Å; L188-V243 HydrophobicContact CD2-CG1 3.89Å; L188-V243 HydrophobicContact CD2-CG2 4.49Å; L188-V243 HydrophobicContact CG-CG1 3.76Å; V243-T245 HydrophobicContact CG1-CG2 4.46Å; V243-F266 HydrophobicContact CG2-CB 4.27Å; V243-F266 HydrophobicContact CG2-CD1 3.47Å; V243-F266 VanDerWaalsContact CG2-CD1 3.47Å; V243-F266 HydrophobicContact CG2-CD2 4.22Å; V243-F266 HydrophobicContact CG2-CE1 3.72Å; V243-F266 HydrophobicContact CG2-CE2 4.45Å; V243-F266 HydrophobicContact CG2-CG 3.73Å; V243-F266 HydrophobicContact CG2-CZ 4.21Å; V243-R269 PolarHBondContact N-O 3.27Å; V243-I270 HydrophobicContact CB-CB 4.4Å; V243-I270 HydrophobicContact CB-CG1 4.16Å; V243-I270 HydrophobicContact CB-CG2 4.2Å; V243-I270 HydrophobicContact CG1-CG2 4.23Å; V243-I270 HydrophobicContact CG2-CG1 4.3Å; V243-L271 PolarHBondContact O-N 2.83Å
244	F	93.8	Very high	94.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	96.9	170.4	-165.9	174.6	0	0	0	111.6	M185 V186 L271 C276 K282 N285 W307	M185-F244 HydrophobicContact CE-CB 4.25Å; M185-F244 HydrophobicContact CE-CD1 3.6Å; M185-F244 HydrophobicContact CE-CE1 4.42Å; M185-F244 HydrophobicContact CE-CG 4.38Å; V186-F244 PolarHBondContact O-N 2.84Å; F244-L271 WeakPolarHBondContact CA-O 3.39Å; F244-L271 HydrophobicContact CB-CB 4.36Å; F244-L271 HydrophobicContact CD2-CB 3.74Å; F244-L271 HydrophobicContact CE1-CD2 4.43Å; F244-L271 HydrophobicContact CE2-CB 4.18Å; F244-L271 HydrophobicContact CG-CB 4.02Å; F244-L271 HydrophobicContact CZ-CD2 4.5Å; F244-C276 VanDerWaalsContact CE2-SG 3.6Å; F244-K282 HydrophobicContact CD1-CB 4.16Å; F244-K282 HydrophobicContact CD1-CD 4.26Å; F244-K282 HydrophobicContact CD1-CG 4.46Å; F244-K282 HydrophobicContact CD2-CD 4.13Å; F244-K282 HydrophobicContact CD2-CG 4.3Å; F244-K282 HydrophobicContact CE1-CB 3.55Å; F244-K282 HydrophobicContact CE1-CD 4.4Å; F244-K282 HydrophobicContact CE1-CG 4.09Å; F244-K282 HydrophobicContact CE2-CB 4.19Å; F244-K282 HydrophobicContact CE2-CD 4.23Å; F244-K282 HydrophobicContact CE2-CG 3.88Å; F244-K282 HydrophobicContact CG-CD 4.13Å; F244-K282 HydrophobicContact CZ-CB 3.55Å; F244-K282 HydrophobicContact CZ-CD 4.36Å; F244-K282 HydrophobicContact CZ-CG 3.77Å; F244-K282 WeakPolarHBondContact O-CE 3.48Å; F244-K282 PolarHBondContact O-NZ 3.2Å; F244-N285 HydrophobicContact CE1-CB 4.16Å; F244-N285 HydrophobicContact CZ-CB 4.12Å; F244-N285 WeakPolarHBondContact CZ-ND2 3.44Å; F244-W307 AromaticContact CD1-CH2 3.58Å; F244-W307 HydrophobicContact CD1-CH2 3.58Å; F244-W307 AromaticContact CD1-CZ2 3.96Å; F244-W307 HydrophobicContact CD1-CZ2 3.96Å; F244-W307 AromaticContact CE1-CH2 3.73Å; F244-W307 HydrophobicContact CE1-CH2 3.73Å; F244-W307 HydrophobicContact CE1-CZ2 4.36Å; F244-W307 HydrophobicContact CE1-CZ3 4.43Å
245	T	94	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.			trans	-113.2	162.5	179.4	176.6	0	0	0	0	112.4	L188 D189 V243 G247 A252 L271 S272 R273	L188-T245 HydrophobicContact CD1-CG2 3.81Å; L188-T245 HydrophobicContact CG-CG2 4.43Å; D189-T245 PolarHBondContact OD2-OG1 3.19Å; V243-T245 HydrophobicContact CG1-CG2 4.46Å; T245-G247 PolarHBondContact OG1-N 3.5Å; T245-A252 HydrophobicContact CG2-CB 3.74Å; T245-L271 PolarHBondContact N-O 2.69Å; T245-L271 VanDerWaalsContact N-O 3.14Å; T245-S272 CarbonylContact O-C 3.37Å; T245-S272 WeakPolarHBondContact O-CA 3.44Å; T245-R273 PolarHBondContact O-N 2.94Å
246	F	92.7	Very high	93.9	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.035	13%	0.132	C	C	.	.	S	Bend	trans	-92.2	7.4	163.6	-75.7	-68.6	0	0	0	114	R273 K282 V306 N329 P331	F246-R273 WeakPolarHBondContact O-CB 3.29Å; F246-R273 WeakPolarHBondContact O-CD 3.48Å; F246-R273 PolarHBondContact O-NH1 2.84Å; F246-K282 HydrophobicContact CD2-CG 4.33Å; F246-K282 HydrophobicContact CE1-CG 4.36Å; F246-K282 HydrophobicContact CE2-CD 4.04Å; F246-K282 VanDerWaalsContact CE2-CE 3.47Å; F246-K282 HydrophobicContact CE2-CG 3.51Å; F246-K282 HydrophobicContact CZ-CG 3.53Å; F246-V306 HydrophobicContact CE2-CB 3.78Å; F246-V306 HydrophobicContact CE2-CG1 3.7Å; F246-V306 HydrophobicContact CE2-CG2 4.24Å; F246-V306 HydrophobicContact CZ-CB 4.31Å; F246-V306 HydrophobicContact CZ-CG1 4.39Å; F246-N329 WeakPolarHBondContact CB-O 3.15Å; F246-P331 HydrophobicContact CB-CG 4.46Å; F246-P331 HydrophobicContact CD1-CG 3.93Å; F246-P331 HydrophobicContact CD2-CG 3.52Å; F246-P331 HydrophobicContact CE1-CG 3.92Å; F246-P331 HydrophobicContact CE2-CG 3.5Å; F246-P331 HydrophobicContact CG-CG 3.73Å; F246-P331 HydrophobicContact CZ-CG 3.7Å
247	G	91.3	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-65.8	165.9	162.8	0	0	0	0	0	112.3	T245 S272 R273 N329	T245-G247 PolarHBondContact OG1-N 3.5Å; G247-S272 WeakPolarHBondContact O-CB 3.29Å; G247-R273 VanDerWaalsContact O-CB 3.29Å; G247-R273 WeakPolarHBondContact O-CB 3.44Å; G247-R273 PolarHBondContact O-N 2.95Å; G247-N329 WeakPolarHBondContact CA-OD1 3.33Å
248	S	91.3	Very high	93.5	Very high	26 Å²	26	22 Å²	22	18%	0.182	12%	0.119	C	C	.	.			trans	-68.6	163.6	172.1	61.4	0	0	0	0	111.5	L250 Y251 A252 D274	S248-L250 VanDerWaalsContact C-N 3.29Å; S248-L250 PolarHBondContact O-N 3.5Å; S248-Y251 WeakPolarHBondContact O-CB 3.41Å; S248-Y251 PolarHBondContact O-N 2.78Å; S248-Y251 WeakPolarHBondContact OG-CB 3.3Å; S248-Y251 PolarHBondContact OG-N 3.06Å; S248-A252 PolarHBondContact O-N 2.96Å; S248-D274 WeakPolarHBondContact CA-OD2 3.38Å
249	R	90.1	Very high	93.2	Very high	60 Å²	60	20.1 Å²	20.1	23%	0.226	11%	0.109	C	C	.	.	H	α-helix	trans	-56.4	-44.6	177.4	-172.5	174.2	-173.4	73.5	13.1	111.6	H153 A252 H253 S272 D274 E275	H153-R249 PolarHBondContact O-NH1 3.01Å; R249-A252 PolarHBondContact O-N 3.39Å; R249-H253 PolarHBondContact NE-NE2 2.79Å; R249-H253 PolarHBondContact NH2-NE2 2.86Å; R249-H253 PolarHBondContact O-CD2 3.33Å; R249-H253 VanDerWaalsContact O-CD2 3.25Å; R249-H253 PolarHBondContact O-N 3.34Å; R249-S272 WeakPolarHBondContact CA-OG 3.42Å; R249-S272 PolarHBondContact N-OG 3.1Å; R249-D274 HydrophobicContact CB-CB 4.43Å; R249-D274 WeakPolarHBondContact CB-OD2 3.39Å; R249-D274 PolarHBondContact N-OD2 3.07Å; R249-E275 WeakPolarHBondContact CD-OE1 3.49Å; R249-E275 IonicContact CZ-OE1 3.22Å; R249-E275 IonicContact NE-OE1 2.69Å; R249-E275 VanDerWaalsContact NH1-CD 3.27Å; R249-E275 IonicContact NH1-OE1 3.38Å; R249-E275 PolarHBondContact NH1-OE1 3.03Å; R249-E275 IonicContact NH1-OE2 3.7Å
250	L	91.1	Very high	93	Very high	97 Å²	97	20.5 Å²	20.5	51%	0.508	11%	0.112	S	C	.	.	H	α-helix	trans	-63.2	-44.4	179.1	-172.2	57.4	0	0	0	111.6	L213 S248 A252 H253 T254	L213-L250 HydrophobicContact CB-CD2 4.23Å; L213-L250 HydrophobicContact CD2-CB 4.49Å; L213-L250 HydrophobicContact CD2-CD2 4.48Å; L213-L250 HydrophobicContact CD2-CG 4.01Å; L213-L250 WeakPolarHBondContact O-CD2 3.46Å; S248-L250 VanDerWaalsContact C-N 3.29Å; S248-L250 PolarHBondContact O-N 3.5Å; L250-A252 PolarHBondContact O-N 3Å; L250-H253 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-N 2.8Å; L250-T254 PolarHBondContact O-OG1 2.92Å; L250-T254 VanDerWaalsContact O-OG1 3.13Å
251	Y	93.5	Very high	92.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-47.8	174.1	177.9	-101.1	0	0	0	112.3	D189 I193 T195 F211 L213 L220 S248 H253 T254 I255 N329	D189-Y251 PolarHBondContact OD1-OH 3.29Å; D189-Y251 WeakPolarHBondContact OD2-CE1 3.2Å; I193-Y251 WeakPolarHBondContact CD1-OH 3.2Å; T195-Y251 WeakPolarHBondContact CB-OH 3.41Å; T195-Y251 HydrophobicContact CG2-CE2 4.18Å; T195-Y251 PolarHBondContact OG1-OH 2.95Å; F211-Y251 HydrophobicContact CE2-CD2 4.02Å; F211-Y251 HydrophobicContact CE2-CE2 4.27Å; F211-Y251 HydrophobicContact CZ-CD2 4.03Å; F211-Y251 AromaticContact CZ-CE2 3.84Å; F211-Y251 HydrophobicContact CZ-CE2 3.84Å; L213-Y251 HydrophobicContact CD1-CD2 4.16Å; L220-Y251 HydrophobicContact CD1-CD2 4Å; L220-Y251 HydrophobicContact CD1-CE2 4.14Å; S248-Y251 WeakPolarHBondContact O-CB 3.41Å; S248-Y251 PolarHBondContact O-N 2.78Å; S248-Y251 WeakPolarHBondContact OG-CB 3.3Å; S248-Y251 PolarHBondContact OG-N 3.06Å; Y251-H253 VanDerWaalsContact C-N 3.31Å; Y251-H253 PolarHBondContact O-N 3.48Å; Y251-T254 PolarHBondContact O-N 3.45Å; Y251-I255 HydrophobicContact CD1-CG1 4.31Å; Y251-I255 HydrophobicContact CD2-CG1 4.27Å; Y251-I255 HydrophobicContact CE1-CG1 4Å; Y251-I255 HydrophobicContact CE2-CD1 4.18Å; Y251-I255 HydrophobicContact CE2-CG1 3.93Å; Y251-I255 HydrophobicContact CG-CG1 4.47Å; Y251-I255 WeakPolarHBondContact O-CG1 3.32Å; Y251-I255 PolarHBondContact O-N 3.38Å; Y251-N329 WeakPolarHBondContact CE1-ND2 3.32Å
252	A	93.8	Very high	92.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-38.6	179.6	0	0	0	0	0	112.3	T245 S248 R249 L250 A256 I270	T245-A252 HydrophobicContact CG2-CB 3.74Å; S248-A252 PolarHBondContact O-N 2.96Å; R249-A252 PolarHBondContact O-N 3.39Å; L250-A252 PolarHBondContact O-N 3Å; A252-A256 WeakPolarHBondContact O-CB 3.4Å; A252-A256 PolarHBondContact O-N 2.83Å; A252-I270 HydrophobicContact CB-CG2 3.63Å
253	H	91.6	Very high	92.2	Very high	75 Å²	75	36.2 Å²	36.2	35%	0.347	19%	0.19	S	C	.	.	H	α-helix	trans	-70	-41.3	174.5	-84.1	-77.2	0	0	0	113	R249 L250 Y251 A256 G257	R249-H253 PolarHBondContact NE-NE2 2.79Å; R249-H253 PolarHBondContact NH2-NE2 2.86Å; R249-H253 PolarHBondContact O-CD2 3.33Å; R249-H253 VanDerWaalsContact O-CD2 3.25Å; R249-H253 PolarHBondContact O-N 3.34Å; L250-H253 PolarHBondContact O-N 3.29Å; Y251-H253 VanDerWaalsContact C-N 3.31Å; Y251-H253 PolarHBondContact O-N 3.48Å; H253-A256 PolarHBondContact O-N 3.21Å; H253-G257 PolarHBondContact O-N 3.28Å
254	T	93.4	Very high	92.1	Very high	26 Å²	26	42.8 Å²	42.8	16%	0.16	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-45.7	176.3	-59.3	0	0	0	0	111.5	F211 L250 Y251 G257 F258	F211-T254 HydrophobicContact CB-CG2 4.29Å; F211-T254 HydrophobicContact CD1-CG2 4.21Å; F211-T254 HydrophobicContact CD2-CG2 3.64Å; F211-T254 HydrophobicContact CE1-CG2 4.43Å; F211-T254 HydrophobicContact CE2-CG2 3.9Å; F211-T254 HydrophobicContact CG-CG2 3.8Å; F211-T254 HydrophobicContact CZ-CG2 4.29Å; L250-T254 PolarHBondContact O-N 2.8Å; L250-T254 PolarHBondContact O-OG1 2.92Å; L250-T254 VanDerWaalsContact O-OG1 3.13Å; Y251-T254 PolarHBondContact O-N 3.45Å; T254-G257 PolarHBondContact O-N 3.21Å; T254-F258 HydrophobicContact CG2-CE2 3.72Å; T254-F258 HydrophobicContact CG2-CZ 3.82Å; T254-F258 WeakPolarHBondContact O-CD2 3.46Å; T254-F258 PolarHBondContact O-N 3.32Å
255	I	94.3	Very high	91.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-42.4	175.2	-64.7	-53.5	0	0	0	111.8	L188 I193 F211 T222 Y251 G257 F258 L259	L188-I255 HydrophobicContact CD1-CB 4.13Å; L188-I255 HydrophobicContact CD1-CG2 3.86Å; L188-I255 HydrophobicContact CD2-CG2 4.11Å; L188-I255 HydrophobicContact CG-CG2 4.47Å; I193-I255 HydrophobicContact CD1-CB 4.44Å; I193-I255 HydrophobicContact CD1-CD1 3.77Å; I193-I255 HydrophobicContact CD1-CG1 3.8Å; I193-I255 HydrophobicContact CD1-CG2 3.78Å; I193-I255 HydrophobicContact CG2-CG2 4.31Å; F211-I255 HydrophobicContact CE1-CD1 3.79Å; F211-I255 HydrophobicContact CZ-CD1 3.64Å; F211-I255 HydrophobicContact CZ-CG1 4.44Å; T222-I255 HydrophobicContact CG2-CD1 3.91Å; Y251-I255 HydrophobicContact CD1-CG1 4.31Å; Y251-I255 HydrophobicContact CD2-CG1 4.27Å; Y251-I255 HydrophobicContact CE1-CG1 4Å; Y251-I255 HydrophobicContact CE2-CD1 4.18Å; Y251-I255 HydrophobicContact CE2-CG1 3.93Å; Y251-I255 HydrophobicContact CG-CG1 4.47Å; Y251-I255 WeakPolarHBondContact O-CG1 3.32Å; Y251-I255 PolarHBondContact O-N 3.38Å; I255-G257 PolarHBondContact O-N 2.85Å; I255-F258 HydrophobicContact CD1-CD2 4.13Å; I255-F258 HydrophobicContact CD1-CE2 4.33Å; I255-F258 PolarHBondContact O-N 3.1Å; I255-L259 HydrophobicContact CG2-CD1 3.84Å; I255-L259 HydrophobicContact CG2-CG 4.28Å; I255-L259 WeakPolarHBondContact O-CG 3.41Å; I255-L259 PolarHBondContact O-N 3.22Å; I255-L259 VanDerWaalsContact O-N 3.13Å
256	A	93.2	Very high	91.7	Very high	10 Å²	10	44.2 Å²	44.2	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-34.6	174.9	0	0	0	0	0	111.9	A252 H253 F258 L259 D260 I270	A252-A256 WeakPolarHBondContact O-CB 3.4Å; A252-A256 PolarHBondContact O-N 2.83Å; H253-A256 PolarHBondContact O-N 3.21Å; A256-F258 VanDerWaalsContact C-N 3.31Å; A256-F258 PolarHBondContact O-N 2.88Å; A256-L259 PolarHBondContact O-N 2.98Å; A256-D260 CarbonylContact O-C 3.47Å; A256-D260 WeakPolarHBondContact O-CA 3.31Å; A256-D260 PolarHBondContact O-N 2.92Å; A256-I270 HydrophobicContact CB-CD1 3.61Å
257	G	92.3	Very high	91.3	Very high	35 Å²	35	45.8 Å²	45.8	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-30.6	173.4	0	0	0	0	0	114.7	H253 T254 I255 P261	H253-G257 PolarHBondContact O-N 3.28Å; T254-G257 PolarHBondContact O-N 3.21Å; I255-G257 PolarHBondContact O-N 2.85Å; G257-P261 WeakPolarHBondContact O-CA 2.93Å; G257-P261 WeakPolarHBondContact O-CG 3.24Å
258	F	91.6	Very high	90.9	Very high	25 Å²	25	51.1 Å²	51.1	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-83.3	-29.6	175.3	-53.7	-46.8	0	0	0	113.3	F209 F211 T254 I255 A256	F209-F258 HydrophobicContact CB-CD2 4.05Å; F209-F258 HydrophobicContact CB-CE2 3.96Å; F209-F258 HydrophobicContact CB-CG 4.39Å; F209-F258 HydrophobicContact CB-CZ 4.2Å; F209-F258 HydrophobicContact CD1-CB 4.42Å; F209-F258 AromaticContact CD1-CD1 3.7Å; F209-F258 HydrophobicContact CD1-CD1 3.7Å; F209-F258 HydrophobicContact CD1-CD2 4.46Å; F209-F258 HydrophobicContact CD1-CE1 4.02Å; F209-F258 AromaticContact CD1-CG 3.95Å; F209-F258 HydrophobicContact CD1-CG 3.95Å; F209-F258 HydrophobicContact CE1-CD1 4.25Å; F209-F258 HydrophobicContact CG-CD1 4.27Å; F209-F258 HydrophobicContact CG-CD2 4.22Å; F209-F258 HydrophobicContact CG-CG 4.1Å; F211-F258 HydrophobicContact CB-CZ 4.41Å; F211-F258 AromaticContact CD1-CE2 3.51Å; F211-F258 HydrophobicContact CD1-CE2 3.51Å; F211-F258 AromaticContact CD1-CZ 3.84Å; F211-F258 HydrophobicContact CD1-CZ 3.84Å; F211-F258 AromaticContact CE1-CE2 3.65Å; F211-F258 HydrophobicContact CE1-CE2 3.65Å; F211-F258 HydrophobicContact CE1-CZ 4.42Å; F211-F258 HydrophobicContact CG-CE2 4.29Å; F211-F258 HydrophobicContact CG-CZ 4.34Å; T254-F258 HydrophobicContact CG2-CE2 3.72Å; T254-F258 HydrophobicContact CG2-CZ 3.82Å; T254-F258 WeakPolarHBondContact O-CD2 3.46Å; T254-F258 PolarHBondContact O-N 3.32Å; I255-F258 HydrophobicContact CD1-CD2 4.13Å; I255-F258 HydrophobicContact CD1-CE2 4.33Å; I255-F258 PolarHBondContact O-N 3.1Å; A256-F258 VanDerWaalsContact C-N 3.31Å; A256-F258 PolarHBondContact O-N 2.88Å
259	L	92	Very high	90.8	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-83.7	-36.6	179.8	-66.9	176.8	0	0	0	113.1	L188 L224 L232 I255 A256 F266	L188-L259 HydrophobicContact CD2-CD1 3.95Å; L224-L259 HydrophobicContact CD1-CD2 4.33Å; L224-L259 HydrophobicContact CD2-CD2 3.83Å; L232-L259 HydrophobicContact CD1-CB 4.24Å; L232-L259 HydrophobicContact CD1-CD2 4.24Å; I255-L259 HydrophobicContact CG2-CD1 3.84Å; I255-L259 HydrophobicContact CG2-CG 4.28Å; I255-L259 WeakPolarHBondContact O-CG 3.41Å; I255-L259 PolarHBondContact O-N 3.22Å; I255-L259 VanDerWaalsContact O-N 3.13Å; A256-L259 PolarHBondContact O-N 2.98Å; L259-F266 HydrophobicContact CB-CE2 3.93Å; L259-F266 HydrophobicContact CD1-CE2 4.32Å
260	D	92.8	Very high	90.9	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.048	26%	0.257	C	S	.	.			trans	-140.3	67.8	-172.8	-178.1	26.2	0	0	0	110.6	A256 E262 K263 K264 L265 F266	A256-D260 CarbonylContact O-C 3.47Å; A256-D260 WeakPolarHBondContact O-CA 3.31Å; A256-D260 PolarHBondContact O-N 2.92Å; D260-E262 PolarHBondContact O-N 3.47Å; D260-E262 VanDerWaalsContact O-N 3.16Å; D260-K263 VanDerWaalsContact CG-CA 3.47Å; D260-K263 PolarHBondContact O-N 3.23Å; D260-K263 WeakPolarHBondContact OD1-CA 3.31Å; D260-K263 PolarHBondContact OD1-N 3.48Å; D260-K263 VanDerWaalsContact OD2-CA 3.23Å; D260-K263 WeakPolarHBondContact OD2-CA 3.45Å; D260-K264 PolarHBondContact OD1-N 3.33Å; D260-K264 PolarHBondContact OD2-N 2.69Å; D260-L265 HydrophobicContact CB-CB 4.08Å; D260-L265 HydrophobicContact CB-CD1 4.07Å; D260-L265 HydrophobicContact CB-CG 4.35Å; D260-L265 VanDerWaalsContact CG-N 3.27Å; D260-L265 PolarHBondContact OD1-N 2.87Å; D260-L265 VanDerWaalsContact OD1-N 3.1Å; D260-L265 WeakPolarHBondContact OD2-CA 3.45Å; D260-L265 WeakPolarHBondContact OD2-CB 3.2Å; D260-L265 PolarHBondContact OD2-N 3.41Å; D260-F266 HydrophobicContact CB-CD2 3.61Å; D260-F266 HydrophobicContact CB-CE2 4Å; D260-F266 PolarHBondContact OD2-N 3.4Å
261	P	90.3	Very high	90.8	Very high	91 Å²	91	45.9 Å²	45.9	59%	0.591	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.8	-175.9	-22	32.2	0	0	0	113.3	G257 K263	G257-P261 WeakPolarHBondContact O-CA 2.93Å; G257-P261 WeakPolarHBondContact O-CG 3.24Å; P261-K263 VanDerWaalsContact C-N 3.33Å
262	E	89.4	Confident	90.7	Very high	137 Å²	137	45.8 Å²	45.8	64%	0.64	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.7	179.1	-54	-172.8	112.7	0	0	113.5	D260 K264	D260-E262 PolarHBondContact O-N 3.47Å; D260-E262 VanDerWaalsContact O-N 3.16Å; E262-K264 HydrophobicContact CB-CD 3.94Å; E262-K264 HydrophobicContact CB-CG 3.95Å; E262-K264 PolarHBondContact O-N 2.7Å; E262-K264 IonicContact OE1-NZ 2.8Å; E262-K264 PolarHBondContact OE1-NZ 3.02Å; E262-K264 WeakPolarHBondContact OE2-CD 3.42Å; E262-K264 WeakPolarHBondContact OE2-CE 3.47Å; E262-K264 IonicContact OE2-NZ 3.6Å; E262-K264 PolarHBondContact OE2-NZ 3.43Å
263	K	89.6	Confident	90.5	Very high	151 Å²	151	50.5 Å²	50.5	66%	0.657	25%	0.25	S	S	*	.	S	Bend	trans	58.2	24.5	-179.5	-57.4	176.6	-175.7	171.3	0	114.9	D260 P261 S267	D260-K263 VanDerWaalsContact CG-CA 3.47Å; D260-K263 PolarHBondContact O-N 3.23Å; D260-K263 WeakPolarHBondContact OD1-CA 3.31Å; D260-K263 PolarHBondContact OD1-N 3.48Å; D260-K263 VanDerWaalsContact OD2-CA 3.23Å; D260-K263 WeakPolarHBondContact OD2-CA 3.45Å; P261-K263 VanDerWaalsContact C-N 3.33Å; K263-S267 VanDerWaalsContact O-CA 3.3Å; K263-S267 WeakPolarHBondContact O-CA 3.44Å; K263-S267 WeakPolarHBondContact O-CB 3.38Å; K263-S267 PolarHBondContact O-N 3.46Å
264	K	91.4	Very high	90.2	Very high	139 Å²	139	51.5 Å²	51.5	60%	0.604	26%	0.258	S	S	*	.			trans	-85.1	-29.6	-176.8	-67.4	175.8	-173	161	0	112.9	D260 E262	D260-K264 PolarHBondContact OD1-N 3.33Å; D260-K264 PolarHBondContact OD2-N 2.69Å; E262-K264 HydrophobicContact CB-CD 3.94Å; E262-K264 HydrophobicContact CB-CG 3.95Å; E262-K264 PolarHBondContact O-N 2.7Å; E262-K264 IonicContact OE1-NZ 2.8Å; E262-K264 PolarHBondContact OE1-NZ 3.02Å; E262-K264 WeakPolarHBondContact OE2-CD 3.42Å; E262-K264 WeakPolarHBondContact OE2-CE 3.47Å; E262-K264 IonicContact OE2-NZ 3.6Å; E262-K264 PolarHBondContact OE2-NZ 3.43Å
265	L	90.6	Very high	89.7	Confident	31 Å²	31	51.9 Å²	51.9	16%	0.162	26%	0.258	C	S	.	.	S	Bend	trans	-85.6	-49.6	-173.6	-57.6	170.9	0	0	0	111.7	L232 A236 L241 D260 R269	L232-L265 HydrophobicContact CB-CD1 4.07Å; A236-L265 HydrophobicContact CB-CD2 3.59Å; L241-L265 HydrophobicContact CD1-CB 4.39Å; D260-L265 HydrophobicContact CB-CB 4.08Å; D260-L265 HydrophobicContact CB-CD1 4.07Å; D260-L265 HydrophobicContact CB-CG 4.35Å; D260-L265 VanDerWaalsContact CG-N 3.27Å; D260-L265 PolarHBondContact OD1-N 2.87Å; D260-L265 VanDerWaalsContact OD1-N 3.1Å; D260-L265 WeakPolarHBondContact OD2-CA 3.45Å; D260-L265 WeakPolarHBondContact OD2-CB 3.2Å; D260-L265 PolarHBondContact OD2-N 3.41Å; L265-R269 PolarHBondContact O-NH2 3.39Å
266	F	89.3	Confident	89.2	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.265	C	S	.	.	S	Bend	trans	-107.8	-35.7	-176.8	-52.1	-66.1	0	0	0	112.6	L232 L241 V243 L259 D260 H268 R269 I270	L232-F266 HydrophobicContact CD1-CE2 4.22Å; L232-F266 HydrophobicContact CD1-CZ 3.91Å; L232-F266 HydrophobicContact CD2-CE1 4.32Å; L232-F266 HydrophobicContact CD2-CZ 3.78Å; L232-F266 HydrophobicContact CG-CZ 4.49Å; L241-F266 HydrophobicContact CB-CD1 3.69Å; L241-F266 HydrophobicContact CB-CE1 3.71Å; L241-F266 HydrophobicContact CD1-CE1 3.96Å; L241-F266 HydrophobicContact CD1-CZ 4.46Å; V243-F266 HydrophobicContact CG2-CB 4.27Å; V243-F266 HydrophobicContact CG2-CD1 3.47Å; V243-F266 VanDerWaalsContact CG2-CD1 3.47Å; V243-F266 HydrophobicContact CG2-CD2 4.22Å; V243-F266 HydrophobicContact CG2-CE1 3.72Å; V243-F266 HydrophobicContact CG2-CE2 4.45Å; V243-F266 HydrophobicContact CG2-CG 3.73Å; V243-F266 HydrophobicContact CG2-CZ 4.21Å; L259-F266 HydrophobicContact CB-CE2 3.93Å; L259-F266 HydrophobicContact CD1-CE2 4.32Å; D260-F266 HydrophobicContact CB-CD2 3.61Å; D260-F266 HydrophobicContact CB-CE2 4Å; D260-F266 PolarHBondContact OD2-N 3.4Å; F266-H268 PolarHBondContact O-N 3.04Å; F266-H268 VanDerWaalsContact O-N 3.15Å; F266-R269 VanDerWaalsContact O-CB 3.29Å; F266-R269 WeakPolarHBondContact O-CB 3.5Å; F266-R269 PolarHBondContact O-N 2.87Å; F266-R269 PolarHBondContact O-NE 3.17Å; F266-R269 PolarHBondContact O-NH2 2.92Å; F266-I270 HydrophobicContact CB-CG1 4.49Å
267	S	85.4	Confident	88.7	Confident	41 Å²	41	57.4 Å²	57.4	29%	0.287	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-119.3	-176.7	178.5	0	0	0	0	110.9	K263	K263-S267 VanDerWaalsContact O-CA 3.3Å; K263-S267 WeakPolarHBondContact O-CA 3.44Å; K263-S267 WeakPolarHBondContact O-CB 3.38Å; K263-S267 PolarHBondContact O-N 3.46Å
268	H	82.5	Confident	88.2	Confident	113 Å²	113	57.7 Å²	57.7	52%	0.523	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.9	177.8	-56.2	-71.7	0	0	0	114.5	F266 I270	F266-H268 PolarHBondContact O-N 3.04Å; F266-H268 VanDerWaalsContact O-N 3.15Å; H268-I270 PolarHBondContact O-N 2.98Å
269	R	89.8	Confident	87.8	Confident	67 Å²	67	59.6 Å²	59.6	25%	0.253	30%	0.295	S	S	.	.			trans	-78.9	56.4	-176.5	-60.8	175.4	-69.9	-87.1	-2.6	112.2	L241 H242 V243 L265 F266	L241-R269 WeakPolarHBondContact O-CD 3.35Å; L241-R269 PolarHBondContact O-NE 3.07Å; H242-R269 CarbonylContact C-O 3.59Å; H242-R269 WeakPolarHBondContact CA-O 3.38Å; H242-R269 HydrophobicContact CB-CB 4.35Å; V243-R269 PolarHBondContact N-O 3.27Å; L265-R269 PolarHBondContact O-NH2 3.39Å; F266-R269 VanDerWaalsContact O-CB 3.29Å; F266-R269 WeakPolarHBondContact O-CB 3.5Å; F266-R269 PolarHBondContact O-N 2.87Å; F266-R269 PolarHBondContact O-NE 3.17Å; F266-R269 PolarHBondContact O-NH2 2.92Å
270	I	90.9	Very high	87.4	Confident	3 Å²	3	65 Å²	65	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.6	-177.7	-57.2	177.7	0	0	0	109.6	V243 A252 A256 F266 H268	V243-I270 HydrophobicContact CB-CB 4.4Å; V243-I270 HydrophobicContact CB-CG1 4.16Å; V243-I270 HydrophobicContact CB-CG2 4.2Å; V243-I270 HydrophobicContact CG1-CG2 4.23Å; V243-I270 HydrophobicContact CG2-CG1 4.3Å; A252-I270 HydrophobicContact CB-CG2 3.63Å; A256-I270 HydrophobicContact CB-CD1 3.61Å; F266-I270 HydrophobicContact CB-CG1 4.49Å; H268-I270 PolarHBondContact O-N 2.98Å
271	L	89.9	Confident	87.1	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.3	168	-68.1	86.8	0	0	0	109.4	H153 V243 F244 T245 N285 L289	H153-L271 HydrophobicContact CB-CG 4.09Å; V243-L271 PolarHBondContact O-N 2.83Å; F244-L271 WeakPolarHBondContact CA-O 3.39Å; F244-L271 HydrophobicContact CB-CB 4.36Å; F244-L271 HydrophobicContact CD2-CB 3.74Å; F244-L271 HydrophobicContact CE1-CD2 4.43Å; F244-L271 HydrophobicContact CE2-CB 4.18Å; F244-L271 HydrophobicContact CG-CB 4.02Å; F244-L271 HydrophobicContact CZ-CD2 4.5Å; T245-L271 PolarHBondContact N-O 2.69Å; T245-L271 VanDerWaalsContact N-O 3.14Å; L271-N285 HydrophobicContact CD2-CB 4.49Å; L271-L289 HydrophobicContact CD1-CD1 4.4Å; L271-L289 HydrophobicContact CD1-CD2 4.19Å; L271-L289 HydrophobicContact CD2-CD1 3.79Å; L271-L289 HydrophobicContact CD2-CG 4.26Å
272	S	91.3	Very high	87	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.			trans	-118.8	-179	176.5	77.8	0	0	0	0	110.7	T245 G247 R249 D274 E275 C276	T245-S272 CarbonylContact O-C 3.37Å; T245-S272 WeakPolarHBondContact O-CA 3.44Å; G247-S272 WeakPolarHBondContact O-CB 3.29Å; R249-S272 WeakPolarHBondContact CA-OG 3.42Å; R249-S272 PolarHBondContact N-OG 3.1Å; S272-D274 PolarHBondContact O-N 2.87Å; S272-D274 PolarHBondContact OG-N 2.86Å; S272-D274 VanDerWaalsContact OG-N 3.11Å; S272-E275 WeakPolarHBondContact CA-OE2 3.34Å; S272-E275 WeakPolarHBondContact CB-OE2 3.32Å; S272-E275 PolarHBondContact N-OE2 2.95Å; S272-E275 PolarHBondContact O-N 3.1Å; S272-E275 PolarHBondContact OG-OE2 3.5Å; S272-C276 PolarHBondContact O-SG 3.04Å
273	R	88.6	Confident	86.8	Confident	100 Å²	100	55.8 Å²	55.8	38%	0.377	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.3	-29	169.5	-176.2	174.4	62.3	-138.8	6.4	113.1	T245 F246 G247 E275 C276	T245-R273 PolarHBondContact O-N 2.94Å; F246-R273 WeakPolarHBondContact O-CB 3.29Å; F246-R273 WeakPolarHBondContact O-CD 3.48Å; F246-R273 PolarHBondContact O-NH1 2.84Å; G247-R273 VanDerWaalsContact O-CB 3.29Å; G247-R273 WeakPolarHBondContact O-CB 3.44Å; G247-R273 PolarHBondContact O-N 2.95Å; R273-E275 PolarHBondContact O-N 2.95Å; R273-C276 WeakPolarHBondContact O-CB 3.41Å; R273-C276 PolarHBondContact O-N 3.01Å; R273-C276 VanDerWaalsContact O-N 3.13Å
274	D	86.1	Confident	86.3	Confident	96 Å²	96	50 Å²	50	51%	0.513	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-77.2	-16.8	-172.1	-51.6	-27.1	0	0	0	111.5	S248 R249 S272	S248-D274 WeakPolarHBondContact CA-OD2 3.38Å; R249-D274 HydrophobicContact CB-CB 4.43Å; R249-D274 WeakPolarHBondContact CB-OD2 3.39Å; R249-D274 PolarHBondContact N-OD2 3.07Å; S272-D274 PolarHBondContact O-N 2.87Å; S272-D274 PolarHBondContact OG-N 2.86Å; S272-D274 VanDerWaalsContact OG-N 3.11Å
275	E	83.6	Confident	85.8	Confident	34 Å²	34	43.6 Å²	43.6	16%	0.159	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-101.9	3.2	169.1	-57.8	80.4	-152.4	0	0	113.8	H153 R249 S272 R273 I277 N285	H153-E275 HydrophobicContact CB-CG 4.48Å; R249-E275 WeakPolarHBondContact CD-OE1 3.49Å; R249-E275 IonicContact CZ-OE1 3.22Å; R249-E275 IonicContact NE-OE1 2.69Å; R249-E275 VanDerWaalsContact NH1-CD 3.27Å; R249-E275 IonicContact NH1-OE1 3.38Å; R249-E275 PolarHBondContact NH1-OE1 3.03Å; R249-E275 IonicContact NH1-OE2 3.7Å; S272-E275 WeakPolarHBondContact CA-OE2 3.34Å; S272-E275 WeakPolarHBondContact CB-OE2 3.32Å; S272-E275 PolarHBondContact N-OE2 2.95Å; S272-E275 PolarHBondContact O-N 3.1Å; S272-E275 PolarHBondContact OG-OE2 3.5Å; R273-E275 PolarHBondContact O-N 2.95Å; E275-I277 PolarHBondContact O-N 2.81Å; E275-N285 PolarHBondContact O-OD1 2.93Å
276	C	83	Confident	85.4	Confident	20 Å²	20	42.8 Å²	42.8	14%	0.135	22%	0.221	C	C	.	.			trans	-75.4	119.6	-177.4	-76.5	0	0	0	0	112.9	F244 S272 R273 D278	F244-C276 VanDerWaalsContact CE2-SG 3.6Å; S272-C276 PolarHBondContact O-SG 3.04Å; R273-C276 WeakPolarHBondContact O-CB 3.41Å; R273-C276 PolarHBondContact O-N 3.01Å; R273-C276 VanDerWaalsContact O-N 3.13Å; C276-D278 PolarHBondContact O-N 3.17Å
277	I	81.9	Confident	84.8	Confident	105 Å²	105	53 Å²	53	54%	0.538	26%	0.26	S	S	.	.	S	Bend	trans	-60.2	-34.5	171	-61.8	162.4	0	0	0	112.3	E275 N285	E275-I277 PolarHBondContact O-N 2.81Å; I277-N285 WeakPolarHBondContact CD1-OD1 3.29Å; I277-N285 VanDerWaalsContact CG1-OD1 3.28Å; I277-N285 WeakPolarHBondContact CG1-OD1 3.35Å; I277-N285 PolarHBondContact N-OD1 3.21Å
278	D	82.3	Confident	84.3	Confident	41 Å²	41	53.9 Å²	53.9	22%	0.219	26%	0.262	C	S	.	.	S	Bend	trans	-126.6	112	-178.1	173.1	-0.4	0	0	0	108.9	C276 F280 S281 K308	C276-D278 PolarHBondContact O-N 3.17Å; D278-F280 PolarHBondContact O-N 3.31Å; D278-F280 PolarHBondContact OD1-N 3.29Å; D278-S281 PolarHBondContact O-N 3.48Å; D278-S281 PolarHBondContact OD1-N 3.17Å; D278-S281 VanDerWaalsContact OD2-CB 3.32Å; D278-S281 WeakPolarHBondContact OD2-CB 3.22Å; D278-S281 PolarHBondContact OD2-N 3.14Å; D278-S281 PolarHBondContact OD2-OG 2.82Å; D278-K308 IonicContact OD2-NZ 3.48Å
279	P	82.9	Confident	84	Confident	66 Å²	66	49.8 Å²	49.8	43%	0.429	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.1	179.5	-25.9	35.3	0	0	0	115.3	P331	P279-P331 WeakPolarHBondContact O-CB 3.32Å
280	F	83.9	Confident	83.7	Confident	118 Å²	118	47.8 Å²	47.8	52%	0.518	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-10.5	-175.6	-46.3	-71.2	0	0	0	114	D278 P331 P332	D278-F280 PolarHBondContact O-N 3.31Å; D278-F280 PolarHBondContact OD1-N 3.29Å; F280-P331 HydrophobicContact CD1-CB 4.08Å; F280-P332 WeakPolarHBondContact CD1-O 3.18Å; F280-P332 HydrophobicContact CE1-CB 4.12Å; F280-P332 HydrophobicContact CE1-CG 4.4Å; F280-P332 WeakPolarHBondContact CE1-O 3.45Å
281	S	87	Confident	83.2	Confident	4 Å²	4	49 Å²	49	3%	0.028	24%	0.244	C	C	.	.			trans	-146.5	125.5	175.2	88.3	0	0	0	0	114.3	D278 T283 V306 K308	D278-S281 PolarHBondContact O-N 3.48Å; D278-S281 PolarHBondContact OD1-N 3.17Å; D278-S281 VanDerWaalsContact OD2-CB 3.32Å; D278-S281 WeakPolarHBondContact OD2-CB 3.22Å; D278-S281 PolarHBondContact OD2-N 3.14Å; D278-S281 PolarHBondContact OD2-OG 2.82Å; S281-T283 PolarHBondContact O-N 2.92Å; S281-V306 CarbonylContact C-O 3.6Å; S281-V306 VanDerWaalsContact CA-O 3.24Å; S281-V306 WeakPolarHBondContact CA-O 3.26Å; S281-V306 VanDerWaalsContact CB-O 3.26Å; S281-V306 WeakPolarHBondContact CB-O 3.34Å; S281-K308 WeakPolarHBondContact OG-CE 3.17Å; S281-K308 PolarHBondContact OG-NZ 3.15Å
282	K	87.6	Confident	82.7	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-62.9	-31.3	177.8	-65.3	-173.8	-177.4	175.6	0	111.9	D187 F244 F246 G284 N285 D301 V306 W307	D187-K282 VanDerWaalsContact CG-NZ 3.32Å; D187-K282 IonicContact OD1-NZ 3.63Å; D187-K282 PolarHBondContact OD1-NZ 3.06Å; F244-K282 HydrophobicContact CD1-CB 4.16Å; F244-K282 HydrophobicContact CD1-CD 4.26Å; F244-K282 HydrophobicContact CD1-CG 4.46Å; F244-K282 HydrophobicContact CD2-CD 4.13Å; F244-K282 HydrophobicContact CD2-CG 4.3Å; F244-K282 HydrophobicContact CE1-CB 3.55Å; F244-K282 HydrophobicContact CE1-CD 4.4Å; F244-K282 HydrophobicContact CE1-CG 4.09Å; F244-K282 HydrophobicContact CE2-CB 4.19Å; F244-K282 HydrophobicContact CE2-CD 4.23Å; F244-K282 HydrophobicContact CE2-CG 3.88Å; F244-K282 HydrophobicContact CG-CD 4.13Å; F244-K282 HydrophobicContact CZ-CB 3.55Å; F244-K282 HydrophobicContact CZ-CD 4.36Å; F244-K282 HydrophobicContact CZ-CG 3.77Å; F244-K282 WeakPolarHBondContact O-CE 3.48Å; F244-K282 PolarHBondContact O-NZ 3.2Å; F246-K282 HydrophobicContact CD2-CG 4.33Å; F246-K282 HydrophobicContact CE1-CG 4.36Å; F246-K282 HydrophobicContact CE2-CD 4.04Å; F246-K282 VanDerWaalsContact CE2-CE 3.47Å; F246-K282 HydrophobicContact CE2-CG 3.51Å; F246-K282 HydrophobicContact CZ-CG 3.53Å; K282-G284 PolarHBondContact O-N 3.13Å; K282-N285 PolarHBondContact O-N 3.06Å; K282-N285 VanDerWaalsContact O-N 3.16Å; K282-N285 PolarHBondContact O-ND2 2.84Å; K282-D301 IonicContact NZ-OD2 2.68Å; K282-D301 PolarHBondContact NZ-OD2 3.1Å; K282-V306 HydrophobicContact CD-CG2 4.25Å; K282-V306 HydrophobicContact CG-CB 4.5Å; K282-V306 HydrophobicContact CG-CG2 4.36Å; K282-V306 PolarHBondContact N-O 2.71Å; K282-W307 HydrophobicContact CB-CD2 3.93Å; K282-W307 HydrophobicContact CB-CE3 3.86Å; K282-W307 HydrophobicContact CB-CH2 3.51Å; K282-W307 HydrophobicContact CB-CZ2 3.53Å; K282-W307 HydrophobicContact CB-CZ3 3.64Å; K282-W307 HydrophobicContact CD-CH2 4.25Å; K282-W307 HydrophobicContact CD-CZ2 3.47Å; K282-W307 VanDerWaalsContact CD-CZ2 3.47Å; K282-W307 HydrophobicContact CG-CZ2 4.12Å
283	T	85.4	Confident	82.4	Confident	37 Å²	37	53 Å²	53	23%	0.227	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-43.5	-37.4	-177.7	-41	0	0	0	0	115.7	S281 N285 L286 V306 W307 K308	S281-T283 PolarHBondContact O-N 2.92Å; T283-N285 VanDerWaalsContact C-N 3.26Å; T283-N285 PolarHBondContact O-N 3.23Å; T283-L286 PolarHBondContact O-N 2.96Å; T283-V306 PolarHBondContact OG1-O 3.22Å; T283-W307 WeakPolarHBondContact OG1-CA 3.44Å; T283-K308 HydrophobicContact CG2-CD 4.39Å
284	G	78.2	Confident	82.4	Confident	30 Å²	30	49.6 Å²	49.6	31%	0.309	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-60.9	-34.1	-175.9	0	0	0	0	0	113.7	K282 L286	K282-G284 PolarHBondContact O-N 3.13Å; G284-L286 PolarHBondContact O-N 2.86Å
285	N	81.8	Confident	82.6	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-78.3	-21.6	-170.9	-51.2	-82.3	0	0	0	112.9	F244 L271 E275 I277 K282 T283 R287 N288 L289	F244-N285 HydrophobicContact CE1-CB 4.16Å; F244-N285 HydrophobicContact CZ-CB 4.12Å; F244-N285 WeakPolarHBondContact CZ-ND2 3.44Å; L271-N285 HydrophobicContact CD2-CB 4.49Å; E275-N285 PolarHBondContact O-OD1 2.93Å; I277-N285 WeakPolarHBondContact CD1-OD1 3.29Å; I277-N285 VanDerWaalsContact CG1-OD1 3.28Å; I277-N285 WeakPolarHBondContact CG1-OD1 3.35Å; I277-N285 PolarHBondContact N-OD1 3.21Å; K282-N285 PolarHBondContact O-N 3.06Å; K282-N285 VanDerWaalsContact O-N 3.16Å; K282-N285 PolarHBondContact O-ND2 2.84Å; T283-N285 VanDerWaalsContact C-N 3.26Å; T283-N285 PolarHBondContact O-N 3.23Å; N285-R287 PolarHBondContact O-N 3.21Å; N285-R287 VanDerWaalsContact O-N 3.14Å; N285-N288 PolarHBondContact O-N 3.46Å; N285-L289 PolarHBondContact O-N 3.38Å
286	L	81.4	Confident	83.1	Confident	14 Å²	14	44.4 Å²	44.4	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-54.7	-33.7	178.9	-67.5	176.5	0	0	0	113.1	M185 T283 G284 N288 F290 I299 W307	M185-L286 HydrophobicContact CE-CD2 4.47Å; M185-L286 HydrophobicContact SD-CD2 3.44Å; M185-L286 WeakPolarHBondContact SD-CD2 3.4Å; T283-L286 PolarHBondContact O-N 2.96Å; G284-L286 PolarHBondContact O-N 2.86Å; L286-N288 VanDerWaalsContact C-N 3.33Å; L286-F290 HydrophobicContact CD2-CD2 4.31Å; L286-F290 HydrophobicContact CD2-CE2 4.18Å; L286-F290 PolarHBondContact O-N 2.87Å; L286-I299 HydrophobicContact CD1-CD1 4.46Å; L286-W307 HydrophobicContact CD1-CE3 4.26Å; L286-W307 HydrophobicContact CD1-CZ3 3.81Å; L286-W307 HydrophobicContact CD2-CH2 4.22Å; L286-W307 HydrophobicContact CD2-CZ3 3.86Å; L286-W307 HydrophobicContact CG-CZ3 3.82Å
