A0A087YEL2_POEFO Loading...

PPFIA binding protein 1b

May regulate the disassembly of focal adhesions. Did not bind receptor-like tyrosine phosphatases type 2A.

AlphaFold DB , UniProt , Accession A0A087YEL2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 931 aa.

						>A0A087YEL2_POEFO|A0A087YEL2
MMSDASDMLAAALEQMDGIIAGSKALDYSNGLFDCQSPTSPFMGSLRALHLLEDLRSVIELMDTEERESLRCQIPDSTADSLVEWLHGNLSNGHISLGGGDHYQERLSRLEGDKESLVLQVSVLTDQVEAQGEKIRDLDICLDEHREKLNATEEMLQQELLCRTALETQKLELMSEVSNLKLKLNSLDKDRLDFDRFRDSEEELLSLRRQLEGKDGEMRRLQDDTVFKPAATSSPDGLERVSHPDETLRKRLKEKHVEVQRMKKAVESLMAANEEKDRKIEELKQSLLRYKKVQDMVMSVQGKKEKTKDTEQLESPGDGSCLLLSGSSGSVESEKQDFTDAEQLQTKKPDELERLSGLSEDSSPSPSPADPVRLSEHAQTEGQSNQELSKNDGQVQSEDGNNEMSTSEENSKMSEKPPMNPSATLPASVVDDSFGSRKARSSFGKGFFKIRGGKKTSSSPNLDRSRSASAPMLAETERQGTDHLDLAGVPQRSSNSDSTHTLPTTPESRKKSKGIKKLFGKLKRSQSTTFNLDDNLPEGEFKRGGVRATAGPRLGWSRDFQRVNNEVDAPFARWSKDQVCDWLQEQGLGLYVNMARVWIHSGQTLLQASQQDLERELGIKQPLHRKKLQLALQALGSEEEDNKGKLDYNWVTRWLDDIGLPQYKSQFDEARVDGRMLHYMTVDDLLSLKVGSVLHHLSIKRAIQVLRLNNYEPNCLRRRPSDENNISPAEISQWTNHRVMEWLRSVDLAEYAPNLRGSGVHGGLMVLEPRFNVETMALLLNIPPNKTLLRRHLATHFSLLIGSEAQQLKQECLENPDYTLLTATTKVKPRKLSFGNFGMRKKKQEENEEYVCPMDVEMPKGRSFQKGFELQIYEDDLDRLEQMEDSEGTVRQIGAFSEGIQNLTSMLKDDEFFKEMSNSPNPSVTDEESNA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.8	Very low	64.3	Low	197 Å²	197	103.7 Å²	103.7	97%	0.97	60%	0.601	S	S	*	*				0	-54.5	0	-72.4	-107.5	-86.4	0	0	112.1	S3 D4	M1-S3 PolarHBondContact N-OG 3.35Å; M1-D4 WeakPolarHBondContact CA-OD2 3.34Å; M1-D4 PolarHBondContact N-OD1 3.45Å; M1-D4 PolarHBondContact N-OD2 2.95Å
2	M	46.1	Very low	64.9	Low	184 Å²	184	99 Å²	99	91%	0.906	58%	0.583	S	S	*	*			trans	-93.1	-24.8	167.3	-106.4	174.7	164.8	0	0	113.3
3	S	55.6	Low	65.6	Low	64 Å²	64	99.5 Å²	99.5	45%	0.448	58%	0.581	S	S	.	*	H	α-helix	trans	-56.5	-57.6	169.7	41.3	0	0	0	0	112.5	M1 A5 S6 D7	M1-S3 PolarHBondContact N-OG 3.35Å; S3-A5 PolarHBondContact O-N 3.49Å; S3-S6 WeakPolarHBondContact O-CA 3.31Å; S3-S6 VanDerWaalsContact O-CB 3.32Å; S3-S6 WeakPolarHBondContact O-CB 3.33Å; S3-S6 PolarHBondContact O-N 3.36Å; S3-D7 PolarHBondContact O-N 3.37Å
4	D	60.7	Low	66	Low	84 Å²	84	102.7 Å²	102.7	45%	0.449	59%	0.588	S	S	.	*	H	α-helix	trans	-61.8	-30.6	-162.9	-29	-42.6	0	0	0	112.7	M1 M8	M1-D4 WeakPolarHBondContact CA-OD2 3.34Å; M1-D4 PolarHBondContact N-OD1 3.45Å; M1-D4 PolarHBondContact N-OD2 2.95Å; D4-M8 VanDerWaalsContact O-CB 3.28Å; D4-M8 WeakPolarHBondContact O-CB 3.31Å; D4-M8 WeakPolarHBondContact O-CG 2.97Å; D4-M8 PolarHBondContact O-N 3.08Å