287	R	78.1	Confident	83.7	Confident	215 Å²	215	43.6 Å²	43.6	81%	0.811	24%	0.236	S	C	*	.	H	α-helix	trans	-73.1	-24.6	-178.7	-65.3	-176.6	177.2	-173.4	-0.6	113.6	N285	N285-R287 PolarHBondContact O-N 3.21Å; N285-R287 VanDerWaalsContact O-N 3.14Å
288	N	73.9	Confident	84.4	Confident	61 Å²	61	38.6 Å²	38.6	33%	0.326	21%	0.21	S	C	.	.	H	α-helix	trans	-90	-42.7	177.5	-66.3	12.1	0	0	0	110	N285 L286 F290	N285-N288 PolarHBondContact O-N 3.46Å; L286-N288 VanDerWaalsContact C-N 3.33Å; N288-F290 PolarHBondContact O-N 2.86Å
289	L	77.3	Confident	85.1	Confident	27 Å²	27	36.7 Å²	36.7	14%	0.141	20%	0.2	C	C	.	.	H	α-helix	trans	-56	-45.6	171.9	-92.3	161.5	0	0	0	113.3	H153 M185 L271 N285 P291	H153-L289 WeakPolarHBondContact NE2-CD2 3.47Å; H153-L289 WeakPolarHBondContact NE2-CG 2.8Å; M185-L289 HydrophobicContact CE-CD1 3.4Å; M185-L289 VanDerWaalsContact CE-CD1 3.4Å; M185-L289 HydrophobicContact SD-CD1 4.38Å; L271-L289 HydrophobicContact CD1-CD1 4.4Å; L271-L289 HydrophobicContact CD1-CD2 4.19Å; L271-L289 HydrophobicContact CD2-CD1 3.79Å; L271-L289 HydrophobicContact CD2-CG 4.26Å; N285-L289 PolarHBondContact O-N 3.38Å; L289-P291 VanDerWaalsContact C-CD 3.5Å; L289-P291 WeakPolarHBondContact O-CD 3.23Å
290	F	83.3	Confident	85.8	Confident	25 Å²	25	33.5 Å²	33.5	11%	0.11	18%	0.18	C	C	.	.			trans	-125	77.8	-173.4	-51.5	-68.4	0	0	0	110.8	V183 M185 L286 N288 C292 G293 V297	V183-F290 HydrophobicContact CG1-CE1 4.13Å; V183-F290 HydrophobicContact CG1-CZ 3.87Å; V183-F290 HydrophobicContact CG2-CE1 4.33Å; M185-F290 HydrophobicContact CE-CE2 4.47Å; M185-F290 HydrophobicContact SD-CE2 3.91Å; M185-F290 HydrophobicContact SD-CZ 4.45Å; L286-F290 HydrophobicContact CD2-CD2 4.31Å; L286-F290 HydrophobicContact CD2-CE2 4.18Å; L286-F290 PolarHBondContact O-N 2.87Å; N288-F290 PolarHBondContact O-N 2.86Å; F290-C292 PolarHBondContact O-N 3.37Å; F290-G293 PolarHBondContact O-N 3.41Å; F290-V297 HydrophobicContact CD1-CG2 3.86Å; F290-V297 HydrophobicContact CD2-CG1 4.45Å; F290-V297 HydrophobicContact CD2-CG2 3.66Å; F290-V297 HydrophobicContact CE1-CG2 3.79Å; F290-V297 HydrophobicContact CE2-CB 4.31Å; F290-V297 HydrophobicContact CE2-CG1 3.78Å; F290-V297 HydrophobicContact CE2-CG2 3.58Å; F290-V297 HydrophobicContact CG-CG2 3.8Å; F290-V297 HydrophobicContact CZ-CG1 4.08Å; F290-V297 HydrophobicContact CZ-CG2 3.66Å
291	P	78.8	Confident	86.4	Confident	27 Å²	27	28 Å²	28	18%	0.175	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.2	179.4	-27.2	34.6	0	0	0	115.3	A165 K166 A169 L289	A165-P291 HydrophobicContact CB-CB 4.13Å; A165-P291 HydrophobicContact CB-CG 3.82Å; K166-P291 HydrophobicContact CG-CB 3.93Å; A169-P291 HydrophobicContact CB-CB 4.24Å; A169-P291 HydrophobicContact CB-CG 4.23Å; L289-P291 VanDerWaalsContact C-CD 3.5Å; L289-P291 WeakPolarHBondContact O-CD 3.23Å
292	C	79.9	Confident	86.8	Confident	52 Å²	52	28.5 Å²	28.5	35%	0.351	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	4.5	176.4	-66.6	0	0	0	0	114.1	K166 A169 F290	K166-C292 PolarHBondContact O-SG 2.64Å; A169-C292 HydrophobicContact CB-CB 4.25Å; F290-C292 PolarHBondContact O-N 3.37Å
293	G	84.6	Confident	86.9	Confident	36 Å²	36	29.3 Å²	29.3	37%	0.371	16%	0.161	S	C	.	.			trans	94.9	156.8	177.6	0	0	0	0	0	114.4	F290 S295	F290-G293 PolarHBondContact O-N 3.41Å; G293-S295 PolarHBondContact O-N 2.67Å; G293-S295 VanDerWaalsContact O-N 3.11Å
294	D	88.8	Confident	87.2	Confident	28 Å²	28	28.2 Å²	28.2	15%	0.15	15%	0.153	C	C	.	.	S	Bend	trans	-83.2	23.5	-169.9	59.9	-35.7	0	0	0	114.5	M296 V297 N312 R629	D294-M296 PolarHBondContact O-N 2.78Å; D294-M296 VanDerWaalsContact O-N 3.14Å; D294-V297 HydrophobicContact CB-CB 4.06Å; D294-V297 HydrophobicContact CB-CG2 4.09Å; D294-V297 PolarHBondContact O-N 2.95Å; D294-N312 PolarHBondContact OD2-ND2 2.78Å; D294-N312 VanDerWaalsContact OD2-ND2 3.1Å; D294-R629 WeakPolarHBondContact OD1-CD 3.3Å; D294-R629 IonicContact OD1-CZ 3.16Å; D294-R629 IonicContact OD1-NE 2.65Å; D294-R629 IonicContact OD1-NH1 2.61Å; D294-R629 PolarHBondContact OD1-NH1 2.85Å; D294-R629 WeakPolarHBondContact OD2-CD 3.41Å
295	S	91.9	Very high	87.7	Confident	13 Å²	13	30.6 Å²	30.6	9%	0.091	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.3	-173.1	64.6	0	0	0	0	115.6	G293 I628	G293-S295 PolarHBondContact O-N 2.67Å; G293-S295 VanDerWaalsContact O-N 3.11Å; S295-I628 WeakPolarHBondContact O-CG1 3.46Å; S295-I628 PolarHBondContact O-N 3.17Å
296	M	94.1	Very high	88.1	Confident	7 Å²	7	30.4 Å²	30.4	3%	0.034	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	6.1	176.1	-74.1	173.9	66.3	0	0	113.1	Q173 L176 H177 K181 L182 V183 D294 Y610	Q173-M296 HydrophobicContact CG-SD 3.41Å; Q173-M296 WeakPolarHBondContact CG-SD 3.45Å; Q173-M296 PolarHBondContact NE2-SD 3.23Å; L176-M296 HydrophobicContact CB-CE 3.64Å; L176-M296 HydrophobicContact CD1-CE 4.35Å; H177-M296 VanDerWaalsContact CD2-CE 3.49Å; H177-M296 WeakPolarHBondContact CD2-CE 3.49Å; H177-M296 PolarHBondContact NE2-SD 3.13Å; K181-M296 WeakPolarHBondContact O-CE 3.43Å; L182-M296 HydrophobicContact CD2-CB 3.85Å; L182-M296 HydrophobicContact CD2-CE 4.2Å; L182-M296 HydrophobicContact CD2-CG 3.95Å; V183-M296 PolarHBondContact N-O 3.2Å; D294-M296 PolarHBondContact O-N 2.78Å; D294-M296 VanDerWaalsContact O-N 3.14Å; M296-Y610 HydrophobicContact CG-CE1 4.39Å; M296-Y610 HydrophobicContact CG-CE2 4.03Å; M296-Y610 WeakPolarHBondContact CG-OH 3.33Å
297	V	94.9	Very high	88.6	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.6	-173.1	-174.3	0	0	0	0	108.9	V183 M185 F290 D294 I299 N312	V183-V297 HydrophobicContact CB-CG2 4.23Å; V183-V297 HydrophobicContact CG1-CG1 4.44Å; M185-V297 HydrophobicContact CG-CG1 3.65Å; M185-V297 HydrophobicContact SD-CG1 3.86Å; F290-V297 HydrophobicContact CD1-CG2 3.86Å; F290-V297 HydrophobicContact CD2-CG1 4.45Å; F290-V297 HydrophobicContact CD2-CG2 3.66Å; F290-V297 HydrophobicContact CE1-CG2 3.79Å; F290-V297 HydrophobicContact CE2-CB 4.31Å; F290-V297 HydrophobicContact CE2-CG1 3.78Å; F290-V297 HydrophobicContact CE2-CG2 3.58Å; F290-V297 HydrophobicContact CG-CG2 3.8Å; F290-V297 HydrophobicContact CZ-CG1 4.08Å; F290-V297 HydrophobicContact CZ-CG2 3.66Å; D294-V297 HydrophobicContact CB-CB 4.06Å; D294-V297 HydrophobicContact CB-CG2 4.09Å; D294-V297 PolarHBondContact O-N 2.95Å; V297-I299 HydrophobicContact CG1-CG1 4.45Å; V297-N312 VanDerWaalsContact O-CB 3.31Å; V297-N312 WeakPolarHBondContact O-CB 3.44Å; V297-N312 PolarHBondContact O-ND2 2.93Å
298	C	96.7	Very high	89.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	150.4	169.1	-164.9	0	0	0	0	109.2	V183 L184 M185 Y239 I314 I628	V183-C298 PolarHBondContact O-N 2.85Å; L184-C298 WeakPolarHBondContact CA-O 3.37Å; L184-C298 HydrophobicContact CD1-CB 3.93Å; M185-C298 PolarHBondContact N-O 2.86Å; Y239-C298 HydrophobicContact CE1-CB 3.97Å; C298-I314 WeakPolarHBondContact SG-CD1 3.43Å; C298-I628 HydrophobicContact CB-CG2 4.26Å
299	I	97.1	Very high	89.8	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.2	-177.2	-52.5	174.8	0	0	0	108.9	M185 L286 V297 W307 N312 L313 I314	M185-I299 HydrophobicContact CB-CG1 4.24Å; M185-I299 HydrophobicContact CB-CG2 4.36Å; M185-I299 HydrophobicContact CG-CG1 4.44Å; L286-I299 HydrophobicContact CD1-CD1 4.46Å; V297-I299 HydrophobicContact CG1-CG1 4.45Å; I299-W307 HydrophobicContact CD1-CD2 4.09Å; I299-W307 HydrophobicContact CD1-CE3 3.82Å; I299-W307 HydrophobicContact CD1-CH2 4.06Å; I299-W307 HydrophobicContact CD1-CZ2 4.35Å; I299-W307 HydrophobicContact CD1-CZ3 3.82Å; I299-W307 HydrophobicContact CG2-CD2 4.1Å; I299-W307 VanDerWaalsContact CG2-CE2 3.5Å; I299-W307 HydrophobicContact CG2-CH2 4.31Å; I299-W307 HydrophobicContact CG2-CZ2 3.61Å; I299-N312 PolarHBondContact N-O 3.16Å; I299-N312 VanDerWaalsContact N-O 3.15Å; I299-L313 HydrophobicContact CB-CD1 4.1Å; I299-L313 HydrophobicContact CG2-CD1 3.76Å; I299-I314 PolarHBondContact O-N 2.96Å
300	I	97.5	Very high	90.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.3	168	55.7	169.2	0	0	0	110.1	L184 M185 V186 D187 F231 I314 V316 L599	L184-I300 HydrophobicContact CD1-CG1 4.13Å; L184-I300 HydrophobicContact CD1-CG2 4.08Å; L184-I300 HydrophobicContact CD2-CD1 4.1Å; L184-I300 HydrophobicContact CD2-CG1 4.42Å; L184-I300 HydrophobicContact CG-CG1 4.32Å; M185-I300 WeakPolarHBondContact O-CG1 3.43Å; M185-I300 PolarHBondContact O-N 3.2Å; V186-I300 HydrophobicContact CB-CG1 4.43Å; V186-I300 HydrophobicContact CG1-CD1 4.26Å; V186-I300 HydrophobicContact CG2-CD1 4.15Å; V186-I300 HydrophobicContact CG2-CG1 4.19Å; D187-I300 PolarHBondContact N-O 2.93Å; D187-I300 VanDerWaalsContact N-O 3.1Å; F231-I300 HydrophobicContact CE1-CD1 4.18Å; F231-I300 HydrophobicContact CZ-CD1 4.06Å; I300-I314 HydrophobicContact CG2-CB 4.05Å; I300-I314 HydrophobicContact CG2-CD1 4.08Å; I300-V316 HydrophobicContact CB-CG2 3.77Å; I300-V316 HydrophobicContact CG2-CG2 4.24Å; I300-L599 HydrophobicContact CD1-CD2 4.13Å; I300-L599 HydrophobicContact CG2-CD1 3.98Å; I300-L599 HydrophobicContact CG2-CD2 4.18Å; I300-L599 HydrophobicContact CG2-CG 4.46Å
301	D	97.1	Very high	91	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	142.9	-174.1	-160.2	-58.5	0	0	0	108.5	D187 K282 R303 W307 L313 V316	D187-D301 HydrophobicContact CB-CB 4.16Å; K282-D301 IonicContact NZ-OD2 2.68Å; K282-D301 PolarHBondContact NZ-OD2 3.1Å; D301-R303 PolarHBondContact O-N 3.05Å; D301-R303 WeakPolarHBondContact OD1-CB 3.44Å; D301-R303 PolarHBondContact OD1-N 2.67Å; D301-W307 VanDerWaalsContact CG-NE1 3.33Å; D301-W307 PolarHBondContact OD2-NE1 2.88Å; D301-L313 HydrophobicContact CB-CD1 3.74Å; D301-V316 PolarHBondContact O-N 2.85Å
302	D	94.3	Very high	91.7	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.08	16%	0.157	C	C	.	.	S	Bend	trans	-73.5	-12.6	175.6	102.5	-66.8	0	0	0	112.7	T191 K318	T191-D302 PolarHBondContact OG1-N 2.74Å; D302-K318 HydrophobicContact CB-CB 4.34Å; D302-K318 IonicContact OD1-NZ 3.75Å; D302-K318 VanDerWaalsContact OD2-CB 3.29Å; D302-K318 WeakPolarHBondContact OD2-CB 3.16Å; D302-K318 WeakPolarHBondContact OD2-CD 3.41Å; D302-K318 WeakPolarHBondContact OD2-CG 3.25Å; D302-K318 IonicContact OD2-NZ 3.89Å; D302-K318 PolarHBondContact OD2-NZ 3.11Å
303	R	91.1	Very high	92.4	Very high	19 Å²	19	26.1 Å²	26.1	7%	0.072	14%	0.142	C	C	.	.			trans	-119.7	120.3	-170.3	-81.4	172.8	71	172.8	2.2	114.5	D301 D305 V306 D327	D301-R303 PolarHBondContact O-N 3.05Å; D301-R303 WeakPolarHBondContact OD1-CB 3.44Å; D301-R303 PolarHBondContact OD1-N 2.67Å; R303-D305 VanDerWaalsContact CB-OD1 3.3Å; R303-D305 WeakPolarHBondContact CB-OD1 3.29Å; R303-D305 IonicContact CZ-OD1 3.44Å; R303-D305 IonicContact CZ-OD2 3.64Å; R303-D305 IonicContact NE-OD1 2.77Å; R303-D305 PolarHBondContact NE-OD1 3.02Å; R303-D305 VanDerWaalsContact NE-OD1 3.1Å; R303-D305 IonicContact NE-OD2 3.77Å; R303-D305 IonicContact NH2-OD1 3.26Å; R303-D305 IonicContact NH2-OD2 2.73Å; R303-D305 PolarHBondContact NH2-OD2 3.22Å; R303-V306 HydrophobicContact CB-CG2 4.04Å; R303-D327 IonicContact NH1-OD2 2.69Å; R303-D327 PolarHBondContact NH1-OD2 2.72Å
304	E	90.7	Very high	93	Very high	13 Å²	13	24.6 Å²	24.6	6%	0.061	13%	0.125	C	C	.	.	S	Bend	trans	-85	-20.2	177.8	-53.3	178.2	134.8	0	0	113	K308 F309 L313 T315 R661 H665	E304-K308 PolarHBondContact O-N 2.91Å; E304-F309 HydrophobicContact CB-CD1 3.58Å; E304-F309 HydrophobicContact CB-CE1 3.54Å; E304-F309 HydrophobicContact CB-CG 4.39Å; E304-F309 HydrophobicContact CB-CZ 4.31Å; E304-F309 HydrophobicContact CG-CD1 4.42Å; E304-F309 HydrophobicContact CG-CE1 4.42Å; E304-F309 PolarHBondContact O-N 3.37Å; E304-L313 HydrophobicContact CB-CD2 4.14Å; E304-L313 HydrophobicContact CG-CD2 3.94Å; E304-T315 HydrophobicContact CG-CG2 3.49Å; E304-T315 VanDerWaalsContact CG-CG2 3.49Å; E304-T315 WeakPolarHBondContact OE1-CG2 3.43Å; E304-T315 PolarHBondContact OE1-OG1 3.19Å; E304-R661 IonicContact OE2-NH2 3.64Å; E304-H665 IonicContact OE1-CE1 2.69Å; E304-H665 PolarHBondContact OE1-CE1 2.95Å; E304-H665 IonicContact OE1-ND1 3.17Å; E304-H665 IonicContact OE2-CE1 2.77Å; E304-H665 PolarHBondContact OE2-CE1 3.4Å; E304-H665 IonicContact OE2-NE2 3.6Å
305	D	89.3	Confident	93.2	Very high	80 Å²	80	23.9 Å²	23.9	43%	0.428	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-45.9	-177.6	62.4	-50.8	0	0	0	111.8	R303 W307 K308	R303-D305 VanDerWaalsContact CB-OD1 3.3Å; R303-D305 WeakPolarHBondContact CB-OD1 3.29Å; R303-D305 IonicContact CZ-OD1 3.44Å; R303-D305 IonicContact CZ-OD2 3.64Å; R303-D305 IonicContact NE-OD1 2.77Å; R303-D305 PolarHBondContact NE-OD1 3.02Å; R303-D305 VanDerWaalsContact NE-OD1 3.1Å; R303-D305 IonicContact NE-OD2 3.77Å; R303-D305 IonicContact NH2-OD1 3.26Å; R303-D305 IonicContact NH2-OD2 2.73Å; R303-D305 PolarHBondContact NH2-OD2 3.22Å; D305-W307 PolarHBondContact O-N 3.46Å; D305-K308 PolarHBondContact O-N 3.35Å
306	V	90.3	Very high	93.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.8	-178.5	-55.3	0	0	0	0	113.2	F246 S281 K282 T283 R303 P331	F246-V306 HydrophobicContact CE2-CB 3.78Å; F246-V306 HydrophobicContact CE2-CG1 3.7Å; F246-V306 HydrophobicContact CE2-CG2 4.24Å; F246-V306 HydrophobicContact CZ-CB 4.31Å; F246-V306 HydrophobicContact CZ-CG1 4.39Å; S281-V306 CarbonylContact C-O 3.6Å; S281-V306 VanDerWaalsContact CA-O 3.24Å; S281-V306 WeakPolarHBondContact CA-O 3.26Å; S281-V306 VanDerWaalsContact CB-O 3.26Å; S281-V306 WeakPolarHBondContact CB-O 3.34Å; K282-V306 HydrophobicContact CD-CG2 4.25Å; K282-V306 HydrophobicContact CG-CB 4.5Å; K282-V306 HydrophobicContact CG-CG2 4.36Å; K282-V306 PolarHBondContact N-O 2.71Å; T283-V306 PolarHBondContact OG1-O 3.22Å; R303-V306 HydrophobicContact CB-CG2 4.04Å; V306-P331 HydrophobicContact CG1-CG 4.4Å
307	W	91.3	Very high	93.3	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.011	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	6.1	174.6	-69.5	111.8	0	0	0	113.6	M185 F244 K282 T283 L286 I299 D301 D305 F309 A310 L313	M185-W307 HydrophobicContact SD-CH2 4.17Å; F244-W307 AromaticContact CD1-CH2 3.58Å; F244-W307 HydrophobicContact CD1-CH2 3.58Å; F244-W307 AromaticContact CD1-CZ2 3.96Å; F244-W307 HydrophobicContact CD1-CZ2 3.96Å; F244-W307 AromaticContact CE1-CH2 3.73Å; F244-W307 HydrophobicContact CE1-CH2 3.73Å; F244-W307 HydrophobicContact CE1-CZ2 4.36Å; F244-W307 HydrophobicContact CE1-CZ3 4.43Å; K282-W307 HydrophobicContact CB-CD2 3.93Å; K282-W307 HydrophobicContact CB-CE3 3.86Å; K282-W307 HydrophobicContact CB-CH2 3.51Å; K282-W307 HydrophobicContact CB-CZ2 3.53Å; K282-W307 HydrophobicContact CB-CZ3 3.64Å; K282-W307 HydrophobicContact CD-CH2 4.25Å; K282-W307 HydrophobicContact CD-CZ2 3.47Å; K282-W307 VanDerWaalsContact CD-CZ2 3.47Å; K282-W307 HydrophobicContact CG-CZ2 4.12Å; T283-W307 WeakPolarHBondContact OG1-CA 3.44Å; L286-W307 HydrophobicContact CD1-CE3 4.26Å; L286-W307 HydrophobicContact CD1-CZ3 3.81Å; L286-W307 HydrophobicContact CD2-CH2 4.22Å; L286-W307 HydrophobicContact CD2-CZ3 3.86Å; L286-W307 HydrophobicContact CG-CZ3 3.82Å; I299-W307 HydrophobicContact CD1-CD2 4.09Å; I299-W307 HydrophobicContact CD1-CE3 3.82Å; I299-W307 HydrophobicContact CD1-CH2 4.06Å; I299-W307 HydrophobicContact CD1-CZ2 4.35Å; I299-W307 HydrophobicContact CD1-CZ3 3.82Å; I299-W307 HydrophobicContact CG2-CD2 4.1Å; I299-W307 VanDerWaalsContact CG2-CE2 3.5Å; I299-W307 HydrophobicContact CG2-CH2 4.31Å; I299-W307 HydrophobicContact CG2-CZ2 3.61Å; D301-W307 VanDerWaalsContact CG-NE1 3.33Å; D301-W307 PolarHBondContact OD2-NE1 2.88Å; D305-W307 PolarHBondContact O-N 3.46Å; W307-F309 PolarHBondContact O-N 2.81Å; W307-F309 VanDerWaalsContact O-N 3.11Å; W307-A310 HydrophobicContact CB-CB 4.25Å; W307-A310 WeakPolarHBondContact O-CB 3.39Å; W307-A310 PolarHBondContact O-N 2.94Å; W307-L313 HydrophobicContact CB-CD2 4.06Å; W307-L313 HydrophobicContact CG-CD2 4.38Å
308	K	89.8	Confident	93.2	Very high	131 Å²	131	27.9 Å²	27.9	57%	0.57	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	35.7	179.3	-65.7	167.2	173.1	156.1	0	112.6	D278 S281 T283 E304 D305	D278-K308 IonicContact OD2-NZ 3.48Å; S281-K308 WeakPolarHBondContact OG-CE 3.17Å; S281-K308 PolarHBondContact OG-NZ 3.15Å; T283-K308 HydrophobicContact CG2-CD 4.39Å; E304-K308 PolarHBondContact O-N 2.91Å; D305-K308 PolarHBondContact O-N 3.35Å
309	F	87.6	Confident	93.1	Very high	110 Å²	110	28 Å²	28	48%	0.482	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	40.4	-174.3	-55.6	-89.2	0	0	0	114.6	E304 W307 Y664	E304-F309 HydrophobicContact CB-CD1 3.58Å; E304-F309 HydrophobicContact CB-CE1 3.54Å; E304-F309 HydrophobicContact CB-CG 4.39Å; E304-F309 HydrophobicContact CB-CZ 4.31Å; E304-F309 HydrophobicContact CG-CD1 4.42Å; E304-F309 HydrophobicContact CG-CE1 4.42Å; E304-F309 PolarHBondContact O-N 3.37Å; W307-F309 PolarHBondContact O-N 2.81Å; W307-F309 VanDerWaalsContact O-N 3.11Å; F309-Y664 AromaticContact CD1-CE1 3.84Å; F309-Y664 HydrophobicContact CD1-CE1 3.84Å; F309-Y664 AromaticContact CD1-CZ 3.76Å; F309-Y664 HydrophobicContact CE1-CE1 4.14Å
310	A	91.6	Very high	92.8	Very high	17 Å²	17	30.9 Å²	30.9	14%	0.14	15%	0.153	C	C	.	.			trans	-51.3	136	177.5	0	0	0	0	0	112.9	W307 N312 L313	W307-A310 HydrophobicContact CB-CB 4.25Å; W307-A310 WeakPolarHBondContact O-CB 3.39Å; W307-A310 PolarHBondContact O-N 2.94Å; A310-N312 VanDerWaalsContact C-N 3.27Å; A310-N312 PolarHBondContact O-N 3.2Å; A310-L313 VanDerWaalsContact O-CB 3.3Å; A310-L313 WeakPolarHBondContact O-CB 3.44Å; A310-L313 PolarHBondContact O-N 2.95Å; A310-L313 VanDerWaalsContact O-N 3.1Å
311	P	92.9	Very high	92.4	Very high	63 Å²	63	31.5 Å²	31.5	41%	0.409	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.8	-171.2	29.9	-37.6	0	0	0	114.5	R629 V632 P633	P311-R629 HydrophobicContact CB-CB 4.31Å; P311-R629 HydrophobicContact CG-CB 3.77Å; P311-R629 HydrophobicContact CG-CG 4.05Å; P311-V632 WeakPolarHBondContact O-CG1 3.43Å; P311-P633 HydrophobicContact CB-CG 4.03Å; P311-P633 WeakPolarHBondContact O-CD 3.44Å; P311-P633 WeakPolarHBondContact O-CG 3.3Å
312	N	94.4	Very high	91.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.5	173.2	48.8	-14.4	0	0	0	113.9	D294 V297 I299 A310 I628 R629	D294-N312 PolarHBondContact OD2-ND2 2.78Å; D294-N312 VanDerWaalsContact OD2-ND2 3.1Å; V297-N312 VanDerWaalsContact O-CB 3.31Å; V297-N312 WeakPolarHBondContact O-CB 3.44Å; V297-N312 PolarHBondContact O-ND2 2.93Å; I299-N312 PolarHBondContact N-O 3.16Å; I299-N312 VanDerWaalsContact N-O 3.15Å; A310-N312 VanDerWaalsContact C-N 3.27Å; A310-N312 PolarHBondContact O-N 3.2Å; N312-I628 HydrophobicContact CB-CG2 3.92Å; N312-R629 HydrophobicContact CB-CG 3.94Å
313	L	95.4	Very high	91.4	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.9	174.2	177.1	63.4	0	0	0	112.2	I299 D301 E304 W307 A310	I299-L313 HydrophobicContact CB-CD1 4.1Å; I299-L313 HydrophobicContact CG2-CD1 3.76Å; D301-L313 HydrophobicContact CB-CD1 3.74Å; E304-L313 HydrophobicContact CB-CD2 4.14Å; E304-L313 HydrophobicContact CG-CD2 3.94Å; W307-L313 HydrophobicContact CB-CD2 4.06Å; W307-L313 HydrophobicContact CG-CD2 4.38Å; A310-L313 VanDerWaalsContact O-CB 3.3Å; A310-L313 WeakPolarHBondContact O-CB 3.44Å; A310-L313 PolarHBondContact O-N 2.95Å; A310-L313 VanDerWaalsContact O-N 3.1Å
314	I	95.7	Very high	90.8	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	106.4	161	-52.8	167.1	0	0	0	107.5	C298 I299 I300 V316 L599 V602 L603 I606 W724	C298-I314 WeakPolarHBondContact SG-CD1 3.43Å; I299-I314 PolarHBondContact O-N 2.96Å; I300-I314 HydrophobicContact CG2-CB 4.05Å; I300-I314 HydrophobicContact CG2-CD1 4.08Å; I314-V316 PolarHBondContact O-N 3.14Å; I314-L599 HydrophobicContact CG2-CD1 3.71Å; I314-V602 HydrophobicContact CD1-CG1 4.02Å; I314-V602 HydrophobicContact CG2-CG1 4.25Å; I314-L603 HydrophobicContact CD1-CD2 3.54Å; I314-L603 HydrophobicContact CD1-CG 4.18Å; I314-I606 HydrophobicContact CD1-CD1 3.5Å; I314-I606 VanDerWaalsContact CD1-CD1 3.5Å; I314-I606 HydrophobicContact CG1-CD1 4.08Å; I314-W724 HydrophobicContact CB-CZ2 4.4Å; I314-W724 HydrophobicContact CG1-CH2 4.19Å; I314-W724 HydrophobicContact CG1-CZ2 4Å; I314-W724 HydrophobicContact CG2-CZ2 4Å
315	T	93.8	Very high	90.4	Very high	14 Å²	14	42.3 Å²	42.3	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	114.3	174.7	-27.8	0	0	0	0	110.2	E304 K636	E304-T315 HydrophobicContact CG-CG2 3.49Å; E304-T315 VanDerWaalsContact CG-CG2 3.49Å; E304-T315 WeakPolarHBondContact OE1-CG2 3.43Å; E304-T315 PolarHBondContact OE1-OG1 3.19Å; T315-K636 PolarHBondContact OG1-NZ 3.03Å
316	V	94.4	Very high	90.2	Very high	8 Å²	8	40 Å²	40	5%	0.048	23%	0.225	C	C	.	.			trans	-84.9	147.7	179.8	173	0	0	0	0	110.7	T191 I300 D301 I314 K318 L599	T191-V316 HydrophobicContact CG2-CB 4.42Å; T191-V316 HydrophobicContact CG2-CG1 4.22Å; T191-V316 HydrophobicContact CG2-CG2 4.21Å; I300-V316 HydrophobicContact CB-CG2 3.77Å; I300-V316 HydrophobicContact CG2-CG2 4.24Å; D301-V316 PolarHBondContact O-N 2.85Å; I314-V316 PolarHBondContact O-N 3.14Å; V316-K318 PolarHBondContact O-N 3.24Å; V316-L599 HydrophobicContact CG2-CD2 4Å
317	K	92.8	Very high	90	Very high	61 Å²	61	40.9 Å²	40.9	27%	0.265	23%	0.229	S	C	.	.			trans	-67.6	112.6	168.8	-179	-161.6	-177.9	-167.2	0	109.4	R225 Y319 D593 H595 E722	R225-K317 VanDerWaalsContact CZ-O 3.24Å; R225-K317 PolarHBondContact NH1-O 3.02Å; R225-K317 PolarHBondContact NH2-O 2.99Å; K317-Y319 PolarHBondContact O-N 3.06Å; K317-Y319 VanDerWaalsContact O-N 3.17Å; K317-D593 WeakPolarHBondContact CD-OD2 3.48Å; K317-D593 WeakPolarHBondContact CE-OD2 3.43Å; K317-D593 IonicContact NZ-OD2 2.8Å; K317-D593 PolarHBondContact NZ-OD2 3.18Å; K317-H595 HydrophobicContact CB-CB 4.33Å; K317-H595 HydrophobicContact CD-CB 4.1Å; K317-H595 PolarHBondContact N-NE2 2.8Å; K317-E722 HydrophobicContact CB-CG 4.04Å; K317-E722 WeakPolarHBondContact CD-OE2 3.42Å; K317-E722 HydrophobicContact CG-CG 4.46Å
318	K	93.4	Very high	89.8	Confident	37 Å²	37	43.5 Å²	43.5	16%	0.161	24%	0.243	C	C	.	.			trans	-41.3	116.6	170.4	-169.7	170	-154.5	67.3	0	112.7	Q190 D302 V316 I320	Q190-K318 HydrophobicContact CB-CG 4.07Å; D302-K318 HydrophobicContact CB-CB 4.34Å; D302-K318 IonicContact OD1-NZ 3.75Å; D302-K318 VanDerWaalsContact OD2-CB 3.29Å; D302-K318 WeakPolarHBondContact OD2-CB 3.16Å; D302-K318 WeakPolarHBondContact OD2-CD 3.41Å; D302-K318 WeakPolarHBondContact OD2-CG 3.25Å; D302-K318 IonicContact OD2-NZ 3.89Å; D302-K318 PolarHBondContact OD2-NZ 3.11Å; V316-K318 PolarHBondContact O-N 3.24Å; K318-I320 HydrophobicContact CD-CD1 4.2Å; K318-I320 HydrophobicContact CG-CD1 4.14Å; K318-I320 HydrophobicContact CG-CG1 3.96Å
319	Y	94.4	Very high	89.6	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.008	22%	0.221	C	C	.	.			trans	-84.4	124.9	178.4	-178.9	-129.6	0	0	0	110.5	Q190 H194 R223 R225 K317 D591 D593	Q190-Y319 WeakPolarHBondContact O-CB 3.32Å; Q190-Y319 PolarHBondContact O-N 2.94Å; H194-Y319 HydrophobicContact CB-CD1 3.66Å; H194-Y319 HydrophobicContact CB-CE1 3.83Å; R223-Y319 VanDerWaalsContact CG-OH 3.28Å; R223-Y319 WeakPolarHBondContact CG-OH 3.33Å; R225-Y319 HydrophobicContact CB-CD1 3.93Å; R225-Y319 HydrophobicContact CB-CD2 4.41Å; R225-Y319 HydrophobicContact CB-CE1 3.88Å; R225-Y319 HydrophobicContact CB-CE2 4.36Å; R225-Y319 HydrophobicContact CB-CG 4.23Å; R225-Y319 HydrophobicContact CG-CD1 4.21Å; R225-Y319 HydrophobicContact CG-CD2 3.86Å; R225-Y319 HydrophobicContact CG-CE1 4.35Å; R225-Y319 HydrophobicContact CG-CE2 4.01Å; R225-Y319 HydrophobicContact CG-CG 3.99Å; K317-Y319 PolarHBondContact O-N 3.06Å; K317-Y319 VanDerWaalsContact O-N 3.17Å; Y319-D591 WeakPolarHBondContact CE2-OD2 3.48Å; Y319-D591 VanDerWaalsContact CZ-OD2 3.28Å; Y319-D591 PolarHBondContact OH-OD2 2.95Å; Y319-D593 HydrophobicContact CD2-CB 4.34Å; Y319-D593 HydrophobicContact CE2-CB 4.28Å
320	I	91	Very high	89.5	Confident	63 Å²	63	33.5 Å²	33.5	32%	0.323	20%	0.203	S	C	.	.			trans	-136	74.6	-173.3	-46.1	177.5	0	0	0	110.3	K318	K318-I320 HydrophobicContact CD-CD1 4.2Å; K318-I320 HydrophobicContact CG-CD1 4.14Å; K318-I320 HydrophobicContact CG-CG1 3.96Å
321	Y	88.4	Confident	88.9	Confident	13 Å²	13	33 Å²	33	5%	0.051	20%	0.198	C	C	.	.	S	Bend	trans	-67.7	-61.2	170	-175.7	-99	0	0	0	112.3	H194 N205 I208 R223 Q323 D589 D591	H194-Y321 PolarHBondContact ND1-N 2.89Å; H194-Y321 VanDerWaalsContact ND1-N 3.18Å; N205-Y321 WeakPolarHBondContact CB-OH 3.49Å; N205-Y321 PolarHBondContact ND2-OH 2.77Å; N205-Y321 VanDerWaalsContact ND2-OH 3.08Å; I208-Y321 HydrophobicContact CD1-CE1 3.86Å; I208-Y321 HydrophobicContact CG1-CE1 4.35Å; R223-Y321 HydrophobicContact CB-CD1 3.72Å; R223-Y321 HydrophobicContact CB-CD2 4.43Å; R223-Y321 HydrophobicContact CB-CE1 4.24Å; R223-Y321 HydrophobicContact CB-CG 3.83Å; R223-Y321 HydrophobicContact CG-CD1 3.89Å; R223-Y321 HydrophobicContact CG-CD2 3.76Å; R223-Y321 HydrophobicContact CG-CE1 4.16Å; R223-Y321 HydrophobicContact CG-CE2 4.03Å; R223-Y321 HydrophobicContact CG-CG 3.68Å; Y321-Q323 PolarHBondContact O-N 3.32Å; Y321-D589 WeakPolarHBondContact CE2-OD1 3.36Å; Y321-D589 PolarHBondContact OH-OD1 3.07Å; Y321-D591 HydrophobicContact CD2-CB 4.22Å; Y321-D591 HydrophobicContact CE2-CB 4.3Å
322	F	88	Confident	87.6	Confident	9 Å²	9	33.9 Å²	33.9	4%	0.039	20%	0.204	C	C	.	.	S	Bend	trans	-71.5	108.6	175	-55.8	-66.7	0	0	0	111.4	H194 T196 M203 I208 H221 R223 I325	H194-F322 PolarHBondContact CE1-O 2.83Å; H194-F322 VanDerWaalsContact CE1-O 3.28Å; H194-F322 AromaticContact ND1-CD2 3.95Å; H194-F322 PolarHBondContact ND1-N 2.65Å; H194-F322 WeakPolarHBondContact O-CE2 3.4Å; T196-F322 HydrophobicContact CG2-CD1 3.87Å; T196-F322 HydrophobicContact CG2-CD2 3.66Å; T196-F322 HydrophobicContact CG2-CE1 3.91Å; T196-F322 HydrophobicContact CG2-CE2 3.69Å; T196-F322 HydrophobicContact CG2-CG 3.75Å; T196-F322 HydrophobicContact CG2-CZ 3.82Å; M203-F322 HydrophobicContact CE-CE1 4.22Å; M203-F322 HydrophobicContact SD-CE1 4.2Å; I208-F322 HydrophobicContact CD1-CE1 4.19Å; I208-F322 HydrophobicContact CD1-CZ 4.22Å; I208-F322 HydrophobicContact CG2-CZ 4.33Å; H221-F322 HydrophobicContact CB-CZ 4.36Å; H221-F322 WeakPolarHBondContact O-CE2 3.39Å; R223-F322 HydrophobicContact CB-CE2 4.42Å; F322-I325 HydrophobicContact CB-CB 3.97Å; F322-I325 HydrophobicContact CB-CG1 3.65Å; F322-I325 PolarHBondContact O-N 2.9Å
323	Q	82.8	Confident	85.9	Confident	154 Å²	154	36.3 Å²	36.3	72%	0.72	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	135.2	-176	-62.8	-175.3	6.5	0	0	111.7	Y321 I325	Y321-Q323 PolarHBondContact O-N 3.32Å; Q323-I325 PolarHBondContact O-N 3.39Å
324	G	78.8	Confident	84.6	Confident	85 Å²	85	36.7 Å²	36.7	88%	0.876	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.9	-10.2	-177.8	0	0	0	0	0	115.1
325	I	83.3	Confident	83	Confident	28 Å²	28	42.8 Å²	42.8	14%	0.144	25%	0.254	C	S	.	.			trans	-84.7	142.4	173.9	-51.8	-57.4	0	0	0	110	Q198 F322 Q323 I328	Q198-I325 HydrophobicContact CB-CD1 4.32Å; Q198-I325 HydrophobicContact CG-CD1 4.19Å; F322-I325 HydrophobicContact CB-CB 3.97Å; F322-I325 HydrophobicContact CB-CG1 3.65Å; F322-I325 PolarHBondContact O-N 2.9Å; Q323-I325 PolarHBondContact O-N 3.39Å; I325-I328 HydrophobicContact CG2-CG2 4.44Å
326	G	83.3	Confident	81.6	Confident	32 Å²	32	45 Å²	45	33%	0.33	26%	0.264	S	S	.	.			trans	-110.2	-178.9	174.4	0	0	0	0	0	111.8	I328	G326-I328 PolarHBondContact O-N 3.34Å
327	D	86.1	Confident	79.8	Confident	18 Å²	18	45.3 Å²	45.3	10%	0.096	27%	0.267	C	S	.	.			trans	-56.2	108.7	168.1	169	13.5	0	0	0	109.8	Q190 R303 N329 A330	Q190-D327 VanDerWaalsContact OE1-N 3.09Å; R303-D327 IonicContact NH1-OD2 2.69Å; R303-D327 PolarHBondContact NH1-OD2 2.72Å; D327-N329 VanDerWaalsContact C-N 3.28Å; D327-N329 WeakPolarHBondContact OD1-CA 3.37Å; D327-N329 PolarHBondContact OD1-N 3.22Å; D327-A330 HydrophobicContact CB-CB 4.03Å; D327-A330 VanDerWaalsContact CG-N 3.3Å; D327-A330 WeakPolarHBondContact O-CB 3.18Å; D327-A330 PolarHBondContact OD1-N 3.32Å; D327-A330 WeakPolarHBondContact OD2-CA 3.45Å; D327-A330 WeakPolarHBondContact OD2-CB 3.26Å; D327-A330 PolarHBondContact OD2-N 3.22Å
328	I	87.8	Confident	78.1	Confident	58 Å²	58	47.6 Å²	47.6	30%	0.297	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.6	179.7	62.6	170.1	0	0	0	112.3	T195 L220 I325 G326	T195-I328 HydrophobicContact CG2-CD1 3.6Å; L220-I328 HydrophobicContact CD2-CD1 3.94Å; I325-I328 HydrophobicContact CG2-CG2 4.44Å; G326-I328 PolarHBondContact O-N 3.34Å
329	N	86.2	Confident	76.3	Confident	20 Å²	20	51 Å²	51	11%	0.107	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	3.1	-178.7	-74.6	-42.7	0	0	0	112.7	D189 F246 G247 Y251 D327	D189-N329 PolarHBondContact OD1-ND2 2.87Å; D189-N329 PolarHBondContact OD2-ND2 3.06Å; F246-N329 WeakPolarHBondContact CB-O 3.15Å; G247-N329 WeakPolarHBondContact CA-OD1 3.33Å; Y251-N329 WeakPolarHBondContact CE1-ND2 3.32Å; D327-N329 VanDerWaalsContact C-N 3.28Å; D327-N329 WeakPolarHBondContact OD1-CA 3.37Å; D327-N329 PolarHBondContact OD1-N 3.22Å
330	A	84.3	Confident	74.5	Confident	12 Å²	12	54.1 Å²	54.1	10%	0.099	32%	0.323	C	S	.	.			trans	-53.2	130.3	-174.8	0	0	0	0	0	112.3	D327 S334 E336 A337	D327-A330 HydrophobicContact CB-CB 4.03Å; D327-A330 VanDerWaalsContact CG-N 3.3Å; D327-A330 WeakPolarHBondContact O-CB 3.18Å; D327-A330 PolarHBondContact OD1-N 3.32Å; D327-A330 WeakPolarHBondContact OD2-CA 3.45Å; D327-A330 WeakPolarHBondContact OD2-CB 3.26Å; D327-A330 PolarHBondContact OD2-N 3.22Å; A330-S334 WeakPolarHBondContact CB-OG 3.21Å; A330-E336 HydrophobicContact CB-CB 4.24Å; A330-A337 HydrophobicContact CB-CB 4.46Å
331	P	79.8	Confident	72.7	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.039	34%	0.342	C	S	.	.			trans	-43.6	136.6	174.9	-38.1	39.4	0	0	0	114.1	F246 P279 F280 V306 G333 S334	F246-P331 HydrophobicContact CB-CG 4.46Å; F246-P331 HydrophobicContact CD1-CG 3.93Å; F246-P331 HydrophobicContact CD2-CG 3.52Å; F246-P331 HydrophobicContact CE1-CG 3.92Å; F246-P331 HydrophobicContact CE2-CG 3.5Å; F246-P331 HydrophobicContact CG-CG 3.73Å; F246-P331 HydrophobicContact CZ-CG 3.7Å; P279-P331 WeakPolarHBondContact O-CB 3.32Å; F280-P331 HydrophobicContact CD1-CB 4.08Å; V306-P331 HydrophobicContact CG1-CG 4.4Å; P331-G333 PolarHBondContact O-N 2.9Å; P331-S334 WeakPolarHBondContact O-CB 3.14Å; P331-S334 PolarHBondContact O-N 3.39Å; P331-S334 PolarHBondContact O-OG 2.77Å
332	P	64.8	Low	70.4	Confident	82 Å²	82	67 Å²	67	53%	0.532	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	134.7	-176.4	-25.4	33	0	0	0	112.1	F280 S334	F280-P332 WeakPolarHBondContact CD1-O 3.18Å; F280-P332 HydrophobicContact CE1-CB 4.12Å; F280-P332 HydrophobicContact CE1-CG 4.4Å; F280-P332 WeakPolarHBondContact CE1-O 3.45Å; P332-S334 VanDerWaalsContact C-N 3.27Å; P332-S334 PolarHBondContact O-N 2.93Å
333	G	60.4	Low	68.2	Low	50 Å²	50	70.5 Å²	70.5	52%	0.515	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-5.4	-178.8	0	0	0	0	0	115.2	P331 Q338	P331-G333 PolarHBondContact O-N 2.9Å; G333-Q338 PolarHBondContact O-NE2 3.47Å
334	S	67	Low	66	Low	15 Å²	15	66 Å²	66	11%	0.105	40%	0.402	C	S	.	.	S	Bend	trans	-51	156.7	158.9	59	0	0	0	0	111.3	A330 P331 P332 E336 A337 Q338	A330-S334 WeakPolarHBondContact CB-OG 3.21Å; P331-S334 WeakPolarHBondContact O-CB 3.14Å; P331-S334 PolarHBondContact O-N 3.39Å; P331-S334 PolarHBondContact O-OG 2.77Å; P332-S334 VanDerWaalsContact C-N 3.27Å; P332-S334 PolarHBondContact O-N 2.93Å; S334-E336 PolarHBondContact O-N 3.15Å; S334-A337 PolarHBondContact O-N 3.25Å; S334-A337 WeakPolarHBondContact OG-CB 3.31Å; S334-A337 PolarHBondContact OG-N 3.42Å; S334-Q338 WeakPolarHBondContact O-CG 3.49Å; S334-Q338 PolarHBondContact O-N 2.85Å
335	R	62.7	Low	63.7	Low	131 Å²	131	64.8 Å²	64.8	49%	0.494	39%	0.39	S	S	.	.	H	α-helix	trans	-66.2	-31.9	-176.1	-58.7	-173.4	67.3	176.2	0.9	111	Q338 M339 P747	R335-Q338 CarbonylContact O-C 3.58Å; R335-Q338 WeakPolarHBondContact O-CB 3.26Å; R335-Q338 PolarHBondContact O-N 3.48Å; R335-M339 VanDerWaalsContact O-CG 3.26Å; R335-M339 WeakPolarHBondContact O-CG 3.46Å; R335-M339 PolarHBondContact O-N 2.86Å; R335-P747 VanDerWaalsContact NH2-CB 3.3Å
336	E	63.2	Low	61.5	Low	61 Å²	61	70.1 Å²	70.1	29%	0.285	43%	0.426	S	S	.	.	H	α-helix	trans	-67.4	-50.8	179.1	-64	59.4	-133.9	0	0	109.2	A330 S334 Q338 M339 A340	A330-E336 HydrophobicContact CB-CB 4.24Å; S334-E336 PolarHBondContact O-N 3.15Å; E336-Q338 VanDerWaalsContact C-N 3.27Å; E336-Q338 PolarHBondContact O-N 3.14Å; E336-M339 PolarHBondContact O-N 3.46Å; E336-A340 PolarHBondContact O-N 3.28Å
337	A	58.3	Low	58.9	Low	15 Å²	15	74 Å²	74	12%	0.124	45%	0.448	C	S	.	.	H	α-helix	trans	-63.3	-29.2	172.2	0	0	0	0	0	113.3	A330 S334 K341	A330-A337 HydrophobicContact CB-CB 4.46Å; S334-A337 PolarHBondContact O-N 3.25Å; S334-A337 WeakPolarHBondContact OG-CB 3.31Å; S334-A337 PolarHBondContact OG-N 3.42Å; A337-K341 VanDerWaalsContact O-CG 3.29Å; A337-K341 WeakPolarHBondContact O-CG 3.01Å; A337-K341 PolarHBondContact O-N 2.91Å
338	Q	56.1	Low	56.3	Low	109 Å²	109	78 Å²	78	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-74	-29.2	171.5	-69.6	179.9	41.1	0	0	113.1	G333 S334 R335 E336	G333-Q338 PolarHBondContact O-NE2 3.47Å; S334-Q338 WeakPolarHBondContact O-CG 3.49Å; S334-Q338 PolarHBondContact O-N 2.85Å; R335-Q338 CarbonylContact O-C 3.58Å; R335-Q338 WeakPolarHBondContact O-CB 3.26Å; R335-Q338 PolarHBondContact O-N 3.48Å; E336-Q338 VanDerWaalsContact C-N 3.27Å; E336-Q338 PolarHBondContact O-N 3.14Å
339	M	56.4	Low	53.6	Low	107 Å²	107	86.2 Å²	86.2	53%	0.527	51%	0.505	S	S	.	.	H	α-helix	trans	-76.8	-44	176.1	-75.6	175.2	-169.8	0	0	111.3	R335 E336 K341 K342 A343	R335-M339 VanDerWaalsContact O-CG 3.26Å; R335-M339 WeakPolarHBondContact O-CG 3.46Å; R335-M339 PolarHBondContact O-N 2.86Å; E336-M339 PolarHBondContact O-N 3.46Å; M339-K341 VanDerWaalsContact C-N 3.29Å; M339-K341 PolarHBondContact O-N 3.49Å; M339-K342 CarbonylContact O-C 3.54Å; M339-K342 WeakPolarHBondContact O-CA 3.43Å; M339-K342 PolarHBondContact O-N 3.16Å; M339-A343 PolarHBondContact O-N 3.25Å
340	A	56.6	Low	50.9	Low	68 Å²	68	91.2 Å²	91.2	56%	0.562	54%	0.538	S	S	*	.	H	α-helix	trans	-54.1	-46.7	173.2	0	0	0	0	0	111.4	E336 K342 A343 G344	E336-A340 PolarHBondContact O-N 3.28Å; A340-K342 PolarHBondContact O-N 2.83Å; A340-K342 VanDerWaalsContact O-N 3.1Å; A340-A343 PolarHBondContact O-N 2.6Å; A340-G344 PolarHBondContact O-N 2.94Å
341	K	51.9	Low	48.1	Very low	168 Å²	168	97 Å²	97	73%	0.73	57%	0.572	S	S	*	*	H	α-helix	trans	-67.9	-4.4	175.7	-68.7	176.6	-176.7	-177	0	115.2	A337 M339	A337-K341 VanDerWaalsContact O-CG 3.29Å; A337-K341 WeakPolarHBondContact O-CG 3.01Å; A337-K341 PolarHBondContact O-N 2.91Å; M339-K341 VanDerWaalsContact C-N 3.29Å; M339-K341 PolarHBondContact O-N 3.49Å
342	K	41.9	Very low	45.9	Very low	180 Å²	180	105.4 Å²	105.4	78%	0.783	61%	0.611	S	S	*	*	H	α-helix	trans	-111.5	-19.7	171.8	-80.9	-178.6	173.8	176.4	0	113.8	M339 A340	M339-K342 CarbonylContact O-C 3.54Å; M339-K342 WeakPolarHBondContact O-CA 3.43Å; M339-K342 PolarHBondContact O-N 3.16Å; A340-K342 PolarHBondContact O-N 2.83Å; A340-K342 VanDerWaalsContact O-N 3.1Å
343	A	40.2	Very low	44.1	Very low	82 Å²	82	106.9 Å²	106.9	68%	0.678	62%	0.624	S	S	*	*	H	α-helix	trans	-75.5	-28.8	172.8	0	0	0	0	0	111.8	M339 A340 G345	M339-A343 PolarHBondContact O-N 3.25Å; A340-A343 PolarHBondContact O-N 2.6Å; A343-G345 PolarHBondContact O-N 3.38Å; A343-G345 VanDerWaalsContact O-N 3.13Å
344	G	37	Very low	42.5	Very low	58 Å²	58	110 Å²	110	60%	0.598	63%	0.633	S	S	*	*	S	Bend	trans	-64.2	106.8	170	0	0	0	0	0	112.4	A340	A340-G344 PolarHBondContact O-N 2.94Å
345	G	30.3	Very low	40.6	Very low	61 Å²	61	118.8 Å²	118.8	63%	0.629	67%	0.673	S	S	*	*			trans	-66.1	158.8	169.5	0	0	0	0	0	112.6	A343 S347	A343-G345 PolarHBondContact O-N 3.38Å; A343-G345 VanDerWaalsContact O-N 3.13Å; G345-S347 PolarHBondContact O-N 2.91Å; G345-S347 VanDerWaalsContact O-N 3.09Å
346	P	37.7	Very low	38.9	Very low	140 Å²	140	121.5 Å²	121.5	91%	0.909	69%	0.691	S	S	*	*			trans	-76.5	100.8	-171.3	30.3	-34.8	0	0	0	112.4
347	S	29.5	Very low	37.1	Very low	113 Å²	113	123.1 Å²	123.1	79%	0.79	72%	0.715	S	S	*	*			trans	-89.9	141.9	165.7	-161.1	0	0	0	0	111.6	G345	G345-S347 PolarHBondContact O-N 2.91Å; G345-S347 VanDerWaalsContact O-N 3.09Å
348	S	30	Very low	35.5	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	75%	0.753	S	S	*	*			trans	-27.5	126.9	-174.5	51.3	0	0	0	0	118.7
349	R	31.3	Very low	34.2	Very low	229 Å²	229	131.3 Å²	131.3	86%	0.864	77%	0.767	S	S	*	*			trans	-73.4	131.7	144.5	-76.7	-177.4	174.3	-179.4	-3.6	109.7
350	P	29.5	Very low	32.7	Very low	125 Å²	125	134.5 Å²	134.5	81%	0.812	78%	0.784	S	S	*	*			trans	-66.3	149.1	148.7	-12.8	29.5	0	0	0	109.6
351	T	26.5	Very low	31.3	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	79%	0.794	S	S	*	*			trans	-125.3	146.4	172	-44.7	0	0	0	0	109
352	E	33.1	Very low	30	Very low	183 Å²	183	132.2 Å²	132.2	86%	0.855	80%	0.797	S	S	*	*			trans	-78.1	142.9	-166.5	-56.8	163.5	111.1	0	0	114.8
353	S	26.4	Very low	29.5	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	80%	0.797	S	S	*	*			trans	-165.3	103	145.8	57.4	0	0	0	0	108.2
354	T	28.1	Very low	29.1	Very low	117 Å²	117	133.8 Å²	133.8	72%	0.718	80%	0.798	S	S	*	*				76.7	103.9	68.3	-58.5	0	0	0	0	113.7
355	E	25.2	Very low	28.9	Very low	199 Å²	199	136.7 Å²	136.7	93%	0.93	80%	0.796	S	S	*	*			trans	-130.5	148.4	144.4	-71.6	-158.4	126.5	0	0	109
356	Q	27	Very low	28.7	Very low	187 Å²	187	141.9 Å²	141.9	87%	0.874	81%	0.809	S	S	*	*			trans	-141.2	124.8	-178.3	-76.9	-172.8	-26.3	0	0	111.4
357	A	27	Very low	28.3	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	79%	0.794	S	S	*	*			trans	-170.6	145.2	155.7	0	0	0	0	0	108
358	E	24.1	Very low	28.1	Very low	198 Å²	198	138.3 Å²	138.3	93%	0.925	79%	0.789	S	S	*	*			cis	-150.8	164	-8.2	-123.2	178.3	178.5	0	0	108
359	A	28.5	Very low	27.8	Very low	97 Å²	97	141.9 Å²	141.9	80%	0.802	80%	0.799	S	S	*	*			trans	-133.5	143.5	-167.1	0	0	0	0	0	115.2
360	I	24.6	Very low	27.7	Very low	174 Å²	174	142.1 Å²	142.1	89%	0.892	80%	0.8	S	S	*	*			trans	-149.1	142	166.1	-51.9	-180	0	0	0	108.7
361	A	27.3	Very low	27.6	Very low	93 Å²	93	145.6 Å²	145.6	77%	0.769	80%	0.802	S	S	*	*			cis	-176.4	126	-48.4	0	0	0	0	0	110
362	A	25.9	Very low	27.5	Very low	95 Å²	95	150.7 Å²	150.7	79%	0.785	81%	0.807	S	S	*	*			trans	-179.5	118.7	154.3	0	0	0	0	0	107.6
363	D	29.8	Very low	27	Very low	149 Å²	149	147.1 Å²	147.1	80%	0.797	80%	0.802	S	S	*	*				72.7	139.5	62.8	-81.7	16.9	0	0	0	114
364	E	32.2	Very low	26.9	Very low	147 Å²	147	150.2 Å²	150.2	69%	0.687	80%	0.801	S	S	*	*			cis	-166.8	172.4	-20.5	-129	-149.6	155.2	0	0	107.3
365	Q	32.6	Very low	26.6	Very low	119 Å²	119	151.7 Å²	151.7	56%	0.556	80%	0.8	S	S	*	*			cis	-151.5	150.2	1.2	-174.6	177.1	127	0	0	108.7	N367	Q365-N367 HydrophobicContact CG-CB 3.92Å; Q365-N367 PolarHBondContact OE1-ND2 2.97Å
366	N	27	Very low	26.8	Very low	169 Å²	169	147.3 Å²	147.3	90%	0.904	79%	0.789	S	S	*	*			trans	-136.8	131.1	151.2	-170.9	-0.4	0	0	0	109.2
367	N	28.3	Very low	26.5	Very low	113 Å²	113	142.9 Å²	142.9	60%	0.604	78%	0.778	S	S	*	*			trans	-151.1	116.5	-162.3	-163.2	-2.3	0	0	0	112.5	Q365	Q365-N367 HydrophobicContact CG-CB 3.92Å; Q365-N367 PolarHBondContact OE1-ND2 2.97Å
368	G	25.8	Very low	26.3	Very low	66 Å²	66	146.2 Å²	146.2	68%	0.68	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-97.7	133.8	175.1	0	0	0	0	0	111.9
369	L	24.3	Very low	26.3	Very low	177 Å²	177	142.3 Å²	142.3	93%	0.927	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-85.3	131.9	-176.9	-156.5	69.9	0	0	0	112.7
370	R	28.3	Very low	26	Very low	234 Å²	234	143.4 Å²	143.4	88%	0.883	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-76.1	163.1	-178.7	-57.5	175.2	176.6	-176.9	-2.7	112.4
371	K	27.9	Very low	26.1	Very low	199 Å²	199	142.7 Å²	142.7	87%	0.865	76%	0.763	S	S	*	*				152.3	145.5	107.5	-166.4	169.1	-171.4	176.5	0	112.5
372	R	23.7	Very low	25.9	Very low	240 Å²	240	144.9 Å²	144.9	91%	0.906	76%	0.757	S	S	*	*			trans	-111.4	138.1	173.8	-164.3	-178.8	-168.4	-164.7	6.5	110.6
373	S	23.3	Very low	25.8	Very low	108 Å²	108	148 Å²	148	76%	0.755	76%	0.756	S	S	*	*			trans	-126.3	175.9	171.8	-64.3	0	0	0	0	109.9
374	K	24	Very low	25.6	Very low	177 Å²	177	147.6 Å²	147.6	77%	0.77	75%	0.753	S	S	*	*			trans	-133.4	144.5	-160.7	-159	-165.5	-178.3	-140.7	0	112.5
375	E	21.3	Very low	25.1	Very low	148 Å²	148	145.5 Å²	145.5	69%	0.692	76%	0.755	S	S	*	*			trans	67.1	157.9	167.6	-79.9	159.8	-127.9	0	0	117.9
376	P	30.8	Very low	24.8	Very low	107 Å²	107	148 Å²	148	70%	0.695	77%	0.771	S	S	*	*			cis	-137.8	169.2	-23.8	37.6	-19.5	0	0	0	116.4
377	S	19.6	Very low	25	Very low	94 Å²	94	145.4 Å²	145.4	66%	0.657	76%	0.763	S	S	*	*			trans	53	125.3	141.8	64.8	0	0	0	0	124.7
378	I	22.7	Very low	24.9	Very low	167 Å²	167	149.8 Å²	149.8	86%	0.856	78%	0.78	S	S	*	*			trans	68.4	113.9	139.3	-56	161.5	0	0	0	119.4
379	S	23.7	Very low	24.9	Very low	116 Å²	116	151.5 Å²	151.5	81%	0.811	78%	0.781	S	S	*	*				-170.6	158.5	117.1	-163.7	0	0	0	0	112.8
380	T	23.1	Very low	25.3	Very low	120 Å²	120	148 Å²	148	74%	0.736	77%	0.772	S	S	*	*			trans	-95.7	155.9	-179.8	39	0	0	0	0	114.9
381	K	25.7	Very low	25.3	Very low	158 Å²	158	144.6 Å²	144.6	69%	0.687	77%	0.766	S	S	*	*			trans	75.9	145.5	144.6	-93.8	167	155.7	-83	0	121.3
382	E	23.6	Very low	25.3	Very low	139 Å²	139	143.2 Å²	143.2	65%	0.65	76%	0.763	S	S	*	*			trans	53.7	103.4	150.8	-75.8	138.2	-170.1	0	0	117.2
383	E	24.1	Very low	25.4	Very low	162 Å²	162	135.6 Å²	135.6	76%	0.757	76%	0.758	S	S	*	*				69.2	103.4	63.8	-158.6	-153.5	148.5	0	0	114
384	L	25.3	Very low	25.6	Very low	139 Å²	139	135.6 Å²	135.6	73%	0.728	77%	0.765	S	S	*	*				167.5	142.4	120.7	-91.8	170.3	0	0	0	115
385	S	22.9	Very low	25.8	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	77%	0.77	S	S	*	*			trans	55.7	128.7	147.2	64.4	0	0	0	0	123
386	L	24.8	Very low	26.1	Very low	171 Å²	171	129.1 Å²	129.1	90%	0.895	78%	0.778	S	S	*	*			trans	-78.7	143.6	145.8	-74.9	163.7	0	0	0	110.1
387	P	30.8	Very low	26.1	Very low	115 Å²	115	131.2 Å²	131.2	75%	0.747	78%	0.778	S	S	*	*			trans	-96.7	155.5	171.6	36.3	-33.1	0	0	0	113.3
388	Q	27.2	Very low	26.8	Very low	204 Å²	204	136.5 Å²	136.5	95%	0.953	78%	0.784	S	S	*	*			trans	-127.9	163.2	155.6	-85.6	-168.1	-34.8	0	0	110.2
389	S	26.6	Very low	27.4	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	77%	0.772	S	S	*	*			trans	-114.7	133	-152.4	54.9	0	0	0	0	115.3
390	S	31	Very low	27.9	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	78%	0.777	S	S	*	*			trans	58.9	152.1	140.9	63.8	0	0	0	0	119.5
391	Q	29.6	Very low	28	Very low	163 Å²	163	135 Å²	135	76%	0.762	78%	0.779	S	S	*	*			cis	-154.4	167.5	17.4	-152	168.1	-23.6	0	0	113.9
392	E	27.5	Very low	28.3	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	79%	0.785	S	S	*	*			trans	-36.7	159.4	179	-56.7	157.4	107.6	0	0	121.4
393	G	24.7	Very low	28.7	Very low	79 Å²	79	130.2 Å²	130.2	81%	0.814	79%	0.788	S	S	*	*			trans	162.5	131.5	157	0	0	0	0	0	114.2
394	A	27.5	Very low	29.3	Very low	108 Å²	108	130.6 Å²	130.6	89%	0.893	79%	0.79	S	S	*	*			trans	-155	161	-175	0	0	0	0	0	116.8
395	A	28.3	Very low	29.8	Very low	107 Å²	107	131.5 Å²	131.5	88%	0.884	79%	0.79	S	S	*	*			trans	98.8	123.2	156.6	0	0	0	0	0	121.7
396	G	27.5	Very low	30.3	Very low	82 Å²	82	132.3 Å²	132.3	85%	0.845	79%	0.786	S	S	*	*			trans	86.6	143.4	156.8	0	0	0	0	0	117.9
397	E	32.2	Very low	30.6	Very low	151 Å²	151	130.9 Å²	130.9	71%	0.706	78%	0.775	S	S	*	*			cis	-163	153.9	-12	-154.2	-161.5	139.3	0	0	109.9
398	R	34.6	Very low	30.5	Very low	206 Å²	206	133.1 Å²	133.1	78%	0.777	78%	0.775	S	S	*	*			trans	72.5	147.3	163.2	-60.2	-163	-175.4	-159.1	-4.9	120.3
399	T	35.1	Very low	30.6	Very low	99 Å²	99	131.9 Å²	131.9	61%	0.607	77%	0.77	S	S	*	*			cis	-167.6	139.8	-11.4	-92.4	0	0	0	0	112.1
400	Q	34.5	Very low	30.8	Very low	197 Å²	197	131.3 Å²	131.3	92%	0.921	77%	0.771	S	S	*	*			trans	59.4	149.8	162.8	-74.6	159.3	-15.4	0	0	119.7
401	G	24.5	Very low	30.5	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	77%	0.77	S	S	*	*			cis	-170.5	147.9	-6.3	0	0	0	0	0	109.7
402	G	31.6	Very low	30.4	Very low	79 Å²	79	133.8 Å²	133.8	81%	0.814	78%	0.779	S	S	*	*				97.8	141.4	92.8	0	0	0	0	0	111.7
403	V	32.9	Very low	30.3	Very low	119 Å²	119	130 Å²	130	72%	0.721	77%	0.771	S	S	*	*			cis	-158.8	137.2	17	154.6	0	0	0	0	110.6
404	E	36.4	Very low	30.3	Very low	169 Å²	169	138.1 Å²	138.1	79%	0.79	78%	0.777	S	S	*	*			trans	40.9	153.6	146.4	-65.3	156	-157.5	0	0	122.4
405	E	35.6	Very low	30.1	Very low	159 Å²	159	136.4 Å²	136.4	74%	0.743	77%	0.77	S	S	*	*			cis	-169.4	170.6	-14.7	-119.8	-167.6	-131.8	0	0	107.4
406	N	33.6	Very low	30	Very low	120 Å²	120	137.3 Å²	137.3	64%	0.642	77%	0.77	S	S	*	*			cis	-143.9	-126.9	-13.3	-155.7	-33	0	0	0	106.3
407	Q	31.2	Very low	29.9	Very low	142 Å²	142	141.5 Å²	141.5	66%	0.664	77%	0.773	S	S	*	*			cis	-162.4	157.1	-22.4	-130	-179.9	-28.8	0	0	104.4
408	E	29.1	Very low	29.7	Very low	161 Å²	161	138.8 Å²	138.8	75%	0.752	78%	0.777	S	S	*	*			cis	-140.9	-109	-2	-167.3	139.7	-105.9	0	0	112.2
409	E	28.9	Very low	29.1	Very low	178 Å²	178	132.4 Å²	132.4	83%	0.832	78%	0.775	S	S	*	*			trans	-161.9	162.4	-154.2	-142.5	-157.1	153.6	0	0	117
410	A	29.5	Very low	28.8	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	79%	0.787	S	S	*	*			trans	32.8	152.5	154.5	0	0	0	0	0	123.6
411	G	25.3	Very low	28.3	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	78%	0.784	S	S	*	*			cis	148.8	162.8	-4.6	0	0	0	0	0	113.7
412	R	27.8	Very low	28.3	Very low	251 Å²	251	138.3 Å²	138.3	95%	0.947	78%	0.781	S	S	*	*			trans	69.3	159.9	168.8	-69.3	-179	177.6	-167.3	-0.3	118
413	S	24.8	Very low	28	Very low	92 Å²	92	139.2 Å²	139.2	64%	0.643	78%	0.775	S	S	*	*			cis	-174.3	169.5	-18.9	56.9	0	0	0	0	111.6
414	R	25.8	Very low	27.5	Very low	248 Å²	248	141.8 Å²	141.8	94%	0.936	78%	0.778	S	S	*	*			trans	71.5	159.2	168.8	-67.5	178.1	166.9	-176	-5.3	115.7
415	G	23.8	Very low	27	Very low	72 Å²	72	139.7 Å²	139.7	74%	0.742	78%	0.783	S	S	*	*			cis	154.3	146	-6.7	0	0	0	0	0	112.2
416	S	26.3	Very low	26.5	Very low	127 Å²	127	135.4 Å²	135.4	89%	0.888	78%	0.782	S	S	*	*			trans	-69.7	151.6	-169	-35.1	0	0	0	0	115.8
417	D	25	Very low	26.2	Very low	169 Å²	169	138.9 Å²	138.9	90%	0.904	79%	0.794	S	S	*	*			trans	-152.3	171.9	135.3	-149.7	-11.1	0	0	0	111.2
418	A	26.6	Very low	25.9	Very low	95 Å²	95	141.6 Å²	141.6	79%	0.785	80%	0.803	S	S	*	*			trans	-104.8	-179.3	-171.6	0	0	0	0	0	113.7
419	G	23.9	Very low	26.1	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	81%	0.808	S	S	*	*			trans	151.8	95.3	156	0	0	0	0	0	118.9
420	Q	26.9	Very low	26.1	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	80%	0.801	S	S	*	*			trans	39.4	110.7	137.5	-69.9	-176.1	-21.9	0	0	122.1
421	K	24.5	Very low	25.8	Very low	193 Å²	193	141 Å²	141	84%	0.839	80%	0.798	S	S	*	*				61.6	139.6	107.7	-102.6	-168.8	173.5	-173.1	0	122.5
422	V	25.1	Very low	25.8	Very low	116 Å²	116	144.4 Å²	144.4	70%	0.703	81%	0.805	S	S	*	*			trans	88.7	102.7	141.5	171.8	0	0	0	0	118.8
423	S	24.1	Very low	25.8	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	80%	0.802	S	S	*	*			trans	46.7	153.4	137.4	75.4	0	0	0	0	121.1
424	E	24.1	Very low	26	Very low	172 Å²	172	143.6 Å²	143.6	80%	0.804	81%	0.811	S	S	*	*			cis	-168.2	169	20.6	-149.2	174.7	171.3	0	0	111.5
425	S	24.7	Very low	26.2	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	80%	0.804	S	S	*	*			trans	70.3	164.7	157.8	82	0	0	0	0	119.6
426	G	24.9	Very low	26.3	Very low	70 Å²	70	141.6 Å²	141.6	72%	0.722	80%	0.797	S	S	*	*			trans	115.5	51.6	155.7	0	0	0	0	0	120.7
427	Q	27.1	Very low	26.7	Very low	193 Å²	193	142.9 Å²	142.9	90%	0.902	79%	0.787	S	S	*	*			trans	31.5	133.8	147.6	-64.9	175.4	-43.8	0	0	122.9
428	K	25.8	Very low	26.8	Very low	199 Å²	199	143.2 Å²	143.2	87%	0.865	78%	0.78	S	S	*	*			trans	-47.5	148.4	160.6	-85.4	-178.8	176.4	177.5	0	113.3
429	P	34.2	Very low	26.9	Very low	129 Å²	129	144.6 Å²	144.6	84%	0.838	77%	0.774	S	S	*	*				-139.4	-169.4	83.2	40.1	-25	0	0	0	115.8
430	K	26.9	Very low	27.2	Very low	160 Å²	160	146.8 Å²	146.8	70%	0.696	77%	0.773	S	S	*	*			trans	-96.8	178.5	-175.4	-62.8	171	74.1	-100.7	0	112.4
431	D	24.8	Very low	27.2	Very low	128 Å²	128	145.6 Å²	145.6	68%	0.684	77%	0.765	S	S	*	*			trans	86.3	116.4	147.1	-57.4	-39	0	0	0	117.9
432	T	25.5	Very low	27.4	Very low	138 Å²	138	143 Å²	143	85%	0.847	76%	0.756	S	S	*	*			trans	-114.9	103.8	163.2	-53.6	0	0	0	0	107.7
433	Q	26.3	Very low	27.4	Very low	190 Å²	190	145.4 Å²	145.4	89%	0.888	76%	0.764	S	S	*	*			trans	-99.7	153.7	158.4	-82.5	-171.4	-26.8	0	0	109.3
434	V	29.6	Very low	27.5	Very low	137 Å²	137	144.2 Å²	144.2	83%	0.83	77%	0.768	S	S	*	*			trans	-107.1	140.6	168.2	-178.3	0	0	0	0	107.6
435	E	29.4	Very low	27.5	Very low	165 Å²	165	139.7 Å²	139.7	77%	0.771	77%	0.768	S	S	*	*			trans	-69.1	167.6	178.3	-55.7	-177.7	112.1	0	0	110.9
436	D	27	Very low	27.5	Very low	113 Å²	113	142.2 Å²	142.2	60%	0.604	77%	0.771	S	S	*	*			cis	-151.1	-177.5	20.2	-154.4	7.1	0	0	0	115
437	K	33.9	Very low	27.5	Very low	154 Å²	154	142.3 Å²	142.3	67%	0.67	77%	0.773	S	S	*	*			trans	-43.3	163.1	178.1	-52.1	139.9	-167	89.4	0	114.1
438	K	27.5	Very low	27.5	Very low	175 Å²	175	139.1 Å²	139.1	76%	0.761	77%	0.766	S	S	*	*			cis	-172.9	140.4	41.7	-166	168.5	174.2	-178.1	0	116.6
439	D	28.1	Very low	27.6	Very low	124 Å²	124	138 Å²	138	66%	0.663	76%	0.764	S	S	*	*			trans	47.9	113.9	149.3	-57.7	-15.6	0	0	0	126.4
440	V	30.2	Very low	27.2	Very low	119 Å²	119	141 Å²	141	72%	0.721	77%	0.767	S	S	*	*				86.9	130.5	114.6	173.8	0	0	0	0	123.3
441	K	28.6	Very low	27.3	Very low	160 Å²	160	137.3 Å²	137.3	70%	0.696	77%	0.766	S	S	*	*			trans	71.5	151.1	158.5	-87.1	178.8	177.9	-74.5	0	118.7
442	E	28	Very low	27.3	Very low	138 Å²	138	140.9 Å²	140.9	65%	0.645	78%	0.779	S	S	*	*			cis	-165.7	155.3	-14.9	-159.5	149	-124.6	0	0	110.2
443	D	25.2	Very low	27.2	Very low	166 Å²	166	138.3 Å²	138.3	89%	0.888	78%	0.78	S	S	*	*			trans	54.9	166.3	172.8	-83.6	-15.4	0	0	0	117.8
444	G	25.1	Very low	27.2	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	78%	0.775	S	S	*	*			cis	155	138.1	-10.8	0	0	0	0	0	112.7
445	G	25.3	Very low	27	Very low	78 Å²	78	130.5 Å²	130.5	80%	0.804	77%	0.769	S	S	*	*			trans	96.5	96.7	161.2	0	0	0	0	0	119.6
446	N	25	Very low	26.9	Very low	177 Å²	177	129.9 Å²	129.9	95%	0.947	77%	0.772	S	S	*	*				17.5	126	125	-162.1	66.5	0	0	0	120.3
447	G	24.2	Very low	27	Very low	73 Å²	73	130.5 Å²	130.5	75%	0.753	78%	0.784	S	S	*	*			trans	177.2	140.7	165.7	0	0	0	0	0	115
448	T	26.1	Very low	26.7	Very low	126 Å²	126	129 Å²	129	77%	0.773	79%	0.794	S	S	*	*			trans	-109.2	153.6	-171.6	37.2	0	0	0	0	115.4
449	E	28.3	Very low	26.8	Very low	176 Å²	176	125.4 Å²	125.4	82%	0.822	80%	0.797	S	S	*	*			trans	81	155.9	144.1	-78.9	165.7	-166.6	0	0	123
450	E	25.9	Very low	27	Very low	190 Å²	190	125.3 Å²	125.3	89%	0.888	80%	0.802	S	S	*	*			trans	64	154.6	175.1	-60.2	-158.9	142.5	0	0	120.7
451	A	30.2	Very low	26.9	Very low	83 Å²	83	124.8 Å²	124.8	69%	0.686	80%	0.804	S	S	*	*				-176.3	141	-51.1	0	0	0	0	0	110.3
452	Q	25	Very low	27	Very low	204 Å²	204	125.8 Å²	125.8	95%	0.953	81%	0.811	S	S	*	*			trans	152	141.5	138.9	-86.4	-176.7	18.9	0	0	113.8
453	G	23	Very low	27	Very low	84 Å²	84	126 Å²	126	87%	0.866	82%	0.817	S	S	*	*			trans	113.9	114.6	148.3	0	0	0	0	0	118.1
454	G	24.6	Very low	27.3	Very low	76 Å²	76	122.8 Å²	122.8	78%	0.784	81%	0.807	S	S	*	*			trans	115.3	72.4	145.6	0	0	0	0	0	119.8
455	A	27.1	Very low	27.6	Very low	86 Å²	86	126 Å²	126	71%	0.711	81%	0.807	S	S	*	*				43.8	122	122.9	0	0	0	0	0	122.4
456	N	26.6	Very low	27.7	Very low	153 Å²	153	129.4 Å²	129.4	82%	0.818	81%	0.807	S	S	*	*			trans	96.3	145.1	134.1	-59.2	-9.7	0	0	0	122.3
457	S	29.9	Very low	28.2	Very low	125 Å²	125	128.2 Å²	128.2	87%	0.874	80%	0.8	S	S	*	*			trans	71.7	126.3	165.4	68.5	0	0	0	0	118.4
458	S	26.7	Very low	28.2	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	80%	0.802	S	S	*	*			trans	-149.5	118.2	178.6	56.6	0	0	0	0	110.2
459	A	29	Very low	28.4	Very low	99 Å²	99	134 Å²	134	82%	0.818	80%	0.801	S	S	*	*			trans	-151.4	131.3	168.6	0	0	0	0	0	108.8
460	P	32.9	Very low	28.4	Very low	121 Å²	121	131.8 Å²	131.8	79%	0.786	80%	0.795	S	S	*	*			trans	-89.6	145.6	-175.5	34.5	-34	0	0	0	112.7
461	S	28.9	Very low	28.7	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	79%	0.79	S	S	*	*			trans	-82.7	126.3	163.7	49.6	0	0	0	0	110.4	D463	S461-D463 PolarHBondContact O-N 3.33Å
462	H	29.8	Very low	28.6	Very low	180 Å²	180	130.5 Å²	130.5	83%	0.833	79%	0.789	S	S	*	*			trans	-76	115.9	170.5	-97.5	-105	0	0	0	110.7	S464	H462-S464 PolarHBondContact O-N 3.01Å
463	D	28.6	Very low	28.8	Very low	143 Å²	143	125.6 Å²	125.6	77%	0.765	78%	0.777	S	S	*	*			trans	-83.3	95.4	165.9	-85.7	-36.9	0	0	0	110.4	S461 N465	S461-D463 PolarHBondContact O-N 3.33Å; D463-N465 PolarHBondContact O-N 2.8Å
464	S	31.6	Very low	29	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	78%	0.777	S	S	*	*			trans	-82.6	85.2	177.3	58.6	0	0	0	0	111.9	H462 N466	H462-S464 PolarHBondContact O-N 3.01Å; S464-N466 VanDerWaalsContact C-N 3.28Å; S464-N466 PolarHBondContact O-N 3.37Å
465	N	30.8	Very low	29.3	Very low	141 Å²	141	130.8 Å²	130.8	75%	0.754	78%	0.776	S	S	*	*			trans	-75.8	74.5	173	-80.6	-63.8	0	0	0	112.2	D463 L467	D463-N465 PolarHBondContact O-N 2.8Å; N465-L467 PolarHBondContact O-N 2.83Å
466	N	28.4	Very low	29.4	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	78%	0.784	S	S	*	*			trans	-75.8	111.6	158.8	-76.6	-35.4	0	0	0	108.5	S464	S464-N466 VanDerWaalsContact C-N 3.28Å; S464-N466 PolarHBondContact O-N 3.37Å
467	L	33.6	Very low	29.5	Very low	152 Å²	152	132.5 Å²	132.5	80%	0.796	78%	0.781	S	S	*	*			trans	-99.1	92	165.8	-70.7	-179.1	0	0	0	109	N465	N465-L467 PolarHBondContact O-N 2.83Å
468	D	25.6	Very low	29.6	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	78%	0.783	S	S	*	*			trans	-63.3	146.4	164.8	-162.2	2.3	0	0	0	109.9
469	F	30	Very low	29.8	Very low	172 Å²	172	135.5 Å²	135.5	75%	0.754	78%	0.781	S	S	*	*			trans	-144.6	61.5	-174	-132.2	-71.3	0	0	0	112.2	L471	F469-L471 HydrophobicContact CD1-CG 4.41Å
470	D	27.7	Very low	29.8	Very low	130 Å²	130	133.8 Å²	133.8	70%	0.695	77%	0.773	S	S	*	*			trans	-65.9	144.6	170.7	-164.6	3.4	0	0	0	111.6
471	L	33.1	Very low	29.7	Very low	149 Å²	149	135.2 Å²	135.2	78%	0.78	78%	0.78	S	S	*	*			trans	-144.7	74.4	179.5	-77.6	-178.5	0	0	0	111.1	F469	F469-L471 HydrophobicContact CD1-CG 4.41Å
472	S	27.4	Very low	29.6	Very low	97 Å²	97	134 Å²	134	68%	0.678	79%	0.785	S	S	*	*			trans	-75.9	121.6	170.2	62.9	0	0	0	0	112.6
473	S	30.2	Very low	29.5	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	79%	0.785	S	S	*	*			trans	25.8	111.1	141.5	175.4	0	0	0	0	119.5
474	D	25.6	Very low	29.8	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	79%	0.787	S	S	*	*			trans	-100.5	138.3	148.6	-79.9	-46.3	0	0	0	110.1
475	S	31.7	Very low	29.4	Very low	108 Å²	108	133 Å²	133	76%	0.755	79%	0.787	S	S	*	*			trans	-149	102.8	174.8	-78.1	0	0	0	0	110.4
476	D	29.3	Very low	29.4	Very low	164 Å²	164	131.6 Å²	131.6	88%	0.877	79%	0.788	S	S	*	*			trans	-89.2	136	-179.1	-86.4	-41.7	0	0	0	113.5
477	S	29.3	Very low	30.1	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	78%	0.784	S	S	*	*			trans	-145.8	156.6	160.5	-70.9	0	0	0	0	105.6
478	E	30.4	Very low	29.6	Very low	194 Å²	194	129.9 Å²	129.9	91%	0.907	79%	0.786	S	S	*	*			cis	-146.2	-147.9	42	-48.4	-159.5	123.7	0	0	114.8
479	S	31.2	Very low	29.5	Very low	118 Å²	118	128.4 Å²	128.4	83%	0.825	79%	0.786	S	S	*	*			trans	-101.7	169.2	-156.2	73.2	0	0	0	0	116.7
480	G	29.6	Very low	29.1	Very low	64 Å²	64	123.2 Å²	123.2	66%	0.66	78%	0.781	S	S	*	*			trans	-151.5	-7.1	-172.4	0	0	0	0	0	122.4
481	T	30.6	Very low	29.1	Very low	151 Å²	151	122.6 Å²	122.6	93%	0.926	79%	0.787	S	S	*	*			trans	62.9	144.2	171	70.2	0	0	0	0	121.3
482	G	26.9	Very low	28.8	Very low	83 Å²	83	124.2 Å²	124.2	86%	0.856	79%	0.79	S	S	*	*			trans	152.8	120.7	163.6	0	0	0	0	0	115.8
483	K	27.6	Very low	28.6	Very low	192 Å²	192	125.6 Å²	125.6	84%	0.835	80%	0.8	S	S	*	*			trans	-126.9	148.9	179.3	-139.5	-172.4	-178	176.9	0	109.7
484	P	34.8	Very low	28.2	Very low	124 Å²	124	131.6 Å²	131.6	81%	0.805	81%	0.807	S	S	*	*				-144	179.9	83.1	37	-19.8	0	0	0	112
485	A	23.8	Very low	28.1	Very low	85 Å²	85	128.3 Å²	128.3	70%	0.702	79%	0.793	S	S	*	*			cis	-180	158.5	-24.6	0	0	0	0	0	105.9
486	S	30.2	Very low	27.7	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	79%	0.79	S	S	*	*			trans	-82.2	-176.6	-176.7	-24	0	0	0	0	112.5
487	P	42.8	Very low	27.6	Very low	109 Å²	109	129.2 Å²	129.2	71%	0.708	78%	0.784	S	S	*	*			cis	-154.3	174.3	42.3	45.5	-23.5	0	0	0	121.2
488	D	24.3	Very low	27.3	Very low	155 Å²	155	129.8 Å²	129.8	83%	0.829	78%	0.783	S	S	*	*			trans	76.5	131	136.5	-87.4	-43	0	0	0	127.7
489	C	22.1	Very low	27.1	Very low	118 Å²	118	126 Å²	126	80%	0.797	76%	0.763	S	S	*	*				58.8	113	126.9	-153.6	0	0	0	0	123.3
490	G	23.3	Very low	26.7	Very low	63 Å²	63	129 Å²	129	65%	0.649	76%	0.764	S	S	*	*				88.7	115.3	104	0	0	0	0	0	121.8
491	S	27.2	Very low	26.5	Very low	117 Å²	117	130 Å²	130	82%	0.818	76%	0.762	S	S	*	*			trans	58.8	114.4	141.1	-61.8	0	0	0	0	122.6
492	Q	26.7	Very low	26.3	Very low	182 Å²	182	130 Å²	130	85%	0.85	75%	0.751	S	S	*	*			trans	40.8	112.9	139.5	-56.6	-174.4	12.7	0	0	120.5
493	S	22	Very low	26.2	Very low	126 Å²	126	133 Å²	133	88%	0.881	74%	0.743	S	S	*	*				-172	159.4	120.4	-90.5	0	0	0	0	116.3
494	R	23.4	Very low	26.1	Very low	226 Å²	226	132.3 Å²	132.3	85%	0.853	74%	0.742	S	S	*	*			trans	-64.3	165.5	171.6	-66.2	160.2	61.9	155.7	1	111.6
495	T	22.2	Very low	25.6	Very low	94 Å²	94	130.1 Å²	130.1	58%	0.577	74%	0.742	S	S	*	*			cis	-164.5	172.7	4.5	2.6	0	0	0	0	109.3
496	H	24.1	Very low	25.6	Very low	148 Å²	148	134.3 Å²	134.3	69%	0.685	75%	0.753	S	S	*	*				156	126.4	115.5	-87.5	-74.3	0	0	0	116.3
497	L	26.4	Very low	25.3	Very low	143 Å²	143	131.7 Å²	131.7	75%	0.749	74%	0.744	S	S	*	*			trans	62.4	159.6	135.9	-54.8	173.9	0	0	0	119.3
498	T	23.7	Very low	24.5	Very low	122 Å²	122	135.8 Å²	135.8	75%	0.748	75%	0.753	S	S	*	*			cis	-170.6	160.2	-13.8	25.8	0	0	0	0	106.5
499	K	26.9	Very low	24.6	Very low	114 Å²	114	136.8 Å²	136.8	50%	0.496	75%	0.753	S	S	.	*			cis	-167.4	135.4	-20.9	158.9	-100.9	171.8	-172.6	0	103.9	E502	K499-E502 IonicContact NZ-OE1 3.49Å; K499-E502 PolarHBondContact NZ-OE1 2.86Å
500	E	21.1	Very low	25.8	Very low	181 Å²	181	136.2 Å²	136.2	85%	0.846	75%	0.748	S	S	*	*			trans	-146.8	157.5	137.6	-123.8	156	-155.9	0	0	114.5
501	S	26.6	Very low	25.8	Very low	86 Å²	86	137.6 Å²	137.6	60%	0.601	75%	0.747	S	S	*	*			trans	-150.6	-175.3	-169	-49.1	0	0	0	0	104.5
502	E	26.3	Very low	25.7	Very low	149 Å²	149	139.2 Å²	139.2	70%	0.696	75%	0.747	S	S	*	*			cis	-144.6	-174.8	36.1	-69.9	155.1	-170.5	0	0	107.2	K499	K499-E502 IonicContact NZ-OE1 3.49Å; K499-E502 PolarHBondContact NZ-OE1 2.86Å
503	Q	25.4	Very low	25.6	Very low	148 Å²	148	139.6 Å²	139.6	69%	0.692	75%	0.749	S	S	*	*			cis	-164.4	143	23.3	-167.1	170.9	-12.4	0	0	111.4
504	E	25.2	Very low	25.6	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.822	74%	0.74	S	S	*	*			trans	34.8	143.8	153.9	-60	168.8	135.7	0	0	122
505	G	23.8	Very low	25.7	Very low	78 Å²	78	135.4 Å²	135.4	80%	0.804	73%	0.73	S	S	*	*			cis	122.6	147.6	6.6	0	0	0	0	0	112
506	D	24.7	Very low	25.9	Very low	173 Å²	173	136.3 Å²	136.3	93%	0.925	74%	0.736	S	S	*	*			cis	-168.4	165.8	-9.5	176.4	39.6	0	0	0	109.5
507	G	24.2	Very low	26.3	Very low	58 Å²	58	136.7 Å²	136.7	60%	0.598	74%	0.736	S	S	*	*			trans	148.7	106	159.1	0	0	0	0	0	122.3
508	H	24.7	Very low	26.4	Very low	194 Å²	194	136.2 Å²	136.2	90%	0.898	73%	0.734	S	S	*	*			trans	62.9	149.1	137	-88.2	67.7	0	0	0	125.8
509	E	26	Very low	26.6	Very low	177 Å²	177	134.2 Å²	134.2	83%	0.827	74%	0.738	S	S	*	*			trans	-95.5	-168.7	166	-43.3	177.9	92.2	0	0	111.2
510	P	48.1	Very low	26.7	Very low	106 Å²	106	136.1 Å²	136.1	69%	0.688	75%	0.753	S	S	*	*			cis	-139.9	-174.5	-6.1	38.9	-17.6	0	0	0	117.1
511	S	23.4	Very low	27.2	Very low	91 Å²	91	131 Å²	131	64%	0.636	74%	0.737	S	S	*	*			trans	64	123.3	146.5	62.5	0	0	0	0	124.3
512	D	24	Very low	27.5	Very low	151 Å²	151	136.7 Å²	136.7	81%	0.807	75%	0.751	S	S	*	*				68.2	130.3	129.6	-51.2	-24.4	0	0	0	125.9
513	E	25.4	Very low	27.4	Very low	190 Å²	190	133 Å²	133	89%	0.888	75%	0.753	S	S	*	*			trans	64.1	108.6	139.7	-72.3	-167.9	168.1	0	0	125
514	D	22.8	Very low	27.6	Very low	131 Å²	131	131.8 Å²	131.8	70%	0.701	76%	0.761	S	S	*	*				116.6	145	111.2	-156	38.6	0	0	0	123.8
515	M	25.4	Very low	27.7	Very low	133 Å²	133	127.3 Å²	127.3	66%	0.655	75%	0.749	S	S	*	*			trans	39.2	119.8	162.6	-78.9	-45.5	109.8	0	0	125.3
516	T	26.1	Very low	27.8	Very low	113 Å²	113	131.1 Å²	131.1	69%	0.693	75%	0.745	S	S	*	*				76.8	159.6	128.7	68.8	0	0	0	0	121.5
517	K	33.2	Very low	28.2	Very low	157 Å²	157	128.2 Å²	128.2	68%	0.683	73%	0.733	S	S	*	*			cis	-161.3	167.7	0.4	-130.5	166.9	159.1	-74.4	0	115.6
518	D	28.5	Very low	28.6	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	74%	0.74	S	S	*	*			trans	73.2	122.1	142.2	-71.1	-27	0	0	0	125.7
519	G	27.1	Very low	28.6	Very low	80 Å²	80	129.8 Å²	129.8	83%	0.825	73%	0.73	S	S	*	*				123.5	142.6	129	0	0	0	0	0	118.4
520	D	28.9	Very low	28.8	Very low	154 Å²	154	126 Å²	126	82%	0.824	72%	0.723	S	S	*	*			cis	-166.8	153.4	-18.1	-165.9	-9.3	0	0	0	111.5
521	S	32.5	Very low	27.7	Very low	74 Å²	74	125.9 Å²	125.9	52%	0.517	73%	0.725	S	S	.	*			trans	82.9	110.5	143.8	-85	0	0	0	0	126
522	K	30.9	Very low	27.9	Very low	205 Å²	205	128.5 Å²	128.5	89%	0.891	73%	0.732	S	S	*	*				75.5	140.5	129.2	-65.5	168.8	-178.6	164.9	0	121.6
523	G	25.8	Very low	28.1	Very low	71 Å²	71	126.5 Å²	126.5	73%	0.732	73%	0.729	S	S	*	*			cis	159.6	166.6	-10.5	0	0	0	0	0	116.1
524	S	29.2	Very low	28.6	Very low	123 Å²	123	122 Å²	122	86%	0.86	73%	0.725	S	S	*	*			trans	68.2	149	171.5	-88.9	0	0	0	0	118.8
525	C	27.5	Very low	28.7	Very low	83 Å²	83	125.2 Å²	125.2	56%	0.561	74%	0.736	S	S	*	*			cis	-170.7	170.2	-20.2	49.8	0	0	0	0	107.5
526	E	25.9	Very low	29.1	Very low	157 Å²	157	127.8 Å²	127.8	73%	0.734	75%	0.746	S	S	*	*			cis	-86.6	174.7	1.9	-84.7	56.5	-102.5	0	0	113.1
527	V	32	Very low	29.6	Very low	112 Å²	112	128.5 Å²	128.5	68%	0.679	75%	0.752	S	S	*	*			cis	86.2	136.4	16.6	172	0	0	0	0	113.9
528	E	33.9	Very low	29	Very low	156 Å²	156	124.4 Å²	124.4	73%	0.729	76%	0.755	S	S	*	*			cis	-170.9	168.6	-16.5	-104.9	-164.9	-96.1	0	0	106.8
529	N	25	Very low	28.8	Very low	129 Å²	129	124.7 Å²	124.7	69%	0.69	76%	0.761	S	S	*	*			cis	-169.1	169.8	-22.8	-125.7	-21	0	0	0	106.6
530	S	28.6	Very low	28.6	Very low	97 Å²	97	127.5 Å²	127.5	68%	0.678	76%	0.762	S	S	*	*			cis	-133.3	-100.3	-11	12.5	0	0	0	0	109.1
531	S	26.7	Very low	28.7	Very low	105 Å²	105	127 Å²	127	73%	0.734	76%	0.759	S	S	*	*			cis	-175.4	162	-24	40.4	0	0	0	0	109.2
532	D	26.8	Very low	28.6	Very low	146 Å²	146	129.6 Å²	129.6	78%	0.781	77%	0.773	S	S	*	*			cis	-177.9	167.7	-42.5	-179	49.8	0	0	0	109.7
533	S	28.3	Very low	28.3	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	77%	0.766	S	S	*	*			trans	76.9	170.7	161.5	-74.7	0	0	0	0	120
534	A	35	Very low	29.2	Very low	97 Å²	97	127.5 Å²	127.5	80%	0.802	76%	0.76	S	S	*	*			trans	-144.4	-172.4	-159.1	0	0	0	0	0	115.5
535	E	26.6	Very low	29.1	Very low	198 Å²	198	129.2 Å²	129.2	93%	0.925	76%	0.755	S	S	*	*			trans	90.3	153	177.5	-56.1	-162.2	137.7	0	0	119.4
536	H	32.3	Very low	29.2	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.866	77%	0.767	S	S	*	*			trans	-70.8	170.5	168.3	-74	-76.1	0	0	0	111
537	P	37.5	Very low	29.1	Very low	128 Å²	128	128.4 Å²	128.4	83%	0.831	76%	0.764	S	S	*	*			cis	-145.5	-152.8	22.1	44.3	-22.8	0	0	0	114.3
538	G	21.2	Very low	29	Very low	71 Å²	71	131.5 Å²	131.5	73%	0.732	78%	0.777	S	S	*	*			trans	128.9	88.3	133.1	0	0	0	0	0	120.6
539	V	23.2	Very low	28.7	Very low	138 Å²	138	127.5 Å²	127.5	84%	0.836	78%	0.778	S	S	*	*			trans	-38	148	154.6	173.4	0	0	0	0	115.8
540	V	22.8	Very low	28.8	Very low	138 Å²	138	127.8 Å²	127.8	84%	0.836	79%	0.788	S	S	*	*			trans	-176.9	140.6	130.4	143.6	0	0	0	0	113
541	L	30.6	Very low	28.9	Very low	145 Å²	145	130.9 Å²	130.9	76%	0.759	80%	0.796	S	S	*	*			trans	-90.1	175.8	174.8	-64.7	164.7	0	0	0	111.7
542	P	32.1	Very low	29	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	80%	0.797	S	S	*	*				-146.6	128.1	92.7	35.9	-18.4	0	0	0	116.5
543	D	23.7	Very low	29.1	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	80%	0.795	S	S	*	*				-4.3	162.3	123.1	-128.9	26.8	0	0	0	118.4
544	P	43.8	Very low	29	Very low	94 Å²	94	142.4 Å²	142.4	61%	0.61	80%	0.803	S	S	*	*			cis	-151.6	-170	17.9	47.4	-27.2	0	0	0	119.4
545	E	27.9	Very low	28.8	Very low	159 Å²	159	146.3 Å²	146.3	74%	0.743	81%	0.805	S	S	*	*			trans	97.5	109.1	142	-81.9	-174	-170	0	0	123.3
546	L	29.2	Very low	29.9	Very low	158 Å²	158	142.6 Å²	142.6	83%	0.827	80%	0.798	S	S	*	*			trans	82.7	118.7	131.4	-60.9	169	0	0	0	123.1
547	G	25	Very low	29.7	Very low	64 Å²	64	143.1 Å²	143.1	66%	0.66	80%	0.801	S	S	*	*				135.8	96.7	103.9	0	0	0	0	0	120.7
548	N	28.2	Very low	29.3	Very low	177 Å²	177	143.8 Å²	143.8	95%	0.947	80%	0.802	S	S	*	*			trans	64.3	148.8	158.2	-54.7	-11.5	0	0	0	118.9
549	G	29.1	Very low	29.7	Very low	73 Å²	73	149.2 Å²	149.2	75%	0.753	81%	0.809	S	S	*	*			cis	153.3	147.8	-12.4	0	0	0	0	0	115.5
550	C	27.3	Very low	30.1	Very low	134 Å²	134	148 Å²	148	91%	0.905	81%	0.807	S	S	*	*			trans	94.7	156	171	-141.7	0	0	0	0	118.3
551	L	29.7	Very low	30.4	Very low	163 Å²	163	149.6 Å²	149.6	85%	0.853	81%	0.805	S	S	*	*			trans	-146.2	160.1	-157.7	-67.2	163.3	0	0	0	110.8
552	E	28.5	Very low	30.2	Very low	158 Å²	158	149.9 Å²	149.9	74%	0.738	81%	0.807	S	S	*	*			trans	175.9	149.4	144.2	-99	-160.8	145.2	0	0	109.3
553	R	28.5	Very low	30.2	Very low	198 Å²	198	148 Å²	148	75%	0.747	80%	0.797	S	S	*	*			cis	-172.9	131.2	-20.7	-142.3	-178.1	-172.6	149.6	-7.2	110.2
554	R	26.8	Very low	30.7	Very low	245 Å²	245	147.1 Å²	147.1	93%	0.925	79%	0.788	S	S	*	*			trans	175.1	165	135.2	-101.4	177.3	177	-165.8	-3.1	112.3
555	E	31.1	Very low	30.2	Very low	178 Å²	178	151.1 Å²	151.1	83%	0.832	80%	0.799	S	S	*	*			trans	-116.2	160.8	-158.4	-72.9	159	121.2	0	0	112.8
556	P	50.2	Low	30.9	Very low	120 Å²	120	147.9 Å²	147.9	78%	0.779	79%	0.794	S	S	*	*			trans	-100.6	163.3	-173.4	39.4	-34.6	0	0	0	113.5
557	E	27.4	Very low	31	Very low	199 Å²	199	143.1 Å²	143.1	93%	0.93	78%	0.783	S	S	*	*			trans	-132.2	158.5	161.5	-70.9	-164.5	142.1	0	0	112
558	T	29.1	Very low	31.6	Very low	141 Å²	141	144.8 Å²	144.8	87%	0.865	78%	0.78	S	S	*	*			trans	-89	160.3	-153.5	47.8	0	0	0	0	116.1
559	E	29.1	Very low	32	Very low	185 Å²	185	142 Å²	142	86%	0.864	77%	0.77	S	S	*	*			trans	-58.4	146.2	167	-54.9	172	102.7	0	0	113.4