5	A	64.7	Low	65.9	Low	67 Å²	67	103.9 Å²	103.9	55%	0.554	59%	0.586	S	S	*	*	H	α-helix	trans	-71.3	-35.1	175	0	0	0	0	0	113	S3 L9	S3-A5 PolarHBondContact O-N 3.49Å; A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 3.1Å; A5-L9 VanDerWaalsContact O-N 3.1Å
6	S	64.8	Low	65.7	Low	79 Å²	79	104.9 Å²	104.9	55%	0.552	59%	0.586	S	S	*	*	H	α-helix	trans	-70.8	-42.9	174.7	-168.3	0	0	0	0	110.9	S3 L9 A10	S3-S6 WeakPolarHBondContact O-CA 3.31Å; S3-S6 VanDerWaalsContact O-CB 3.32Å; S3-S6 WeakPolarHBondContact O-CB 3.33Å; S3-S6 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 2.99Å; S6-A10 PolarHBondContact O-N 2.77Å
7	D	71.1	Confident	65.5	Low	102 Å²	102	105.5 Å²	105.5	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-68	-39.3	179.7	-58.3	-37.6	0	0	0	111.3	S3 A11	S3-D7 PolarHBondContact O-N 3.37Å; D7-A11 WeakPolarHBondContact O-CB 3.49Å; D7-A11 PolarHBondContact O-N 3.07Å
8	M	72.6	Confident	65.1	Low	144 Å²	144	100.1 Å²	100.1	71%	0.709	56%	0.559	S	S	*	*	H	α-helix	trans	-63.1	-39	170.9	-79	179.2	62.5	0	0	112.8	D4 A12	D4-M8 VanDerWaalsContact O-CB 3.28Å; D4-M8 WeakPolarHBondContact O-CB 3.31Å; D4-M8 WeakPolarHBondContact O-CG 2.97Å; D4-M8 PolarHBondContact O-N 3.08Å; M8-A12 WeakPolarHBondContact O-CB 3.48Å; M8-A12 PolarHBondContact O-N 3.01Å
9	L	72.1	Confident	64.8	Low	113 Å²	113	100.8 Å²	100.8	59%	0.592	56%	0.561	S	S	*	*	H	α-helix	trans	-68.6	-42.7	178.4	-169.8	71.5	0	0	0	111.4	A5 S6 A12 L13	A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 3.1Å; A5-L9 VanDerWaalsContact O-N 3.1Å; S6-L9 PolarHBondContact O-N 2.99Å; L9-A12 PolarHBondContact O-N 2.67Å; L9-L13 HydrophobicContact CG-CD1 4.38Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3Å
10	A	77.6	Confident	64.3	Low	59 Å²	59	102.6 Å²	102.6	49%	0.488	57%	0.568	S	S	.	*	H	α-helix	trans	-59.6	-47.5	174.8	0	0	0	0	0	111.6	S6 A12 L13 E14	S6-A10 PolarHBondContact O-N 2.77Å; A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 2.94Å; A10-L13 PolarHBondContact O-N 3.36Å; A10-E14 PolarHBondContact O-N 2.87Å
11	A	72.6	Confident	64.2	Low	48 Å²	48	101.5 Å²	101.5	40%	0.397	57%	0.572	S	S	.	*	H	α-helix	trans	-63.7	-32	176.8	0	0	0	0	0	113.3	D7 Q15	D7-A11 WeakPolarHBondContact O-CB 3.49Å; D7-A11 PolarHBondContact O-N 3.07Å; A11-Q15 WeakPolarHBondContact O-CG 3.39Å; A11-Q15 PolarHBondContact O-N 2.91Å; A11-Q15 VanDerWaalsContact O-N 3.1Å