560	S	31.1	Very low	32.6	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	76%	0.762	S	S	*	*			trans	-170.5	114.5	135.4	-83.4	0	0	0	0	112.8
561	Q	30.9	Very low	33	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	76%	0.756	S	S	*	*			trans	13.6	124.6	138.8	-60.1	178.7	-5.5	0	0	116.8
562	N	25.6	Very low	33.8	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	75%	0.747	S	S	*	*				-173.4	174.2	60.5	-105.2	-38.8	0	0	0	113.9
563	S	32.2	Very low	34.7	Very low	88 Å²	88	140.8 Å²	140.8	62%	0.615	75%	0.754	S	S	*	*			trans	83.6	80.3	155.2	-139.7	0	0	0	0	119.7
564	E	34.9	Very low	35.4	Very low	120 Å²	120	139.4 Å²	139.4	56%	0.561	76%	0.76	S	S	*	*				66.6	85.1	110.2	-66.2	171.1	-93.7	0	0	121.5	R215	R215-E564 VanDerWaalsContact CD-OE2 3.25Å; R215-E564 WeakPolarHBondContact CD-OE2 3.41Å; R215-E564 VanDerWaalsContact CZ-CB 3.43Å; R215-E564 IonicContact NE-OE2 3.18Å; R215-E564 PolarHBondContact NE-OE2 2.99Å; R215-E564 PolarHBondContact NH2-O 3.35Å
565	Q	32.5	Very low	35.8	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	76%	0.76	S	S	*	*			trans	-114.5	150	152.6	-156.1	66.6	-21.7	0	0	111.3	R215 G567	R215-Q565 VanDerWaalsContact NH1-C 3.33Å; R215-Q565 PolarHBondContact NH1-O 3.37Å; R215-Q565 VanDerWaalsContact NH2-C 3.33Å; Q565-G567 PolarHBondContact O-N 3.47Å
566	S	41.9	Very low	36	Very low	92 Å²	92	133.6 Å²	133.6	64%	0.643	75%	0.752	S	S	*	*			trans	-79.6	113.3	-172.8	-164.7	0	0	0	0	111
567	G	32.1	Very low	35.4	Very low	58 Å²	58	137 Å²	137	60%	0.598	76%	0.758	S	S	*	*			trans	-116.4	113.5	-176.3	0	0	0	0	0	112.3	Q565 T569	Q565-G567 PolarHBondContact O-N 3.47Å; G567-T569 PolarHBondContact O-N 2.94Å
568	V	37.9	Very low	35.8	Very low	99 Å²	99	133 Å²	133	60%	0.6	75%	0.752	S	S	*	*			trans	-81.3	88.1	165.2	179.4	0	0	0	0	108	V570	V568-V570 HydrophobicContact CG1-CG2 4.47Å; V568-V570 PolarHBondContact O-N 3.24Å
569	T	35.9	Very low	36.1	Very low	119 Å²	119	133 Å²	133	73%	0.73	74%	0.744	S	S	*	*			trans	-78.4	102.9	173	52.3	0	0	0	0	109.8	G567 G571	G567-T569 PolarHBondContact O-N 2.94Å; T569-G571 VanDerWaalsContact C-N 3.33Å; T569-G571 PolarHBondContact O-N 2.5Å
570	V	42.7	Very low	36.5	Very low	97 Å²	97	132.9 Å²	132.9	59%	0.588	74%	0.743	S	S	*	*			trans	-73.3	91.6	168.6	-179.5	0	0	0	0	108	V568 E572	V568-V570 HydrophobicContact CG1-CG2 4.47Å; V568-V570 PolarHBondContact O-N 3.24Å; V570-E572 PolarHBondContact O-N 3.31Å
571	G	35.1	Very low	36.9	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	75%	0.75	S	S	*	*			trans	-85.8	74.4	-177.7	0	0	0	0	0	113.1	T569	T569-G571 VanDerWaalsContact C-N 3.33Å; T569-G571 PolarHBondContact O-N 2.5Å
572	E	45.4	Very low	37.5	Very low	142 Å²	142	136.3 Å²	136.3	66%	0.664	75%	0.752	S	S	*	*			trans	-95.6	140.6	148.2	-66.8	-172.1	131.7	0	0	107.3	V570	V570-E572 PolarHBondContact O-N 3.31Å
573	E	47.8	Very low	38.2	Very low	187 Å²	187	138.3 Å²	138.3	87%	0.874	76%	0.757	S	S	*	*	S	Bend	trans	64.3	83	179.8	-55.8	-177.5	-167.3	0	0	117.6
574	L	43.7	Very low	38.8	Very low	169 Å²	169	141.6 Å²	141.6	89%	0.885	76%	0.763	S	S	*	*			trans	-177.5	85.1	132.5	-102.2	165.8	0	0	0	112.8
575	L	35.7	Very low	39.3	Very low	177 Å²	177	144.6 Å²	144.6	93%	0.927	78%	0.776	S	S	*	*			trans	-140.4	89.6	160	-78.2	-179.2	0	0	0	108.8
576	D	35.6	Very low	40	Very low	124 Å²	124	143.9 Å²	143.9	66%	0.663	77%	0.773	S	S	*	*			trans	-151.9	98	170.5	-174.9	7.6	0	0	0	110.4
577	Q	36.3	Very low	40.5	Very low	190 Å²	190	146 Å²	146	89%	0.888	77%	0.773	S	S	*	*	S	Bend	trans	172.1	64.1	152.2	-97.4	156	100.6	0	0	112.7
578	S	36.3	Very low	41.5	Very low	117 Å²	117	148.3 Å²	148.3	82%	0.818	78%	0.776	S	S	*	*			trans	-165.9	63.8	153.1	64.4	0	0	0	0	112
579	M	35	Very low	42.7	Very low	139 Å²	139	146.4 Å²	146.4	69%	0.685	76%	0.762	S	S	*	*			trans	-101.1	107.7	166.7	-74.4	-175.8	167.9	0	0	109.7	E584	M579-E584 HydrophobicContact CE-CG 4.33Å
580	E	37.2	Very low	44	Very low	184 Å²	184	146.4 Å²	146.4	86%	0.86	76%	0.757	S	S	*	*			trans	-78.7	150.9	143	-62.5	-173.5	145.7	0	0	107	E582	E580-E582 VanDerWaalsContact C-N 3.33Å; E580-E582 PolarHBondContact O-N 3.14Å
581	D	40.9	Very low	45.8	Very low	175 Å²	175	143.5 Å²	143.5	94%	0.936	74%	0.739	S	S	*	*	S	Bend	trans	-70.6	75.5	-170.1	-60	-78.6	0	0	0	113.9
582	E	43.2	Very low	48.1	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	73%	0.729	S	S	*	*			trans	-94.4	130.3	153.5	-65.1	-152.2	159.1	0	0	109.6	E580 E584	E580-E582 VanDerWaalsContact C-N 3.33Å; E580-E582 PolarHBondContact O-N 3.14Å; E582-E584 PolarHBondContact O-N 3.42Å
583	E	40.6	Very low	50.3	Low	193 Å²	193	139.7 Å²	139.7	90%	0.902	70%	0.701	S	S	*	*			trans	-69.2	98.6	-180	-63.3	179.4	142.2	0	0	109.2	E585	E583-E585 PolarHBondContact O-N 3.42Å
584	E	43.2	Very low	52.4	Low	157 Å²	157	131.8 Å²	131.8	73%	0.734	67%	0.665	S	S	*	*			trans	-58.8	100.9	170.7	-74.2	-166.2	154.2	0	0	109.5	M579 E582 E586	M579-E584 HydrophobicContact CE-CG 4.33Å; E582-E584 PolarHBondContact O-N 3.42Å; E584-E586 PolarHBondContact O-N 3.33Å
585	E	46	Very low	54.8	Low	182 Å²	182	124 Å²	124	85%	0.85	62%	0.624	S	S	*	*			trans	-57.8	109.3	160.5	-70.1	-167.3	160.6	0	0	107	E583 E587	E583-E585 PolarHBondContact O-N 3.42Å; E585-E587 VanDerWaalsContact C-N 3.3Å; E585-E587 PolarHBondContact O-N 3.15Å
586	E	47.3	Very low	57.6	Low	164 Å²	164	115.6 Å²	115.6	77%	0.766	58%	0.58	S	S	*	*			trans	-58.2	95.9	169.8	-74.4	-165.6	128.9	0	0	108.1	E584 T588	E584-E586 PolarHBondContact O-N 3.33Å; E586-T588 PolarHBondContact O-N 2.79Å
587	E	52	Low	60.4	Low	136 Å²	136	111.7 Å²	111.7	64%	0.636	56%	0.559	S	S	*	*			trans	-63.2	83.2	165.3	-91.4	-144.3	162.1	0	0	107.2	E585 D589	E585-E587 VanDerWaalsContact C-N 3.3Å; E585-E587 PolarHBondContact O-N 3.15Å; E587-D589 PolarHBondContact O-N 3.38Å; E587-D589 VanDerWaalsContact O-N 3.07Å
588	T	53.4	Low	63.1	Low	107 Å²	107	103.3 Å²	103.3	66%	0.656	52%	0.519	S	S	*	.			trans	-51.8	118.3	178.2	56.5	0	0	0	0	108.2	E586 N590	E586-T588 PolarHBondContact O-N 2.79Å; T588-N590 WeakPolarHBondContact O-CA 3.36Å; T588-N590 WeakPolarHBondContact O-CB 3.37Å; T588-N590 PolarHBondContact O-N 3.3Å
589	D	63.4	Low	66	Low	59 Å²	59	97.9 Å²	97.9	32%	0.316	48%	0.481	S	S	.	.			trans	-56.1	101.2	-167.9	-173.3	37.4	0	0	0	111.2	N205 R223 Y321 E587 D591	N205-D589 PolarHBondContact ND2-OD1 3.13Å; R223-D589 IonicContact CZ-OD2 2.95Å; R223-D589 IonicContact NE-OD2 2.61Å; R223-D589 PolarHBondContact NE-OD2 3.31Å; R223-D589 IonicContact NH2-OD2 3.19Å; R223-D589 PolarHBondContact NH2-OD2 3.37Å; Y321-D589 WeakPolarHBondContact CE2-OD1 3.36Å; Y321-D589 PolarHBondContact OH-OD1 3.07Å; E587-D589 PolarHBondContact O-N 3.38Å; E587-D589 VanDerWaalsContact O-N 3.07Å; D589-D591 PolarHBondContact O-N 2.96Å
590	N	62.8	Low	68.9	Low	118 Å²	118	92 Å²	92	63%	0.631	45%	0.452	S	S	*	.			trans	-87.7	34.8	-161.4	-158.2	-4.4	0	0	0	111.4	T588 Q592	T588-N590 WeakPolarHBondContact O-CA 3.36Å; T588-N590 WeakPolarHBondContact O-CB 3.37Å; T588-N590 PolarHBondContact O-N 3.3Å; N590-Q592 PolarHBondContact O-N 3.25Å; N590-Q592 VanDerWaalsContact O-N 3.14Å; N590-Q592 PolarHBondContact OD1-NE2 3.42Å
591	D	80.7	Confident	71.7	Confident	36 Å²	36	84.6 Å²	84.6	19%	0.193	42%	0.417	C	S	.	.			trans	-77.1	97.5	173.7	-166.5	-11.8	0	0	0	109.6	P226 Y319 Y321 D589 D593	P226-D591 WeakPolarHBondContact CD-OD2 3.4Å; P226-D591 HydrophobicContact CG-CB 4.17Å; P226-D591 WeakPolarHBondContact CG-OD2 3.44Å; Y319-D591 WeakPolarHBondContact CE2-OD2 3.48Å; Y319-D591 VanDerWaalsContact CZ-OD2 3.28Å; Y319-D591 PolarHBondContact OH-OD2 2.95Å; Y321-D591 HydrophobicContact CD2-CB 4.22Å; Y321-D591 HydrophobicContact CE2-CB 4.3Å; D589-D591 PolarHBondContact O-N 2.96Å; D591-D593 VanDerWaalsContact C-N 3.3Å; D591-D593 WeakPolarHBondContact OD1-CB 3.31Å; D591-D593 PolarHBondContact OD1-N 3.2Å
592	Q	84	Confident	74.3	Confident	123 Å²	123	76.3 Å²	76.3	58%	0.575	37%	0.373	S	S	*	.			trans	-87.4	7.4	-179.3	-58.4	-176.2	14.3	0	0	112.9	N590 D594 K787	N590-Q592 PolarHBondContact O-N 3.25Å; N590-Q592 VanDerWaalsContact O-N 3.14Å; N590-Q592 PolarHBondContact OD1-NE2 3.42Å; Q592-D594 PolarHBondContact O-N 3.33Å; Q592-K787 PolarHBondContact O-NZ 3.32Å
593	D	90.4	Very high	76.9	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.08	33%	0.332	C	S	.	.			trans	-67.6	115.7	-177.6	-163.3	-92	0	0	0	112.2	R225 P226 K317 Y319 D591 H595	R225-D593 IonicContact CZ-OD1 3.69Å; R225-D593 VanDerWaalsContact CZ-OD1 3.24Å; R225-D593 IonicContact NE-OD1 2.84Å; R225-D593 PolarHBondContact NE-OD1 2.83Å; R225-D593 IonicContact NH2-OD1 3.25Å; R225-D593 PolarHBondContact NH2-OD1 3.47Å; R225-D593 IonicContact NH2-OD2 3.1Å; R225-D593 PolarHBondContact NH2-OD2 3.14Å; P226-D593 WeakPolarHBondContact CB-O 3.44Å; K317-D593 WeakPolarHBondContact CD-OD2 3.48Å; K317-D593 WeakPolarHBondContact CE-OD2 3.43Å; K317-D593 IonicContact NZ-OD2 2.8Å; K317-D593 PolarHBondContact NZ-OD2 3.18Å; Y319-D593 HydrophobicContact CD2-CB 4.34Å; Y319-D593 HydrophobicContact CE2-CB 4.28Å; D591-D593 VanDerWaalsContact C-N 3.3Å; D591-D593 WeakPolarHBondContact OD1-CB 3.31Å; D591-D593 PolarHBondContact OD1-N 3.2Å; D593-H595 WeakPolarHBondContact OD1-CB 3.3Å; D593-H595 PolarHBondContact OD1-N 3.18Å
594	D	92.3	Very high	79.6	Confident	22 Å²	22	62.5 Å²	62.5	12%	0.118	31%	0.308	C	S	.	.			trans	-109.7	18.6	177.9	59.9	-19	0	0	0	112.2	Q592 L596 I597 Y598 R723 K787	Q592-D594 PolarHBondContact O-N 3.33Å; D594-L596 PolarHBondContact O-N 2.61Å; D594-I597 HydrophobicContact CB-CD1 4.01Å; D594-I597 VanDerWaalsContact O-CB 3.32Å; D594-I597 WeakPolarHBondContact O-CB 3.34Å; D594-I597 PolarHBondContact O-N 2.72Å; D594-Y598 HydrophobicContact CB-CE2 4.16Å; D594-Y598 VanDerWaalsContact O-CD2 3.31Å; D594-Y598 WeakPolarHBondContact O-CD2 3.45Å; D594-Y598 WeakPolarHBondContact O-CE2 3.37Å; D594-Y598 VanDerWaalsContact OD2-CE2 3.25Å; D594-Y598 WeakPolarHBondContact OD2-CE2 3.28Å; D594-Y598 PolarHBondContact OD2-OH 2.84Å; D594-R723 IonicContact OD2-NH2 2.7Å; D594-K787 HydrophobicContact CB-CD 4.49Å; D594-K787 VanDerWaalsContact CG-CE 3.45Å; D594-K787 VanDerWaalsContact OD2-CD 3.23Å; D594-K787 WeakPolarHBondContact OD2-CD 3.48Å; D594-K787 WeakPolarHBondContact OD2-CE 3.47Å; D594-K787 WeakPolarHBondContact OD2-CG 3.42Å; D594-K787 IonicContact OD2-NZ 3.7Å
595	H	93.9	Very high	82.2	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.019	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-39.7	-167.4	-175.9	66.1	0	0	0	113.5	R225 K317 D593 I597 Y598 L599	R225-H595 VanDerWaalsContact NH2-CB 3.28Å; K317-H595 HydrophobicContact CB-CB 4.33Å; K317-H595 HydrophobicContact CD-CB 4.1Å; K317-H595 PolarHBondContact N-NE2 2.8Å; D593-H595 WeakPolarHBondContact OD1-CB 3.3Å; D593-H595 PolarHBondContact OD1-N 3.18Å; H595-I597 PolarHBondContact O-N 3.4Å; H595-Y598 PolarHBondContact O-N 2.91Å; H595-L599 PolarHBondContact O-N 2.82Å
596	L	95.3	Very high	84.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-28.8	179.4	-62.3	-173	0	0	0	112.3	L192 R225 C228 F231 D594 Y598 L599 E600	L192-L596 HydrophobicContact CD2-CD1 4.11Å; L192-L596 HydrophobicContact CD2-CD2 3.89Å; R225-L596 HydrophobicContact CB-CD1 4.16Å; R225-L596 HydrophobicContact CG-CD1 4.02Å; R225-L596 HydrophobicContact CG-CG 4.14Å; C228-L596 HydrophobicContact CB-CD1 3.92Å; F231-L596 HydrophobicContact CB-CB 4.27Å; F231-L596 HydrophobicContact CB-CD1 4.31Å; F231-L596 HydrophobicContact CD1-CD1 4.35Å; F231-L596 HydrophobicContact CD1-CD2 4.49Å; F231-L596 HydrophobicContact CD2-CB 4.11Å; F231-L596 HydrophobicContact CE1-CD2 4.48Å; F231-L596 HydrophobicContact CG-CB 4.17Å; F231-L596 HydrophobicContact CG-CD1 4.33Å; D594-L596 PolarHBondContact O-N 2.61Å; L596-Y598 VanDerWaalsContact C-N 3.28Å; L596-Y598 PolarHBondContact O-N 3.45Å; L596-L599 HydrophobicContact CD2-CD2 3.91Å; L596-L599 PolarHBondContact O-N 3.01Å; L596-E600 WeakPolarHBondContact O-CB 3.46Å; L596-E600 PolarHBondContact O-N 2.92Å
597	I	94.2	Very high	87.1	Confident	43 Å²	43	43.7 Å²	43.7	22%	0.221	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-32.2	176.6	-59.6	170.2	0	0	0	111.3	H227 D594 H595 R790	H227-I597 HydrophobicContact CB-CG1 4.5Å; H227-I597 VanDerWaalsContact CD2-CD1 3.45Å; H227-I597 WeakPolarHBondContact CD2-CD1 3.28Å; D594-I597 HydrophobicContact CB-CD1 4.01Å; D594-I597 VanDerWaalsContact O-CB 3.32Å; D594-I597 WeakPolarHBondContact O-CB 3.34Å; D594-I597 PolarHBondContact O-N 2.72Å; H595-I597 PolarHBondContact O-N 3.4Å; I597-R790 VanDerWaalsContact CG2-CZ 3.47Å; I597-R790 PolarHBondContact O-NH2 3Å
598	Y	93.7	Very high	89.3	Confident	14 Å²	14	40 Å²	40	6%	0.055	21%	0.209	C	C	.	.	H	α-helix	trans	-88.6	-34	174.7	-50.8	-70	0	0	0	112.3	D594 H595 L596 E600 E601 V602 R723 L788	D594-Y598 HydrophobicContact CB-CE2 4.16Å; D594-Y598 VanDerWaalsContact O-CD2 3.31Å; D594-Y598 WeakPolarHBondContact O-CD2 3.45Å; D594-Y598 WeakPolarHBondContact O-CE2 3.37Å; D594-Y598 VanDerWaalsContact OD2-CE2 3.25Å; D594-Y598 WeakPolarHBondContact OD2-CE2 3.28Å; D594-Y598 PolarHBondContact OD2-OH 2.84Å; H595-Y598 PolarHBondContact O-N 2.91Å; L596-Y598 VanDerWaalsContact C-N 3.28Å; L596-Y598 PolarHBondContact O-N 3.45Å; Y598-E600 PolarHBondContact O-N 2.99Å; Y598-E601 WeakPolarHBondContact O-CB 3.33Å; Y598-E601 PolarHBondContact O-N 3.01Å; Y598-E601 VanDerWaalsContact O-N 3.13Å; Y598-V602 WeakPolarHBondContact O-CG2 3.36Å; Y598-V602 PolarHBondContact O-N 2.91Å; Y598-R723 HydrophobicContact CD1-CG 3.95Å; Y598-R723 HydrophobicContact CD2-CG 4Å; Y598-R723 HydrophobicContact CE1-CG 4.42Å; Y598-R723 HydrophobicContact CE2-CG 4.46Å; Y598-R723 VanDerWaalsContact CE2-NE 3.34Å; Y598-R723 HydrophobicContact CG-CG 3.75Å; Y598-R723 VanDerWaalsContact CZ-NE 3.28Å; Y598-R723 PolarHBondContact OH-NH2 2.98Å; Y598-R723 VanDerWaalsContact OH-NH2 3.16Å; Y598-L788 HydrophobicContact CE1-CB 4.16Å
599	L	96.3	Very high	91.4	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-35.6	174.4	-172.2	60	0	0	0	111.4	F231 I300 I314 V316 H595 L596 V602 L603	F231-L599 HydrophobicContact CE2-CB 4.11Å; F231-L599 HydrophobicContact CE2-CD2 4.08Å; F231-L599 HydrophobicContact CE2-CG 3.97Å; F231-L599 HydrophobicContact CZ-CD2 3.79Å; F231-L599 HydrophobicContact CZ-CG 4.07Å; I300-L599 HydrophobicContact CD1-CD2 4.13Å; I300-L599 HydrophobicContact CG2-CD1 3.98Å; I300-L599 HydrophobicContact CG2-CD2 4.18Å; I300-L599 HydrophobicContact CG2-CG 4.46Å; I314-L599 HydrophobicContact CG2-CD1 3.71Å; V316-L599 HydrophobicContact CG2-CD2 4Å; H595-L599 PolarHBondContact O-N 2.82Å; L596-L599 HydrophobicContact CD2-CD2 3.91Å; L596-L599 PolarHBondContact O-N 3.01Å; L599-V602 PolarHBondContact O-N 3.41Å; L599-L603 HydrophobicContact CG-CD1 4.21Å; L599-L603 WeakPolarHBondContact O-CG 3.25Å; L599-L603 PolarHBondContact O-N 2.68Å
600	E	96.4	Very high	93	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-53.3	-57.2	167.6	-174.1	178.1	120.5	0	0	111.4	F231 K234 L596 Y598 V602 L603 E604	F231-E600 HydrophobicContact CD2-CB 4.19Å; K234-E600 HydrophobicContact CD-CG 4.27Å; K234-E600 WeakPolarHBondContact CD-OE1 3.42Å; K234-E600 WeakPolarHBondContact CD-OE2 3.48Å; K234-E600 IonicContact NZ-OE1 3.79Å; K234-E600 PolarHBondContact NZ-OE1 3.45Å; K234-E600 IonicContact NZ-OE2 3.61Å; K234-E600 PolarHBondContact NZ-OE2 3.44Å; L596-E600 WeakPolarHBondContact O-CB 3.46Å; L596-E600 PolarHBondContact O-N 2.92Å; Y598-E600 PolarHBondContact O-N 2.99Å; E600-V602 PolarHBondContact O-N 3.41Å; E600-L603 PolarHBondContact O-N 2.81Å; E600-E604 WeakPolarHBondContact O-CG 3.39Å; E600-E604 PolarHBondContact O-N 2.89Å
601	E	95.4	Very high	94.6	Very high	28 Å²	28	29.6 Å²	29.6	13%	0.131	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-28.7	176.2	-99.6	-171.6	-117.7	0	0	113.1	Y598 R605 R779 R790	Y598-E601 WeakPolarHBondContact O-CB 3.33Å; Y598-E601 PolarHBondContact O-N 3.01Å; Y598-E601 VanDerWaalsContact O-N 3.13Å; E601-R605 WeakPolarHBondContact O-CB 3.31Å; E601-R605 VanDerWaalsContact O-CG 3.24Å; E601-R605 WeakPolarHBondContact O-CG 3.21Å; E601-R605 PolarHBondContact O-N 3.1Å; E601-R605 PolarHBondContact O-NE 2.93Å; E601-R779 IonicContact OE2-CZ 3.91Å; E601-R779 IonicContact OE2-NH1 2.65Å; E601-R779 PolarHBondContact OE2-NH1 3.15Å; E601-R779 VanDerWaalsContact OE2-NH1 3.13Å; E601-R779 IonicContact OE2-NH2 3.96Å; E601-R779 PolarHBondContact OE2-NH2 3.31Å; E601-R790 IonicContact OE1-CZ 3.61Å; E601-R790 VanDerWaalsContact OE1-CZ 3.28Å; E601-R790 IonicContact OE1-NE 3.62Å; E601-R790 PolarHBondContact OE1-NE 3.18Å; E601-R790 IonicContact OE1-NH2 2.62Å; E601-R790 PolarHBondContact OE1-NH2 3.41Å
602	V	96.4	Very high	95.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-73.3	-48.3	176	171.9	0	0	0	0	110.7	I314 Y598 L599 E600 R605 I606 W724	I314-V602 HydrophobicContact CD1-CG1 4.02Å; I314-V602 HydrophobicContact CG2-CG1 4.25Å; Y598-V602 WeakPolarHBondContact O-CG2 3.36Å; Y598-V602 PolarHBondContact O-N 2.91Å; L599-V602 PolarHBondContact O-N 3.41Å; E600-V602 PolarHBondContact O-N 3.41Å; V602-R605 VanDerWaalsContact CG2-NH2 3.35Å; V602-R605 PolarHBondContact O-N 2.96Å; V602-I606 HydrophobicContact CG1-CD1 3.74Å; V602-I606 WeakPolarHBondContact O-CD1 3.27Å; V602-I606 VanDerWaalsContact O-CG1 3.31Å; V602-I606 WeakPolarHBondContact O-CG1 3.34Å; V602-I606 PolarHBondContact O-N 3.06Å; V602-W724 HydrophobicContact CG1-CD2 3.79Å; V602-W724 HydrophobicContact CG1-CE3 3.86Å; V602-W724 HydrophobicContact CG1-CG 4.39Å; V602-W724 HydrophobicContact CG1-CH2 3.89Å; V602-W724 HydrophobicContact CG1-CZ2 3.87Å; V602-W724 HydrophobicContact CG1-CZ3 3.9Å; V602-W724 HydrophobicContact CG2-CB 4.12Å; V602-W724 HydrophobicContact CG2-CD2 4.2Å; V602-W724 HydrophobicContact CG2-CG 3.95Å
603	L	97.9	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.6	-43	179.4	-72.5	167.1	0	0	0	111.9	L184 F231 I235 Y239 I314 L599 E600 R605 I606 H607	L184-L603 HydrophobicContact CD1-CD2 3.83Å; L184-L603 HydrophobicContact CD2-CD1 3.86Å; L184-L603 HydrophobicContact CD2-CD2 4.32Å; F231-L603 HydrophobicContact CE2-CD1 3.95Å; F231-L603 HydrophobicContact CZ-CD1 3.77Å; I235-L603 HydrophobicContact CD1-CB 3.79Å; I235-L603 HydrophobicContact CD1-CD1 3.97Å; I235-L603 HydrophobicContact CG1-CD1 4.11Å; I235-L603 HydrophobicContact CG2-CD1 4.09Å; Y239-L603 HydrophobicContact CE1-CD2 4.41Å; Y239-L603 HydrophobicContact CE2-CB 3.96Å; Y239-L603 HydrophobicContact CE2-CD2 4.23Å; Y239-L603 PolarHBondContact OH-O 2.81Å; Y239-L603 VanDerWaalsContact OH-O 3.06Å; I314-L603 HydrophobicContact CD1-CD2 3.54Å; I314-L603 HydrophobicContact CD1-CG 4.18Å; L599-L603 HydrophobicContact CG-CD1 4.21Å; L599-L603 WeakPolarHBondContact O-CG 3.25Å; L599-L603 PolarHBondContact O-N 2.68Å; E600-L603 PolarHBondContact O-N 2.81Å; L603-R605 VanDerWaalsContact C-N 3.31Å; L603-R605 PolarHBondContact O-N 3.11Å; L603-I606 PolarHBondContact O-N 3.14Å; L603-H607 WeakPolarHBondContact O-CB 3.41Å; L603-H607 PolarHBondContact O-N 3.04Å
604	E	97.7	Very high	96.2	Very high	84 Å²	84	28.8 Å²	28.8	39%	0.393	15%	0.146	S	C	.	.	H	α-helix	trans	-57.8	-42.2	173.9	-72.2	-173.4	153.3	0	0	112.1	L238 E600 A608	L238-E604 HydrophobicContact CD1-CG 3.83Å; E600-E604 WeakPolarHBondContact O-CG 3.39Å; E600-E604 PolarHBondContact O-N 2.89Å; E604-A608 WeakPolarHBondContact O-CB 3.32Å; E604-A608 PolarHBondContact O-N 3.44Å
605	R	97	Very high	96.3	Very high	88 Å²	88	31.4 Å²	31.4	33%	0.332	16%	0.158	S	C	.	.	H	α-helix	trans	-63.4	-42.3	175.4	-80.5	-179.9	-73.6	171.6	-8.7	112.6	E601 V602 L603 E609 R723 W724	E601-R605 WeakPolarHBondContact O-CB 3.31Å; E601-R605 VanDerWaalsContact O-CG 3.24Å; E601-R605 WeakPolarHBondContact O-CG 3.21Å; E601-R605 PolarHBondContact O-N 3.1Å; E601-R605 PolarHBondContact O-NE 2.93Å; V602-R605 VanDerWaalsContact CG2-NH2 3.35Å; V602-R605 PolarHBondContact O-N 2.96Å; L603-R605 VanDerWaalsContact C-N 3.31Å; L603-R605 PolarHBondContact O-N 3.11Å; R605-E609 WeakPolarHBondContact O-CB 3.34Å; R605-E609 PolarHBondContact O-N 2.9Å; R605-R723 PolarHBondContact NH2-O 3.28Å; R605-W724 PolarHBondContact NH1-O 3.35Å
606	I	97.8	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-44.2	179.5	-68.4	158.8	0	0	0	110.9	I314 V602 L603 Y610 I628 I631 V632 L635 W724	I314-I606 HydrophobicContact CD1-CD1 3.5Å; I314-I606 VanDerWaalsContact CD1-CD1 3.5Å; I314-I606 HydrophobicContact CG1-CD1 4.08Å; V602-I606 HydrophobicContact CG1-CD1 3.74Å; V602-I606 WeakPolarHBondContact O-CD1 3.27Å; V602-I606 VanDerWaalsContact O-CG1 3.31Å; V602-I606 WeakPolarHBondContact O-CG1 3.34Å; V602-I606 PolarHBondContact O-N 3.06Å; L603-I606 PolarHBondContact O-N 3.14Å; I606-Y610 WeakPolarHBondContact O-CB 3.34Å; I606-Y610 PolarHBondContact O-N 3.12Å; I606-I628 HydrophobicContact CG2-CD1 3.68Å; I606-I631 HydrophobicContact CG2-CG2 4.41Å; I606-V632 HydrophobicContact CD1-CG2 3.87Å; I606-V632 HydrophobicContact CG1-CG2 4.21Å; I606-V632 HydrophobicContact CG2-CG2 4.21Å; I606-L635 HydrophobicContact CB-CD1 4.44Å; I606-L635 HydrophobicContact CG1-CD1 3.81Å; I606-W724 HydrophobicContact CD1-CH2 3.76Å; I606-W724 HydrophobicContact CD1-CZ3 3.92Å; I606-W724 HydrophobicContact CG1-CH2 4.39Å; I606-W724 HydrophobicContact CG1-CZ3 4.11Å
607	H	98.3	Very high	96.3	Very high	20 Å²	20	37.3 Å²	37.3	9%	0.093	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-50.4	176.3	-179.7	-81.5	0	0	0	111.9	K180 L182 L238 Y239 L603 E609 Y610 F611	K180-H607 PolarHBondContact O-CE1 2.7Å; K180-H607 PolarHBondContact O-NE2 3.2Å; L182-H607 HydrophobicContact CD1-CB 4.3Å; L238-H607 PolarHBondContact O-CD2 3.28Å; L238-H607 PolarHBondContact O-NE2 3.3Å; Y239-H607 HydrophobicContact CE2-CB 4.05Å; L603-H607 WeakPolarHBondContact O-CB 3.41Å; L603-H607 PolarHBondContact O-N 3.04Å; H607-E609 PolarHBondContact O-N 3.02Å; H607-Y610 PolarHBondContact O-N 3.02Å; H607-F611 AromaticContact CD2-CD2 3.94Å; H607-F611 AromaticContact CD2-CE2 3.79Å; H607-F611 AromaticContact CE1-CD2 3.48Å; H607-F611 VanDerWaalsContact CE1-CD2 3.48Å; H607-F611 WeakPolarHBondContact CE1-CD2 3.22Å; H607-F611 AromaticContact CE1-CE2 3.81Å; H607-F611 AromaticContact ND1-CD2 3.85Å; H607-F611 AromaticContact NE2-CD2 3.55Å; H607-F611 AromaticContact NE2-CE2 3.38Å; H607-F611 WeakPolarHBondContact NE2-CE2 3.42Å; H607-F611 WeakPolarHBondContact O-CD2 3.46Å; H607-F611 PolarHBondContact O-N 2.87Å
608	A	97.8	Very high	96.2	Very high	59 Å²	59	40.1 Å²	40.1	49%	0.488	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-44.3	179.2	0	0	0	0	0	112.4	E604 F611 A612	E604-A608 WeakPolarHBondContact O-CB 3.32Å; E604-A608 PolarHBondContact O-N 3.44Å; A608-F611 PolarHBondContact O-N 2.92Å; A608-A612 VanDerWaalsContact O-CB 3.25Å; A608-A612 WeakPolarHBondContact O-CB 3.42Å; A608-A612 PolarHBondContact O-N 3.03Å
609	E	97.2	Very high	96.3	Very high	55 Å²	55	45.5 Å²	45.5	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-64.3	-40.2	176.5	-178.4	72.5	-162.5	0	0	111.7	R605 H607 R613 I631 L635	R605-E609 WeakPolarHBondContact O-CB 3.34Å; R605-E609 PolarHBondContact O-N 2.9Å; H607-E609 PolarHBondContact O-N 3.02Å; E609-R613 WeakPolarHBondContact O-CG 3.1Å; E609-R613 PolarHBondContact O-N 3.39Å; E609-R613 VanDerWaalsContact O-N 3.11Å; E609-R613 IonicContact OE1-CZ 2.69Å; E609-R613 IonicContact OE1-NE 3.84Å; E609-R613 PolarHBondContact OE1-NE 2.7Å; E609-R613 IonicContact OE1-NH2 3.49Å; E609-R613 PolarHBondContact OE1-NH2 2.72Å; E609-I631 HydrophobicContact CB-CG2 4.12Å; E609-I631 HydrophobicContact CG-CG1 4.5Å; E609-I631 HydrophobicContact CG-CG2 3.75Å; E609-L635 HydrophobicContact CB-CD1 4.09Å; E609-L635 HydrophobicContact CG-CD1 4.21Å; E609-L635 HydrophobicContact CG-CD2 4.26Å; E609-L635 HydrophobicContact CG-CG 4.4Å
610	Y	97.5	Very high	96.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-52.4	175.1	-177.3	-83.1	0	0	0	111.4	H177 L182 M296 I606 H607 A612 R613 Y614 P626 I628 I631	H177-Y610 AromaticContact NE2-CE1 3.86Å; H177-Y610 AromaticContact NE2-CZ 3.89Å; H177-Y610 PolarHBondContact NE2-OH 3.46Å; L182-Y610 HydrophobicContact CD1-CG 4.28Å; L182-Y610 HydrophobicContact CD2-CD1 3.76Å; L182-Y610 HydrophobicContact CD2-CD2 4.01Å; L182-Y610 HydrophobicContact CD2-CE1 3.91Å; L182-Y610 HydrophobicContact CD2-CE2 4.13Å; L182-Y610 HydrophobicContact CD2-CG 3.84Å; L182-Y610 HydrophobicContact CG-CD1 4.45Å; M296-Y610 HydrophobicContact CG-CE1 4.39Å; M296-Y610 HydrophobicContact CG-CE2 4.03Å; M296-Y610 WeakPolarHBondContact CG-OH 3.33Å; I606-Y610 WeakPolarHBondContact O-CB 3.34Å; I606-Y610 PolarHBondContact O-N 3.12Å; H607-Y610 PolarHBondContact O-N 3.02Å; Y610-A612 PolarHBondContact O-N 3.2Å; Y610-R613 PolarHBondContact O-N 3.1Å; Y610-Y614 WeakPolarHBondContact O-CB 3.23Å; Y610-Y614 PolarHBondContact O-N 2.66Å; Y610-P626 HydrophobicContact CD1-CG 4.45Å; Y610-P626 HydrophobicContact CD2-CB 3.88Å; Y610-P626 HydrophobicContact CD2-CG 4.2Å; Y610-P626 HydrophobicContact CE1-CG 4.05Å; Y610-P626 HydrophobicContact CE2-CB 3.75Å; Y610-P626 HydrophobicContact CE2-CG 3.79Å; Y610-P626 VanDerWaalsContact CE2-O 3.28Å; Y610-P626 WeakPolarHBondContact CE2-O 3.45Å; Y610-P626 HydrophobicContact CG-CB 4.44Å; Y610-P626 HydrophobicContact CG-CG 4.5Å; Y610-P626 PolarHBondContact OH-O 2.69Å; Y610-I628 HydrophobicContact CD2-CD1 3.53Å; Y610-I628 HydrophobicContact CD2-CG1 3.84Å; Y610-I628 HydrophobicContact CE2-CD1 4.38Å; Y610-I628 HydrophobicContact CE2-CG1 4.22Å; Y610-I628 HydrophobicContact CG-CD1 4.05Å; Y610-I631 HydrophobicContact CD2-CD1 3.7Å; Y610-I631 HydrophobicContact CG-CD1 4.28Å
611	F	97.3	Very high	95.9	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.044	28%	0.284	C	S	.	.	H	α-helix	trans	-71.5	-31	-176.8	-80.8	-73.6	0	0	0	113.1	K180 L182 H607 A608 Y614 E615	K180-F611 VanDerWaalsContact C-CZ 3.43Å; K180-F611 VanDerWaalsContact CA-CZ 3.49Å; K180-F611 HydrophobicContact CB-CD1 4.46Å; K180-F611 HydrophobicContact CB-CE1 4.17Å; K180-F611 HydrophobicContact CB-CE2 4.44Å; K180-F611 HydrophobicContact CB-CZ 4.17Å; K180-F611 HydrophobicContact CG-CD1 4.21Å; K180-F611 HydrophobicContact CG-CE1 4.13Å; L182-F611 HydrophobicContact CG-CE2 4.11Å; H607-F611 AromaticContact CD2-CD2 3.94Å; H607-F611 AromaticContact CD2-CE2 3.79Å; H607-F611 AromaticContact CE1-CD2 3.48Å; H607-F611 VanDerWaalsContact CE1-CD2 3.48Å; H607-F611 WeakPolarHBondContact CE1-CD2 3.22Å; H607-F611 AromaticContact CE1-CE2 3.81Å; H607-F611 AromaticContact ND1-CD2 3.85Å; H607-F611 AromaticContact NE2-CD2 3.55Å; H607-F611 AromaticContact NE2-CE2 3.38Å; H607-F611 WeakPolarHBondContact NE2-CE2 3.42Å; H607-F611 WeakPolarHBondContact O-CD2 3.46Å; H607-F611 PolarHBondContact O-N 2.87Å; A608-F611 PolarHBondContact O-N 2.92Å; F611-Y614 HydrophobicContact CD1-CD1 4.11Å; F611-Y614 HydrophobicContact CE1-CD1 4.25Å; F611-Y614 PolarHBondContact O-N 2.79Å; F611-E615 WeakPolarHBondContact O-CG 3.25Å; F611-E615 PolarHBondContact O-N 3.21Å
612	A	96.3	Very high	95.5	Very high	51 Å²	51	60.2 Å²	60.2	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-41	170.4	0	0	0	0	0	112.3	A608 Y610 T616	A608-A612 VanDerWaalsContact O-CB 3.25Å; A608-A612 WeakPolarHBondContact O-CB 3.42Å; A608-A612 PolarHBondContact O-N 3.03Å; Y610-A612 PolarHBondContact O-N 3.2Å; A612-T616 WeakPolarHBondContact O-CB 3.39Å; A612-T616 PolarHBondContact O-N 2.9Å; A612-T616 PolarHBondContact O-OG1 3.16Å
613	R	95.9	Very high	94.9	Very high	68 Å²	68	66 Å²	66	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-68.5	-38	172.1	-69.4	178.2	-170.7	-152.1	4.1	111.9	E609 Y610 T616 Y617 P626 E634	E609-R613 WeakPolarHBondContact O-CG 3.1Å; E609-R613 PolarHBondContact O-N 3.39Å; E609-R613 VanDerWaalsContact O-N 3.11Å; E609-R613 IonicContact OE1-CZ 2.69Å; E609-R613 IonicContact OE1-NE 3.84Å; E609-R613 PolarHBondContact OE1-NE 2.7Å; E609-R613 IonicContact OE1-NH2 3.49Å; E609-R613 PolarHBondContact OE1-NH2 2.72Å; Y610-R613 PolarHBondContact O-N 3.1Å; R613-T616 WeakPolarHBondContact O-CB 3.44Å; R613-T616 PolarHBondContact O-N 2.91Å; R613-Y617 PolarHBondContact O-N 2.63Å; R613-P626 HydrophobicContact CB-CB 3.81Å; R613-P626 HydrophobicContact CB-CG 4.25Å; R613-E634 IonicContact CZ-OE2 2.85Å; R613-E634 IonicContact NH1-OE1 3.51Å; R613-E634 IonicContact NH1-OE2 2.71Å; R613-E634 PolarHBondContact NH1-OE2 2.76Å; R613-E634 IonicContact NH2-OE2 3.74Å; R613-E634 PolarHBondContact NH2-OE2 3.25Å
614	Y	95.1	Very high	94.4	Very high	38 Å²	38	71.6 Å²	71.6	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-45.1	178.6	-172.5	-116.6	0	0	0	111.8	H177 Y610 F611 T616 Y617 L618 P626	H177-Y614 HydrophobicContact CB-CE1 4.04Å; H177-Y614 AromaticContact CD2-CE1 3.92Å; H177-Y614 AromaticContact CD2-CE2 3.96Å; H177-Y614 AromaticContact CD2-CZ 3.78Å; H177-Y614 AromaticContact CE1-CE2 3.56Å; H177-Y614 AromaticContact CE1-CZ 3.8Å; H177-Y614 AromaticContact CG-CE1 3.89Å; H177-Y614 AromaticContact CG-CZ 3.58Å; H177-Y614 AromaticContact ND1-CE2 3.84Å; H177-Y614 AromaticContact ND1-CZ 3.59Å; H177-Y614 PolarHBondContact ND1-OH 3.49Å; H177-Y614 AromaticContact NE2-CD2 3.91Å; H177-Y614 AromaticContact NE2-CE2 3.63Å; H177-Y614 AromaticContact NE2-CZ 3.91Å; Y610-Y614 WeakPolarHBondContact O-CB 3.23Å; Y610-Y614 PolarHBondContact O-N 2.66Å; F611-Y614 HydrophobicContact CD1-CD1 4.11Å; F611-Y614 HydrophobicContact CE1-CD1 4.25Å; F611-Y614 PolarHBondContact O-N 2.79Å; Y614-T616 PolarHBondContact O-N 3.35Å; Y614-Y617 HydrophobicContact CD2-CD1 4.26Å; Y614-Y617 HydrophobicContact CE2-CD1 4.2Å; Y614-Y617 WeakPolarHBondContact O-CB 3.42Å; Y614-Y617 PolarHBondContact O-N 3.19Å; Y614-L618 HydrophobicContact CD1-CD1 3.96Å; Y614-L618 HydrophobicContact CD1-CG 4.38Å; Y614-L618 HydrophobicContact CE1-CD1 3.64Å; Y614-L618 HydrophobicContact CE1-CD2 4.43Å; Y614-L618 HydrophobicContact CE1-CG 4.11Å; Y614-L618 WeakPolarHBondContact O-CG 3.43Å; Y614-L618 PolarHBondContact O-N 3.06Å; Y614-P626 HydrophobicContact CD2-CG 4.11Å; Y614-P626 HydrophobicContact CG-CG 4.46Å
615	E	94.4	Very high	94	Very high	77 Å²	77	70.9 Å²	70.9	36%	0.36	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-32.8	174.6	-71.5	177.8	-175.9	0	0	112	K180 F611 L618 R619	K180-E615 IonicContact NZ-OE1 3.98Å; K180-E615 PolarHBondContact NZ-OE1 3.13Å; F611-E615 WeakPolarHBondContact O-CG 3.25Å; F611-E615 PolarHBondContact O-N 3.21Å; E615-L618 PolarHBondContact O-N 3.41Å; E615-R619 WeakPolarHBondContact O-CG 3.48Å; E615-R619 PolarHBondContact O-N 2.8Å; E615-R619 PolarHBondContact O-NH1 2.85Å
616	T	95.3	Very high	93.9	Very high	41 Å²	41	67.2 Å²	67.2	25%	0.252	34%	0.344	S	S	.	.	H	α-helix	trans	-70.9	-36.4	175	-56.1	0	0	0	0	112.2	A612 R613 Y614 R619 K620 E621 A622	A612-T616 WeakPolarHBondContact O-CB 3.39Å; A612-T616 PolarHBondContact O-N 2.9Å; A612-T616 PolarHBondContact O-OG1 3.16Å; R613-T616 WeakPolarHBondContact O-CB 3.44Å; R613-T616 PolarHBondContact O-N 2.91Å; Y614-T616 PolarHBondContact O-N 3.35Å; T616-R619 PolarHBondContact OG1-NH2 2.66Å; T616-K620 PolarHBondContact O-N 3.24Å; T616-E621 HydrophobicContact CG2-CB 3.72Å; T616-E621 PolarHBondContact O-N 2.79Å; T616-A622 HydrophobicContact CG2-CB 4.24Å; T616-A622 PolarHBondContact O-N 3.33Å
617	Y	94.1	Very high	93.7	Very high	88 Å²	88	68.5 Å²	68.5	35%	0.345	35%	0.351	S	S	.	.	H	α-helix	trans	-65.7	-43	168.9	170.5	-105.7	0	0	0	112	R613 Y614 R619 K620 E624 M625	R613-Y617 PolarHBondContact O-N 2.63Å; Y614-Y617 HydrophobicContact CD2-CD1 4.26Å; Y614-Y617 HydrophobicContact CE2-CD1 4.2Å; Y614-Y617 WeakPolarHBondContact O-CB 3.42Å; Y614-Y617 PolarHBondContact O-N 3.19Å; Y617-R619 VanDerWaalsContact C-N 3.32Å; Y617-R619 PolarHBondContact O-N 3.06Å; Y617-K620 WeakPolarHBondContact O-CA 3.41Å; Y617-K620 PolarHBondContact O-N 3.14Å; Y617-E624 VanDerWaalsContact CD2-C 3.48Å; Y617-E624 WeakPolarHBondContact CD2-O 3.48Å; Y617-M625 HydrophobicContact CD1-CB 4.5Å; Y617-M625 HydrophobicContact CE1-CB 4.24Å; Y617-M625 HydrophobicContact CE1-CG 4.38Å; Y617-M625 HydrophobicContact CE2-CB 4.44Å
618	L	93.1	Very high	93.6	Very high	102 Å²	102	67.6 Å²	67.6	53%	0.534	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-35.3	175.6	-70.3	178.2	0	0	0	112.9	Y614 E615 K620	Y614-L618 HydrophobicContact CD1-CD1 3.96Å; Y614-L618 HydrophobicContact CD1-CG 4.38Å; Y614-L618 HydrophobicContact CE1-CD1 3.64Å; Y614-L618 HydrophobicContact CE1-CD2 4.43Å; Y614-L618 HydrophobicContact CE1-CG 4.11Å; Y614-L618 WeakPolarHBondContact O-CG 3.43Å; Y614-L618 PolarHBondContact O-N 3.06Å; E615-L618 PolarHBondContact O-N 3.41Å; L618-K620 PolarHBondContact O-N 3.33Å
619	R	94.5	Very high	93.4	Very high	126 Å²	126	69.1 Å²	69.1	48%	0.475	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.5	170.8	-68.1	-170.6	-48.4	-82.3	-3.4	113.8	E615 T616 Y617 E621	E615-R619 WeakPolarHBondContact O-CG 3.48Å; E615-R619 PolarHBondContact O-N 2.8Å; E615-R619 PolarHBondContact O-NH1 2.85Å; T616-R619 PolarHBondContact OG1-NH2 2.66Å; Y617-R619 VanDerWaalsContact C-N 3.32Å; Y617-R619 PolarHBondContact O-N 3.06Å; R619-E621 HydrophobicContact CB-CG 4.08Å; R619-E621 WeakPolarHBondContact CB-OE1 3.41Å; R619-E621 WeakPolarHBondContact CD-OE1 3.41Å; R619-E621 IonicContact CZ-OE1 2.71Å; R619-E621 IonicContact CZ-OE2 3.83Å; R619-E621 IonicContact NE-OE1 3.13Å; R619-E621 PolarHBondContact NE-OE1 3.24Å; R619-E621 IonicContact NE-OE2 3.14Å; R619-E621 PolarHBondContact NE-OE2 3.11Å; R619-E621 VanDerWaalsContact NE-OE2 3.16Å; R619-E621 IonicContact NH2-OE1 2.82Å; R619-E621 IonicContact NH2-OE2 2.72Å; R619-E621 PolarHBondContact NH2-OE2 2.9Å; R619-E621 PolarHBondContact O-N 2.61Å
620	K	92.3	Very high	93.4	Very high	191 Å²	191	72.3 Å²	72.3	83%	0.83	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	24	-175	-51.4	180	-177.6	179.3	0	113.8	T616 Y617 L618	T616-K620 PolarHBondContact O-N 3.24Å; Y617-K620 WeakPolarHBondContact O-CA 3.41Å; Y617-K620 PolarHBondContact O-N 3.14Å; L618-K620 PolarHBondContact O-N 3.33Å
621	E	92.4	Very high	93.3	Very high	128 Å²	128	72.4 Å²	72.4	60%	0.598	35%	0.35	S	S	*	.	S	Bend	trans	-83	-27.1	173.3	-68.6	163.7	-158.1	0	0	111.3	T616 R619	T616-E621 HydrophobicContact CG2-CB 3.72Å; T616-E621 PolarHBondContact O-N 2.79Å; R619-E621 HydrophobicContact CB-CG 4.08Å; R619-E621 WeakPolarHBondContact CB-OE1 3.41Å; R619-E621 WeakPolarHBondContact CD-OE1 3.41Å; R619-E621 IonicContact CZ-OE1 2.71Å; R619-E621 IonicContact CZ-OE2 3.83Å; R619-E621 IonicContact NE-OE1 3.13Å; R619-E621 PolarHBondContact NE-OE1 3.24Å; R619-E621 IonicContact NE-OE2 3.14Å; R619-E621 PolarHBondContact NE-OE2 3.11Å; R619-E621 VanDerWaalsContact NE-OE2 3.16Å; R619-E621 IonicContact NH2-OE1 2.82Å; R619-E621 IonicContact NH2-OE2 2.72Å; R619-E621 PolarHBondContact NH2-OE2 2.9Å; R619-E621 PolarHBondContact O-N 2.61Å
622	A	88	Confident	93.2	Very high	37 Å²	37	72 Å²	72	31%	0.306	35%	0.349	S	S	.	.	S	Bend	trans	-107.4	141.9	169.5	0	0	0	0	0	111.2	T616	T616-A622 HydrophobicContact CG2-CB 4.24Å; T616-A622 PolarHBondContact O-N 3.33Å
623	S	82.4	Confident	93.2	Very high	123 Å²	123	72.1 Å²	72.1	86%	0.86	35%	0.345	S	S	*	.	S	Bend	trans	-89	-9.2	-179.1	-170.4	0	0	0	0	114.4
624	E	88.3	Confident	93.2	Very high	118 Å²	118	71.9 Å²	71.9	55%	0.551	35%	0.347	S	S	*	.	S	Bend	trans	-126.4	143	-176	-62.8	-177.7	150.9	0	0	109.7	Y617 R630	Y617-E624 VanDerWaalsContact CD2-C 3.48Å; Y617-E624 WeakPolarHBondContact CD2-O 3.48Å; E624-R630 IonicContact OE2-CZ 3.63Å; E624-R630 IonicContact OE2-NH1 2.76Å; E624-R630 PolarHBondContact OE2-NH1 2.96Å; E624-R630 IonicContact OE2-NH2 2.66Å; E624-R630 PolarHBondContact OE2-NH2 2.9Å
625	M	89.3	Confident	93.2	Very high	69 Å²	69	71.4 Å²	71.4	34%	0.34	35%	0.347	S	S	.	.			trans	-68.7	139.6	170.3	-172.5	176.4	71.2	0	0	109.4	Y617	Y617-M625 HydrophobicContact CD1-CB 4.5Å; Y617-M625 HydrophobicContact CE1-CB 4.24Å; Y617-M625 HydrophobicContact CE1-CG 4.38Å; Y617-M625 HydrophobicContact CE2-CB 4.44Å
626	P	94.1	Very high	93.2	Very high	11 Å²	11	68.4 Å²	68.4	7%	0.071	33%	0.332	C	S	.	.			trans	-61.1	147.4	177.3	23.5	-34.7	0	0	0	113.2	Y610 R613 Y614 I631	Y610-P626 HydrophobicContact CD1-CG 4.45Å; Y610-P626 HydrophobicContact CD2-CB 3.88Å; Y610-P626 HydrophobicContact CD2-CG 4.2Å; Y610-P626 HydrophobicContact CE1-CG 4.05Å; Y610-P626 HydrophobicContact CE2-CB 3.75Å; Y610-P626 HydrophobicContact CE2-CG 3.79Å; Y610-P626 VanDerWaalsContact CE2-O 3.28Å; Y610-P626 WeakPolarHBondContact CE2-O 3.45Å; Y610-P626 HydrophobicContact CG-CB 4.44Å; Y610-P626 HydrophobicContact CG-CG 4.5Å; Y610-P626 PolarHBondContact OH-O 2.69Å; R613-P626 HydrophobicContact CB-CB 3.81Å; R613-P626 HydrophobicContact CB-CG 4.25Å; Y614-P626 HydrophobicContact CD2-CG 4.11Å; Y614-P626 HydrophobicContact CG-CG 4.46Å; P626-I631 HydrophobicContact CB-CD1 4.02Å
627	D	94.9	Very high	93.2	Very high	27 Å²	27	68.6 Å²	68.6	14%	0.144	34%	0.335	C	S	.	.			trans	-133.9	120.8	-177.4	-175.7	-13.3	0	0	0	109.5	R629 R630 I631	D627-R629 PolarHBondContact O-N 3.38Å; D627-R629 WeakPolarHBondContact OD1-CB 3.37Å; D627-R629 WeakPolarHBondContact OD1-CG 3.5Å; D627-R629 IonicContact OD1-CZ 3.24Å; D627-R629 PolarHBondContact OD1-N 3.19Å; D627-R629 IonicContact OD1-NE 3.97Å; D627-R629 PolarHBondContact OD1-NE 2.75Å; D627-R629 IonicContact OD1-NH2 3.35Å; D627-R629 IonicContact OD2-CZ 3.24Å; D627-R629 VanDerWaalsContact OD2-CZ 3.29Å; D627-R629 IonicContact OD2-NE 2.79Å; D627-R629 PolarHBondContact OD2-NE 3.43Å; D627-R629 IonicContact OD2-NH2 2.7Å; D627-R629 PolarHBondContact OD2-NH2 2.79Å; D627-R630 PolarHBondContact O-N 2.86Å; D627-I631 PolarHBondContact O-N 3.22Å; D627-I631 VanDerWaalsContact O-N 3.08Å
628	I	95.6	Very high	93.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-56.3	-32.4	178.5	-66.6	-68.1	0	0	0	111.5	L182 S295 C298 N312 I606 Y610 R630 I631 V632	L182-I628 HydrophobicContact CD1-CD1 3.7Å; L182-I628 HydrophobicContact CD2-CD1 4.13Å; L182-I628 HydrophobicContact CD2-CG1 4.23Å; S295-I628 WeakPolarHBondContact O-CG1 3.46Å; S295-I628 PolarHBondContact O-N 3.17Å; C298-I628 HydrophobicContact CB-CG2 4.26Å; N312-I628 HydrophobicContact CB-CG2 3.92Å; I606-I628 HydrophobicContact CG2-CD1 3.68Å; Y610-I628 HydrophobicContact CD2-CD1 3.53Å; Y610-I628 HydrophobicContact CD2-CG1 3.84Å; Y610-I628 HydrophobicContact CE2-CD1 4.38Å; Y610-I628 HydrophobicContact CE2-CG1 4.22Å; Y610-I628 HydrophobicContact CG-CD1 4.05Å; I628-R630 PolarHBondContact O-N 3Å; I628-I631 PolarHBondContact O-N 3.32Å; I628-V632 HydrophobicContact CG2-CG2 3.83Å; I628-V632 WeakPolarHBondContact O-CB 3.44Å; I628-V632 PolarHBondContact O-N 3.34Å
629	R	94.6	Very high	93.4	Very high	91 Å²	91	65.5 Å²	65.5	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-14.2	178.3	-57.5	173.1	-58.5	178.7	12	113.6	D294 P311 N312 D627 P633	D294-R629 WeakPolarHBondContact OD1-CD 3.3Å; D294-R629 IonicContact OD1-CZ 3.16Å; D294-R629 IonicContact OD1-NE 2.65Å; D294-R629 IonicContact OD1-NH1 2.61Å; D294-R629 PolarHBondContact OD1-NH1 2.85Å; D294-R629 WeakPolarHBondContact OD2-CD 3.41Å; P311-R629 HydrophobicContact CB-CB 4.31Å; P311-R629 HydrophobicContact CG-CB 3.77Å; P311-R629 HydrophobicContact CG-CG 4.05Å; N312-R629 HydrophobicContact CB-CG 3.94Å; D627-R629 PolarHBondContact O-N 3.38Å; D627-R629 WeakPolarHBondContact OD1-CB 3.37Å; D627-R629 WeakPolarHBondContact OD1-CG 3.5Å; D627-R629 IonicContact OD1-CZ 3.24Å; D627-R629 PolarHBondContact OD1-N 3.19Å; D627-R629 IonicContact OD1-NE 3.97Å; D627-R629 PolarHBondContact OD1-NE 2.75Å; D627-R629 IonicContact OD1-NH2 3.35Å; D627-R629 IonicContact OD2-CZ 3.24Å; D627-R629 VanDerWaalsContact OD2-CZ 3.29Å; D627-R629 IonicContact OD2-NE 2.79Å; D627-R629 PolarHBondContact OD2-NE 3.43Å; D627-R629 IonicContact OD2-NH2 2.7Å; D627-R629 PolarHBondContact OD2-NH2 2.79Å; R629-P633 VanDerWaalsContact O-CD 3.3Å; R629-P633 WeakPolarHBondContact O-CD 3.23Å; R629-P633 WeakPolarHBondContact O-CG 3.37Å
630	R	95.4	Very high	93.4	Very high	123 Å²	123	59.6 Å²	59.6	46%	0.464	30%	0.299	S	S	.	.	H	α-helix	trans	-101.5	-42.5	170.9	-68.4	170.8	65.2	176	-2.4	111	E624 D627 I628 P633 E634	E624-R630 IonicContact OE2-CZ 3.63Å; E624-R630 IonicContact OE2-NH1 2.76Å; E624-R630 PolarHBondContact OE2-NH1 2.96Å; E624-R630 IonicContact OE2-NH2 2.66Å; E624-R630 PolarHBondContact OE2-NH2 2.9Å; D627-R630 PolarHBondContact O-N 2.86Å; I628-R630 PolarHBondContact O-N 3Å; R630-P633 WeakPolarHBondContact O-CD 3.31Å; R630-E634 VanDerWaalsContact O-CB 3.29Å; R630-E634 WeakPolarHBondContact O-CB 3.29Å; R630-E634 WeakPolarHBondContact O-CG 3.21Å; R630-E634 PolarHBondContact O-N 2.76Å
631	I	96.4	Very high	93.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-45.1	-179.6	-68.5	158.2	0	0	0	112.3	I606 E609 Y610 P626 D627 I628 E634 L635	I606-I631 HydrophobicContact CG2-CG2 4.41Å; E609-I631 HydrophobicContact CB-CG2 4.12Å; E609-I631 HydrophobicContact CG-CG1 4.5Å; E609-I631 HydrophobicContact CG-CG2 3.75Å; Y610-I631 HydrophobicContact CD2-CD1 3.7Å; Y610-I631 HydrophobicContact CG-CD1 4.28Å; P626-I631 HydrophobicContact CB-CD1 4.02Å; D627-I631 PolarHBondContact O-N 3.22Å; D627-I631 VanDerWaalsContact O-N 3.08Å; I628-I631 PolarHBondContact O-N 3.32Å; I631-E634 PolarHBondContact O-N 3.22Å; I631-L635 HydrophobicContact CG2-CD1 3.68Å; I631-L635 HydrophobicContact CG2-CG 4.2Å; I631-L635 WeakPolarHBondContact O-CB 3.48Å; I631-L635 WeakPolarHBondContact O-CG 3.35Å; I631-L635 PolarHBondContact O-N 2.94Å
632	V	96.1	Very high	93.4	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-52.9	-179.4	158.4	0	0	0	0	111.7	P311 I606 I628 E634 L635 K636 W724	P311-V632 WeakPolarHBondContact O-CG1 3.43Å; I606-V632 HydrophobicContact CD1-CG2 3.87Å; I606-V632 HydrophobicContact CG1-CG2 4.21Å; I606-V632 HydrophobicContact CG2-CG2 4.21Å; I628-V632 HydrophobicContact CG2-CG2 3.83Å; I628-V632 WeakPolarHBondContact O-CB 3.44Å; I628-V632 PolarHBondContact O-N 3.34Å; V632-E634 PolarHBondContact O-N 3.36Å; V632-L635 PolarHBondContact O-N 3.47Å; V632-K636 VanDerWaalsContact O-CB 3.26Å; V632-K636 WeakPolarHBondContact O-CB 3.37Å; V632-K636 PolarHBondContact O-N 3.33Å; V632-W724 HydrophobicContact CB-CH2 4.4Å; V632-W724 HydrophobicContact CG1-CH2 3.88Å; V632-W724 HydrophobicContact CG1-CZ2 4.44Å; V632-W724 HydrophobicContact CG2-CH2 4.34Å
633	P	95.2	Very high	93.7	Very high	53 Å²	53	52.7 Å²	52.7	34%	0.344	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-38.9	175.7	-25.7	37.1	0	0	0	113.5	P311 R629 R630 K636 S637	P311-P633 HydrophobicContact CB-CG 4.03Å; P311-P633 WeakPolarHBondContact O-CD 3.44Å; P311-P633 WeakPolarHBondContact O-CG 3.3Å; R629-P633 VanDerWaalsContact O-CD 3.3Å; R629-P633 WeakPolarHBondContact O-CD 3.23Å; R629-P633 WeakPolarHBondContact O-CG 3.37Å; R630-P633 WeakPolarHBondContact O-CD 3.31Å; P633-K636 PolarHBondContact O-N 3.37Å; P633-S637 VanDerWaalsContact O-CB 3.25Å; P633-S637 WeakPolarHBondContact O-CB 3.39Å; P633-S637 PolarHBondContact O-N 3.13Å; P633-S637 PolarHBondContact O-OG 3.3Å
634	E	95.6	Very high	94.3	Very high	63 Å²	63	47.3 Å²	47.3	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-46.7	177.1	-75.2	170.9	-147.9	0	0	111.8	R613 R630 I631 V632 S637 K638	R613-E634 IonicContact CZ-OE2 2.85Å; R613-E634 IonicContact NH1-OE1 3.51Å; R613-E634 IonicContact NH1-OE2 2.71Å; R613-E634 PolarHBondContact NH1-OE2 2.76Å; R613-E634 IonicContact NH2-OE2 3.74Å; R613-E634 PolarHBondContact NH2-OE2 3.25Å; R630-E634 VanDerWaalsContact O-CB 3.29Å; R630-E634 WeakPolarHBondContact O-CB 3.29Å; R630-E634 WeakPolarHBondContact O-CG 3.21Å; R630-E634 PolarHBondContact O-N 2.76Å; I631-E634 PolarHBondContact O-N 3.22Å; V632-E634 PolarHBondContact O-N 3.36Å; E634-S637 PolarHBondContact O-N 2.95Å; E634-S637 PolarHBondContact O-OG 3Å; E634-K638 WeakPolarHBondContact O-CG 3.41Å; E634-K638 PolarHBondContact O-N 2.93Å
635	L	95.6	Very high	94.6	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.147	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-44.8	176.5	-71.8	176.1	0	0	0	111.9	I606 E609 I631 V632 S637 K638 W724	I606-L635 HydrophobicContact CB-CD1 4.44Å; I606-L635 HydrophobicContact CG1-CD1 3.81Å; E609-L635 HydrophobicContact CB-CD1 4.09Å; E609-L635 HydrophobicContact CG-CD1 4.21Å; E609-L635 HydrophobicContact CG-CD2 4.26Å; E609-L635 HydrophobicContact CG-CG 4.4Å; I631-L635 HydrophobicContact CG2-CD1 3.68Å; I631-L635 HydrophobicContact CG2-CG 4.2Å; I631-L635 WeakPolarHBondContact O-CB 3.48Å; I631-L635 WeakPolarHBondContact O-CG 3.35Å; I631-L635 PolarHBondContact O-N 2.94Å; V632-L635 PolarHBondContact O-N 3.47Å; L635-S637 VanDerWaalsContact C-N 3.27Å; L635-S637 PolarHBondContact O-N 3.2Å; L635-K638 HydrophobicContact CD2-CD 4.49Å; L635-K638 PolarHBondContact O-N 3.1Å; L635-W724 HydrophobicContact CB-CE3 4.14Å; L635-W724 HydrophobicContact CB-CZ3 3.8Å
636	K	94.3	Very high	94.8	Very high	14 Å²	14	38.4 Å²	38.4	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-56.5	-42.9	175.8	-160.5	169.3	-167.8	171.7	0	110.6	T315 V632 P633 K638 T639 A668 L669 W724	T315-K636 PolarHBondContact OG1-NZ 3.03Å; V632-K636 VanDerWaalsContact O-CB 3.26Å; V632-K636 WeakPolarHBondContact O-CB 3.37Å; V632-K636 PolarHBondContact O-N 3.33Å; P633-K636 PolarHBondContact O-N 3.37Å; K636-K638 VanDerWaalsContact C-N 3.32Å; K636-K638 PolarHBondContact O-N 3.01Å; K636-T639 VanDerWaalsContact O-CB 3.29Å; K636-T639 WeakPolarHBondContact O-CB 3.38Å; K636-T639 PolarHBondContact O-N 2.79Å; K636-T639 PolarHBondContact O-OG1 3.29Å; K636-A668 CarbonylContact C-O 3.6Å; K636-L669 HydrophobicContact CG-CD2 3.99Å; K636-L669 WeakPolarHBondContact O-CA 3.2Å; K636-W724 HydrophobicContact CB-CD2 4.43Å; K636-W724 HydrophobicContact CB-CE3 4.4Å; K636-W724 HydrophobicContact CB-CH2 4.37Å; K636-W724 HydrophobicContact CB-CZ2 4.35Å; K636-W724 HydrophobicContact CB-CZ3 4.38Å; K636-W724 HydrophobicContact CD-CZ2 4.16Å; K636-W724 HydrophobicContact CG-CD2 4.43Å; K636-W724 HydrophobicContact CG-CZ2 4.29Å
637	S	95.7	Very high	94.8	Very high	45 Å²	45	38 Å²	38	32%	0.315	20%	0.197	S	C	.	.	H	α-helix	trans	-68.3	-20.2	-178.7	76.5	0	0	0	0	115.7	P633 E634 L635 T639 A668 L669 G670	P633-S637 VanDerWaalsContact O-CB 3.25Å; P633-S637 WeakPolarHBondContact O-CB 3.39Å; P633-S637 PolarHBondContact O-N 3.13Å; P633-S637 PolarHBondContact O-OG 3.3Å; E634-S637 PolarHBondContact O-N 2.95Å; E634-S637 PolarHBondContact O-OG 3Å; L635-S637 VanDerWaalsContact C-N 3.27Å; L635-S637 PolarHBondContact O-N 3.2Å; S637-T639 PolarHBondContact O-N 3.21Å; S637-A668 WeakPolarHBondContact CA-O 3.42Å; S637-A668 PolarHBondContact N-O 3Å; S637-L669 CarbonylContact O-C 3.46Å; S637-L669 VanDerWaalsContact O-O 3.1Å; S637-G670 WeakPolarHBondContact O-CA 3.29Å
638	K	95.4	Very high	94.6	Very high	109 Å²	109	37.1 Å²	37.1	47%	0.474	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.1	175.5	-68.8	167.6	-172.8	175.4	0	112.6	E634 L635 K636	E634-K638 WeakPolarHBondContact O-CG 3.41Å; E634-K638 PolarHBondContact O-N 2.93Å; L635-K638 HydrophobicContact CD2-CD 4.49Å; L635-K638 PolarHBondContact O-N 3.1Å; K636-K638 VanDerWaalsContact C-N 3.32Å; K636-K638 PolarHBondContact O-N 3.01Å
639	T	95.1	Very high	94.2	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.104	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-47.6	-171.4	-54.2	0	0	0	0	113.5	K636 S637 L669 C720 E725	K636-T639 VanDerWaalsContact O-CB 3.29Å; K636-T639 WeakPolarHBondContact O-CB 3.38Å; K636-T639 PolarHBondContact O-N 2.79Å; K636-T639 PolarHBondContact O-OG1 3.29Å; S637-T639 PolarHBondContact O-N 3.21Å; T639-L669 HydrophobicContact CG2-CD2 3.96Å; T639-C720 HydrophobicContact CG2-CB 4.39Å; T639-E725 VanDerWaalsContact CG2-N 3.32Å
640	L	95.6	Very high	93.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	27	-179.6	-60.7	179.8	0	0	0	111.5	T643 L669 A671 W716 L717 C720 R726	L640-T643 WeakPolarHBondContact O-CB 3.14Å; L640-T643 PolarHBondContact O-N 3.31Å; L640-T643 PolarHBondContact O-OG1 3.29Å; L640-L669 WeakPolarHBondContact CA-O 3.45Å; L640-L669 HydrophobicContact CB-CB 4.25Å; L640-L669 WeakPolarHBondContact CB-O 3.38Å; L640-L669 HydrophobicContact CD1-CB 3.92Å; L640-L669 HydrophobicContact CD1-CD1 3.95Å; L640-L669 HydrophobicContact CG-CB 4.02Å; L640-L669 PolarHBondContact N-O 3.33Å; L640-A671 HydrophobicContact CB-CB 3.98Å; L640-A671 HydrophobicContact CD1-CB 4.3Å; L640-W716 HydrophobicContact CD1-CH2 4.14Å; L640-W716 HydrophobicContact CD1-CZ3 4.4Å; L640-W716 HydrophobicContact CD2-CH2 3.82Å; L640-W716 HydrophobicContact CD2-CZ2 3.98Å; L640-L717 HydrophobicContact CD1-CD1 3.93Å; L640-C720 HydrophobicContact CD1-CB 4.48Å; L640-C720 HydrophobicContact CD2-CB 4.42Å; L640-R726 HydrophobicContact CD2-CB 3.99Å; L640-R726 HydrophobicContact CD2-CG 3.9Å
641	E	94.2	Very high	93.3	Very high	146 Å²	146	32 Å²	32	68%	0.682	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	142.1	175.3	-171.6	174.9	-178.1	0	0	111.3	T643	E641-T643 PolarHBondContact O-N 2.87Å
642	G	90.8	Very high	92.7	Very high	63 Å²	63	35.9 Å²	35.9	65%	0.649	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	-5.5	-175.1	0	0	0	0	0	115.2
643	T	93.4	Very high	92	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	26%	0.257	C	S	.	.			trans	-83.3	132.2	-179.2	-51.1	0	0	0	0	110.7	L640 E641 V645 A671 K672 T688 H689 W716	L640-T643 WeakPolarHBondContact O-CB 3.14Å; L640-T643 PolarHBondContact O-N 3.31Å; L640-T643 PolarHBondContact O-OG1 3.29Å; E641-T643 PolarHBondContact O-N 2.87Å; T643-V645 HydrophobicContact CG2-CG2 4.06Å; T643-A671 CarbonylContact O-C 3.53Å; T643-A671 WeakPolarHBondContact O-CA 3.33Å; T643-K672 PolarHBondContact O-N 3.45Å; T643-T688 VanDerWaalsContact CG2-OG1 3.31Å; T643-T688 WeakPolarHBondContact CG2-OG1 3.34Å; T643-H689 WeakPolarHBondContact CG2-ND1 3.38Å; T643-W716 HydrophobicContact CG2-CH2 4.44Å
644	T	94.4	Very high	91.4	Very high	10 Å²	10	47.8 Å²	47.8	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.3	169.7	-55.9	0	0	0	0	110.1	K672 R686 T688 H689	T644-K672 CarbonylContact C-O 3.56Å; T644-K672 VanDerWaalsContact CA-O 3.3Å; T644-K672 WeakPolarHBondContact CA-O 3.47Å; T644-K672 HydrophobicContact CG2-CB 4.41Å; T644-R686 VanDerWaalsContact CB-O 3.23Å; T644-R686 WeakPolarHBondContact CB-O 3.48Å; T644-R686 PolarHBondContact OG1-O 3.18Å; T644-T688 PolarHBondContact N-OG1 2.77Å; T644-T688 PolarHBondContact O-N 2.96Å; T644-T688 PolarHBondContact O-OG1 2.93Å; T644-H689 PolarHBondContact O-N 3.22Å
645	V	95	Very high	90.9	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.4	-177.8	174.5	0	0	0	0	110.4	T643 F647 A671 K672 I673 G674 H689 V691 W716	T643-V645 HydrophobicContact CG2-CG2 4.06Å; V645-F647 HydrophobicContact CG1-CD1 4.33Å; V645-F647 HydrophobicContact CG1-CE1 3.88Å; V645-F647 HydrophobicContact CG1-CE2 4.47Å; V645-F647 HydrophobicContact CG1-CZ 3.96Å; V645-A671 HydrophobicContact CG2-CB 3.83Å; V645-K672 PolarHBondContact N-O 3.07Å; V645-I673 WeakPolarHBondContact O-CA 3.4Å; V645-G674 PolarHBondContact O-N 2.84Å; V645-H689 WeakPolarHBondContact CA-O 3.5Å; V645-H689 HydrophobicContact CG2-CB 4.29Å; V645-V691 HydrophobicContact CG1-CB 4.47Å; V645-V691 HydrophobicContact CG1-CG2 3.82Å; V645-W716 HydrophobicContact CG2-CZ3 4.47Å
646	V	93.7	Very high	90.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141	167.7	176.4	0	0	0	0	108.9	S676 L677 T687 H689 L690 V691 K699	V646-S676 WeakPolarHBondContact CG2-O 3.29Å; V646-L677 HydrophobicContact CB-CD2 4.07Å; V646-L677 HydrophobicContact CG1-CD2 4Å; V646-L677 HydrophobicContact CG1-CG 4.49Å; V646-L677 HydrophobicContact CG2-CD2 4.26Å; V646-T687 HydrophobicContact CB-CG2 3.97Å; V646-T687 HydrophobicContact CG2-CG2 3.55Å; V646-T687 WeakPolarHBondContact CG2-OG1 3.28Å; V646-H689 PolarHBondContact N-O 2.76Å; V646-L690 HydrophobicContact CB-CD1 4.16Å; V646-L690 HydrophobicContact CG1-CD1 4.03Å; V646-L690 WeakPolarHBondContact O-CA 3.42Å; V646-L690 WeakPolarHBondContact O-CD1 3.35Å; V646-V691 PolarHBondContact O-N 3.04Å; V646-K699 HydrophobicContact CG1-CD 4.07Å
647	F	93.6	Very high	90.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.9	178.3	-64.7	-60.6	0	0	0	112.7	V645 L650 Y651 M657 E662 F663 A666 I673 V691 K699 L717	V645-F647 HydrophobicContact CG1-CD1 4.33Å; V645-F647 HydrophobicContact CG1-CE1 3.88Å; V645-F647 HydrophobicContact CG1-CE2 4.47Å; V645-F647 HydrophobicContact CG1-CZ 3.96Å; F647-L650 HydrophobicContact CB-CD1 4.09Å; F647-L650 HydrophobicContact CD1-CD1 3.44Å; F647-L650 VanDerWaalsContact CD1-CD1 3.44Å; F647-L650 HydrophobicContact CE1-CD1 4.21Å; F647-L650 HydrophobicContact CG-CD1 4.06Å; F647-Y651 HydrophobicContact CB-CE1 4.01Å; F647-Y651 WeakPolarHBondContact CB-OH 3.35Å; F647-Y651 HydrophobicContact CG-CE1 4.42Å; F647-M657 HydrophobicContact CD2-CE 4.04Å; F647-E662 HydrophobicContact CE1-CB 3.86Å; F647-E662 HydrophobicContact CZ-CB 3.86Å; F647-E662 WeakPolarHBondContact CZ-O 3.48Å; F647-F663 HydrophobicContact CE2-CB 4.37Å; F647-A666 HydrophobicContact CZ-CB 4.05Å; F647-I673 HydrophobicContact CD2-CG2 4.13Å; F647-I673 HydrophobicContact CE2-CD1 4.42Å; F647-I673 HydrophobicContact CE2-CG2 3.86Å; F647-V691 WeakPolarHBondContact CA-O 3.25Å; F647-V691 HydrophobicContact CD1-CB 3.85Å; F647-V691 HydrophobicContact CD1-CG1 4.19Å; F647-V691 HydrophobicContact CE1-CB 4.01Å; F647-V691 HydrophobicContact CE1-CG1 4.2Å; F647-V691 HydrophobicContact CE1-CG2 4.42Å; F647-K699 WeakPolarHBondContact O-CD 3.49Å; F647-K699 PolarHBondContact O-NZ 2.69Å; F647-L717 HydrophobicContact CE1-CD2 4.06Å; F647-L717 HydrophobicContact CZ-CD2 4.23Å
648	S	91.7	Very high	89.9	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.063	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	128	173.3	-167.1	0	0	0	0	114.1	L650 V691 A692 A693 T697	S648-L650 PolarHBondContact O-N 2.75Å; S648-L650 VanDerWaalsContact O-N 3.17Å; S648-V691 PolarHBondContact N-O 2.56Å; S648-A692 VanDerWaalsContact O-CA 3.26Å; S648-A692 WeakPolarHBondContact O-CA 3.45Å; S648-A693 PolarHBondContact O-N 2.89Å; S648-T697 VanDerWaalsContact OG-CB 3.28Å; S648-T697 WeakPolarHBondContact OG-CB 3.44Å; S648-T697 PolarHBondContact OG-OG1 2.57Å
649	G	87.1	Confident	89.6	Confident	38 Å²	38	57.7 Å²	57.7	39%	0.392	31%	0.313	S	S	.	.	S	Bend	trans	66.2	15.1	170.2	0	0	0	0	0	116.1
650	L	85.6	Confident	89.3	Confident	17 Å²	17	57.4 Å²	57.4	9%	0.089	31%	0.312	C	S	.	.	S	Bend	trans	-80.6	-37.1	179.7	-70.5	169.5	0	0	0	113.4	F647 S648 E662 V691 A693 P714	F647-L650 HydrophobicContact CB-CD1 4.09Å; F647-L650 HydrophobicContact CD1-CD1 3.44Å; F647-L650 VanDerWaalsContact CD1-CD1 3.44Å; F647-L650 HydrophobicContact CE1-CD1 4.21Å; F647-L650 HydrophobicContact CG-CD1 4.06Å; S648-L650 PolarHBondContact O-N 2.75Å; S648-L650 VanDerWaalsContact O-N 3.17Å; L650-E662 HydrophobicContact CD1-CG 4.44Å; L650-V691 HydrophobicContact CD1-CG1 4.3Å; L650-A693 HydrophobicContact CD2-CB 3.59Å; L650-A693 HydrophobicContact CG-CB 4.45Å; L650-P714 HydrophobicContact CD2-CB 4.37Å; L650-P714 HydrophobicContact CD2-CG 3.33Å
651	Y	85.4	Confident	89	Confident	53 Å²	53	62.8 Å²	62.8	21%	0.208	33%	0.332	C	S	.	.	S	Bend	trans	-136.6	159.1	-174.2	45.3	-95.3	0	0	0	110.1	F647 M657 T660	F647-Y651 HydrophobicContact CB-CE1 4.01Å; F647-Y651 WeakPolarHBondContact CB-OH 3.35Å; F647-Y651 HydrophobicContact CG-CE1 4.42Å; Y651-M657 HydrophobicContact CE1-CB 4.35Å; Y651-M657 HydrophobicContact CE2-CB 3.78Å; Y651-M657 WeakPolarHBondContact OH-CB 3.26Å; Y651-T660 HydrophobicContact CD1-CG2 3.77Å; Y651-T660 HydrophobicContact CE1-CG2 4.22Å; Y651-T660 HydrophobicContact CG-CG2 4.04Å
652	P	84	Confident	88.9	Confident	82 Å²	82	57 Å²	57	53%	0.532	31%	0.305	S	S	.	.			trans	-58.3	144.3	176.5	-25.9	36.3	0	0	0	113	N654 Y655	P652-N654 WeakPolarHBondContact CB-OD1 3.32Å; P652-N654 PolarHBondContact O-N 2.91Å; P652-N654 VanDerWaalsContact O-N 3.08Å; P652-Y655 WeakPolarHBondContact O-CB 3.24Å; P652-Y655 PolarHBondContact O-N 2.83Å
653	T	80.9	Confident	89	Confident	154 Å²	154	55.8 Å²	55.8	95%	0.945	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.3	-176	-40.5	0	0	0	0	114.1
654	N	81.6	Confident	88.9	Confident	150 Å²	150	60.2 Å²	60.2	80%	0.802	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.4	175.9	64	-35.1	0	0	0	113.9	P652	P652-N654 WeakPolarHBondContact CB-OD1 3.32Å; P652-N654 PolarHBondContact O-N 2.91Å; P652-N654 VanDerWaalsContact O-N 3.08Å
655	Y	86.2	Confident	88.8	Confident	111 Å²	111	59.8 Å²	59.8	44%	0.435	30%	0.296	S	S	.	.	S	Bend	trans	-87.6	130.2	176.5	-165.7	-87.7	0	0	0	110.5	P652 M657 R659 T660	P652-Y655 WeakPolarHBondContact O-CB 3.24Å; P652-Y655 PolarHBondContact O-N 2.83Å; Y655-M657 PolarHBondContact O-N 3.08Å; Y655-R659 HydrophobicContact CE1-CB 3.91Å; Y655-T660 HydrophobicContact CD1-CG2 3.78Å; Y655-T660 HydrophobicContact CE1-CG2 3.7Å
656	P	86.8	Confident	88.8	Confident	54 Å²	54	59.8 Å²	59.8	35%	0.351	30%	0.296	S	S	.	.			trans	-67.6	116.4	178.4	27.7	-34.1	0	0	0	110.4	E658 R659	P656-E658 PolarHBondContact O-N 3.24Å; P656-E658 VanDerWaalsContact O-N 3.16Å; P656-R659 HydrophobicContact CB-CG 4.49Å; P656-R659 HydrophobicContact CG-CB 4.28Å; P656-R659 HydrophobicContact CG-CG 3.96Å; P656-R659 PolarHBondContact O-N 2.87Å
657	M	88.1	Confident	88.8	Confident	19 Å²	19	66.6 Å²	66.6	9%	0.094	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29.5	-176.8	63.4	-175.8	-76.2	0	0	112.9	F647 Y651 Y655 R659 T660 F663 I673 K675	F647-M657 HydrophobicContact CD2-CE 4.04Å; Y651-M657 HydrophobicContact CE1-CB 4.35Å; Y651-M657 HydrophobicContact CE2-CB 3.78Å; Y651-M657 WeakPolarHBondContact OH-CB 3.26Å; Y655-M657 PolarHBondContact O-N 3.08Å; M657-R659 PolarHBondContact O-N 3.37Å; M657-R659 VanDerWaalsContact O-N 3.1Å; M657-T660 PolarHBondContact O-N 3.34Å; M657-F663 HydrophobicContact CE-CD2 3.89Å; M657-F663 HydrophobicContact CE-CE2 4.16Å; M657-F663 HydrophobicContact CG-CD2 4.4Å; M657-F663 WeakPolarHBondContact O-CB 3.11Å; M657-F663 WeakPolarHBondContact O-CG 3.26Å; M657-I673 HydrophobicContact CE-CG2 3.54Å; M657-K675 HydrophobicContact SD-CD 4.44Å; M657-K675 HydrophobicContact SD-CG 3.94Å
658	E	90	Very high	88.8	Confident	86 Å²	86	67.9 Å²	67.9	40%	0.402	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-63	-13.3	177.1	-62.8	84.7	169.6	0	0	113.8	P656 F663 K675	P656-E658 PolarHBondContact O-N 3.24Å; P656-E658 VanDerWaalsContact O-N 3.16Å; E658-F663 HydrophobicContact CB-CE1 4.24Å; E658-F663 HydrophobicContact CB-CZ 4.33Å; E658-F663 HydrophobicContact CG-CE1 4.26Å; E658-F663 HydrophobicContact CG-CE2 4.07Å; E658-F663 HydrophobicContact CG-CZ 3.85Å; E658-K675 WeakPolarHBondContact OE1-CE 3.34Å; E658-K675 IonicContact OE1-NZ 2.7Å; E658-K675 PolarHBondContact OE1-NZ 2.71Å
659	R	88.6	Confident	89	Confident	197 Å²	197	67.4 Å²	67.4	74%	0.743	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-101	1.8	175.3	-62.8	-169.7	179.6	178.8	-3.8	114	Y655 P656 M657	Y655-R659 HydrophobicContact CE1-CB 3.91Å; P656-R659 HydrophobicContact CB-CG 4.49Å; P656-R659 HydrophobicContact CG-CB 4.28Å; P656-R659 HydrophobicContact CG-CG 3.96Å; P656-R659 PolarHBondContact O-N 2.87Å; M657-R659 PolarHBondContact O-N 3.37Å; M657-R659 VanDerWaalsContact O-N 3.1Å
660	T	89.6	Confident	89.4	Confident	12 Å²	12	66.9 Å²	66.9	7%	0.074	33%	0.328	C	S	.	.	S	Bend	trans	-88.5	152.3	179.2	91	0	0	0	0	111.9	Y651 Y655 M657 E662 F663 Y664	Y651-T660 HydrophobicContact CD1-CG2 3.77Å; Y651-T660 HydrophobicContact CE1-CG2 4.22Å; Y651-T660 HydrophobicContact CG-CG2 4.04Å; Y655-T660 HydrophobicContact CD1-CG2 3.78Å; Y655-T660 HydrophobicContact CE1-CG2 3.7Å; M657-T660 PolarHBondContact O-N 3.34Å; T660-E662 VanDerWaalsContact C-N 3.31Å; T660-E662 WeakPolarHBondContact CB-OE2 3.38Å; T660-E662 PolarHBondContact O-N 2.86Å; T660-E662 PolarHBondContact OG1-OE2 2.96Å; T660-F663 PolarHBondContact O-N 3.03Å; T660-F663 PolarHBondContact OG1-N 3.21Å; T660-Y664 PolarHBondContact O-N 3.17Å
661	R	88.3	Confident	89.9	Confident	114 Å²	114	66.4 Å²	66.4	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-43	177.5	-68.6	-172.6	69.6	-176.5	10.2	111.1	E304 F663 Y664 H665 W718	E304-R661 IonicContact OE2-NH2 3.64Å; R661-F663 PolarHBondContact O-N 2.8Å; R661-Y664 PolarHBondContact O-N 3.41Å; R661-Y664 VanDerWaalsContact O-N 3.08Å; R661-H665 VanDerWaalsContact C-CD2 3.5Å; R661-H665 PolarHBondContact NE-NE2 3.35Å; R661-H665 PolarHBondContact O-CD2 3.01Å; R661-H665 PolarHBondContact O-N 2.93Å; R661-W718 HydrophobicContact CB-CH2 3.97Å
662	E	91.4	Very high	90.3	Very high	23 Å²	23	68.9 Å²	68.9	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-57.3	-38.9	179.7	-53.9	87.7	161.1	0	0	111.6	F647 L650 T660 A666 L717 W718	F647-E662 HydrophobicContact CE1-CB 3.86Å; F647-E662 HydrophobicContact CZ-CB 3.86Å; F647-E662 WeakPolarHBondContact CZ-O 3.48Å; L650-E662 HydrophobicContact CD1-CG 4.44Å; T660-E662 VanDerWaalsContact C-N 3.31Å; T660-E662 WeakPolarHBondContact CB-OE2 3.38Å; T660-E662 PolarHBondContact O-N 2.86Å; T660-E662 PolarHBondContact OG1-OE2 2.96Å; E662-A666 WeakPolarHBondContact O-CB 3.39Å; E662-A666 PolarHBondContact O-N 3.14Å; E662-L717 HydrophobicContact CB-CD2 4.11Å; E662-W718 HydrophobicContact CG-CZ2 3.96Å
663	F	92.9	Very high	90.8	Very high	38 Å²	38	66.9 Å²	66.9	17%	0.167	32%	0.323	C	S	.	.	H	α-helix	trans	-66.8	-47	174.2	-178.5	-82.1	0	0	0	112.2	F647 M657 E658 T660 R661 K667 I673	F647-F663 HydrophobicContact CE2-CB 4.37Å; M657-F663 HydrophobicContact CE-CD2 3.89Å; M657-F663 HydrophobicContact CE-CE2 4.16Å; M657-F663 HydrophobicContact CG-CD2 4.4Å; M657-F663 WeakPolarHBondContact O-CB 3.11Å; M657-F663 WeakPolarHBondContact O-CG 3.26Å; E658-F663 HydrophobicContact CB-CE1 4.24Å; E658-F663 HydrophobicContact CB-CZ 4.33Å; E658-F663 HydrophobicContact CG-CE1 4.26Å; E658-F663 HydrophobicContact CG-CE2 4.07Å; E658-F663 HydrophobicContact CG-CZ 3.85Å; T660-F663 PolarHBondContact O-N 3.03Å; T660-F663 PolarHBondContact OG1-N 3.21Å; R661-F663 PolarHBondContact O-N 2.8Å; F663-K667 HydrophobicContact CE1-CD 4.47Å; F663-K667 WeakPolarHBondContact O-CB 3.39Å; F663-K667 PolarHBondContact O-N 3.33Å; F663-K667 VanDerWaalsContact O-N 3.08Å; F663-I673 HydrophobicContact CB-CD1 4.37Å; F663-I673 HydrophobicContact CD1-CD1 4.28Å; F663-I673 HydrophobicContact CD2-CB 4.3Å; F663-I673 HydrophobicContact CD2-CD1 3.52Å; F663-I673 HydrophobicContact CD2-CG2 3.82Å; F663-I673 HydrophobicContact CE1-CD1 4.46Å; F663-I673 HydrophobicContact CE2-CB 4.02Å; F663-I673 HydrophobicContact CE2-CD1 3.73Å; F663-I673 HydrophobicContact CE2-CG1 4.47Å; F663-I673 HydrophobicContact CE2-CG2 3.88Å; F663-I673 HydrophobicContact CG-CD1 3.8Å; F663-I673 HydrophobicContact CZ-CD1 4.2Å; F663-I673 WeakPolarHBondContact O-CD1 3.33Å
664	Y	92.1	Very high	91.2	Very high	96 Å²	96	60.4 Å²	60.4	38%	0.376	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-52.4	178.2	171.8	-107.2	0	0	0	111.7	F309 T660 R661 K667 A668	F309-Y664 AromaticContact CD1-CE1 3.84Å; F309-Y664 HydrophobicContact CD1-CE1 3.84Å; F309-Y664 AromaticContact CD1-CZ 3.76Å; F309-Y664 HydrophobicContact CE1-CE1 4.14Å; T660-Y664 PolarHBondContact O-N 3.17Å; R661-Y664 PolarHBondContact O-N 3.41Å; R661-Y664 VanDerWaalsContact O-N 3.08Å; Y664-K667 PolarHBondContact O-N 3.23Å; Y664-A668 WeakPolarHBondContact O-CB 3.43Å; Y664-A668 PolarHBondContact O-N 3.46Å
665	H	92.5	Very high	91.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-41.1	-178	-58.7	-65.1	0	0	0	112.6	E304 R661 K667 A668 L669 W718 L721	E304-H665 IonicContact OE1-CE1 2.69Å; E304-H665 PolarHBondContact OE1-CE1 2.95Å; E304-H665 IonicContact OE1-ND1 3.17Å; E304-H665 IonicContact OE2-CE1 2.77Å; E304-H665 PolarHBondContact OE2-CE1 3.4Å; E304-H665 IonicContact OE2-NE2 3.6Å; R661-H665 VanDerWaalsContact C-CD2 3.5Å; R661-H665 PolarHBondContact NE-NE2 3.35Å; R661-H665 PolarHBondContact O-CD2 3.01Å; R661-H665 PolarHBondContact O-N 2.93Å; H665-K667 VanDerWaalsContact C-N 3.29Å; H665-K667 PolarHBondContact O-N 2.55Å; H665-A668 PolarHBondContact O-N 3.27Å; H665-L669 WeakPolarHBondContact O-CB 3.41Å; H665-L669 VanDerWaalsContact O-CG 3.31Å; H665-L669 WeakPolarHBondContact O-CG 3.16Å; H665-L669 PolarHBondContact O-N 2.88Å; H665-W718 AromaticContact CD2-CH2 3.48Å; H665-W718 VanDerWaalsContact CD2-CH2 3.48Å; H665-W718 WeakPolarHBondContact CD2-CH2 3.22Å; H665-W718 AromaticContact CD2-CZ3 3.25Å; H665-W718 WeakPolarHBondContact CD2-CZ3 3.32Å; H665-W718 AromaticContact NE2-CH2 3.88Å; H665-W718 AromaticContact NE2-CZ3 3.61Å; H665-L721 HydrophobicContact CB-CD1 4.27Å; H665-L721 HydrophobicContact CB-CD2 4Å
666	A	94.8	Very high	91.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-39.5	175.5	0	0	0	0	0	111.9	F647 E662 L669 G670 A671 I673 L717	F647-A666 HydrophobicContact CZ-CB 4.05Å; E662-A666 WeakPolarHBondContact O-CB 3.39Å; E662-A666 PolarHBondContact O-N 3.14Å; A666-L669 PolarHBondContact O-N 3.01Å; A666-G670 PolarHBondContact O-N 3.31Å; A666-A671 HydrophobicContact CB-CB 4.46Å; A666-A671 VanDerWaalsContact O-CB 3.29Å; A666-A671 WeakPolarHBondContact O-CB 3.41Å; A666-A671 PolarHBondContact O-N 3.2Å; A666-I673 HydrophobicContact CB-CD1 3.97Å; A666-I673 HydrophobicContact CB-CG1 4.37Å; A666-L717 HydrophobicContact CB-CD1 3.97Å; A666-L717 HydrophobicContact CB-CD2 4.11Å
667	K	94.6	Very high	91.2	Very high	144 Å²	144	57.3 Å²	57.3	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-67.6	-41.5	174.6	-172	-173.3	175.2	-166.8	0	111.8	F663 Y664 H665 L669 G670 I673	F663-K667 HydrophobicContact CE1-CD 4.47Å; F663-K667 WeakPolarHBondContact O-CB 3.39Å; F663-K667 PolarHBondContact O-N 3.33Å; F663-K667 VanDerWaalsContact O-N 3.08Å; Y664-K667 PolarHBondContact O-N 3.23Å; H665-K667 VanDerWaalsContact C-N 3.29Å; H665-K667 PolarHBondContact O-N 2.55Å; K667-L669 VanDerWaalsContact C-N 3.26Å; K667-L669 PolarHBondContact O-N 3.35Å; K667-G670 PolarHBondContact O-N 3.26Å; K667-I673 HydrophobicContact CB-CD1 4.04Å
668	A	92.9	Very high	91.1	Very high	28 Å²	28	59.5 Å²	59.5	23%	0.231	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-29.3	177	0	0	0	0	0	113	K636 S637 Y664 H665 G670	K636-A668 CarbonylContact C-O 3.6Å; S637-A668 WeakPolarHBondContact CA-O 3.42Å; S637-A668 PolarHBondContact N-O 3Å; Y664-A668 WeakPolarHBondContact O-CB 3.43Å; Y664-A668 PolarHBondContact O-N 3.46Å; H665-A668 PolarHBondContact O-N 3.27Å; A668-G670 PolarHBondContact O-N 3.17Å
669	L	95.4	Very high	90.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	4.1	171.4	-66.3	170.1	0	0	0	113.6	K636 S637 T639 L640 H665 A666 K667 L717 C720 L721	K636-L669 HydrophobicContact CG-CD2 3.99Å; K636-L669 WeakPolarHBondContact O-CA 3.2Å; S637-L669 CarbonylContact O-C 3.46Å; S637-L669 VanDerWaalsContact O-O 3.1Å; T639-L669 HydrophobicContact CG2-CD2 3.96Å; L640-L669 WeakPolarHBondContact CA-O 3.45Å; L640-L669 HydrophobicContact CB-CB 4.25Å; L640-L669 WeakPolarHBondContact CB-O 3.38Å; L640-L669 HydrophobicContact CD1-CB 3.92Å; L640-L669 HydrophobicContact CD1-CD1 3.95Å; L640-L669 HydrophobicContact CG-CB 4.02Å; L640-L669 PolarHBondContact N-O 3.33Å; H665-L669 WeakPolarHBondContact O-CB 3.41Å; H665-L669 VanDerWaalsContact O-CG 3.31Å; H665-L669 WeakPolarHBondContact O-CG 3.16Å; H665-L669 PolarHBondContact O-N 2.88Å; A666-L669 PolarHBondContact O-N 3.01Å; K667-L669 VanDerWaalsContact C-N 3.26Å; K667-L669 PolarHBondContact O-N 3.35Å; L669-L717 HydrophobicContact CD1-CD1 3.95Å; L669-C720 HydrophobicContact CD1-CB 4.18Å; L669-L721 HydrophobicContact CD1-CB 4.09Å; L669-L721 HydrophobicContact CD1-CD1 4.28Å; L669-L721 HydrophobicContact CD2-CD1 4.17Å; L669-L721 HydrophobicContact CG-CD1 4.24Å