12	A	70.6	Confident	64.1	Low	47 Å²	47	95 Å²	95	39%	0.388	56%	0.555	S	S	.	*	H	α-helix	trans	-71	-39.5	175.2	0	0	0	0	0	112.4	M8 L9 A10 Q15 M16	M8-A12 WeakPolarHBondContact O-CB 3.48Å; M8-A12 PolarHBondContact O-N 3.01Å; L9-A12 PolarHBondContact O-N 2.67Å; A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 2.94Å; A12-Q15 WeakPolarHBondContact O-CB 3.45Å; A12-Q15 PolarHBondContact O-N 3.34Å; A12-M16 PolarHBondContact O-N 3.23Å; A12-M16 VanDerWaalsContact O-N 3.07Å
13	L	74.3	Confident	64.4	Low	105 Å²	105	90.5 Å²	90.5	55%	0.55	54%	0.542	S	S	.	.	H	α-helix	trans	-66.7	-42.8	175.3	-68.2	168.1	0	0	0	111.4	L9 A10 Q15 M16 D17	L9-L13 HydrophobicContact CG-CD1 4.38Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3Å; A10-L13 PolarHBondContact O-N 3.36Å; L13-Q15 PolarHBondContact O-N 3.34Å; L13-M16 PolarHBondContact O-N 2.93Å; L13-D17 PolarHBondContact O-N 3.42Å
14	E	71	Confident	64.1	Low	145 Å²	145	92.4 Å²	92.4	68%	0.678	54%	0.542	S	S	*	.	H	α-helix	trans	-66	-22.1	174.1	-166.5	-177	-132.1	0	0	113.1	A10 G18 K24	A10-E14 PolarHBondContact O-N 2.87Å; E14-G18 PolarHBondContact O-N 3.41Å; E14-K24 PolarHBondContact O-NZ 2.92Å
15	Q	65.3	Low	63.3	Low	121 Å²	121	92.7 Å²	92.7	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-74.5	-41.6	166.7	-78.4	-171.4	14.9	0	0	112.7	A11 A12 L13 G18 I19	A11-Q15 WeakPolarHBondContact O-CG 3.39Å; A11-Q15 PolarHBondContact O-N 2.91Å; A11-Q15 VanDerWaalsContact O-N 3.1Å; A12-Q15 WeakPolarHBondContact O-CB 3.45Å; A12-Q15 PolarHBondContact O-N 3.34Å; L13-Q15 PolarHBondContact O-N 3.34Å; Q15-G18 PolarHBondContact O-N 3.36Å; Q15-I19 WeakPolarHBondContact O-CG1 3.39Å; Q15-I19 PolarHBondContact O-N 3.25Å
16	M	61.7	Low	62.2	Low	120 Å²	120	96 Å²	96	59%	0.591	56%	0.564	S	S	*	*	H	α-helix	trans	-64.2	-45.2	176.6	-71.6	-168.2	177.2	0	0	112.2	A12 L13 G18 I19 I20	A12-M16 PolarHBondContact O-N 3.23Å; A12-M16 VanDerWaalsContact O-N 3.07Å; L13-M16 PolarHBondContact O-N 2.93Å; M16-G18 VanDerWaalsContact C-N 3.29Å; M16-G18 PolarHBondContact O-N 3.12Å; M16-I19 WeakPolarHBondContact O-CB 3.43Å; M16-I19 PolarHBondContact O-N 2.93Å; M16-I20 WeakPolarHBondContact O-CG1 3.5Å; M16-I20 PolarHBondContact O-N 3.43Å