670	G	95.1	Very high	90.4	Very high	27 Å²	27	53 Å²	53	28%	0.278	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	4.9	176.4	0	0	0	0	0	116	S637 A666 K667 A668	S637-G670 WeakPolarHBondContact O-CA 3.29Å; A666-G670 PolarHBondContact O-N 3.31Å; K667-G670 PolarHBondContact O-N 3.26Å; A668-G670 PolarHBondContact O-N 3.17Å
671	A	95.8	Very high	89.6	Confident	7 Å²	7	55 Å²	55	6%	0.058	28%	0.283	C	S	.	.			trans	-73.6	136.9	178.4	0	0	0	0	0	112	L640 T643 V645 A666	L640-A671 HydrophobicContact CB-CB 3.98Å; L640-A671 HydrophobicContact CD1-CB 4.3Å; T643-A671 CarbonylContact O-C 3.53Å; T643-A671 WeakPolarHBondContact O-CA 3.33Å; V645-A671 HydrophobicContact CG2-CB 3.83Å; A666-A671 HydrophobicContact CB-CB 4.46Å; A666-A671 VanDerWaalsContact O-CB 3.29Å; A666-A671 WeakPolarHBondContact O-CB 3.41Å; A666-A671 PolarHBondContact O-N 3.2Å
672	K	94.8	Very high	89	Confident	104 Å²	104	57.1 Å²	57.1	45%	0.452	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.3	165.8	-65.5	177.4	177	179.4	0	109	T643 T644 V645 N685	T643-K672 PolarHBondContact O-N 3.45Å; T644-K672 CarbonylContact C-O 3.56Å; T644-K672 VanDerWaalsContact CA-O 3.3Å; T644-K672 WeakPolarHBondContact CA-O 3.47Å; T644-K672 HydrophobicContact CG2-CB 4.41Å; V645-K672 PolarHBondContact N-O 3.07Å; K672-N685 PolarHBondContact NZ-OD1 2.8Å
673	I	93.5	Very high	88.5	Confident	41 Å²	41	58.3 Å²	58.3	21%	0.21	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.2	-177.5	-52.6	175.8	0	0	0	110.9	V645 F647 M657 F663 A666 K667	V645-I673 WeakPolarHBondContact O-CA 3.4Å; F647-I673 HydrophobicContact CD2-CG2 4.13Å; F647-I673 HydrophobicContact CE2-CD1 4.42Å; F647-I673 HydrophobicContact CE2-CG2 3.86Å; M657-I673 HydrophobicContact CE-CG2 3.54Å; F663-I673 HydrophobicContact CB-CD1 4.37Å; F663-I673 HydrophobicContact CD1-CD1 4.28Å; F663-I673 HydrophobicContact CD2-CB 4.3Å; F663-I673 HydrophobicContact CD2-CD1 3.52Å; F663-I673 HydrophobicContact CD2-CG2 3.82Å; F663-I673 HydrophobicContact CE1-CD1 4.46Å; F663-I673 HydrophobicContact CE2-CB 4.02Å; F663-I673 HydrophobicContact CE2-CD1 3.73Å; F663-I673 HydrophobicContact CE2-CG1 4.47Å; F663-I673 HydrophobicContact CE2-CG2 3.88Å; F663-I673 HydrophobicContact CG-CD1 3.8Å; F663-I673 HydrophobicContact CZ-CD1 4.2Å; F663-I673 WeakPolarHBondContact O-CD1 3.33Å; A666-I673 HydrophobicContact CB-CD1 3.97Å; A666-I673 HydrophobicContact CB-CG1 4.37Å; K667-I673 HydrophobicContact CB-CD1 4.04Å
674	G	89.4	Confident	87.9	Confident	18 Å²	18	61.8 Å²	61.8	19%	0.186	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.6	178.3	0	0	0	0	0	113.2	V645	V645-G674 PolarHBondContact O-N 2.84Å
675	K	85.5	Confident	87.4	Confident	135 Å²	135	60.8 Å²	60.8	59%	0.587	33%	0.333	S	S	*	.	S	Bend	trans	-78.5	-39.3	174	-58.5	-163.7	171.9	-168.1	0	112.1	M657 E658 K699	M657-K675 HydrophobicContact SD-CD 4.44Å; M657-K675 HydrophobicContact SD-CG 3.94Å; E658-K675 WeakPolarHBondContact OE1-CE 3.34Å; E658-K675 IonicContact OE1-NZ 2.7Å; E658-K675 PolarHBondContact OE1-NZ 2.71Å; K675-K699 PolarHBondContact O-NZ 3.34Å
676	S	85	Confident	87.2	Confident	85 Å²	85	65.9 Å²	65.9	59%	0.594	35%	0.352	S	S	*	.	S	Bend	trans	-114.9	159.6	179	-60.2	0	0	0	0	111.1	V646	V646-S676 WeakPolarHBondContact CG2-O 3.29Å
677	L	85.5	Confident	87.1	Confident	30 Å²	30	65.9 Å²	65.9	16%	0.157	35%	0.352	C	S	.	.			trans	-74.5	133.7	171.8	-69.6	174	0	0	0	110.8	V646 L679 T687 L690 K699 Q702 L709	V646-L677 HydrophobicContact CB-CD2 4.07Å; V646-L677 HydrophobicContact CG1-CD2 4Å; V646-L677 HydrophobicContact CG1-CG 4.49Å; V646-L677 HydrophobicContact CG2-CD2 4.26Å; L677-L679 HydrophobicContact CB-CD2 4.03Å; L677-L679 HydrophobicContact CB-CG 4.25Å; L677-L679 HydrophobicContact CD1-CD2 4.46Å; L677-T687 HydrophobicContact CD2-CG2 3.87Å; L677-L690 HydrophobicContact CD2-CD1 4.2Å; L677-L690 HydrophobicContact CD2-CD2 4.46Å; L677-K699 HydrophobicContact CD1-CB 3.85Å; L677-K699 HydrophobicContact CD1-CG 4.16Å; L677-K699 VanDerWaalsContact CD1-O 3.23Å; L677-K699 WeakPolarHBondContact CD1-O 3.25Å; L677-K699 HydrophobicContact CG-CB 4.44Å; L677-K699 HydrophobicContact CG-CG 4.4Å; L677-Q702 HydrophobicContact CD1-CB 4.02Å; L677-L709 HydrophobicContact CD2-CD1 4.25Å
678	I	85.6	Confident	87	Confident	64 Å²	64	60.2 Å²	60.2	33%	0.328	33%	0.33	S	S	.	.			trans	-117.4	97	172.2	-59.2	177.4	0	0	0	107	D683 R686 T687	I678-D683 HydrophobicContact CG2-CB 4.03Å; I678-R686 WeakPolarHBondContact O-CA 3.1Å; I678-T687 PolarHBondContact N-OG1 2.77Å; I678-T687 PolarHBondContact O-N 2.79Å
679	L	82	Confident	87.1	Confident	60 Å²	60	58.9 Å²	58.9	31%	0.314	32%	0.319	S	S	.	.			trans	-91.4	4.5	-172.3	-53.4	177.3	0	0	0	113.4	L677 S681 Q702 C706 H708 L709	L677-L679 HydrophobicContact CB-CD2 4.03Å; L677-L679 HydrophobicContact CB-CG 4.25Å; L677-L679 HydrophobicContact CD1-CD2 4.46Å; L679-S681 PolarHBondContact O-N 3.2Å; L679-Q702 HydrophobicContact CD1-CB 4.27Å; L679-C706 HydrophobicContact CD2-CB 4.49Å; L679-H708 PolarHBondContact O-CE1 2.83Å; L679-L709 HydrophobicContact CD2-CD1 3.66Å
680	N	81.1	Confident	87	Confident	88 Å²	88	58.9 Å²	58.9	47%	0.471	32%	0.319	S	S	.	.			trans	-78.4	108.8	179.5	-179.9	9.3	0	0	0	110.5	Q682 D683 R686	N680-Q682 PolarHBondContact O-N 2.91Å; N680-Q682 PolarHBondContact OD1-N 3.24Å; N680-Q682 VanDerWaalsContact OD1-N 3.1Å; N680-D683 HydrophobicContact CB-CB 4.15Å; N680-D683 WeakPolarHBondContact O-CB 3.34Å; N680-D683 PolarHBondContact O-N 2.7Å; N680-R686 WeakPolarHBondContact O-CB 3.49Å
681	S	73.9	Confident	87	Confident	54 Å²	54	57.6 Å²	57.6	38%	0.378	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.6	177.7	65.3	0	0	0	0	115.1	L679 R686	L679-S681 PolarHBondContact O-N 3.2Å; S681-R686 PolarHBondContact O-NH1 2.9Å
682	Q	74.4	Confident	86.8	Confident	158 Å²	158	57.3 Å²	57.3	74%	0.738	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.4	-177.8	-54.8	-56.8	-61.9	0	0	113.9	N680	N680-Q682 PolarHBondContact O-N 2.91Å; N680-Q682 PolarHBondContact OD1-N 3.24Å; N680-Q682 VanDerWaalsContact OD1-N 3.1Å
683	D	81.6	Confident	86.5	Confident	47 Å²	47	52.5 Å²	52.5	25%	0.251	28%	0.283	S	S	.	.			trans	-84.7	126.5	180	-166.1	-39.1	0	0	0	110.7	I678 N680 N685 R686	I678-D683 HydrophobicContact CG2-CB 4.03Å; N680-D683 HydrophobicContact CB-CB 4.15Å; N680-D683 WeakPolarHBondContact O-CB 3.34Å; N680-D683 PolarHBondContact O-N 2.7Å; D683-N685 PolarHBondContact O-N 3.17Å; D683-N685 WeakPolarHBondContact OD1-CA 3.23Å; D683-N685 WeakPolarHBondContact OD1-CB 3.46Å; D683-N685 PolarHBondContact OD1-N 2.81Å; D683-R686 HydrophobicContact CB-CB 4.3Å; D683-R686 VanDerWaalsContact O-CB 3.3Å; D683-R686 WeakPolarHBondContact O-CB 3.44Å; D683-R686 WeakPolarHBondContact O-CG 3.47Å; D683-R686 PolarHBondContact O-N 2.68Å
684	P	79.4	Confident	86.2	Confident	112 Å²	112	58.1 Å²	58.1	73%	0.727	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-12	175.7	28.9	-36.4	0	0	0	113.9
685	N	82.3	Confident	86.1	Confident	75 Å²	75	58.1 Å²	58.1	40%	0.401	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	19.1	172.5	-60.2	-50.7	0	0	0	112.4	K672 D683	K672-N685 PolarHBondContact NZ-OD1 2.8Å; D683-N685 PolarHBondContact O-N 3.17Å; D683-N685 WeakPolarHBondContact OD1-CA 3.23Å; D683-N685 WeakPolarHBondContact OD1-CB 3.46Å; D683-N685 PolarHBondContact OD1-N 2.81Å
686	R	89.3	Confident	86.1	Confident	106 Å²	106	55.9 Å²	55.9	40%	0.4	31%	0.314	S	S	.	.			trans	-53.8	145.9	174	71.3	-177	-176.2	-117.1	-11.5	111.9	T644 I678 N680 S681 D683 T688	T644-R686 VanDerWaalsContact CB-O 3.23Å; T644-R686 WeakPolarHBondContact CB-O 3.48Å; T644-R686 PolarHBondContact OG1-O 3.18Å; I678-R686 WeakPolarHBondContact O-CA 3.1Å; N680-R686 WeakPolarHBondContact O-CB 3.49Å; S681-R686 PolarHBondContact O-NH1 2.9Å; D683-R686 HydrophobicContact CB-CB 4.3Å; D683-R686 VanDerWaalsContact O-CB 3.3Å; D683-R686 WeakPolarHBondContact O-CB 3.44Å; D683-R686 WeakPolarHBondContact O-CG 3.47Å; D683-R686 PolarHBondContact O-N 2.68Å; R686-T688 PolarHBondContact O-N 3.13Å
687	T	92.2	Very high	86.2	Confident	1 Å²	1	53 Å²	53	1%	0.006	29%	0.293	C	S	.	.			trans	-67.6	123.8	174.5	-55	0	0	0	0	110	V646 L677 I678 H689 L709	V646-T687 HydrophobicContact CB-CG2 3.97Å; V646-T687 HydrophobicContact CG2-CG2 3.55Å; V646-T687 WeakPolarHBondContact CG2-OG1 3.28Å; L677-T687 HydrophobicContact CD2-CG2 3.87Å; I678-T687 PolarHBondContact N-OG1 2.77Å; I678-T687 PolarHBondContact O-N 2.79Å; T687-H689 WeakPolarHBondContact CG2-O 3.18Å; T687-L709 HydrophobicContact CG2-CD1 3.85Å; T687-L709 HydrophobicContact CG2-CG 4.22Å
688	T	92.5	Very high	86.2	Confident	25 Å²	25	56.3 Å²	56.3	15%	0.153	31%	0.308	C	S	.	.			trans	-96.8	-35.5	176.5	60.5	0	0	0	0	112.1	T643 T644 R686 L709 H710	T643-T688 VanDerWaalsContact CG2-OG1 3.31Å; T643-T688 WeakPolarHBondContact CG2-OG1 3.34Å; T644-T688 PolarHBondContact N-OG1 2.77Å; T644-T688 PolarHBondContact O-N 2.96Å; T644-T688 PolarHBondContact O-OG1 2.93Å; R686-T688 PolarHBondContact O-N 3.13Å; T688-L709 WeakPolarHBondContact O-CA 3.4Å; T688-H710 PolarHBondContact O-N 3.21Å
689	H	93.8	Very high	86.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.6	-176.6	-64.9	72.8	0	0	0	110.3	T643 T644 V645 V646 T687 H710 W716 R726 E729	T643-H689 WeakPolarHBondContact CG2-ND1 3.38Å; T644-H689 PolarHBondContact O-N 3.22Å; V645-H689 WeakPolarHBondContact CA-O 3.5Å; V645-H689 HydrophobicContact CG2-CB 4.29Å; V646-H689 PolarHBondContact N-O 2.76Å; T687-H689 WeakPolarHBondContact CG2-O 3.18Å; H689-H710 CarbonylContact C-O 3.07Å; H689-H710 WeakPolarHBondContact CA-O 3.37Å; H689-W716 HydrophobicContact CB-CH2 4.42Å; H689-W716 HydrophobicContact CB-CZ3 4.41Å; H689-W716 AromaticContact CD2-CE2 3.99Å; H689-W716 AromaticContact CD2-CH2 3.39Å; H689-W716 WeakPolarHBondContact CD2-CH2 3.39Å; H689-W716 AromaticContact CD2-CZ2 3.42Å; H689-W716 VanDerWaalsContact CD2-CZ2 3.42Å; H689-W716 WeakPolarHBondContact CD2-CZ2 3.38Å; H689-W716 AromaticContact CD2-CZ3 3.93Å; H689-W716 AromaticContact CG-CH2 3.79Å; H689-W716 AromaticContact NE2-CH2 3.68Å; H689-W716 AromaticContact NE2-CZ2 3.38Å; H689-W716 WeakPolarHBondContact NE2-CZ2 3.39Å; H689-R726 PolarHBondContact CE1-NH2 2.95Å; H689-E729 IonicContact CE1-OE1 2.82Å; H689-E729 WeakPolarHBondContact NE2-CG 3.28Å; H689-E729 IonicContact NE2-OE1 2.69Å; H689-E729 PolarHBondContact NE2-OE1 2.88Å
690	L	94.1	Very high	86.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	102.3	168.1	177.4	60.4	0	0	0	108.2	V646 L677 A692 K699 V700 A703 L709 H710 V711 V712	V646-L690 HydrophobicContact CB-CD1 4.16Å; V646-L690 HydrophobicContact CG1-CD1 4.03Å; V646-L690 WeakPolarHBondContact O-CA 3.42Å; V646-L690 WeakPolarHBondContact O-CD1 3.35Å; L677-L690 HydrophobicContact CD2-CD1 4.2Å; L677-L690 HydrophobicContact CD2-CD2 4.46Å; L690-A692 HydrophobicContact CG-CB 4.4Å; L690-K699 HydrophobicContact CD1-CB 4.29Å; L690-K699 HydrophobicContact CD1-CD 4.41Å; L690-K699 HydrophobicContact CD2-CB 4.12Å; L690-K699 WeakPolarHBondContact CD2-O 3.45Å; L690-V700 HydrophobicContact CD2-CB 4.28Å; L690-V700 HydrophobicContact CD2-CG2 3.72Å; L690-V700 HydrophobicContact CG-CG2 4.39Å; L690-A703 HydrophobicContact CD2-CB 3.53Å; L690-L709 HydrophobicContact CB-CD2 3.7Å; L690-H710 PolarHBondContact N-O 3.38Å; L690-V711 HydrophobicContact CB-CG2 4.46Å; L690-V711 HydrophobicContact CD2-CG2 4.49Å; L690-V712 PolarHBondContact O-N 3.01Å
691	V	94.6	Very high	87.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.5	176	-178.7	0	0	0	0	107.6	V645 V646 F647 S648 L650 V712 P714 W716	V645-V691 HydrophobicContact CG1-CB 4.47Å; V645-V691 HydrophobicContact CG1-CG2 3.82Å; V646-V691 PolarHBondContact O-N 3.04Å; F647-V691 WeakPolarHBondContact CA-O 3.25Å; F647-V691 HydrophobicContact CD1-CB 3.85Å; F647-V691 HydrophobicContact CD1-CG1 4.19Å; F647-V691 HydrophobicContact CE1-CB 4.01Å; F647-V691 HydrophobicContact CE1-CG1 4.2Å; F647-V691 HydrophobicContact CE1-CG2 4.42Å; S648-V691 PolarHBondContact N-O 2.56Å; L650-V691 HydrophobicContact CD1-CG1 4.3Å; V691-V712 WeakPolarHBondContact CA-O 3.36Å; V691-V712 HydrophobicContact CB-CG2 4.48Å; V691-V712 HydrophobicContact CG2-CG2 3.85Å; V691-P714 HydrophobicContact CG1-CB 4.4Å; V691-P714 HydrophobicContact CG1-CG 4.3Å; V691-W716 HydrophobicContact CG2-CE3 4.04Å; V691-W716 HydrophobicContact CG2-CZ3 4.15Å
692	A	92.8	Very high	87.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.2	-170.8	0	0	0	0	0	113	S648 L690 V700 V712 L734	S648-A692 VanDerWaalsContact O-CA 3.26Å; S648-A692 WeakPolarHBondContact O-CA 3.45Å; L690-A692 HydrophobicContact CG-CB 4.4Å; A692-V700 HydrophobicContact CB-CG2 3.6Å; A692-V712 PolarHBondContact N-O 3.43Å; A692-L734 HydrophobicContact CB-CD2 3.86Å; A692-L734 VanDerWaalsContact O-CD1 3.31Å; A692-L734 WeakPolarHBondContact O-CD1 3.38Å
693	A	88.9	Confident	88.3	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.033	25%	0.252	C	S	.	.	S	Bend	trans	-98.1	-6.1	175.8	0	0	0	0	0	114.3	S648 L650 Y738	S648-A693 PolarHBondContact O-N 2.89Å; L650-A693 HydrophobicContact CD2-CB 3.59Å; L650-A693 HydrophobicContact CG-CB 4.45Å; A693-Y738 HydrophobicContact CB-CD1 4.3Å; A693-Y738 HydrophobicContact CB-CE1 4.35Å
694	R	87	Confident	88.3	Confident	159 Å²	159	52 Å²	52	60%	0.6	27%	0.269	S	S	*	.			trans	-144.2	119	-174.5	-64	-176.8	72.2	-179.2	2.6	111.3	G696 T697	R694-G696 PolarHBondContact O-N 3.39Å; R694-T697 HydrophobicContact CB-CG2 3.93Å; R694-T697 WeakPolarHBondContact O-CG2 3.37Å; R694-T697 PolarHBondContact O-N 3.03Å; R694-T697 PolarHBondContact O-OG1 2.94Å
695	A	85.9	Confident	88.2	Confident	18 Å²	18	52.8 Å²	52.8	15%	0.149	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-42.8	-179.9	0	0	0	0	0	112.8	T697 V700 L734 E736	A695-T697 PolarHBondContact O-N 3.14Å; A695-V700 WeakPolarHBondContact O-CB 3.33Å; A695-V700 WeakPolarHBondContact O-CG1 3.34Å; A695-L734 HydrophobicContact CB-CD2 4.34Å; A695-L734 HydrophobicContact CB-CG 4.29Å; A695-E736 HydrophobicContact CB-CG 4.38Å
696	G	85.4	Confident	88.1	Confident	87 Å²	87	50.3 Å²	50.3	90%	0.897	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	29	179.6	0	0	0	0	0	116.1	R694	R694-G696 PolarHBondContact O-N 3.39Å
697	T	87.3	Confident	87.5	Confident	26 Å²	26	55.7 Å²	55.7	16%	0.16	28%	0.281	C	S	.	.	S	Bend	trans	-95.8	141.9	174.2	56.3	0	0	0	0	111	S648 R694 A695 K699 V700 R701	S648-T697 VanDerWaalsContact OG-CB 3.28Å; S648-T697 WeakPolarHBondContact OG-CB 3.44Å; S648-T697 PolarHBondContact OG-OG1 2.57Å; R694-T697 HydrophobicContact CB-CG2 3.93Å; R694-T697 WeakPolarHBondContact O-CG2 3.37Å; R694-T697 PolarHBondContact O-N 3.03Å; R694-T697 PolarHBondContact O-OG1 2.94Å; A695-T697 PolarHBondContact O-N 3.14Å; T697-K699 PolarHBondContact O-N 3.19Å; T697-K699 VanDerWaalsContact O-N 3.17Å; T697-V700 WeakPolarHBondContact O-CA 3.39Å; T697-V700 PolarHBondContact O-N 3.25Å; T697-V700 VanDerWaalsContact OG1-CG2 3.27Å; T697-V700 WeakPolarHBondContact OG1-CG2 3.39Å; T697-R701 PolarHBondContact O-N 2.98Å
698	E	86.9	Confident	86.9	Confident	98 Å²	98	59 Å²	59	46%	0.458	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-33.2	-178.3	176.2	57.2	-165.1	0	0	112.7	R701 Q702	E698-R701 PolarHBondContact O-N 2.9Å; E698-R701 IonicContact OE1-CZ 2.66Å; E698-R701 IonicContact OE1-NE 3.58Å; E698-R701 IonicContact OE1-NH2 3.82Å; E698-R701 PolarHBondContact OE1-NH2 2.74Å; E698-R701 IonicContact OE2-CZ 3.95Å; E698-R701 IonicContact OE2-NE 3.02Å; E698-R701 PolarHBondContact OE2-NE 3.37Å; E698-R701 IonicContact OE2-NH2 3.29Å; E698-R701 PolarHBondContact OE2-NH2 2.84Å; E698-Q702 WeakPolarHBondContact O-CB 3.43Å; E698-Q702 VanDerWaalsContact O-CG 3.27Å; E698-Q702 WeakPolarHBondContact O-CG 3.07Å; E698-Q702 PolarHBondContact O-N 2.81Å; E698-Q702 PolarHBondContact OE1-NE2 2.81Å
699	K	89.3	Confident	86.7	Confident	58 Å²	58	58.5 Å²	58.5	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-46.4	170.6	-70.7	-170.9	177.2	-169.2	0	112.1	V646 F647 K675 L677 L690 T697 Q702 A703	V646-K699 HydrophobicContact CG1-CD 4.07Å; F647-K699 WeakPolarHBondContact O-CD 3.49Å; F647-K699 PolarHBondContact O-NZ 2.69Å; K675-K699 PolarHBondContact O-NZ 3.34Å; L677-K699 HydrophobicContact CD1-CB 3.85Å; L677-K699 HydrophobicContact CD1-CG 4.16Å; L677-K699 VanDerWaalsContact CD1-O 3.23Å; L677-K699 WeakPolarHBondContact CD1-O 3.25Å; L677-K699 HydrophobicContact CG-CB 4.44Å; L677-K699 HydrophobicContact CG-CG 4.4Å; L690-K699 HydrophobicContact CD1-CB 4.29Å; L690-K699 HydrophobicContact CD1-CD 4.41Å; L690-K699 HydrophobicContact CD2-CB 4.12Å; L690-K699 WeakPolarHBondContact CD2-O 3.45Å; T697-K699 PolarHBondContact O-N 3.19Å; T697-K699 VanDerWaalsContact O-N 3.17Å; K699-Q702 PolarHBondContact O-N 2.96Å; K699-A703 WeakPolarHBondContact O-CB 3.37Å; K699-A703 PolarHBondContact O-N 3.3Å
700	V	89.9	Confident	86.6	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.1	-42.7	178.5	168	0	0	0	0	110.7	L690 A692 A695 T697 Q702 A703 Q704 V711 L734	L690-V700 HydrophobicContact CD2-CB 4.28Å; L690-V700 HydrophobicContact CD2-CG2 3.72Å; L690-V700 HydrophobicContact CG-CG2 4.39Å; A692-V700 HydrophobicContact CB-CG2 3.6Å; A695-V700 WeakPolarHBondContact O-CB 3.33Å; A695-V700 WeakPolarHBondContact O-CG1 3.34Å; T697-V700 WeakPolarHBondContact O-CA 3.39Å; T697-V700 PolarHBondContact O-N 3.25Å; T697-V700 VanDerWaalsContact OG1-CG2 3.27Å; T697-V700 WeakPolarHBondContact OG1-CG2 3.39Å; V700-Q702 VanDerWaalsContact C-N 3.34Å; V700-Q702 PolarHBondContact O-N 2.84Å; V700-A703 PolarHBondContact O-N 3.07Å; V700-A703 VanDerWaalsContact O-N 3.07Å; V700-Q704 HydrophobicContact CG1-CG 4.17Å; V700-Q704 WeakPolarHBondContact O-CG 3.49Å; V700-Q704 PolarHBondContact O-N 3.34Å; V700-V711 HydrophobicContact CG1-CG1 4.09Å; V700-V711 HydrophobicContact CG2-CG1 4.16Å; V700-L734 HydrophobicContact CG1-CD2 4.06Å; V700-L734 HydrophobicContact CG2-CD2 3.73Å
701	R	87.7	Confident	86.6	Confident	123 Å²	123	63.7 Å²	63.7	46%	0.464	32%	0.319	S	S	.	.	H	α-helix	trans	-58.2	-44.1	176.5	-162.2	-165.3	63.7	67.6	2.5	112.2	T697 E698 A703	T697-R701 PolarHBondContact O-N 2.98Å; E698-R701 PolarHBondContact O-N 2.9Å; E698-R701 IonicContact OE1-CZ 2.66Å; E698-R701 IonicContact OE1-NE 3.58Å; E698-R701 IonicContact OE1-NH2 3.82Å; E698-R701 PolarHBondContact OE1-NH2 2.74Å; E698-R701 IonicContact OE2-CZ 3.95Å; E698-R701 IonicContact OE2-NE 3.02Å; E698-R701 PolarHBondContact OE2-NE 3.37Å; E698-R701 IonicContact OE2-NH2 3.29Å; E698-R701 PolarHBondContact OE2-NH2 2.84Å; R701-A703 VanDerWaalsContact C-N 3.33Å
702	Q	85.9	Confident	86.5	Confident	70 Å²	70	63.8 Å²	63.8	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-67.2	-31.1	175	-70.6	173.5	11.3	0	0	113.3	L677 L679 E698 K699 V700	L677-Q702 HydrophobicContact CD1-CB 4.02Å; L679-Q702 HydrophobicContact CD1-CB 4.27Å; E698-Q702 WeakPolarHBondContact O-CB 3.43Å; E698-Q702 VanDerWaalsContact O-CG 3.27Å; E698-Q702 WeakPolarHBondContact O-CG 3.07Å; E698-Q702 PolarHBondContact O-N 2.81Å; E698-Q702 PolarHBondContact OE1-NE2 2.81Å; K699-Q702 PolarHBondContact O-N 2.96Å; V700-Q702 VanDerWaalsContact C-N 3.34Å; V700-Q702 PolarHBondContact O-N 2.84Å
703	A	87.1	Confident	86.6	Confident	2 Å²	2	64.4 Å²	64.4	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-79.8	-30.8	179.7	0	0	0	0	0	113.5	L690 K699 V700 R701 D705 C706 L709 V711	L690-A703 HydrophobicContact CD2-CB 3.53Å; K699-A703 WeakPolarHBondContact O-CB 3.37Å; K699-A703 PolarHBondContact O-N 3.3Å; V700-A703 PolarHBondContact O-N 3.07Å; V700-A703 VanDerWaalsContact O-N 3.07Å; R701-A703 VanDerWaalsContact C-N 3.33Å; A703-D705 PolarHBondContact O-N 3.44Å; A703-C706 WeakPolarHBondContact O-CB 3.46Å; A703-C706 PolarHBondContact O-N 3.35Å; A703-L709 HydrophobicContact CB-CD1 3.99Å; A703-L709 HydrophobicContact CB-CD2 3.78Å; A703-V711 HydrophobicContact CB-CG2 3.71Å
704	Q	82.5	Confident	86.7	Confident	129 Å²	129	64.6 Å²	64.6	60%	0.603	32%	0.324	S	S	*	.	H	α-helix	trans	-60.5	-31.2	177.2	-78.3	168.9	-20.9	0	0	112.9	V700 C706	V700-Q704 HydrophobicContact CG1-CG 4.17Å; V700-Q704 WeakPolarHBondContact O-CG 3.49Å; V700-Q704 PolarHBondContact O-N 3.34Å; Q704-C706 PolarHBondContact O-N 3.17Å
705	D	77.4	Confident	86.9	Confident	128 Å²	128	60 Å²	60	68%	0.684	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.1	173.7	-67.1	-37.4	0	0	0	113	A703	A703-D705 PolarHBondContact O-N 3.44Å
706	C	80	Confident	87.4	Confident	22 Å²	22	59.1 Å²	59.1	15%	0.149	30%	0.304	C	S	.	.			trans	-108.9	94.1	-169	-67.1	0	0	0	0	113.6	L679 A703 Q704 H708 L709	L679-C706 HydrophobicContact CD2-CB 4.49Å; A703-C706 WeakPolarHBondContact O-CB 3.46Å; A703-C706 PolarHBondContact O-N 3.35Å; Q704-C706 PolarHBondContact O-N 3.17Å; C706-H708 PolarHBondContact O-N 2.92Å; C706-L709 HydrophobicContact CB-CB 4.29Å; C706-L709 PolarHBondContact O-N 3.07Å
707	K	75.2	Confident	87.8	Confident	220 Å²	220	55 Å²	55	96%	0.957	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	3	179.5	-60.5	-172.3	177.9	-174.9	0	117.7
708	H	80.8	Confident	88.1	Confident	69 Å²	69	56.2 Å²	56.2	32%	0.319	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	13.1	-176.8	68.7	-90.4	0	0	0	112.9	L679 C706	L679-H708 PolarHBondContact O-CE1 2.83Å; C706-H708 PolarHBondContact O-N 2.92Å
709	L	88.6	Confident	88.3	Confident	16 Å²	16	52.4 Å²	52.4	8%	0.084	25%	0.247	C	C	.	.	S	Bend	trans	-131.2	126.8	-175.8	-175.5	170.4	0	0	0	108.6	L677 L679 T687 T688 L690 A703 C706 V711	L677-L709 HydrophobicContact CD2-CD1 4.25Å; L679-L709 HydrophobicContact CD2-CD1 3.66Å; T687-L709 HydrophobicContact CG2-CD1 3.85Å; T687-L709 HydrophobicContact CG2-CG 4.22Å; T688-L709 WeakPolarHBondContact O-CA 3.4Å; L690-L709 HydrophobicContact CB-CD2 3.7Å; A703-L709 HydrophobicContact CB-CD1 3.99Å; A703-L709 HydrophobicContact CB-CD2 3.78Å; C706-L709 HydrophobicContact CB-CB 4.29Å; C706-L709 PolarHBondContact O-N 3.07Å; L709-V711 HydrophobicContact CD2-CG2 3.91Å
710	H	91.5	Very high	88.6	Confident	72 Å²	72	49.6 Å²	49.6	33%	0.333	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.4	-177.9	-60.1	-106.5	0	0	0	110.3	T688 H689 L690 V712 E729	T688-H710 PolarHBondContact O-N 3.21Å; H689-H710 CarbonylContact C-O 3.07Å; H689-H710 WeakPolarHBondContact CA-O 3.37Å; L690-H710 PolarHBondContact N-O 3.38Å; H710-V712 HydrophobicContact CB-CG1 4.36Å; H710-E729 HydrophobicContact CB-CB 4.04Å; H710-E729 HydrophobicContact CB-CG 3.9Å; H710-E729 IonicContact CE1-OE2 2.7Å; H710-E729 WeakPolarHBondContact ND1-CB 3.3Å; H710-E729 IonicContact ND1-OE2 3.54Å
711	V	92.8	Very high	88.7	Confident	37 Å²	37	50.2 Å²	50.2	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105.9	174.9	-177.1	0	0	0	0	108.6	L690 V700 A703 L709 L734	L690-V711 HydrophobicContact CB-CG2 4.46Å; L690-V711 HydrophobicContact CD2-CG2 4.49Å; V700-V711 HydrophobicContact CG1-CG1 4.09Å; V700-V711 HydrophobicContact CG2-CG1 4.16Å; A703-V711 HydrophobicContact CB-CG2 3.71Å; L709-V711 HydrophobicContact CD2-CG2 3.91Å; V711-L734 HydrophobicContact CG1-CB 4.14Å; V711-L734 HydrophobicContact CG1-CD2 3.78Å
712	V	93.9	Very high	88.9	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.2	-171.9	-65.4	0	0	0	0	111.6	L690 V691 A692 H710 W716 E729 Y732	L690-V712 PolarHBondContact O-N 3.01Å; V691-V712 WeakPolarHBondContact CA-O 3.36Å; V691-V712 HydrophobicContact CB-CG2 4.48Å; V691-V712 HydrophobicContact CG2-CG2 3.85Å; A692-V712 PolarHBondContact N-O 3.43Å; H710-V712 HydrophobicContact CB-CG1 4.36Å; V712-W716 HydrophobicContact CB-CB 4.01Å; V712-W716 HydrophobicContact CB-CG 4.23Å; V712-W716 HydrophobicContact CG1-CG 4.29Å; V712-W716 HydrophobicContact CG2-CB 4.09Å; V712-W716 HydrophobicContact CG2-CD2 4.01Å; V712-W716 HydrophobicContact CG2-CE3 3.85Å; V712-W716 HydrophobicContact CG2-CG 4.12Å; V712-E729 HydrophobicContact CG1-CB 3.79Å; V712-E729 HydrophobicContact CG1-CG 4.32Å; V712-Y732 WeakPolarHBondContact CA-O 3.46Å
713	N	93.6	Very high	89.2	Confident	14 Å²	14	44.3 Å²	44.3	8%	0.075	22%	0.215	C	C	.	.			trans	-76.8	169.5	167.7	83.2	0.7	0	0	0	111.4	D715 W716 Y732 Y738	N713-D715 VanDerWaalsContact C-N 3.27Å; N713-D715 PolarHBondContact ND2-OD2 2.92Å; N713-D715 PolarHBondContact O-N 3.38Å; N713-D715 WeakPolarHBondContact OD1-CA 3.26Å; N713-D715 WeakPolarHBondContact OD1-CB 3.41Å; N713-D715 PolarHBondContact OD1-N 2.97Å; N713-W716 WeakPolarHBondContact O-CB 3.16Å; N713-W716 PolarHBondContact OD1-N 3.17Å; N713-Y732 PolarHBondContact N-O 2.8Å; N713-Y738 HydrophobicContact CB-CD2 4.2Å; N713-Y738 HydrophobicContact CB-CE1 4.3Å; N713-Y738 HydrophobicContact CB-CE2 3.9Å; N713-Y738 WeakPolarHBondContact ND2-CE2 3.49Å
714	P	92.3	Very high	89.5	Confident	7 Å²	7	44.7 Å²	44.7	5%	0.045	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-29.3	174.6	-29.8	39.8	0	0	0	115.5	L650 V691 W716 L717 W718 Y738	L650-P714 HydrophobicContact CD2-CB 4.37Å; L650-P714 HydrophobicContact CD2-CG 3.33Å; V691-P714 HydrophobicContact CG1-CB 4.4Å; V691-P714 HydrophobicContact CG1-CG 4.3Å; P714-W716 PolarHBondContact O-N 2.85Å; P714-L717 WeakPolarHBondContact O-CB 3.37Å; P714-L717 PolarHBondContact O-N 3.08Å; P714-W718 PolarHBondContact O-N 3.26Å; P714-W718 VanDerWaalsContact O-N 3.17Å; P714-Y738 VanDerWaalsContact CD-CE1 3.49Å; P714-Y738 WeakPolarHBondContact CD-OH 3.5Å; P714-Y738 HydrophobicContact CG-CE1 4.1Å
715	D	91.6	Very high	90	Very high	62 Å²	62	39.9 Å²	39.9	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-67.1	-21.3	-174.6	-45	-44.6	0	0	0	111.8	N713 S719 Y732 Y738	N713-D715 VanDerWaalsContact C-N 3.27Å; N713-D715 PolarHBondContact ND2-OD2 2.92Å; N713-D715 PolarHBondContact O-N 3.38Å; N713-D715 WeakPolarHBondContact OD1-CA 3.26Å; N713-D715 WeakPolarHBondContact OD1-CB 3.41Å; N713-D715 PolarHBondContact OD1-N 2.97Å; D715-S719 VanDerWaalsContact O-CB 3.22Å; D715-S719 WeakPolarHBondContact O-CB 3.19Å; D715-S719 PolarHBondContact O-N 3.38Å; D715-S719 PolarHBondContact O-OG 3.45Å; D715-Y732 HydrophobicContact CB-CD1 4.06Å; D715-Y732 HydrophobicContact CB-CE1 4.26Å; D715-Y738 PolarHBondContact OD1-OH 2.79Å; D715-Y738 WeakPolarHBondContact OD2-CE2 3.17Å; D715-Y738 PolarHBondContact OD2-OH 2.94Å
716	W	94.9	Very high	90.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.6	-49.3	165.5	177.2	74.9	0	0	0	112.2	L640 T643 V645 H689 V691 V712 N713 P714 S719 C720 R726 V727 E729 Y732	L640-W716 HydrophobicContact CD1-CH2 4.14Å; L640-W716 HydrophobicContact CD1-CZ3 4.4Å; L640-W716 HydrophobicContact CD2-CH2 3.82Å; L640-W716 HydrophobicContact CD2-CZ2 3.98Å; T643-W716 HydrophobicContact CG2-CH2 4.44Å; V645-W716 HydrophobicContact CG2-CZ3 4.47Å; H689-W716 HydrophobicContact CB-CH2 4.42Å; H689-W716 HydrophobicContact CB-CZ3 4.41Å; H689-W716 AromaticContact CD2-CE2 3.99Å; H689-W716 AromaticContact CD2-CH2 3.39Å; H689-W716 WeakPolarHBondContact CD2-CH2 3.39Å; H689-W716 AromaticContact CD2-CZ2 3.42Å; H689-W716 VanDerWaalsContact CD2-CZ2 3.42Å; H689-W716 WeakPolarHBondContact CD2-CZ2 3.38Å; H689-W716 AromaticContact CD2-CZ3 3.93Å; H689-W716 AromaticContact CG-CH2 3.79Å; H689-W716 AromaticContact NE2-CH2 3.68Å; H689-W716 AromaticContact NE2-CZ2 3.38Å; H689-W716 WeakPolarHBondContact NE2-CZ2 3.39Å; V691-W716 HydrophobicContact CG2-CE3 4.04Å; V691-W716 HydrophobicContact CG2-CZ3 4.15Å; V712-W716 HydrophobicContact CB-CB 4.01Å; V712-W716 HydrophobicContact CB-CG 4.23Å; V712-W716 HydrophobicContact CG1-CG 4.29Å; V712-W716 HydrophobicContact CG2-CB 4.09Å; V712-W716 HydrophobicContact CG2-CD2 4.01Å; V712-W716 HydrophobicContact CG2-CE3 3.85Å; V712-W716 HydrophobicContact CG2-CG 4.12Å; N713-W716 WeakPolarHBondContact O-CB 3.16Å; N713-W716 PolarHBondContact OD1-N 3.17Å; P714-W716 PolarHBondContact O-N 2.85Å; W716-S719 PolarHBondContact O-N 2.87Å; W716-C720 PolarHBondContact O-N 3.04Å; W716-C720 PolarHBondContact O-SG 2.98Å; W716-R726 HydrophobicContact CZ2-CG 4.22Å; W716-V727 PolarHBondContact NE1-O 3.36Å; W716-E729 HydrophobicContact CZ2-CG 4.42Å; W716-Y732 HydrophobicContact CB-CD1 4.11Å; W716-Y732 HydrophobicContact CB-CD2 4.06Å; W716-Y732 HydrophobicContact CB-CG 3.68Å; W716-Y732 AromaticContact CD1-CD2 3.73Å; W716-Y732 HydrophobicContact CG-CD2 4.32Å; W716-Y732 HydrophobicContact CG-CG 4.4Å; W716-Y732 VanDerWaalsContact N-CD1 3.28Å
717	L	94.6	Very high	91.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-68.1	-39.1	-178.8	177	63.1	0	0	0	111.1	L640 F647 E662 A666 L669 P714 C720 L721	L640-L717 HydrophobicContact CD1-CD1 3.93Å; F647-L717 HydrophobicContact CE1-CD2 4.06Å; F647-L717 HydrophobicContact CZ-CD2 4.23Å; E662-L717 HydrophobicContact CB-CD2 4.11Å; A666-L717 HydrophobicContact CB-CD1 3.97Å; A666-L717 HydrophobicContact CB-CD2 4.11Å; L669-L717 HydrophobicContact CD1-CD1 3.95Å; P714-L717 WeakPolarHBondContact O-CB 3.37Å; P714-L717 PolarHBondContact O-N 3.08Å; L717-C720 PolarHBondContact O-N 3.18Å; L717-L721 PolarHBondContact O-N 3.2Å
718	W	92.6	Very high	92.3	Very high	52 Å²	52	30.8 Å²	30.8	20%	0.197	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-44.2	174.5	-60.4	122.8	0	0	0	111.6	R661 E662 H665 P714 C720 L721 E722	R661-W718 HydrophobicContact CB-CH2 3.97Å; E662-W718 HydrophobicContact CG-CZ2 3.96Å; H665-W718 AromaticContact CD2-CH2 3.48Å; H665-W718 VanDerWaalsContact CD2-CH2 3.48Å; H665-W718 WeakPolarHBondContact CD2-CH2 3.22Å; H665-W718 AromaticContact CD2-CZ3 3.25Å; H665-W718 WeakPolarHBondContact CD2-CZ3 3.32Å; H665-W718 AromaticContact NE2-CH2 3.88Å; H665-W718 AromaticContact NE2-CZ3 3.61Å; P714-W718 PolarHBondContact O-N 3.26Å; P714-W718 VanDerWaalsContact O-N 3.17Å; W718-C720 VanDerWaalsContact C-N 3.29Å; W718-C720 PolarHBondContact O-N 2.93Å; W718-L721 HydrophobicContact CE3-CD2 3.87Å; W718-L721 HydrophobicContact CZ3-CD2 3.9Å; W718-L721 CarbonylContact O-C 3.59Å; W718-L721 WeakPolarHBondContact O-CA 3.34Å; W718-L721 WeakPolarHBondContact O-CB 3.13Å; W718-L721 PolarHBondContact O-N 2.84Å; W718-E722 WeakPolarHBondContact O-CG 3.16Å; W718-E722 PolarHBondContact O-N 3.1Å
719	S	92.7	Very high	92.9	Very high	17 Å²	17	28.8 Å²	28.8	12%	0.119	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-34.2	175.5	-58.5	0	0	0	0	112.6	D715 W716 E722 R723 Y732	D715-S719 VanDerWaalsContact O-CB 3.22Å; D715-S719 WeakPolarHBondContact O-CB 3.19Å; D715-S719 PolarHBondContact O-N 3.38Å; D715-S719 PolarHBondContact O-OG 3.45Å; W716-S719 PolarHBondContact O-N 2.87Å; S719-E722 PolarHBondContact O-N 3.28Å; S719-R723 PolarHBondContact O-N 3.49Å; S719-R723 VanDerWaalsContact O-N 3.12Å; S719-Y732 WeakPolarHBondContact CB-OH 3.43Å; S719-Y732 VanDerWaalsContact OG-CE1 3.26Å; S719-Y732 WeakPolarHBondContact OG-CE1 3.46Å; S719-Y732 VanDerWaalsContact OG-CZ 3.32Å; S719-Y732 PolarHBondContact OG-OH 3.42Å
720	C	94.4	Very high	92.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-40.9	170.7	-66	0	0	0	0	112.1	T639 L640 L669 W716 L717 W718 W724 E725	T639-C720 HydrophobicContact CG2-CB 4.39Å; L640-C720 HydrophobicContact CD1-CB 4.48Å; L640-C720 HydrophobicContact CD2-CB 4.42Å; L669-C720 HydrophobicContact CD1-CB 4.18Å; W716-C720 PolarHBondContact O-N 3.04Å; W716-C720 PolarHBondContact O-SG 2.98Å; L717-C720 PolarHBondContact O-N 3.18Å; W718-C720 VanDerWaalsContact C-N 3.29Å; W718-C720 PolarHBondContact O-N 2.93Å; C720-W724 WeakPolarHBondContact O-CA 3.35Å; C720-W724 PolarHBondContact O-N 3.38Å; C720-E725 VanDerWaalsContact CA-O 3.28Å; C720-E725 WeakPolarHBondContact CA-O 3.28Å
721	L	92.6	Very high	92.9	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.063	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-35.7	176.6	-175.6	66.7	0	0	0	112.5	H665 L669 L717 W718 W724	H665-L721 HydrophobicContact CB-CD1 4.27Å; H665-L721 HydrophobicContact CB-CD2 4Å; L669-L721 HydrophobicContact CD1-CB 4.09Å; L669-L721 HydrophobicContact CD1-CD1 4.28Å; L669-L721 HydrophobicContact CD2-CD1 4.17Å; L669-L721 HydrophobicContact CG-CD1 4.24Å; L717-L721 PolarHBondContact O-N 3.2Å; W718-L721 HydrophobicContact CE3-CD2 3.87Å; W718-L721 HydrophobicContact CZ3-CD2 3.9Å; W718-L721 CarbonylContact O-C 3.59Å; W718-L721 WeakPolarHBondContact O-CA 3.34Å; W718-L721 WeakPolarHBondContact O-CB 3.13Å; W718-L721 PolarHBondContact O-N 2.84Å; L721-W724 PolarHBondContact O-NE1 2.78Å
722	E	91.8	Very high	92.8	Very high	48 Å²	48	33.7 Å²	33.7	22%	0.224	16%	0.155	C	C	.	.	H	α-helix	trans	-77.3	-31.2	-178.3	-71.7	174.4	-160.7	0	0	113.4	K317 W718 S719	K317-E722 HydrophobicContact CB-CG 4.04Å; K317-E722 WeakPolarHBondContact CD-OE2 3.42Å; K317-E722 HydrophobicContact CG-CG 4.46Å; W718-E722 WeakPolarHBondContact O-CG 3.16Å; W718-E722 PolarHBondContact O-N 3.1Å; S719-E722 PolarHBondContact O-N 3.28Å
723	R	92	Very high	92.7	Very high	21 Å²	21	36.7 Å²	36.7	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-102.7	-14.7	-177.1	-60.4	-172.7	177.6	164.2	1.4	114.4	D594 Y598 R605 S719 E725 G786	D594-R723 IonicContact OD2-NH2 2.7Å; Y598-R723 HydrophobicContact CD1-CG 3.95Å; Y598-R723 HydrophobicContact CD2-CG 4Å; Y598-R723 HydrophobicContact CE1-CG 4.42Å; Y598-R723 HydrophobicContact CE2-CG 4.46Å; Y598-R723 VanDerWaalsContact CE2-NE 3.34Å; Y598-R723 HydrophobicContact CG-CG 3.75Å; Y598-R723 VanDerWaalsContact CZ-NE 3.28Å; Y598-R723 PolarHBondContact OH-NH2 2.98Å; Y598-R723 VanDerWaalsContact OH-NH2 3.16Å; R605-R723 PolarHBondContact NH2-O 3.28Å; S719-R723 PolarHBondContact O-N 3.49Å; S719-R723 VanDerWaalsContact O-N 3.12Å; R723-E725 HydrophobicContact CB-CB 4.08Å; R723-E725 PolarHBondContact O-N 2.78Å; R723-G786 PolarHBondContact NH1-O 3.01Å; R723-G786 PolarHBondContact NH2-O 2.61Å
724	W	93.8	Very high	92.3	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.042	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	50.3	-167.2	-64.4	23.6	0	0	0	110.5	I314 V602 R605 I606 V632 L635 K636 C720 L721	I314-W724 HydrophobicContact CB-CZ2 4.4Å; I314-W724 HydrophobicContact CG1-CH2 4.19Å; I314-W724 HydrophobicContact CG1-CZ2 4Å; I314-W724 HydrophobicContact CG2-CZ2 4Å; V602-W724 HydrophobicContact CG1-CD2 3.79Å; V602-W724 HydrophobicContact CG1-CE3 3.86Å; V602-W724 HydrophobicContact CG1-CG 4.39Å; V602-W724 HydrophobicContact CG1-CH2 3.89Å; V602-W724 HydrophobicContact CG1-CZ2 3.87Å; V602-W724 HydrophobicContact CG1-CZ3 3.9Å; V602-W724 HydrophobicContact CG2-CB 4.12Å; V602-W724 HydrophobicContact CG2-CD2 4.2Å; V602-W724 HydrophobicContact CG2-CG 3.95Å; R605-W724 PolarHBondContact NH1-O 3.35Å; I606-W724 HydrophobicContact CD1-CH2 3.76Å; I606-W724 HydrophobicContact CD1-CZ3 3.92Å; I606-W724 HydrophobicContact CG1-CH2 4.39Å; I606-W724 HydrophobicContact CG1-CZ3 4.11Å; V632-W724 HydrophobicContact CB-CH2 4.4Å; V632-W724 HydrophobicContact CG1-CH2 3.88Å; V632-W724 HydrophobicContact CG1-CZ2 4.44Å; V632-W724 HydrophobicContact CG2-CH2 4.34Å; L635-W724 HydrophobicContact CB-CE3 4.14Å; L635-W724 HydrophobicContact CB-CZ3 3.8Å; K636-W724 HydrophobicContact CB-CD2 4.43Å; K636-W724 HydrophobicContact CB-CE3 4.4Å; K636-W724 HydrophobicContact CB-CH2 4.37Å; K636-W724 HydrophobicContact CB-CZ2 4.35Å; K636-W724 HydrophobicContact CB-CZ3 4.38Å; K636-W724 HydrophobicContact CD-CZ2 4.16Å; K636-W724 HydrophobicContact CG-CD2 4.43Å; K636-W724 HydrophobicContact CG-CZ2 4.29Å; C720-W724 WeakPolarHBondContact O-CA 3.35Å; C720-W724 PolarHBondContact O-N 3.38Å; L721-W724 PolarHBondContact O-NE1 2.78Å
725	E	93.1	Very high	91.9	Very high	27 Å²	27	44 Å²	44	13%	0.126	21%	0.206	C	C	.	.	S	Bend	trans	-149.8	140.9	-177	172.8	170	-103.3	0	0	108.6	T639 C720 R723 V727 R779 Y781	T639-E725 VanDerWaalsContact CG2-N 3.32Å; C720-E725 VanDerWaalsContact CA-O 3.28Å; C720-E725 WeakPolarHBondContact CA-O 3.28Å; R723-E725 HydrophobicContact CB-CB 4.08Å; R723-E725 PolarHBondContact O-N 2.78Å; E725-V727 PolarHBondContact O-N 3.02Å; E725-R779 WeakPolarHBondContact OE1-CD 3.29Å; E725-R779 IonicContact OE1-CZ 3.64Å; E725-R779 IonicContact OE1-NE 2.83Å; E725-R779 IonicContact OE1-NH1 3.15Å; E725-R779 PolarHBondContact OE1-NH1 3.3Å; E725-Y781 PolarHBondContact OE2-OH 3.23Å
726	R	94.1	Very high	90.8	Very high	109 Å²	109	49.2 Å²	49.2	41%	0.411	23%	0.228	S	C	.	.			trans	-75.9	94	169.1	-179.2	172.7	162.7	-167.4	-9.8	109.3	L640 H689 W716 E729	L640-R726 HydrophobicContact CD2-CB 3.99Å; L640-R726 HydrophobicContact CD2-CG 3.9Å; H689-R726 PolarHBondContact CE1-NH2 2.95Å; W716-R726 HydrophobicContact CZ2-CG 4.22Å; R726-E729 IonicContact CZ-OE1 3.45Å; R726-E729 IonicContact NE-OE1 2.76Å; R726-E729 PolarHBondContact NE-OE1 2.95Å; R726-E729 IonicContact NH2-OE1 3.23Å; R726-E729 PolarHBondContact NH2-OE1 2.7Å
727	V	93.3	Very high	89.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.252	C	S	.	.			trans	-67.7	152	177.9	-58.2	0	0	0	0	111.7	W716 E725 E729 Y732	W716-V727 PolarHBondContact NE1-O 3.36Å; E725-V727 PolarHBondContact O-N 3.02Å; V727-E729 PolarHBondContact O-N 3.38Å; V727-Y732 HydrophobicContact CB-CE2 4.16Å; V727-Y732 HydrophobicContact CG2-CD2 4.18Å; V727-Y732 HydrophobicContact CG2-CE2 3.42Å; V727-Y732 VanDerWaalsContact CG2-CE2 3.42Å
728	E	92.9	Very high	87.4	Confident	71 Å²	71	54.9 Å²	54.9	33%	0.332	26%	0.257	S	S	.	.			trans	-62.1	124.8	-175.3	179.4	168.4	-159.8	0	0	112.5	Q730 L731 Y732 Y781	E728-Q730 HydrophobicContact CG-CB 4.05Å; E728-Q730 HydrophobicContact CG-CG 4.17Å; E728-Q730 PolarHBondContact O-N 2.9Å; E728-Q730 PolarHBondContact OE1-NE2 2.94Å; E728-L731 HydrophobicContact CB-CD1 4.18Å; E728-L731 HydrophobicContact CB-CG 4.43Å; E728-L731 PolarHBondContact O-N 3.28Å; E728-Y732 WeakPolarHBondContact O-CD2 3.48Å; E728-Y781 HydrophobicContact CB-CD2 4.13Å; E728-Y781 HydrophobicContact CB-CE2 4.26Å
729	E	92.9	Very high	85.6	Confident	27 Å²	27	56.5 Å²	56.5	13%	0.126	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-66.3	-24	-172.7	-55.6	81.3	-175.1	0	0	112.8	H689 H710 V712 W716 R726 V727 L731 Y732	H689-E729 IonicContact CE1-OE1 2.82Å; H689-E729 WeakPolarHBondContact NE2-CG 3.28Å; H689-E729 IonicContact NE2-OE1 2.69Å; H689-E729 PolarHBondContact NE2-OE1 2.88Å; H710-E729 HydrophobicContact CB-CB 4.04Å; H710-E729 HydrophobicContact CB-CG 3.9Å; H710-E729 IonicContact CE1-OE2 2.7Å; H710-E729 WeakPolarHBondContact ND1-CB 3.3Å; H710-E729 IonicContact ND1-OE2 3.54Å; V712-E729 HydrophobicContact CG1-CB 3.79Å; V712-E729 HydrophobicContact CG1-CG 4.32Å; W716-E729 HydrophobicContact CZ2-CG 4.42Å; R726-E729 IonicContact CZ-OE1 3.45Å; R726-E729 IonicContact NE-OE1 2.76Å; R726-E729 PolarHBondContact NE-OE1 2.95Å; R726-E729 IonicContact NH2-OE1 3.23Å; R726-E729 PolarHBondContact NH2-OE1 2.7Å; V727-E729 PolarHBondContact O-N 3.38Å; E729-L731 PolarHBondContact O-N 3.29Å; E729-Y732 PolarHBondContact O-N 2.94Å
730	Q	90.2	Very high	83.4	Confident	153 Å²	153	64.8 Å²	64.8	72%	0.715	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23.3	-179.1	-57.5	-165	83.3	0	0	113.2	E728 Y732	E728-Q730 HydrophobicContact CG-CB 4.05Å; E728-Q730 HydrophobicContact CG-CG 4.17Å; E728-Q730 PolarHBondContact O-N 2.9Å; E728-Q730 PolarHBondContact OE1-NE2 2.94Å; Q730-Y732 VanDerWaalsContact C-N 3.28Å; Q730-Y732 PolarHBondContact O-N 3.18Å
731	L	90.3	Very high	81.1	Confident	49 Å²	49	69 Å²	69	26%	0.257	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-76.3	-15.4	178.1	-60.8	169.7	0	0	0	112.7	E728 E729 P733 Y781	E728-L731 HydrophobicContact CB-CD1 4.18Å; E728-L731 HydrophobicContact CB-CG 4.43Å; E728-L731 PolarHBondContact O-N 3.28Å; E729-L731 PolarHBondContact O-N 3.29Å; L731-P733 VanDerWaalsContact O-CD 3.26Å; L731-P733 WeakPolarHBondContact O-CD 3.04Å; L731-Y781 HydrophobicContact CD1-CD2 4.46Å; L731-Y781 HydrophobicContact CD1-CG 4.1Å
732	Y	92.1	Very high	78.6	Confident	26 Å²	26	74.4 Å²	74.4	10%	0.102	37%	0.366	C	S	.	.	S	Bend	trans	-120.2	46.4	-171.1	-59.5	-87.3	0	0	0	114.1	V712 N713 D715 W716 S719 V727 E728 E729 Q730	V712-Y732 WeakPolarHBondContact CA-O 3.46Å; N713-Y732 PolarHBondContact N-O 2.8Å; D715-Y732 HydrophobicContact CB-CD1 4.06Å; D715-Y732 HydrophobicContact CB-CE1 4.26Å; W716-Y732 HydrophobicContact CB-CD1 4.11Å; W716-Y732 HydrophobicContact CB-CD2 4.06Å; W716-Y732 HydrophobicContact CB-CG 3.68Å; W716-Y732 AromaticContact CD1-CD2 3.73Å; W716-Y732 HydrophobicContact CG-CD2 4.32Å; W716-Y732 HydrophobicContact CG-CG 4.4Å; W716-Y732 VanDerWaalsContact N-CD1 3.28Å; S719-Y732 WeakPolarHBondContact CB-OH 3.43Å; S719-Y732 VanDerWaalsContact OG-CE1 3.26Å; S719-Y732 WeakPolarHBondContact OG-CE1 3.46Å; S719-Y732 VanDerWaalsContact OG-CZ 3.32Å; S719-Y732 PolarHBondContact OG-OH 3.42Å; V727-Y732 HydrophobicContact CB-CE2 4.16Å; V727-Y732 HydrophobicContact CG2-CD2 4.18Å; V727-Y732 HydrophobicContact CG2-CE2 3.42Å; V727-Y732 VanDerWaalsContact CG2-CE2 3.42Å; E728-Y732 WeakPolarHBondContact O-CD2 3.48Å; E729-Y732 PolarHBondContact O-N 2.94Å; Q730-Y732 VanDerWaalsContact C-N 3.28Å; Q730-Y732 PolarHBondContact O-N 3.18Å
733	P	90.7	Very high	76.5	Confident	63 Å²	63	76.3 Å²	76.3	41%	0.409	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-68.5	142.7	-174.7	31.4	-36.3	0	0	0	111.6	L731 K735	L731-P733 VanDerWaalsContact O-CD 3.26Å; L731-P733 WeakPolarHBondContact O-CD 3.04Å; P733-K735 PolarHBondContact O-N 3.04Å
734	L	86.4	Confident	74.2	Confident	28 Å²	28	79.9 Å²	79.9	15%	0.147	40%	0.4	C	S	.	.			trans	-71.1	94.4	175.3	-179.3	54.6	0	0	0	111.7	A692 A695 V700 V711	A692-L734 HydrophobicContact CB-CD2 3.86Å; A692-L734 VanDerWaalsContact O-CD1 3.31Å; A692-L734 WeakPolarHBondContact O-CD1 3.38Å; A695-L734 HydrophobicContact CB-CD2 4.34Å; A695-L734 HydrophobicContact CB-CG 4.29Å; V700-L734 HydrophobicContact CG1-CD2 4.06Å; V700-L734 HydrophobicContact CG2-CD2 3.73Å; V711-L734 HydrophobicContact CG1-CB 4.14Å; V711-L734 HydrophobicContact CG1-CD2 3.78Å
735	K	82.3	Confident	71.5	Confident	146 Å²	146	83 Å²	83	64%	0.635	42%	0.417	S	S	*	.			trans	-72.1	145.9	173.7	-61.6	174.8	-175	174	0	110.8	P733 D737 Y738	P733-K735 PolarHBondContact O-N 3.04Å; K735-D737 VanDerWaalsContact C-N 3.31Å; K735-D737 PolarHBondContact O-N 3.23Å; K735-Y738 VanDerWaalsContact O-CB 3.27Å; K735-Y738 WeakPolarHBondContact O-CB 3.5Å; K735-Y738 PolarHBondContact O-N 2.81Å
736	E	69.3	Low	68.7	Low	172 Å²	172	83 Å²	83	80%	0.804	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.9	-179.8	-61.6	-167.9	142	0	0	112.4	A695 Y738	A695-E736 HydrophobicContact CB-CG 4.38Å; E736-Y738 VanDerWaalsContact C-N 3.3Å; E736-Y738 PolarHBondContact O-N 2.93Å
737	D	61.2	Low	65.7	Low	92 Å²	92	82.2 Å²	82.2	49%	0.492	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	5.1	177.4	-75.7	-67	0	0	0	115.2	K735 S739 R740	K735-D737 VanDerWaalsContact C-N 3.31Å; K735-D737 PolarHBondContact O-N 3.23Å; D737-S739 PolarHBondContact O-N 3.08Å; D737-R740 WeakPolarHBondContact O-CB 3.48Å; D737-R740 PolarHBondContact O-N 3.39Å; D737-R740 WeakPolarHBondContact OD1-CD 3.26Å; D737-R740 IonicContact OD1-CZ 2.73Å; D737-R740 IonicContact OD1-NE 2.98Å; D737-R740 IonicContact OD1-NH1 3.88Å; D737-R740 PolarHBondContact OD1-NH1 2.95Å
738	Y	57	Low	62.9	Low	28 Å²	28	85.8 Å²	85.8	11%	0.11	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.9	-171.5	-174.1	-99.8	0	0	0	114.8	A693 N713 P714 D715 K735 E736 R740 T741	A693-Y738 HydrophobicContact CB-CD1 4.3Å; A693-Y738 HydrophobicContact CB-CE1 4.35Å; N713-Y738 HydrophobicContact CB-CD2 4.2Å; N713-Y738 HydrophobicContact CB-CE1 4.3Å; N713-Y738 HydrophobicContact CB-CE2 3.9Å; N713-Y738 WeakPolarHBondContact ND2-CE2 3.49Å; P714-Y738 VanDerWaalsContact CD-CE1 3.49Å; P714-Y738 WeakPolarHBondContact CD-OH 3.5Å; P714-Y738 HydrophobicContact CG-CE1 4.1Å; D715-Y738 PolarHBondContact OD1-OH 2.79Å; D715-Y738 WeakPolarHBondContact OD2-CE2 3.17Å; D715-Y738 PolarHBondContact OD2-OH 2.94Å; K735-Y738 VanDerWaalsContact O-CB 3.27Å; K735-Y738 WeakPolarHBondContact O-CB 3.5Å; K735-Y738 PolarHBondContact O-N 2.81Å; E736-Y738 VanDerWaalsContact C-N 3.3Å; E736-Y738 PolarHBondContact O-N 2.93Å; Y738-R740 VanDerWaalsContact C-N 3.34Å; Y738-T741 PolarHBondContact O-OG1 2.8Å
739	S	54.8	Low	60	Low	87 Å²	87	86.3 Å²	86.3	61%	0.608	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.6	172.9	55.7	0	0	0	0	115.3	D737	D737-S739 PolarHBondContact O-N 3.08Å
740	R	47.1	Very low	57.1	Low	190 Å²	190	94.7 Å²	94.7	72%	0.717	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-21.6	179.8	-73.9	-179.8	165.5	152.9	-9.1	114.3	D737 Y738	D737-R740 WeakPolarHBondContact O-CB 3.48Å; D737-R740 PolarHBondContact O-N 3.39Å; D737-R740 WeakPolarHBondContact OD1-CD 3.26Å; D737-R740 IonicContact OD1-CZ 2.73Å; D737-R740 IonicContact OD1-NE 2.98Å; D737-R740 IonicContact OD1-NH1 3.88Å; D737-R740 PolarHBondContact OD1-NH1 2.95Å; Y738-R740 VanDerWaalsContact C-N 3.34Å
741	T	45	Very low	54.3	Low	89 Å²	89	96 Å²	96	55%	0.546	52%	0.523	S	S	.	.	S	Bend	trans	-71.8	121.9	172	38	0	0	0	0	109.9	Y738 R743	Y738-T741 PolarHBondContact O-OG1 2.8Å; T741-R743 PolarHBondContact O-N 3Å
742	P	39.6	Very low	51.4	Low	125 Å²	125	101.5 Å²	101.5	81%	0.812	55%	0.553	S	S	*	*			trans	-64.9	124.9	179.5	26.4	-33.4	0	0	0	110.1	S744	P742-S744 PolarHBondContact O-N 3.46Å
743	R	47.6	Very low	48.4	Very low	88 Å²	88	107.4 Å²	107.4	33%	0.332	59%	0.586	S	S	.	*			trans	-77.9	110.1	178.8	-58.7	-177.5	-175.1	171.3	0.5	109.8	T741 N745 S746	T741-R743 PolarHBondContact O-N 3Å; R743-N745 VanDerWaalsContact C-N 3.27Å; R743-N745 PolarHBondContact O-N 2.81Å; R743-S746 VanDerWaalsContact CD-OG 3.3Å; R743-S746 WeakPolarHBondContact CD-OG 3.5Å; R743-S746 PolarHBondContact NH1-OG 2.78Å
744	S	44.3	Very low	45.6	Very low	97 Å²	97	113 Å²	113	68%	0.678	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-37	171.5	47.4	0	0	0	0	112.8	P742	P742-S744 PolarHBondContact O-N 3.46Å
745	N	37.8	Very low	42.9	Very low	76 Å²	76	115.1 Å²	115.1	41%	0.406	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.6	24	-169.9	-70.9	-15.4	0	0	0	115.1	R743	R743-N745 VanDerWaalsContact C-N 3.27Å; R743-N745 PolarHBondContact O-N 2.81Å
746	S	34.6	Very low	40.2	Very low	28 Å²	28	113.9 Å²	113.9	20%	0.196	64%	0.644	C	S	.	*			trans	-144.1	131.4	-179	156.9	0	0	0	0	113.6	R743 A748	R743-S746 VanDerWaalsContact CD-OG 3.3Å; R743-S746 WeakPolarHBondContact CD-OG 3.5Å; R743-S746 PolarHBondContact NH1-OG 2.78Å; S746-A748 VanDerWaalsContact C-N 3.29Å; S746-A748 PolarHBondContact O-N 3.07Å
747	P	30.3	Very low	38.2	Very low	91 Å²	91	113.6 Å²	113.6	59%	0.591	65%	0.646	S	S	*	*	S	Bend	trans	-91.5	28.6	-152.9	-3.1	25.2	0	0	0	114.6	R335	R335-P747 VanDerWaalsContact NH2-CB 3.3Å
748	A	34.1	Very low	36.7	Very low	76 Å²	76	118.7 Å²	118.7	63%	0.628	67%	0.668	S	S	*	*			trans	-146.2	79.3	-169.8	0	0	0	0	0	111.3	S746	S746-A748 VanDerWaalsContact C-N 3.29Å; S746-A748 PolarHBondContact O-N 3.07Å
749	A	32.2	Very low	35.4	Very low	82 Å²	82	126.8 Å²	126.8	68%	0.678	70%	0.703	S	S	*	*			trans	-129.8	117.6	165.4	0	0	0	0	0	108.4
750	F	32.9	Very low	34.2	Very low	203 Å²	203	127.5 Å²	127.5	89%	0.89	72%	0.715	S	S	*	*			trans	-98.8	144.6	163.6	-78.2	-90.2	0	0	0	108.1	D752	F750-D752 PolarHBondContact O-N 3.26Å
751	L	31.6	Very low	33.3	Very low	180 Å²	180	124.9 Å²	124.9	94%	0.942	72%	0.719	S	S	*	*			trans	-78.2	117.5	172.1	-73.6	164.1	0	0	0	109.3
752	D	28.7	Very low	32.5	Very low	165 Å²	165	130.1 Å²	130.1	88%	0.882	74%	0.735	S	S	*	*			trans	-113.2	141.3	163.1	-97	-40	0	0	0	109.3	F750	F750-D752 PolarHBondContact O-N 3.26Å
753	N	28	Very low	32	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	74%	0.739	S	S	*	*			trans	-120.8	166.6	-168.5	-166.5	2.4	0	0	0	111.3
754	Q	32.8	Very low	31.2	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	76%	0.76	S	S	*	*			trans	77.1	126.3	177.5	-49.5	-174.8	10.9	0	0	115.2
755	G	29.3	Very low	30.4	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	77%	0.766	S	S	*	*			trans	-109.1	-172.3	-176.2	0	0	0	0	0	114.1
756	C	25.8	Very low	30.3	Very low	121 Å²	121	138.2 Å²	138.2	82%	0.818	78%	0.781	S	S	*	*			trans	-152	145.7	165.8	-162.2	0	0	0	0	111.6
757	L	28.3	Very low	29.9	Very low	165 Å²	165	143.4 Å²	143.4	86%	0.864	81%	0.811	S	S	*	*			trans	-6.4	134.7	170.8	-59.6	170.1	0	0	0	120.2
758	Q	28.6	Very low	30	Very low	200 Å²	200	147.5 Å²	147.5	94%	0.935	82%	0.823	S	S	*	*			trans	-69.2	155.1	166.2	-64.4	177.9	-12.4	0	0	112.8
759	K	29.3	Very low	29.9	Very low	197 Å²	197	149.7 Å²	149.7	86%	0.857	83%	0.83	S	S	*	*			trans	-145.8	117.1	164.1	-165.2	171.9	-173.7	175.4	0	110.7
760	A	30.1	Very low	29.7	Very low	103 Å²	103	157.5 Å²	157.5	85%	0.851	84%	0.842	S	S	*	*			trans	-73	143.9	-176.9	0	0	0	0	0	112.8
761	V	28.8	Very low	29.8	Very low	134 Å²	134	154 Å²	154	81%	0.812	84%	0.84	S	S	*	*			trans	-137.2	147.6	173.6	-179	0	0	0	0	109.5
762	F	27.2	Very low	29.6	Very low	199 Å²	199	157.6 Å²	157.6	87%	0.873	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-75.7	150.6	-171.3	-75.3	-113.4	0	0	0	113.8
763	Q	29.1	Very low	29.5	Very low	192 Å²	192	152.9 Å²	152.9	90%	0.897	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-84.4	137.2	167.8	-66.8	179.3	-13.1	0	0	112.1
764	P	31.3	Very low	29.9	Very low	119 Å²	119	150.4 Å²	150.4	77%	0.773	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-97.9	154.7	156.6	34.8	-28.8	0	0	0	112.1
765	V	28.3	Very low	29.6	Very low	133 Å²	133	152 Å²	152	81%	0.806	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-81.2	142.1	-171.3	179.8	0	0	0	0	112.8
766	P	34.8	Very low	29.9	Very low	113 Å²	113	153.9 Å²	153.9	73%	0.734	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-69.1	147.8	176.4	-18.7	32.2	0	0	0	114.3
767	V	27.1	Very low	30.4	Very low	136 Å²	136	157.6 Å²	157.6	82%	0.824	84%	0.843	S	S	*	*			trans	-119.2	123.8	172.6	178.7	0	0	0	0	109.7
768	H	31.6	Very low	30.9	Very low	178 Å²	178	154 Å²	154	82%	0.824	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-74.5	132.7	179.9	-72.1	-7.3	0	0	0	113.7
769	P	32.3	Very low	32.7	Very low	122 Å²	122	150.1 Å²	150.1	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82	153.7	155.3	-9.2	28.1	0	0	0	111.8
770	R	28.6	Very low	34.8	Very low	246 Å²	246	144.1 Å²	144.1	93%	0.928	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-93	151.8	171.6	-81.2	179.7	170.2	169.8	-4	111.8
771	P	35	Very low	36.6	Very low	129 Å²	129	140.6 Å²	140.6	84%	0.838	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-85.5	149	-172.5	33.8	-36.7	0	0	0	114.9
772	R	27.2	Very low	38.7	Very low	255 Å²	255	136.7 Å²	136.7	96%	0.962	73%	0.734	S	S	*	*			trans	-168	127.2	161.4	-141.7	-176.7	-170.8	-152.6	2.8	107.4
773	G	26.9	Very low	39.8	Very low	67 Å²	67	132.4 Å²	132.4	69%	0.691	73%	0.729	S	S	*	*			cis	174.9	154	-9.5	0	0	0	0	0	110
774	A	35.3	Very low	40.7	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	72%	0.724	S	S	*	*			trans	63.4	98.6	179.6	0	0	0	0	0	117.1
775	F	26.9	Very low	42	Very low	215 Å²	215	127.8 Å²	127.8	94%	0.943	71%	0.711	S	S	*	*			trans	-145.7	169.4	152.8	-88.2	-67	0	0	0	109.6
776	S	36.5	Very low	43.5	Very low	111 Å²	111	121.8 Å²	121.8	78%	0.776	68%	0.677	S	S	*	*	S	Bend	trans	-56.6	167.3	-177	-47.6	0	0	0	0	114	A778	S776-A778 PolarHBondContact O-N 2.72Å
777	E	34.8	Very low	45	Very low	198 Å²	198	119.4 Å²	119.4	93%	0.925	66%	0.655	S	S	*	*			trans	-51.8	106	-176.8	-64.3	-172.7	128.9	0	0	112.6	R779	E777-R779 PolarHBondContact O-N 2.77Å; E777-R779 VanDerWaalsContact O-N 3.14Å
778	A	39.4	Very low	47.1	Very low	91 Å²	91	114.1 Å²	114.1	75%	0.752	62%	0.621	S	S	*	*			trans	-73.3	106.1	-179.4	0	0	0	0	0	109.9	S776 T780	S776-A778 PolarHBondContact O-N 2.72Å; A778-T780 PolarHBondContact O-N 3.14Å
779	R	65.8	Low	49	Very low	117 Å²	117	109.5 Å²	109.5	44%	0.442	60%	0.602	S	S	.	*			trans	-54.3	120.5	166.9	-81.2	178.2	164.8	-147.2	-10.9	108.9	E601 E725 E777 Y781 L788	E601-R779 IonicContact OE2-CZ 3.91Å; E601-R779 IonicContact OE2-NH1 2.65Å; E601-R779 PolarHBondContact OE2-NH1 3.15Å; E601-R779 VanDerWaalsContact OE2-NH1 3.13Å; E601-R779 IonicContact OE2-NH2 3.96Å; E601-R779 PolarHBondContact OE2-NH2 3.31Å; E725-R779 WeakPolarHBondContact OE1-CD 3.29Å; E725-R779 IonicContact OE1-CZ 3.64Å; E725-R779 IonicContact OE1-NE 2.83Å; E725-R779 IonicContact OE1-NH1 3.15Å; E725-R779 PolarHBondContact OE1-NH1 3.3Å; E777-R779 PolarHBondContact O-N 2.77Å; E777-R779 VanDerWaalsContact O-N 3.14Å; R779-Y781 WeakPolarHBondContact O-CE2 3.25Å; R779-L788 HydrophobicContact CB-CD1 3.78Å; R779-L788 HydrophobicContact CG-CD1 4.35Å
780	T	73	Confident	50.4	Low	71 Å²	71	109 Å²	109	44%	0.436	58%	0.584	S	S	.	*			trans	-86.3	115.9	-172.4	-50.6	0	0	0	0	111	A778 I789	A778-T780 PolarHBondContact O-N 3.14Å; T780-I789 HydrophobicContact CG2-CD1 4.31Å; T780-I789 WeakPolarHBondContact O-CA 3.37Å; T780-I789 WeakPolarHBondContact O-CB 3.3Å; T780-I789 PolarHBondContact O-N 3.45Å
781	Y	68.9	Low	51.1	Low	30 Å²	30	107.3 Å²	107.3	12%	0.118	58%	0.578	C	S	.	*	B	Isolated β-bridge	trans	-90.9	154.5	171.4	-54.8	-81.1	0	0	0	111.8	E725 E728 L731 R779 K787 L788	E725-Y781 PolarHBondContact OE2-OH 3.23Å; E728-Y781 HydrophobicContact CB-CD2 4.13Å; E728-Y781 HydrophobicContact CB-CE2 4.26Å; L731-Y781 HydrophobicContact CD1-CD2 4.46Å; L731-Y781 HydrophobicContact CD1-CG 4.1Å; R779-Y781 WeakPolarHBondContact O-CE2 3.25Å; Y781-K787 CarbonylContact C-O 3.6Å; Y781-K787 WeakPolarHBondContact CA-O 3.48Å; Y781-L788 HydrophobicContact CD1-CB 4.13Å; Y781-L788 HydrophobicContact CD1-CD1 4.13Å; Y781-L788 HydrophobicContact CE1-CB 4.09Å; Y781-L788 HydrophobicContact CE1-CD1 3.9Å; Y781-L788 HydrophobicContact CE1-CG 4.5Å
782	D	72.8	Confident	51.1	Low	51 Å²	51	103.7 Å²	103.7	27%	0.273	56%	0.564	S	S	.	*			trans	-75.7	127.8	169.9	177.7	-85.3	0	0	0	110.3	V784 T785 G786 K787 I789	D782-V784 PolarHBondContact O-N 3.29Å; D782-V784 PolarHBondContact OD1-N 3.13Å; D782-T785 WeakPolarHBondContact CB-OG1 3.09Å; D782-T785 VanDerWaalsContact CG-OG1 3.23Å; D782-T785 WeakPolarHBondContact OD1-CB 3.33Å; D782-T785 PolarHBondContact OD1-N 3.19Å; D782-T785 PolarHBondContact OD1-OG1 3.31Å; D782-G786 WeakPolarHBondContact O-CA 3.23Å; D782-G786 PolarHBondContact O-N 3.45Å; D782-K787 PolarHBondContact N-O 3.33Å; D782-I789 HydrophobicContact CB-CD1 4.02Å; D782-I789 HydrophobicContact CB-CG1 4Å
783	S	49.8	Very low	51.4	Low	110 Å²	110	98.2 Å²	98.2	77%	0.769	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-1.3	-171.4	60.7	0	0	0	0	115
784	V	48.9	Very low	51.6	Low	130 Å²	130	103.8 Å²	103.8	79%	0.788	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-38.5	179.2	-176.4	0	0	0	0	110.9	D782	D782-V784 PolarHBondContact O-N 3.29Å; D782-V784 PolarHBondContact OD1-N 3.13Å
785	T	57.8	Low	51.3	Low	83 Å²	83	103.8 Å²	103.8	51%	0.509	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.2	-16.6	-173.1	62.7	0	0	0	0	114.3	D782 K787	D782-T785 WeakPolarHBondContact CB-OG1 3.09Å; D782-T785 VanDerWaalsContact CG-OG1 3.23Å; D782-T785 WeakPolarHBondContact OD1-CB 3.33Å; D782-T785 PolarHBondContact OD1-N 3.19Å; D782-T785 PolarHBondContact OD1-OG1 3.31Å; T785-K787 PolarHBondContact O-N 2.87Å
786	G	61.1	Low	51.5	Low	8 Å²	8	98.5 Å²	98.5	8%	0.082	57%	0.565	C	S	.	*			trans	67.3	11.1	-176.1	0	0	0	0	0	114.8	R723 D782	R723-G786 PolarHBondContact NH1-O 3.01Å; R723-G786 PolarHBondContact NH2-O 2.61Å; D782-G786 WeakPolarHBondContact O-CA 3.23Å; D782-G786 PolarHBondContact O-N 3.45Å
787	K	65.9	Low	51.2	Low	63 Å²	63	104.6 Å²	104.6	27%	0.274	57%	0.571	S	S	.	*			trans	-78.4	149.8	174.9	-63.6	-165.1	169.1	-168	0	110.9	Q592 D594 Y781 D782 T785 I789	Q592-K787 PolarHBondContact O-NZ 3.32Å; D594-K787 HydrophobicContact CB-CD 4.49Å; D594-K787 VanDerWaalsContact CG-CE 3.45Å; D594-K787 VanDerWaalsContact OD2-CD 3.23Å; D594-K787 WeakPolarHBondContact OD2-CD 3.48Å; D594-K787 WeakPolarHBondContact OD2-CE 3.47Å; D594-K787 WeakPolarHBondContact OD2-CG 3.42Å; D594-K787 IonicContact OD2-NZ 3.7Å; Y781-K787 CarbonylContact C-O 3.6Å; Y781-K787 WeakPolarHBondContact CA-O 3.48Å; D782-K787 PolarHBondContact N-O 3.33Å; T785-K787 PolarHBondContact O-N 2.87Å; K787-I789 PolarHBondContact O-N 2.93Å
788	L	70.1	Confident	51	Low	24 Å²	24	100.9 Å²	100.9	13%	0.126	57%	0.565	C	S	.	*	B	Isolated β-bridge	trans	-78.2	118.7	179.4	176.9	58.4	0	0	0	110.5	Y598 R779 Y781 R790	Y598-L788 HydrophobicContact CE1-CB 4.16Å; R779-L788 HydrophobicContact CB-CD1 3.78Å; R779-L788 HydrophobicContact CG-CD1 4.35Å; Y781-L788 HydrophobicContact CD1-CB 4.13Å; Y781-L788 HydrophobicContact CD1-CD1 4.13Å; Y781-L788 HydrophobicContact CE1-CB 4.09Å; Y781-L788 HydrophobicContact CE1-CD1 3.9Å; Y781-L788 HydrophobicContact CE1-CG 4.5Å; L788-R790 VanDerWaalsContact C-N 3.34Å; L788-R790 HydrophobicContact CG-CG 4.42Å; L788-R790 PolarHBondContact O-N 3.07Å
789	I	72.7	Confident	50.4	Low	81 Å²	81	101.5 Å²	101.5	42%	0.415	57%	0.57	S	S	.	*			trans	-77.4	85.1	177	-53.3	179.1	0	0	0	109.2	T780 D782 K787 R791	T780-I789 HydrophobicContact CG2-CD1 4.31Å; T780-I789 WeakPolarHBondContact O-CA 3.37Å; T780-I789 WeakPolarHBondContact O-CB 3.3Å; T780-I789 PolarHBondContact O-N 3.45Å; D782-I789 HydrophobicContact CB-CD1 4.02Å; D782-I789 HydrophobicContact CB-CG1 4Å; K787-I789 PolarHBondContact O-N 2.93Å; I789-R791 PolarHBondContact O-N 2.84Å; I789-R791 VanDerWaalsContact O-N 3.11Å
790	R	61.9	Low	48.5	Very low	112 Å²	112	103 Å²	103	42%	0.423	59%	0.592	S	S	.	*			trans	-64.4	107.8	171.6	-71.4	-171.9	176.1	163	8.2	110.2	I597 E601 L788	I597-R790 VanDerWaalsContact CG2-CZ 3.47Å; I597-R790 PolarHBondContact O-NH2 3Å; E601-R790 IonicContact OE1-CZ 3.61Å; E601-R790 VanDerWaalsContact OE1-CZ 3.28Å; E601-R790 IonicContact OE1-NE 3.62Å; E601-R790 PolarHBondContact OE1-NE 3.18Å; E601-R790 IonicContact OE1-NH2 2.62Å; E601-R790 PolarHBondContact OE1-NH2 3.41Å; L788-R790 VanDerWaalsContact C-N 3.34Å; L788-R790 HydrophobicContact CG-CG 4.42Å; L788-R790 PolarHBondContact O-N 3.07Å
791	R	42.5	Very low	46.3	Very low	211 Å²	211	109.2 Å²	109.2	80%	0.796	61%	0.609	S	S	*	*			trans	-82.4	119.6	165	-67.7	-175.7	179.1	-174.4	0.4	109	I789	I789-R791 PolarHBondContact O-N 2.84Å; I789-R791 VanDerWaalsContact O-N 3.11Å
792	G	35.4	Very low	44.5	Very low	53 Å²	53	114 Å²	114	55%	0.546	64%	0.636	S	S	.	*			trans	-65.4	162.8	173.5	0	0	0	0	0	112.8	Q794	G792-Q794 PolarHBondContact O-N 3.16Å; G792-Q794 VanDerWaalsContact O-N 3.07Å
793	P	32.4	Very low	42.3	Very low	140 Å²	140	120.3 Å²	120.3	91%	0.909	66%	0.664	S	S	*	*			trans	-61	111.4	-179	-21.6	33.3	0	0	0	111.6	A795	P793-A795 PolarHBondContact O-N 3.07Å
794	Q	31.2	Very low	41.1	Very low	183 Å²	183	119.2 Å²	119.2	86%	0.855	66%	0.661	S	S	*	*			trans	-77.6	107.9	180	-72.5	-157.9	-25.3	0	0	111.4	G792 A796	G792-Q794 PolarHBondContact O-N 3.16Å; G792-Q794 VanDerWaalsContact O-N 3.07Å; Q794-A796 PolarHBondContact O-N 3.1Å
795	A	29.7	Very low	40.1	Very low	98 Å²	98	119 Å²	119	81%	0.81	67%	0.665	S	S	*	*			trans	-62.1	118.5	167.1	0	0	0	0	0	110.1	P793 R797	P793-A795 PolarHBondContact O-N 3.07Å; A795-R797 PolarHBondContact O-N 3.2Å
796	A	31	Very low	38.4	Very low	103 Å²	103	118.4 Å²	118.4	85%	0.851	68%	0.676	S	S	*	*			trans	-70.6	120.1	-175.5	0	0	0	0	0	112.2	Q794	Q794-A796 PolarHBondContact O-N 3.1Å
797	R	29.7	Very low	37.3	Very low	239 Å²	239	123.5 Å²	123.5	90%	0.902	71%	0.708	S	S	*	*			trans	-133	148.7	161.1	-85.2	-168.3	165.8	-178.1	-3.6	111.2	A795	A795-R797 PolarHBondContact O-N 3.2Å
798	P	31.5	Very low	35.4	Very low	121 Å²	121	128 Å²	128	79%	0.786	73%	0.734	S	S	*	*			trans	-82.8	155.1	-162.6	32.8	-36.6	0	0	0	113.9
799	A	25.5	Very low	33.2	Very low	103 Å²	103	131.2 Å²	131.2	85%	0.851	76%	0.758	S	S	*	*			trans	-81.3	146.6	176.6	0	0	0	0	0	112.6
800	T	26.1	Very low	30.8	Very low	148 Å²	148	133.9 Å²	133.9	91%	0.908	77%	0.773	S	S	*	*			trans	-135.6	165.8	165.4	-15.5	0	0	0	0	110.3
801	Y	27.9	Very low	29	Very low	202 Å²	202	137.8 Å²	137.8	79%	0.792	79%	0.788	S	S	*	*			trans	-126.7	135.9	-142.4	-177.9	-113.8	0	0	0	113.2
802	L	29.9	Very low	28.1	Very low	130 Å²	130	134.1 Å²	134.1	68%	0.681	78%	0.782	S	S	*	*			trans	65	165.1	173.8	-60	177.6	0	0	0	115.3
803	Q	27	Very low	27.6	Very low	185 Å²	185	136.6 Å²	136.6	86%	0.864	78%	0.782	S	S	*	*			cis	-143.5	-179.4	13.8	-156.8	162.5	-26.7	0	0	112.4
804	A	24.5	Very low	27.3	Very low	87 Å²	87	137.4 Å²	137.4	72%	0.719	77%	0.774	S	S	*	*			trans	-98.3	169.1	-166.6	0	0	0	0	0	116
805	S	28.3	Very low	27	Very low	124 Å²	124	134.6 Å²	134.6	87%	0.867	77%	0.774	S	S	*	*			trans	126.3	136.6	154.4	-53.4	0	0	0	0	114.4
806	G	21.5	Very low	26.9	Very low	71 Å²	71	133.2 Å²	133.2	73%	0.732	77%	0.77	S	S	*	*			trans	-109.8	-151.9	157.8	0	0	0	0	0	110
807	P	39.1	Very low	26.6	Very low	116 Å²	116	136.6 Å²	136.6	75%	0.753	77%	0.773	S	S	*	*			cis	-140.2	-166.8	-1.4	43.6	-25.6	0	0	0	114.7
808	L	24.8	Very low	26.4	Very low	158 Å²	158	136.7 Å²	136.7	83%	0.827	77%	0.773	S	S	*	*			trans	78.8	131.2	153.4	-73.7	172.3	0	0	0	122.6
809	S	24.8	Very low	26.1	Very low	91 Å²	91	134.6 Å²	134.6	64%	0.636	77%	0.773	S	S	*	*			trans	64.4	134.5	139.8	-89.5	0	0	0	0	123.2
810	D	22.7	Very low	26.1	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	77%	0.771	S	S	*	*				49.7	139	128.4	-61.7	-70.9	0	0	0	119.6
811	R	24.2	Very low	26.1	Very low	195 Å²	195	131.5 Å²	131.5	74%	0.736	76%	0.763	S	S	*	*			cis	-175.3	157.8	32.8	-141	171.4	115.3	179.7	3.3	109.8
812	M	23.7	Very low	26.1	Very low	134 Å²	134	131.4 Å²	131.4	66%	0.66	77%	0.769	S	S	*	*			trans	54.1	145.8	138.4	-88.6	-174	169.4	0	0	121.4
813	D	24.3	Very low	25.8	Very low	105 Å²	105	129 Å²	129	56%	0.561	78%	0.776	S	S	*	*			cis	-168	171	-9.6	-144.8	-10.6	0	0	0	113.7
814	Q	25.4	Very low	25.9	Very low	157 Å²	157	128.2 Å²	128.2	73%	0.734	77%	0.772	S	S	*	*			trans	67.7	144	140.9	-88.2	170	73.2	0	0	124.7
815	S	26.4	Very low	26.1	Very low	123 Å²	123	132.1 Å²	132.1	86%	0.86	78%	0.776	S	S	*	*			trans	90.9	130.9	149.9	75.6	0	0	0	0	118.2
816	G	25.6	Very low	26.2	Very low	70 Å²	70	131.7 Å²	131.7	72%	0.722	76%	0.764	S	S	*	*			cis	179.1	123.1	-11.5	0	0	0	0	0	109.7
817	L	26.3	Very low	26.6	Very low	174 Å²	174	136.3 Å²	136.3	91%	0.911	77%	0.766	S	S	*	*				63.5	130.3	83.2	-102.8	-178.7	0	0	0	117.1
818	R	25.2	Very low	26.2	Very low	241 Å²	241	134.8 Å²	134.8	91%	0.909	76%	0.763	S	S	*	*			trans	75.2	140.1	177.2	-56.5	176.3	177.2	-100.8	-4.8	115.3
819	G	24.5	Very low	26.4	Very low	76 Å²	76	132.5 Å²	132.5	78%	0.784	77%	0.767	S	S	*	*			cis	179.3	-171.4	-1.4	0	0	0	0	0	110.3
820	A	25.3	Very low	26.5	Very low	98 Å²	98	131.8 Å²	131.8	81%	0.81	77%	0.774	S	S	*	*			cis	-168.1	170.6	-3.3	0	0	0	0	0	110.6
821	A	25.9	Very low	26.6	Very low	88 Å²	88	130.6 Å²	130.6	73%	0.727	78%	0.776	S	S	*	*			trans	52	121.4	156.1	0	0	0	0	0	119.9
822	Q	27.7	Very low	26.7	Very low	200 Å²	200	125.8 Å²	125.8	94%	0.935	77%	0.773	S	S	*	*				87.6	133.7	54.4	-81.5	-171.8	-47.5	0	0	116.2
823	G	25.1	Very low	26.9	Very low	79 Å²	79	127.7 Å²	127.7	81%	0.814	78%	0.78	S	S	*	*			trans	176.9	116.3	166.1	0	0	0	0	0	113.3
824	Q	29	Very low	27	Very low	170 Å²	170	128.8 Å²	128.8	79%	0.794	79%	0.786	S	S	*	*			trans	-109.5	178.5	169.9	-68	172.3	-50.2	0	0	108.5
825	Q	28.4	Very low	27	Very low	168 Å²	168	127.1 Å²	127.1	79%	0.785	78%	0.782	S	S	*	*			cis	-161.7	161.3	46.7	-77.8	-178.8	-30.4	0	0	109.8
826	N	29.4	Very low	27	Very low	115 Å²	115	129.7 Å²	129.7	62%	0.615	78%	0.781	S	S	*	*			cis	80	127.3	38.1	-70	78.8	0	0	0	113.1
827	E	30.9	Very low	27	Very low	169 Å²	169	135 Å²	135	79%	0.79	79%	0.787	S	S	*	*			cis	-154.6	-156.2	-1.4	-47.8	-163.6	159.3	0	0	110.1
828	A	30.4	Very low	27.6	Very low	83 Å²	83	132.2 Å²	132.2	69%	0.686	78%	0.779	S	S	*	*			cis	-167.1	169.2	-0.4	0	0	0	0	0	112
829	A	30.2	Very low	27.6	Very low	111 Å²	111	124.3 Å²	124.3	92%	0.917	77%	0.773	S	S	*	*			trans	67.9	161.1	158.4	0	0	0	0	0	120
830	G	26.3	Very low	28.3	Very low	76 Å²	76	126.3 Å²	126.3	78%	0.784	77%	0.772	S	S	*	*			cis	167.2	173.6	-1.4	0	0	0	0	0	110.1
831	S	24.9	Very low	28.5	Very low	110 Å²	110	127.1 Å²	127.1	77%	0.769	77%	0.772	S	S	*	*			cis	-171.7	178.9	-6	61.3	0	0	0	0	112.4
832	S	26.6	Very low	28.6	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	78%	0.776	S	S	*	*			trans	68.4	119.2	149.4	52.6	0	0	0	0	124.9
833	Q	27.9	Very low	28.7	Very low	174 Å²	174	134.7 Å²	134.7	81%	0.813	77%	0.773	S	S	*	*			trans	45.3	150.7	132.4	-67.5	-178	-96.4	0	0	122.2
834	D	26.2	Very low	29	Very low	128 Å²	128	139.2 Å²	139.2	68%	0.684	77%	0.773	S	S	*	*			cis	-168.9	161	37	-130.9	6.7	0	0	0	115.4
835	N	25.6	Very low	28.9	Very low	121 Å²	121	142.8 Å²	142.8	65%	0.647	78%	0.779	S	S	*	*			trans	32.4	137	154.4	-86.5	22	0	0	0	129.9
836	E	24.7	Very low	29.3	Very low	178 Å²	178	143.7 Å²	143.7	83%	0.832	78%	0.783	S	S	*	*			trans	83.2	160.5	133.6	-71.9	179.2	98.9	0	0	125.6
837	Q	26	Very low	29.5	Very low	182 Å²	182	144.5 Å²	144.5	85%	0.85	79%	0.794	S	S	*	*			trans	-107.1	-158.8	-166.7	-43.5	-176	-27.2	0	0	113.6
838	P	40.2	Very low	29.5	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	79%	0.789	S	S	*	*			cis	-141.1	149.1	-16.5	31.8	-9.5	0	0	0	119.2
839	G	23.5	Very low	29.5	Very low	76 Å²	76	146 Å²	146	78%	0.784	80%	0.801	S	S	*	*			trans	67.2	-172.9	148.5	0	0	0	0	0	120.6
840	P	41.1	Very low	29.9	Very low	118 Å²	118	146 Å²	146	77%	0.766	79%	0.793	S	S	*	*			cis	-141.1	154	-20.6	39.8	-22.3	0	0	0	117.3
841	S	28.8	Very low	30.3	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	80%	0.799	S	S	*	*			trans	68.7	151.7	162.1	81.4	0	0	0	0	118.1
842	R	28.6	Very low	30.9	Very low	220 Å²	220	152.3 Å²	152.3	83%	0.83	80%	0.799	S	S	*	*			cis	-171.2	154.1	45.3	-153.8	178	-168.9	-163.6	4.6	114.5
843	R	29.9	Very low	31.5	Very low	227 Å²	227	155.8 Å²	155.8	86%	0.857	81%	0.807	S	S	*	*			trans	88.9	127.4	151.6	-120.1	178.1	-172.8	175.6	0.4	120.3
844	E	30.9	Very low	31.7	Very low	174 Å²	174	153.1 Å²	153.1	81%	0.813	81%	0.805	S	S	*	*			trans	-88.5	164.7	-178.2	-49.4	131.7	106.2	0	0	114.7
845	R	27.3	Very low	32.2	Very low	245 Å²	245	153.9 Å²	153.9	93%	0.925	81%	0.808	S	S	*	*			trans	-139.2	140.5	136.7	-72.9	-172.2	177.5	-178.5	0.2	108.6
846	Q	36.4	Very low	33.2	Very low	187 Å²	187	159 Å²	159	87%	0.874	82%	0.82	S	S	*	*			trans	-89.5	144.5	170.2	-72.1	-170.1	-34.7	0	0	111.7
847	P	33.3	Very low	34	Very low	131 Å²	131	156.6 Å²	156.6	85%	0.851	82%	0.817	S	S	*	*			trans	-98.6	174.1	162.4	37.1	-30.1	0	0	0	112.6
848	S	29.8	Very low	35.2	Very low	98 Å²	98	152.4 Å²	152.4	69%	0.685	80%	0.801	S	S	*	*			trans	-105.2	140.5	-167.3	166.5	0	0	0	0	113.3	S850	S848-S850 PolarHBondContact O-N 3.02Å; S848-S850 VanDerWaalsContact O-N 3.07Å
849	M	32.2	Very low	35.6	Very low	187 Å²	187	150.4 Å²	150.4	92%	0.921	79%	0.789	S	S	*	*	S	Bend	trans	24.2	70.4	146.1	-64.6	-69.1	-64.1	0	0	117.3
850	S	36.9	Very low	36.9	Very low	110 Å²	110	153 Å²	153	77%	0.769	78%	0.778	S	S	*	*			trans	-142.7	2.1	161.8	61.3	0	0	0	0	114	S848 T852	S848-S850 PolarHBondContact O-N 3.02Å; S848-S850 VanDerWaalsContact O-N 3.07Å; S850-T852 PolarHBondContact O-N 3.3Å