17	D	63.3	Low	60.9	Low	115 Å²	115	98.8 Å²	98.8	62%	0.615	57%	0.573	S	S	*	*	H	α-helix	trans	-59.7	-39.7	176.2	-102.5	14.7	0	0	0	111.8	L13 I19 I20 A21	L13-D17 PolarHBondContact O-N 3.42Å; D17-I19 PolarHBondContact O-N 3.35Å; D17-I20 PolarHBondContact O-N 3.26Å; D17-A21 WeakPolarHBondContact O-CB 3.42Å; D17-A21 PolarHBondContact O-N 3.45Å
18	G	58	Low	59.1	Low	7 Å²	7	104.3 Å²	104.3	7%	0.072	59%	0.588	C	S	.	*	H	α-helix	trans	-66	-21.2	174.7	0	0	0	0	0	114.7	E14 Q15 M16 S23 K24	E14-G18 PolarHBondContact O-N 3.41Å; Q15-G18 PolarHBondContact O-N 3.36Å; M16-G18 VanDerWaalsContact C-N 3.29Å; M16-G18 PolarHBondContact O-N 3.12Å; G18-S23 PolarHBondContact O-N 2.94Å; G18-S23 VanDerWaalsContact O-N 3.14Å; G18-S23 PolarHBondContact O-OG 3.27Å; G18-K24 PolarHBondContact O-N 3.35Å
19	I	58.8	Low	57.6	Low	114 Å²	114	101.7 Å²	101.7	59%	0.585	58%	0.584	S	S	*	*	H	α-helix	trans	-86.3	-44.4	174	-67.3	164.1	0	0	0	110	Q15 M16 D17 G22	Q15-I19 WeakPolarHBondContact O-CG1 3.39Å; Q15-I19 PolarHBondContact O-N 3.25Å; M16-I19 WeakPolarHBondContact O-CB 3.43Å; M16-I19 PolarHBondContact O-N 2.93Å; D17-I19 PolarHBondContact O-N 3.35Å; I19-G22 PolarHBondContact O-N 2.94Å; I19-G22 VanDerWaalsContact O-N 3.12Å
20	I	56.2	Low	55.8	Low	137 Å²	137	104.4 Å²	104.4	70%	0.703	60%	0.599	S	S	*	*	H	α-helix	trans	-67.5	-38.8	-179.2	-66	166.1	0	0	0	111.4	M16 D17 G22	M16-I20 WeakPolarHBondContact O-CG1 3.5Å; M16-I20 PolarHBondContact O-N 3.43Å; D17-I20 PolarHBondContact O-N 3.26Å; I20-G22 PolarHBondContact O-N 3.21Å
21	A	61	Low	53.6	Low	79 Å²	79	105 Å²	105	65%	0.653	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	1.8	173.9	0	0	0	0	0	113.9	D17 S23	D17-A21 WeakPolarHBondContact O-CB 3.42Å; D17-A21 PolarHBondContact O-N 3.45Å; A21-S23 PolarHBondContact O-N 3.37Å; A21-S23 VanDerWaalsContact O-N 3.16Å
22	G	48	Very low	52.1	Low	60 Å²	60	110.1 Å²	110.1	62%	0.619	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	10.6	178.7	0	0	0	0	0	115.4	I19 I20	I19-G22 PolarHBondContact O-N 2.94Å; I19-G22 VanDerWaalsContact O-N 3.12Å; I20-G22 PolarHBondContact O-N 3.21Å
23	S	53.6	Low	50.3	Low	90 Å²	90	116.1 Å²	116.1	63%	0.629	65%	0.648	S	S	*	*			trans	-87.1	-9.5	-173.1	57.9	0	0	0	0	114.4	G18 A21	G18-S23 PolarHBondContact O-N 2.94Å; G18-S23 VanDerWaalsContact O-N 3.14Å; G18-S23 PolarHBondContact O-OG 3.27Å; A21-S23 PolarHBondContact O-N 3.37Å; A21-S23 VanDerWaalsContact O-N 3.16Å
24	K	47.6	Very low	48.5	Very low	104 Å²	104	115.8 Å²	115.8	45%	0.452	65%	0.647	S	S	.	*			trans	-116.4	71.6	171.7	-68.5	173.6	-176.8	160.7	0	111.1	E14 G18 L26	E14-K24 PolarHBondContact O-NZ 2.92Å; G18-K24 PolarHBondContact O-N 3.35Å; K24-L26 PolarHBondContact O-N 2.93Å