851	E	35.2	Very low	37.8	Very low	192 Å²	192	154 Å²	154	90%	0.897	77%	0.773	S	S	*	*			trans	-93.8	74	-177.1	-66.3	-178.6	133.4	0	0	112.2
852	T	36.9	Very low	39.4	Very low	127 Å²	127	152 Å²	152	78%	0.779	75%	0.753	S	S	*	*	S	Bend	trans	-145.1	122.9	161.4	-46.4	0	0	0	0	109.4	S850	S850-T852 PolarHBondContact O-N 3.3Å
853	M	39.1	Very low	41.1	Very low	167 Å²	167	145.3 Å²	145.3	82%	0.823	73%	0.733	S	S	*	*			trans	83.4	97	-171.3	-57.9	-164.2	66.1	0	0	116.7
854	P	32.1	Very low	42.4	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	71%	0.713	S	S	*	*			trans	-107.5	73.4	166.7	37.8	-27.7	0	0	0	111.6
855	L	38.3	Very low	44.3	Very low	145 Å²	145	133.5 Å²	133.5	76%	0.759	70%	0.698	S	S	*	*	S	Bend	trans	-138.4	134	158.1	-72.9	178.1	0	0	0	106.4
856	Y	46.7	Very low	46.1	Very low	228 Å²	228	126.7 Å²	126.7	89%	0.894	68%	0.678	S	S	*	*			trans	66.3	71.9	-163.1	-61.5	-84.1	0	0	0	115.1
857	T	41.4	Very low	47.4	Very low	127 Å²	127	122.8 Å²	122.8	78%	0.779	66%	0.663	S	S	*	*			trans	-116.4	114.2	142.9	49	0	0	0	0	107.2
858	L	49.9	Very low	48.9	Very low	95 Å²	95	123 Å²	123	50%	0.497	65%	0.651	S	S	.	*			trans	-64.3	151.7	171.1	-64.5	173.6	0	0	0	109.6	D862 L863 M866	L858-D862 HydrophobicContact CB-CB 4.15Å; L858-L863 HydrophobicContact CB-CD2 4.47Å; L858-L863 HydrophobicContact CB-CG 4.26Å; L858-L863 HydrophobicContact CD1-CD2 4.01Å; L858-M866 HydrophobicContact CD1-SD 4.24Å
859	C	50.1	Low	50.8	Low	72 Å²	72	124.3 Å²	124.3	49%	0.486	65%	0.646	S	S	.	*			trans	-65.6	157.8	173.5	-67.4	0	0	0	0	110.1	E861 D862 L863	C859-E861 PolarHBondContact O-N 2.97Å; C859-D862 HydrophobicContact CB-CB 4.42Å; C859-D862 VanDerWaalsContact CB-OD2 3.31Å; C859-D862 WeakPolarHBondContact CB-OD2 3.34Å; C859-D862 PolarHBondContact N-OD2 2.82Å; C859-D862 WeakPolarHBondContact O-CB 3.38Å; C859-D862 PolarHBondContact O-N 3.01Å; C859-D862 VanDerWaalsContact O-N 3.14Å; C859-L863 PolarHBondContact O-N 2.96Å
860	K	50.3	Low	52.4	Low	131 Å²	131	119.1 Å²	119.1	57%	0.57	62%	0.624	S	S	*	*	H	α-helix	trans	-66.4	-34.4	177.2	-165.8	-170.2	-179.6	-62.9	0	110.1	D862 L863 D864	K860-D862 VanDerWaalsContact C-N 3.3Å; K860-D862 PolarHBondContact O-N 2.73Å; K860-L863 PolarHBondContact O-N 3.4Å; K860-D864 IonicContact NZ-OD1 2.7Å; K860-D864 PolarHBondContact NZ-OD1 3.35Å; K860-D864 IonicContact NZ-OD2 3.97Å; K860-D864 PolarHBondContact NZ-OD2 2.97Å; K860-D864 VanDerWaalsContact O-CB 3.26Å; K860-D864 WeakPolarHBondContact O-CB 3.2Å; K860-D864 PolarHBondContact O-N 2.88Å
861	E	58.8	Low	53.2	Low	139 Å²	139	119.5 Å²	119.5	65%	0.65	62%	0.618	S	S	*	*	H	α-helix	trans	-62.2	-34.4	173	-64	73.1	-165	0	0	112.3	C859 S865	C859-E861 PolarHBondContact O-N 2.97Å; E861-S865 WeakPolarHBondContact O-CB 3.1Å; E861-S865 PolarHBondContact O-N 3.25Å
862	D	64.3	Low	54.2	Low	72 Å²	72	116 Å²	116	39%	0.385	61%	0.605	S	S	.	*	H	α-helix	trans	-68.4	-45.7	175.2	-57.4	-29.7	0	0	0	110.5	L858 C859 K860 S865 M866	L858-D862 HydrophobicContact CB-CB 4.15Å; C859-D862 HydrophobicContact CB-CB 4.42Å; C859-D862 VanDerWaalsContact CB-OD2 3.31Å; C859-D862 WeakPolarHBondContact CB-OD2 3.34Å; C859-D862 PolarHBondContact N-OD2 2.82Å; C859-D862 WeakPolarHBondContact O-CB 3.38Å; C859-D862 PolarHBondContact O-N 3.01Å; C859-D862 VanDerWaalsContact O-N 3.14Å; K860-D862 VanDerWaalsContact C-N 3.3Å; K860-D862 PolarHBondContact O-N 2.73Å; D862-S865 PolarHBondContact O-N 2.94Å; D862-M866 WeakPolarHBondContact O-CG 3.48Å; D862-M866 PolarHBondContact O-N 3.31Å
863	L	63	Low	55.3	Low	80 Å²	80	115.8 Å²	115.8	42%	0.419	60%	0.598	S	S	.	*	H	α-helix	trans	-66.1	-48.1	177.3	-68.7	172.1	0	0	0	111.7	L858 C859 K860 S865 M866 D867	L858-L863 HydrophobicContact CB-CD2 4.47Å; L858-L863 HydrophobicContact CB-CG 4.26Å; L858-L863 HydrophobicContact CD1-CD2 4.01Å; C859-L863 PolarHBondContact O-N 2.96Å; K860-L863 PolarHBondContact O-N 3.4Å; L863-S865 PolarHBondContact O-N 3.3Å; L863-S865 VanDerWaalsContact O-N 3.14Å; L863-M866 PolarHBondContact O-N 2.91Å; L863-D867 WeakPolarHBondContact O-CB 3.26Å; L863-D867 PolarHBondContact O-N 2.98Å
864	D	58.5	Low	55.7	Low	82 Å²	82	113.7 Å²	113.7	44%	0.439	59%	0.59	S	S	.	*	H	α-helix	trans	-63.9	-15.4	175.1	-68.9	-4.3	0	0	0	112.1	K860 K868	K860-D864 IonicContact NZ-OD1 2.7Å; K860-D864 PolarHBondContact NZ-OD1 3.35Å; K860-D864 IonicContact NZ-OD2 3.97Å; K860-D864 PolarHBondContact NZ-OD2 2.97Å; K860-D864 VanDerWaalsContact O-CB 3.26Å; K860-D864 WeakPolarHBondContact O-CB 3.2Å; K860-D864 PolarHBondContact O-N 2.88Å; D864-K868 WeakPolarHBondContact O-CB 3.3Å
865	S	68.8	Low	56.3	Low	71 Å²	71	110.8 Å²	110.8	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-91.1	-40.7	171.7	-169.8	0	0	0	0	112.5	E861 D862 L863 K868 E869	E861-S865 WeakPolarHBondContact O-CB 3.1Å; E861-S865 PolarHBondContact O-N 3.25Å; D862-S865 PolarHBondContact O-N 2.94Å; L863-S865 PolarHBondContact O-N 3.3Å; L863-S865 VanDerWaalsContact O-N 3.14Å; S865-K868 WeakPolarHBondContact O-CB 3.31Å; S865-K868 PolarHBondContact O-N 3.39Å; S865-E869 PolarHBondContact O-N 3.44Å
866	M	66.4	Low	56.6	Low	102 Å²	102	113 Å²	113	50%	0.502	59%	0.588	S	S	.	*	H	α-helix	trans	-65.9	-43.6	175.5	-73.5	179	66.7	0	0	111.7	L858 D862 L863 K868 E869 V870	L858-M866 HydrophobicContact CD1-SD 4.24Å; D862-M866 WeakPolarHBondContact O-CG 3.48Å; D862-M866 PolarHBondContact O-N 3.31Å; L863-M866 PolarHBondContact O-N 2.91Å; M866-K868 PolarHBondContact O-N 3.02Å; M866-E869 PolarHBondContact O-N 3.37Å; M866-V870 WeakPolarHBondContact O-CG2 3.23Å; M866-V870 PolarHBondContact O-N 3.38Å
867	D	62.6	Low	56.1	Low	104 Å²	104	110.3 Å²	110.3	56%	0.556	58%	0.584	S	S	*	*	H	α-helix	trans	-58.4	-31.4	174.1	-76.2	-11.3	0	0	0	111	L863 D871	L863-D867 WeakPolarHBondContact O-CB 3.26Å; L863-D867 PolarHBondContact O-N 2.98Å; D867-D871 PolarHBondContact O-N 2.88Å
868	K	66.3	Low	55.7	Low	136 Å²	136	109.5 Å²	109.5	59%	0.591	58%	0.583	S	S	*	*	H	α-helix	trans	-81.2	-38.4	-179.2	-159	178.7	-175.2	-172.2	0	113.5	D864 S865 M866 V870 D871 D872	D864-K868 WeakPolarHBondContact O-CB 3.3Å; S865-K868 WeakPolarHBondContact O-CB 3.31Å; S865-K868 PolarHBondContact O-N 3.39Å; M866-K868 PolarHBondContact O-N 3.02Å; K868-V870 PolarHBondContact O-N 3.19Å; K868-D871 PolarHBondContact O-N 3Å; K868-D872 PolarHBondContact O-N 2.8Å
869	E	68.1	Low	54.9	Low	126 Å²	126	112.1 Å²	112.1	59%	0.589	60%	0.597	S	S	*	*	H	α-helix	trans	-62.2	-36.4	169.6	-174.2	172.2	-163.6	0	0	110.6	S865 M866 I873	S865-E869 PolarHBondContact O-N 3.44Å; M866-E869 PolarHBondContact O-N 3.37Å; E869-I873 HydrophobicContact CG-CD1 4.06Å; E869-I873 WeakPolarHBondContact O-CB 3.34Å; E869-I873 WeakPolarHBondContact O-CD1 3.35Å; E869-I873 WeakPolarHBondContact O-CG1 3.21Å; E869-I873 PolarHBondContact O-N 3.4Å
870	V	66.5	Low	54	Low	77 Å²	77	115.8 Å²	115.8	47%	0.467	61%	0.612	S	S	.	*	H	α-helix	trans	-68.5	-43.8	172.2	170.8	0	0	0	0	112.4	M866 K868 D872 I873 L874	M866-V870 WeakPolarHBondContact O-CG2 3.23Å; M866-V870 PolarHBondContact O-N 3.38Å; K868-V870 PolarHBondContact O-N 3.19Å; V870-D872 PolarHBondContact O-N 2.77Å; V870-I873 PolarHBondContact O-N 3Å; V870-L874 HydrophobicContact CG1-CD1 3.76Å; V870-L874 HydrophobicContact CG1-CG 4.38Å; V870-L874 WeakPolarHBondContact O-CB 3.06Å; V870-L874 VanDerWaalsContact O-CG 3.31Å; V870-L874 WeakPolarHBondContact O-CG 3.17Å; V870-L874 PolarHBondContact O-N 3.17Å
871	D	54	Low	53.2	Low	118 Å²	118	119 Å²	119	63%	0.631	63%	0.629	S	S	*	*	H	α-helix	trans	-62.4	-39.3	175	-91.4	-11.4	0	0	0	112.2	D867 K868 L874 G875	D867-D871 PolarHBondContact O-N 2.88Å; K868-D871 PolarHBondContact O-N 3Å; D871-L874 PolarHBondContact O-N 3.44Å; D871-G875 PolarHBondContact O-N 2.91Å
872	D	57	Low	52	Low	118 Å²	118	117.6 Å²	117.6	63%	0.631	64%	0.635	S	S	*	*	H	α-helix	trans	-69.6	-38	176.1	-75.4	-24.9	0	0	0	111.5	K868 V870 G875	K868-D872 PolarHBondContact O-N 2.8Å; V870-D872 PolarHBondContact O-N 2.77Å; D872-G875 PolarHBondContact O-N 3.08Å
873	I	58.4	Low	50.4	Low	124 Å²	124	124 Å²	124	64%	0.636	66%	0.663	S	S	*	*	H	α-helix	trans	-67.7	-35	174.9	-73.7	166.9	0	0	0	112.3	E869 V870 G875	E869-I873 HydrophobicContact CG-CD1 4.06Å; E869-I873 WeakPolarHBondContact O-CB 3.34Å; E869-I873 WeakPolarHBondContact O-CD1 3.35Å; E869-I873 WeakPolarHBondContact O-CG1 3.21Å; E869-I873 PolarHBondContact O-N 3.4Å; V870-I873 PolarHBondContact O-N 3Å; I873-G875 VanDerWaalsContact C-N 3.34Å
874	L	48.8	Very low	48.9	Very low	122 Å²	122	123.8 Å²	123.8	64%	0.639	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-3	177	-64	175.8	0	0	0	113.3	V870 D871	V870-L874 HydrophobicContact CG1-CD1 3.76Å; V870-L874 HydrophobicContact CG1-CG 4.38Å; V870-L874 WeakPolarHBondContact O-CB 3.06Å; V870-L874 VanDerWaalsContact O-CG 3.31Å; V870-L874 WeakPolarHBondContact O-CG 3.17Å; V870-L874 PolarHBondContact O-N 3.17Å; D871-L874 PolarHBondContact O-N 3.44Å
875	G	45.3	Very low	47.4	Very low	58 Å²	58	131.9 Å²	131.9	60%	0.598	70%	0.704	S	S	*	*	S	Bend	trans	-87.4	-15.4	-176.5	0	0	0	0	0	115.8	D871 D872 I873	D871-G875 PolarHBondContact O-N 2.91Å; D872-G875 PolarHBondContact O-N 3.08Å; I873-G875 VanDerWaalsContact C-N 3.34Å
876	E	44.4	Very low	45.5	Very low	191 Å²	191	132.2 Å²	132.2	89%	0.893	72%	0.719	S	S	*	*	S	Bend	trans	-110	32.2	-172.2	-63.2	-153.8	167.3	0	0	115.3
877	E	35.1	Very low	43.8	Very low	172 Å²	172	135.2 Å²	135.2	80%	0.804	73%	0.729	S	S	*	*	S	Bend	trans	-128.5	149.5	159.7	71.9	170.3	172.2	0	0	114.8
878	S	33	Very low	42.1	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	74%	0.737	S	S	*	*			trans	62.5	97.3	-178.1	-174.5	0	0	0	0	117.8
879	D	33.8	Very low	40.3	Very low	150 Å²	150	140.6 Å²	140.6	80%	0.802	75%	0.75	S	S	*	*				-157.7	103.8	115.5	-127.5	4	0	0	0	113.2
880	N	31.5	Very low	39.3	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	76%	0.759	S	S	*	*			trans	178.1	101.3	138.6	-104.3	-76.8	0	0	0	112.5
881	E	33.3	Very low	37.4	Very low	198 Å²	198	140.1 Å²	140.1	93%	0.925	77%	0.772	S	S	*	*			trans	-109.5	130.5	147.6	-80.1	-143.5	129.3	0	0	109.9
882	S	32.1	Very low	36	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	78%	0.775	S	S	*	*			trans	-157.1	136.4	152.6	55	0	0	0	0	112.5
883	E	32.3	Very low	34.7	Very low	207 Å²	207	141.9 Å²	141.9	97%	0.967	78%	0.777	S	S	*	*			trans	-73.4	135.2	-178.5	-57.4	-177.2	107	0	0	112.7
884	G	29.8	Very low	33.4	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	79%	0.785	S	S	*	*			trans	-139.6	22.3	-162.8	0	0	0	0	0	119.9
885	R	28.3	Very low	32.8	Very low	252 Å²	252	145 Å²	145	95%	0.951	79%	0.794	S	S	*	*			trans	35.4	96.4	168.1	-73.5	-176.5	162.7	-150.9	-0.9	119.2
886	G	28.3	Very low	32.2	Very low	78 Å²	78	146.2 Å²	146.2	80%	0.804	80%	0.798	S	S	*	*				100.4	156.5	105.4	0	0	0	0	0	122.5
887	K	30.4	Very low	31.5	Very low	165 Å²	165	146.4 Å²	146.4	72%	0.717	80%	0.799	S	S	*	*			trans	71.4	120	156	-83.2	170.6	150.6	-76.7	0	121.1
888	E	27.5	Very low	31.5	Very low	155 Å²	155	147 Å²	147	72%	0.724	80%	0.802	S	S	*	*			trans	84.2	115.3	130.4	-73.8	156.8	-176.6	0	0	120.9
889	K	28.1	Very low	31.3	Very low	198 Å²	198	151.1 Å²	151.1	86%	0.861	81%	0.809	S	S	*	*			trans	-67.2	178	150.7	-45.3	-177.5	176.7	-173.5	0	109.7
890	P	46.9	Very low	31.1	Very low	120 Å²	120	153 Å²	153	78%	0.779	81%	0.813	S	S	*	*			cis	-143	171.9	4.7	42.3	-24.1	0	0	0	117.9
891	G	26.1	Very low	30.9	Very low	73 Å²	73	155 Å²	155	75%	0.753	82%	0.817	S	S	*	*			trans	74.6	176.3	148.2	0	0	0	0	0	118
892	N	24.7	Very low	30.5	Very low	127 Å²	127	153 Å²	153	68%	0.679	81%	0.808	S	S	*	*			cis	-166	151.7	-14.4	-154.7	42.1	0	0	0	109.7
893	E	29.6	Very low	30.8	Very low	146 Å²	146	153.7 Å²	153.7	68%	0.682	81%	0.81	S	S	*	*			trans	55.9	116.8	162	-73.1	148.5	-165.9	0	0	117.8
894	D	32.7	Very low	30.6	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	80%	0.797	S	S	*	*				74.5	150.5	87.7	-58.2	-27	0	0	0	113.8
895	I	34.9	Very low	30.7	Very low	162 Å²	162	154.3 Å²	154.3	83%	0.831	79%	0.793	S	S	*	*			cis	-145.1	163.8	25.1	-55.6	161.2	0	0	0	110.8
896	A	33.7	Very low	30.7	Very low	83 Å²	83	150.5 Å²	150.5	69%	0.686	79%	0.786	S	S	*	*			trans	94.7	159.1	156.6	0	0	0	0	0	116.5
897	E	29.9	Very low	31.5	Very low	195 Å²	195	151.8 Å²	151.8	91%	0.911	78%	0.78	S	S	*	*			cis	-117.4	-129.5	8.2	-64.9	179.5	121.6	0	0	113.4
898	E	34.3	Very low	31.4	Very low	186 Å²	186	153.4 Å²	153.4	87%	0.869	79%	0.79	S	S	*	*			trans	-126.7	171.2	-170.2	-64.1	174.5	155.2	0	0	109.6
899	E	28.2	Very low	31.7	Very low	194 Å²	194	151.2 Å²	151.2	91%	0.907	80%	0.798	S	S	*	*			cis	-139.5	-175.7	30.5	-64	-177.9	109.7	0	0	114.4
900	E	31.3	Very low	31.7	Very low	189 Å²	189	145.6 Å²	145.6	88%	0.883	80%	0.797	S	S	*	*			trans	-86.4	177	-172.2	-60.5	-169.2	111	0	0	113.7
901	E	26.8	Very low	30.9	Very low	192 Å²	192	149 Å²	149	90%	0.897	80%	0.802	S	S	*	*			cis	-134.3	172.5	28.2	-72.2	-173.8	90.4	0	0	115.5
902	Q	25.4	Very low	30.9	Very low	156 Å²	156	150.1 Å²	150.1	73%	0.729	80%	0.798	S	S	*	*			trans	-136.4	170.4	-172.2	-133.5	-169	88.5	0	0	110.2
903	P	36.8	Very low	30.9	Very low	125 Å²	125	150.1 Å²	150.1	81%	0.812	80%	0.803	S	S	*	*				-150.4	177.4	67.8	39.3	-18.2	0	0	0	117
904	Q	28.6	Very low	30.7	Very low	148 Å²	148	149 Å²	149	69%	0.692	81%	0.807	S	S	*	*			trans	-114.7	147.1	176.1	-71.4	-173.5	-9.3	0	0	114.5
905	Q	31.8	Very low	30.3	Very low	147 Å²	147	148.1 Å²	148.1	69%	0.687	81%	0.812	S	S	*	*			trans	40.9	131.4	134.4	-56.4	-176.4	28.5	0	0	123.6
906	Q	29.1	Very low	29.9	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	81%	0.807	S	S	*	*			trans	63.5	177.6	142.7	-68.7	-169.2	23.8	0	0	118.5
907	P	44.1	Very low	30.8	Very low	105 Å²	105	145.8 Å²	145.8	68%	0.682	81%	0.813	S	S	*	*			cis	-125.3	178.8	-14.5	32.5	-13	0	0	0	115
908	E	28.8	Very low	31.6	Very low	200 Å²	200	141.8 Å²	141.8	94%	0.935	80%	0.804	S	S	*	*			trans	39.7	174.3	151.7	-66.8	-158.4	127	0	0	123.1
909	A	34.3	Very low	31.3	Very low	108 Å²	108	138.3 Å²	138.3	89%	0.893	80%	0.8	S	S	*	*			trans	-117.8	152.1	-161.5	0	0	0	0	0	115.2
910	G	27.2	Very low	31.3	Very low	80 Å²	80	138.2 Å²	138.2	83%	0.825	80%	0.797	S	S	*	*			trans	-166	145.4	171.6	0	0	0	0	0	112.5
911	E	30	Very low	32	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	79%	0.792	S	S	*	*			trans	-92.2	155.5	-171.5	-60.2	178.5	88.6	0	0	114.6
912	S	27.1	Very low	32.1	Very low	96 Å²	96	133.4 Å²	133.4	67%	0.671	79%	0.79	S	S	*	*				138.2	137.1	108.7	69.3	0	0	0	0	116.9
913	T	25.1	Very low	32.2	Very low	127 Å²	127	129.3 Å²	129.3	78%	0.779	79%	0.79	S	S	*	*			trans	65.3	148.5	159.7	67	0	0	0	0	118.7
914	T	24.7	Very low	31.8	Very low	123 Å²	123	129.3 Å²	129.3	76%	0.755	79%	0.787	S	S	*	*			cis	-160.9	171.6	-8.2	12.5	0	0	0	0	112
915	S	25.3	Very low	31.8	Very low	131 Å²	131	129.2 Å²	129.2	92%	0.916	79%	0.787	S	S	*	*			trans	86	165.4	161.4	82.8	0	0	0	0	117.9
916	G	24.9	Very low	31.6	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	79%	0.788	S	S	*	*			trans	-151.9	-143.1	-153.9	0	0	0	0	0	117.4
917	P	53.2	Low	31.5	Very low	126 Å²	126	129.3 Å²	129.3	82%	0.818	78%	0.78	S	S	*	*			trans	-98.6	-178.8	-139	42.2	-42.2	0	0	0	114.9
918	P	46.3	Very low	30.7	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	78%	0.784	S	S	*	*				-155.7	174.5	95.7	40.3	-21.4	0	0	0	118.8
919	S	27.6	Very low	30.7	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	78%	0.779	S	S	*	*			trans	82.2	137.7	138.7	61.2	0	0	0	0	124
920	K	29.9	Very low	30.3	Very low	192 Å²	192	130.3 Å²	130.3	84%	0.835	77%	0.769	S	S	*	*			trans	-89.1	-178.4	153.8	-60.6	-177.9	176.4	-175.3	0	110.3
921	P	45.5	Very low	30.5	Very low	120 Å²	120	131.7 Å²	131.7	78%	0.779	77%	0.765	S	S	*	*				-141.5	-173.5	106.8	38.6	-25	0	0	0	115.9
922	D	28.5	Very low	31.1	Very low	160 Å²	160	128.4 Å²	128.4	86%	0.856	76%	0.761	S	S	*	*			trans	-75.6	-179.3	-178.7	-41.3	-90.4	0	0	0	113.2
923	G	27.8	Very low	32.1	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	77%	0.766	S	S	*	*			cis	-179.2	-174.9	4.2	0	0	0	0	0	106.7
924	V	27.3	Very low	32.7	Very low	126 Å²	126	128.2 Å²	128.2	76%	0.764	76%	0.762	S	S	*	*			cis	176.9	141.6	40.2	155.8	0	0	0	0	107.6
925	E	28.9	Very low	33	Very low	146 Å²	146	129.7 Å²	129.7	68%	0.682	77%	0.765	S	S	*	*			trans	46.5	168.8	158.9	-66.6	-175.6	116.8	0	0	121.2	R927	E925-R927 IonicContact OE1-CZ 3.45Å; E925-R927 IonicContact OE1-NH1 3.25Å; E925-R927 PolarHBondContact OE1-NH1 2.96Å; E925-R927 IonicContact OE1-NH2 2.75Å; E925-R927 PolarHBondContact OE1-NH2 2.89Å
926	E	27.2	Very low	33.4	Very low	150 Å²	150	128.6 Å²	128.6	70%	0.701	76%	0.758	S	S	*	*			cis	-145.7	-166.5	10.8	-142	-145.6	126.9	0	0	115
927	R	27.9	Very low	33.8	Very low	171 Å²	171	130 Å²	130	65%	0.645	76%	0.757	S	S	*	*			trans	-79.3	167.1	-159.7	-64.1	159.9	-165.8	88.8	17.7	113.8	E925	E925-R927 IonicContact OE1-CZ 3.45Å; E925-R927 IonicContact OE1-NH1 3.25Å; E925-R927 PolarHBondContact OE1-NH1 2.96Å; E925-R927 IonicContact OE1-NH2 2.75Å; E925-R927 PolarHBondContact OE1-NH2 2.89Å
928	L	27.4	Very low	32.7	Very low	148 Å²	148	131.4 Å²	131.4	78%	0.775	76%	0.756	S	S	*	*			cis	-128.2	-122.9	15.8	-142.8	-173.4	0	0	0	112.1
929	Q	28.1	Very low	31.8	Very low	176 Å²	176	130.5 Å²	130.5	82%	0.822	75%	0.753	S	S	*	*			cis	-135	-157	5.4	-63	-172.3	6	0	0	111.5
930	T	26.1	Very low	31.8	Very low	110 Å²	110	132.6 Å²	132.6	68%	0.675	75%	0.75	S	S	*	*			trans	-125.8	106.4	-150.8	52.6	0	0	0	0	118.2
931	S	32.2	Very low	31.8	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	75%	0.746	S	S	*	*				27.9	140.2	126.5	60.6	0	0	0	0	124.5
932	P	42.2	Very low	30.8	Very low	124 Å²	124	128.8 Å²	128.8	81%	0.805	75%	0.745	S	S	*	*			trans	-100.3	172.5	155.9	40.2	-33.4	0	0	0	114.1
933	P	47.6	Very low	31.9	Very low	121 Å²	121	126.2 Å²	126.2	79%	0.786	74%	0.737	S	S	*	*			trans	-118.7	166.4	174.3	40.2	-30	0	0	0	114.9
934	S	39	Very low	31.9	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	75%	0.746	S	S	*	*			cis	-167.5	-176.9	-24.2	66	0	0	0	0	111.3
935	D	30.6	Very low	31.8	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	74%	0.743	S	S	*	*			trans	73.8	125.8	168.7	-58.9	12.6	0	0	0	116.7
936	S	33.3	Very low	31.8	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	75%	0.751	S	S	*	*			cis	-165.5	177	-7.8	90.7	0	0	0	0	107.3
937	S	32.7	Very low	31.9	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	75%	0.753	S	S	*	*			cis	-170.6	-168.7	-12.4	48.3	0	0	0	0	106.2
938	L	31.5	Very low	31.9	Very low	155 Å²	155	136.8 Å²	136.8	81%	0.812	76%	0.762	S	S	*	*			cis	-152.6	-61.6	4.5	-150.6	172.5	0	0	0	112.9
939	S	27.4	Very low	31.9	Very low	91 Å²	91	137.6 Å²	137.6	64%	0.636	76%	0.759	S	S	*	*			trans	-158.5	157.5	-162.5	54.1	0	0	0	0	111.6
940	E	27.7	Very low	31.9	Very low	157 Å²	157	135.6 Å²	135.6	73%	0.734	75%	0.749	S	S	*	*			cis	-159.7	157.4	9.7	-136.7	-176	133.6	0	0	112.2
941	N	28.2	Very low	32.3	Very low	140 Å²	140	136.6 Å²	136.6	75%	0.749	75%	0.75	S	S	*	*			trans	60.5	148	155.3	-60.6	-35.9	0	0	0	123.3
942	A	25.9	Very low	32.3	Very low	91 Å²	91	137 Å²	137	75%	0.752	75%	0.753	S	S	*	*			trans	-129.2	-165.6	176.3	0	0	0	0	0	108.5
943	P	50.5	Low	31.8	Very low	106 Å²	106	133.9 Å²	133.9	69%	0.688	74%	0.744	S	S	*	*			cis	-142.1	-169.8	0.8	44.3	-25.2	0	0	0	116.1
944	R	27.8	Very low	31.4	Very low	246 Å²	246	136.7 Å²	136.7	93%	0.928	75%	0.746	S	S	*	*			trans	68.9	159.5	167.7	-63.6	170.9	170.9	162	-4.3	116.2
945	G	26.5	Very low	31.4	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	75%	0.753	S	S	*	*			cis	153.6	118.4	-14.8	0	0	0	0	0	116
946	Q	28.9	Very low	31.9	Very low	181 Å²	181	141 Å²	141	85%	0.846	76%	0.756	S	S	*	*			trans	67.8	125.3	163	-59.2	-169.6	5.3	0	0	121.9
947	K	27.8	Very low	32.2	Very low	172 Å²	172	145 Å²	145	75%	0.748	76%	0.762	S	S	*	*			trans	59	127	133.6	-74.5	-179.7	175.8	172.7	0	122.9
948	R	28.4	Very low	32.4	Very low	220 Å²	220	147.6 Å²	147.6	83%	0.83	77%	0.769	S	S	*	*			trans	87	126.5	132.6	-79	177.6	170.4	-178.5	-4.3	121.6
949	K	26.9	Very low	32.7	Very low	165 Å²	165	143.2 Å²	143.2	72%	0.717	76%	0.755	S	S	*	*			trans	64.2	126.8	135.9	-93.6	-170.9	159.9	-91.3	0	121.1
950	H	29.4	Very low	33.2	Very low	134 Å²	134	145.5 Å²	145.5	62%	0.62	76%	0.76	S	S	*	*			trans	64.1	157.4	148.1	-72.8	-80.5	0	0	0	117.4
951	D	33.2	Very low	33.7	Very low	130 Å²	130	145.4 Å²	145.4	70%	0.695	76%	0.761	S	S	*	*			cis	-152.9	-176.3	0.1	-125.7	-22.2	0	0	0	112.3
952	S	32.4	Very low	33.9	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	76%	0.76	S	S	*	*			trans	72.5	150.3	165.2	69.4	0	0	0	0	117.9
953	G	32	Very low	34.2	Very low	59 Å²	59	146.5 Å²	146.5	61%	0.608	76%	0.757	S	S	*	*			cis	-112.9	156	-6.4	0	0	0	0	0	112.4
954	E	40.6	Very low	33.6	Very low	179 Å²	179	150.7 Å²	150.7	84%	0.836	76%	0.764	S	S	*	*				87.2	106.4	81.9	-73.4	173.4	179.6	0	0	111.9
955	D	38.6	Very low	33.7	Very low	153 Å²	153	147.2 Å²	147.2	82%	0.818	76%	0.759	S	S	*	*			cis	-130.6	-94.7	-12.3	-91.5	-44.5	0	0	0	114.3
956	E	41.1	Very low	33.8	Very low	189 Å²	189	153.1 Å²	153.1	88%	0.883	77%	0.765	S	S	*	*			cis	-141.7	-166.2	6.8	-62	-175.6	98.5	0	0	111.6
957	E	40.1	Very low	33.7	Very low	192 Å²	192	154.5 Å²	154.5	90%	0.897	76%	0.763	S	S	*	*			trans	-70.1	156	-176.6	-72.5	177.6	-177.8	0	0	115.9
958	D	36.1	Very low	33.5	Very low	156 Å²	156	155.8 Å²	155.8	83%	0.834	76%	0.763	S	S	*	*			cis	-156.8	-167.8	-10.7	179.7	49.8	0	0	0	109.1
959	A	38.5	Very low	33.4	Very low	63 Å²	63	151.1 Å²	151.1	52%	0.521	75%	0.754	S	S	.	*			trans	-142	-177.5	-137.2	0	0	0	0	0	118.6
960	D	35.9	Very low	33.3	Very low	138 Å²	138	149 Å²	149	74%	0.738	76%	0.761	S	S	*	*			trans	71.2	150.6	151.9	-67.4	-10.9	0	0	0	120.6
961	M	38.2	Very low	33.2	Very low	156 Å²	156	146.3 Å²	146.3	77%	0.768	76%	0.761	S	S	*	*			cis	-170.3	166	-10.6	-110.2	-167.4	-157.2	0	0	107.6
962	E	33.7	Very low	33	Very low	156 Å²	156	147.2 Å²	147.2	73%	0.729	77%	0.766	S	S	*	*			cis	-166	174.7	-18.9	-149.3	-76.5	103.1	0	0	107.4
963	S	31.2	Very low	32.9	Very low	97 Å²	97	149.1 Å²	149.1	68%	0.678	76%	0.762	S	S	*	*			trans	101.3	147.4	145.6	83.1	0	0	0	0	120.1
964	K	37.9	Very low	32.7	Very low	194 Å²	194	151 Å²	151	84%	0.843	77%	0.766	S	S	*	*			trans	-116.7	134.4	177.8	-62	172.1	178.3	173	0	110.7
965	Q	30.2	Very low	32.5	Very low	174 Å²	174	147.6 Å²	147.6	81%	0.813	76%	0.762	S	S	*	*			trans	-171.5	151.9	152.5	-150.2	75.2	-39.8	0	0	112.2
966	K	28.9	Very low	32.1	Very low	190 Å²	190	148.1 Å²	148.1	83%	0.826	76%	0.757	S	S	*	*			trans	65.7	142.4	167.7	-68.1	173.9	-176	178.2	0	115.8
967	R	26	Very low	31.6	Very low	211 Å²	211	144.2 Å²	144.2	80%	0.796	74%	0.742	S	S	*	*			cis	67.4	116.7	6.5	-95.2	-168.1	-175.6	-160.8	2.8	118.6
968	R	25.3	Very low	31.2	Very low	198 Å²	198	139.2 Å²	139.2	75%	0.747	73%	0.729	S	S	*	*			trans	75.2	146	149.3	-65.2	-170.3	163.5	-155.8	0.1	117.1
969	D	25.1	Very low	30.9	Very low	122 Å²	122	138.3 Å²	138.3	65%	0.652	72%	0.724	S	S	*	*			cis	-159.6	178.7	-5.3	-101.3	-20.8	0	0	0	109.5
970	S	26.1	Very low	30.7	Very low	122 Å²	122	143.3 Å²	143.3	85%	0.853	74%	0.736	S	S	*	*			trans	95.5	147	162.5	75.4	0	0	0	0	119.8
971	A	26.8	Very low	30.9	Very low	76 Å²	76	145.3 Å²	145.3	63%	0.628	74%	0.741	S	S	*	*			cis	-178.9	171.2	-28.9	0	0	0	0	0	108.8
972	D	28	Very low	30.8	Very low	149 Å²	149	147.2 Å²	147.2	80%	0.797	75%	0.748	S	S	*	*			trans	66.4	130.9	160	-54.4	-18.8	0	0	0	117.7
973	E	30.8	Very low	31.4	Very low	157 Å²	157	149.2 Å²	149.2	73%	0.734	76%	0.757	S	S	*	*			cis	-140.6	148	-3.8	-85	-127.1	-162.3	0	0	108.8
974	S	28.8	Very low	31.6	Very low	100 Å²	100	148.3 Å²	148.3	70%	0.699	76%	0.763	S	S	*	*				52.1	121	90.1	128.2	0	0	0	0	113.1
975	S	36.3	Very low	31.8	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	76%	0.759	S	S	*	*			cis	-119.4	171.3	44	61.3	0	0	0	0	114.3
976	K	29.8	Very low	32.6	Very low	163 Å²	163	140.5 Å²	140.5	71%	0.709	75%	0.752	S	S	*	*				57.8	133.6	53.6	-104.8	178.8	155.1	-76.9	0	112.4
977	D	29.1	Very low	34	Very low	108 Å²	108	133.5 Å²	133.5	58%	0.578	73%	0.728	S	S	*	*			cis	-138.8	140.6	11.5	-96.7	-71.1	0	0	0	108.7
978	S	32.8	Very low	35.1	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	72%	0.723	S	S	*	*				80	143.7	92.2	-53.3	0	0	0	0	115.7
979	N	29.3	Very low	36.6	Very low	136 Å²	136	124 Å²	124	73%	0.727	71%	0.711	S	S	*	*			trans	71.5	150.8	175.1	-57.6	27.9	0	0	0	115
980	E	33.9	Very low	38.1	Very low	168 Å²	168	123.3 Å²	123.3	79%	0.785	71%	0.707	S	S	*	*			cis	-146.6	168.3	1.9	-134.6	142.9	-125.5	0	0	110.3
981	E	42	Very low	40	Very low	181 Å²	181	124.1 Å²	124.1	85%	0.846	70%	0.698	S	S	*	*			trans	-83.3	142.5	171.3	-64.2	169.5	161	0	0	110.1
982	E	35.8	Very low	41.3	Very low	196 Å²	196	125.4 Å²	125.4	92%	0.916	69%	0.692	S	S	*	*			trans	-140.7	120.9	144.8	-82.1	-154.7	154.5	0	0	109.6	G984	E982-G984 PolarHBondContact O-N 3.03Å
983	E	44.9	Very low	43	Very low	197 Å²	197	120.6 Å²	120.6	92%	0.921	67%	0.673	S	S	*	*			trans	-75.7	97.2	169.7	-66.7	-176.4	125.2	0	0	108.8	S985	E983-S985 VanDerWaalsContact C-N 3.28Å; E983-S985 PolarHBondContact O-N 2.88Å
984	G	35.5	Very low	44.7	Very low	78 Å²	78	116 Å²	116	80%	0.804	66%	0.662	S	S	*	*			trans	-71.2	78.4	179.2	0	0	0	0	0	112.8	E982 S986	E982-G984 PolarHBondContact O-N 3.03Å; G984-S986 PolarHBondContact O-N 3.5Å
985	S	42.8	Very low	46.1	Very low	107 Å²	107	113.8 Å²	113.8	75%	0.748	65%	0.649	S	S	*	*			trans	-12.2	107.3	168.8	-175.6	0	0	0	0	114.9	E983 S987	E983-S985 VanDerWaalsContact C-N 3.28Å; E983-S985 PolarHBondContact O-N 2.88Å; S985-S987 PolarHBondContact O-N 2.84Å
986	S	45.9	Very low	47.4	Very low	97 Å²	97	114.1 Å²	114.1	68%	0.678	64%	0.642	S	S	*	*			trans	-59.8	121.9	163.3	48.1	0	0	0	0	108.6	G984	G984-S986 PolarHBondContact O-N 3.5Å
987	S	59.5	Low	48.9	Very low	44 Å²	44	112.8 Å²	112.8	31%	0.308	64%	0.639	S	S	.	*			trans	-84.4	141.4	-174.9	85.3	0	0	0	0	111	S985 A989 D990 E991	S985-S987 PolarHBondContact O-N 2.84Å; S987-A989 PolarHBondContact O-N 3.48Å; S987-D990 WeakPolarHBondContact CB-OD2 3.49Å; S987-D990 PolarHBondContact N-OD2 3.24Å; S987-D990 WeakPolarHBondContact O-CB 3.27Å; S987-D990 PolarHBondContact O-N 3.23Å; S987-D990 VanDerWaalsContact OG-CG 3.3Å; S987-D990 PolarHBondContact OG-N 3.17Å; S987-D990 PolarHBondContact OG-OD2 2.93Å; S987-E991 PolarHBondContact O-N 3.37Å
988	E	49.5	Very low	50.3	Low	149 Å²	149	110.5 Å²	110.5	70%	0.696	64%	0.635	S	S	*	*	H	α-helix	trans	-55	-24.2	171.8	-159.4	-175.9	131.6	0	0	111.8	M992	E988-M992 HydrophobicContact CB-CE 4.5Å; E988-M992 HydrophobicContact CG-CE 4.16Å; E988-M992 WeakPolarHBondContact O-CB 3.38Å; E988-M992 WeakPolarHBondContact O-CG 3.35Å; E988-M992 PolarHBondContact O-N 3.18Å
989	A	56.2	Low	51.4	Low	60 Å²	60	113.1 Å²	113.1	50%	0.496	64%	0.637	S	S	.	*	H	α-helix	trans	-73.3	-29.5	173.8	0	0	0	0	0	113.8	S987 A993	S987-A989 PolarHBondContact O-N 3.48Å; A989-A993 VanDerWaalsContact O-CB 3.25Å; A989-A993 WeakPolarHBondContact O-CB 3.47Å; A989-A993 PolarHBondContact O-N 2.88Å
990	D	55.7	Low	52.4	Low	108 Å²	108	111.8 Å²	111.8	58%	0.578	63%	0.63	S	S	*	*	H	α-helix	trans	-73	-37.7	173.8	-61.9	-66.4	0	0	0	110.8	S987 A993 A994	S987-D990 WeakPolarHBondContact CB-OD2 3.49Å; S987-D990 PolarHBondContact N-OD2 3.24Å; S987-D990 WeakPolarHBondContact O-CB 3.27Å; S987-D990 PolarHBondContact O-N 3.23Å; S987-D990 VanDerWaalsContact OG-CG 3.3Å; S987-D990 PolarHBondContact OG-N 3.17Å; S987-D990 PolarHBondContact OG-OD2 2.93Å; D990-A993 PolarHBondContact O-N 2.98Å; D990-A994 WeakPolarHBondContact O-CB 3.48Å; D990-A994 PolarHBondContact O-N 3.4Å
991	E	65.8	Low	52.9	Low	138 Å²	138	108.9 Å²	108.9	65%	0.645	62%	0.619	S	S	*	*	H	α-helix	trans	-70.1	-41.1	173.8	-64.6	-165.3	153.8	0	0	111.8	S987 A993 A994 A995	S987-E991 PolarHBondContact O-N 3.37Å; E991-A993 VanDerWaalsContact C-N 3.34Å; E991-A993 PolarHBondContact O-N 3.31Å; E991-A994 PolarHBondContact O-N 3.3Å; E991-A995 WeakPolarHBondContact O-CB 3.28Å; E991-A995 PolarHBondContact O-N 3.3Å
992	M	55.2	Low	52.9	Low	103 Å²	103	107.6 Å²	107.6	51%	0.507	62%	0.619	S	S	.	*	H	α-helix	trans	-62.7	-37.6	170.4	-81.4	-170.6	-84.6	0	0	112.7	E988 A995 L996	E988-M992 HydrophobicContact CB-CE 4.5Å; E988-M992 HydrophobicContact CG-CE 4.16Å; E988-M992 WeakPolarHBondContact O-CB 3.38Å; E988-M992 WeakPolarHBondContact O-CG 3.35Å; E988-M992 PolarHBondContact O-N 3.18Å; M992-A995 PolarHBondContact O-N 2.92Å; M992-L996 WeakPolarHBondContact O-CB 3.27Å; M992-L996 VanDerWaalsContact O-CG 3.28Å; M992-L996 WeakPolarHBondContact O-CG 3.21Å; M992-L996 PolarHBondContact O-N 3.34Å
993	A	63.5	Low	52.9	Low	49 Å²	49	106.5 Å²	106.5	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-65	-44.4	175.1	0	0	0	0	0	111.5	A989 D990 E991 L996 E997	A989-A993 VanDerWaalsContact O-CB 3.25Å; A989-A993 WeakPolarHBondContact O-CB 3.47Å; A989-A993 PolarHBondContact O-N 2.88Å; D990-A993 PolarHBondContact O-N 2.98Å; E991-A993 VanDerWaalsContact C-N 3.34Å; E991-A993 PolarHBondContact O-N 3.31Å; A993-L996 PolarHBondContact O-N 3.37Å; A993-E997 PolarHBondContact O-N 3.29Å
994	A	66.6	Low	52.6	Low	60 Å²	60	105.4 Å²	105.4	50%	0.496	61%	0.608	S	S	.	*	H	α-helix	trans	-65	-37.1	175.6	0	0	0	0	0	112.7	D990 E991 A998	D990-A994 WeakPolarHBondContact O-CB 3.48Å; D990-A994 PolarHBondContact O-N 3.4Å; E991-A994 PolarHBondContact O-N 3.3Å; A994-A998 WeakPolarHBondContact O-CB 3.27Å; A994-A998 PolarHBondContact O-N 2.73Å
995	A	59.1	Low	53.4	Low	53 Å²	53	106.8 Å²	106.8	44%	0.438	60%	0.598	S	S	.	*	H	α-helix	trans	-65.9	-44.7	174.1	0	0	0	0	0	111.7	E991 M992 A998 E999	E991-A995 WeakPolarHBondContact O-CB 3.28Å; E991-A995 PolarHBondContact O-N 3.3Å; M992-A995 PolarHBondContact O-N 2.92Å; A995-A998 WeakPolarHBondContact O-CB 3.45Å; A995-A998 PolarHBondContact O-N 3.26Å; A995-E999 PolarHBondContact O-N 2.88Å
996	L	61.7	Low	54	Low	114 Å²	114	106.8 Å²	106.8	60%	0.597	59%	0.59	S	S	*	*	H	α-helix	trans	-65.9	-38.3	176	-73.4	168.9	0	0	0	112.3	M992 A993 A998 L1000	M992-L996 WeakPolarHBondContact O-CB 3.27Å; M992-L996 VanDerWaalsContact O-CG 3.28Å; M992-L996 WeakPolarHBondContact O-CG 3.21Å; M992-L996 PolarHBondContact O-N 3.34Å; A993-L996 PolarHBondContact O-N 3.37Å; L996-A998 VanDerWaalsContact C-N 3.33Å; L996-L1000 WeakPolarHBondContact O-CB 3.42Å; L996-L1000 PolarHBondContact O-N 2.77Å
997	E	62.3	Low	54.4	Low	136 Å²	136	107.3 Å²	107.3	64%	0.636	59%	0.585	S	S	*	*	H	α-helix	trans	-67.6	-31.7	171.9	-75.4	-166.7	167.4	0	0	112.4	A993 N1001	A993-E997 PolarHBondContact O-N 3.29Å; E997-N1001 WeakPolarHBondContact O-CB 3.45Å; E997-N1001 PolarHBondContact O-N 3.18Å; E997-N1001 VanDerWaalsContact O-N 3.11Å; E997-N1001 PolarHBondContact O-ND2 3.13Å
998	A	59.1	Low	54.1	Low	60 Å²	60	111.1 Å²	111.1	50%	0.496	60%	0.602	S	S	.	*	H	α-helix	trans	-68.9	-49.2	173.6	0	0	0	0	0	111.6	A994 A995 L996 L1000 N1001 D1002	A994-A998 WeakPolarHBondContact O-CB 3.27Å; A994-A998 PolarHBondContact O-N 2.73Å; A995-A998 WeakPolarHBondContact O-CB 3.45Å; A995-A998 PolarHBondContact O-N 3.26Å; L996-A998 VanDerWaalsContact C-N 3.33Å; A998-L1000 VanDerWaalsContact C-N 3.34Å; A998-L1000 PolarHBondContact O-N 2.85Å; A998-N1001 PolarHBondContact O-N 2.66Å; A998-D1002 PolarHBondContact O-N 3.49Å
999	E	55.9	Low	54.4	Low	141 Å²	141	108.7 Å²	108.7	66%	0.659	60%	0.596	S	S	*	*	H	α-helix	trans	-62	-39.4	175.7	-71.7	-170	161.2	0	0	112	A995 N1001 D1002 F1003	A995-E999 PolarHBondContact O-N 2.88Å; E999-N1001 VanDerWaalsContact C-N 3.31Å; E999-N1001 PolarHBondContact O-N 3.1Å; E999-D1002 PolarHBondContact O-N 2.94Å; E999-F1003 WeakPolarHBondContact O-CB 3.26Å; E999-F1003 PolarHBondContact O-N 3.09Å; E999-F1003 VanDerWaalsContact O-N 3.09Å
1000	L	49.7	Very low	54.3	Low	109 Å²	109	111.9 Å²	111.9	57%	0.571	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-32.3	177.3	-157.2	78.3	0	0	0	112.3	L996 A998 F1003 M1004	L996-L1000 WeakPolarHBondContact O-CB 3.42Å; L996-L1000 PolarHBondContact O-N 2.77Å; A998-L1000 VanDerWaalsContact C-N 3.34Å; A998-L1000 PolarHBondContact O-N 2.85Å; L1000-F1003 PolarHBondContact O-N 2.73Å; L1000-M1004 WeakPolarHBondContact O-CE 3.4Å; L1000-M1004 WeakPolarHBondContact O-CG 3.21Å
1001	N	45.3	Very low	54.2	Low	106 Å²	106	112.2 Å²	112.2	57%	0.567	60%	0.604	S	S	*	*	H	α-helix	trans	-77.5	-24.5	174.2	-80.1	-57.1	0	0	0	113.6	E997 A998 E999 F1003 M1004	E997-N1001 WeakPolarHBondContact O-CB 3.45Å; E997-N1001 PolarHBondContact O-N 3.18Å; E997-N1001 VanDerWaalsContact O-N 3.11Å; E997-N1001 PolarHBondContact O-ND2 3.13Å; A998-N1001 PolarHBondContact O-N 2.66Å; E999-N1001 VanDerWaalsContact C-N 3.31Å; E999-N1001 PolarHBondContact O-N 3.1Å; N1001-F1003 VanDerWaalsContact C-N 3.27Å; N1001-M1004 WeakPolarHBondContact OD1-CE 3.29Å
1002	D	41.3	Very low	53.3	Low	155 Å²	155	110.2 Å²	110.2	83%	0.829	60%	0.601	S	S	*	*	H	α-helix	trans	-82.2	-9	171.3	-143.7	46	0	0	0	111.9	A998 E999	A998-D1002 PolarHBondContact O-N 3.49Å; E999-D1002 PolarHBondContact O-N 2.94Å
1003	F	34.7	Very low	53.1	Low	173 Å²	173	110.8 Å²	110.8	76%	0.759	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-2.9	177.1	-160.2	-93.3	0	0	0	114.1	E999 L1000 N1001	E999-F1003 WeakPolarHBondContact O-CB 3.26Å; E999-F1003 PolarHBondContact O-N 3.09Å; E999-F1003 VanDerWaalsContact O-N 3.09Å; L1000-F1003 PolarHBondContact O-N 2.73Å; N1001-F1003 VanDerWaalsContact C-N 3.27Å
1004	M	38.7	Very low	52.2	Low	174 Å²	174	116.5 Å²	116.5	86%	0.857	63%	0.628	S	S	*	*			trans	-111.4	0	-175.5	-75.5	-169.7	-70.5	0	0	114.7	L1000 N1001	L1000-M1004 WeakPolarHBondContact O-CE 3.4Å; L1000-M1004 WeakPolarHBondContact O-CG 3.21Å; N1001-M1004 WeakPolarHBondContact OD1-CE 3.29Å

Retrieved 1,004 of 1,004 residues in 694.6 ms (Link to these results)

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