25	A	43.6	Very low	46.7	Very low	91 Å²	91	115 Å²	115	75%	0.752	66%	0.656	S	S	*	*			trans	-62.3	114.2	160.5	0	0	0	0	0	108.5	D27	A25-D27 PolarHBondContact O-N 3.12Å
26	L	42.3	Very low	45.5	Very low	135 Å²	135	117.1 Å²	117.1	71%	0.707	67%	0.666	S	S	*	*			trans	-92.3	102.5	-172.2	-155.7	166.2	0	0	0	109.7	K24 Y28	K24-L26 PolarHBondContact O-N 2.93Å; L26-Y28 HydrophobicContact CD2-CD2 3.96Å; L26-Y28 HydrophobicContact CD2-CE2 3.94Å; L26-Y28 PolarHBondContact O-N 3.48Å
27	D	37.2	Very low	44.2	Very low	139 Å²	139	115.4 Å²	115.4	74%	0.743	67%	0.666	S	S	*	*			trans	-59.5	94.2	178.8	-80.8	-51.7	0	0	0	112.3	A25 S29	A25-D27 PolarHBondContact O-N 3.12Å; D27-S29 PolarHBondContact O-N 2.67Å
28	Y	34.6	Very low	43.3	Very low	217 Å²	217	116.2 Å²	116.2	85%	0.851	68%	0.677	S	S	*	*			trans	-76.5	59.6	166.7	-98.1	-83.4	0	0	0	111.3	L26	L26-Y28 HydrophobicContact CD2-CD2 3.96Å; L26-Y28 HydrophobicContact CD2-CE2 3.94Å; L26-Y28 PolarHBondContact O-N 3.48Å
29	S	40	Very low	42.7	Very low	90 Å²	90	121.2 Å²	121.2	63%	0.629	71%	0.707	S	S	*	*			trans	-102.1	60.8	179.2	54.4	0	0	0	0	112.4	D27	D27-S29 PolarHBondContact O-N 2.67Å
30	N	34.7	Very low	41.8	Very low	170 Å²	170	118.9 Å²	118.9	91%	0.909	70%	0.701	S	S	*	*			trans	-157.6	128	163.1	-102.4	-47.5	0	0	0	111.6
31	G	31.4	Very low	41.5	Very low	72 Å²	72	118.2 Å²	118.2	74%	0.742	71%	0.705	S	S	*	*			trans	136.9	56.4	178.1	0	0	0	0	0	115.3
32	L	40.5	Very low	40.9	Very low	154 Å²	154	122.6 Å²	122.6	81%	0.806	71%	0.71	S	S	*	*			trans	-73.5	147.8	162.1	-175.4	65.7	0	0	0	109.1
33	F	34.1	Very low	41	Very low	173 Å²	173	126.2 Å²	126.2	76%	0.759	71%	0.712	S	S	*	*			trans	74.7	138.8	-173	-60.4	-84.6	0	0	0	114.9
34	D	36.8	Very low	40.9	Very low	98 Å²	98	124.1 Å²	124.1	52%	0.524	71%	0.705	S	S	.	*			cis	-146.5	125.7	-6.9	-150.8	-22	0	0	0	111.1	Q36	D34-Q36 VanDerWaalsContact CG-NE2 3.31Å; D34-Q36 WeakPolarHBondContact OD1-CG 3.37Å; D34-Q36 PolarHBondContact OD1-NE2 3Å; D34-Q36 PolarHBondContact OD2-NE2 2.69Å
35	C	31.2	Very low	41.2	Very low	129 Å²	129	122 Å²	122	87%	0.872	70%	0.703	S	S	*	*			trans	-135.8	51.7	178.9	-86.1	0	0	0	0	111	S37	C35-S37 VanDerWaalsContact C-N 3.25Å; C35-S37 PolarHBondContact O-N 3.11Å
36	Q	41.1	Very low	41.8	Very low	166 Å²	166	122.3 Å²	122.3	78%	0.776	69%	0.691	S	S	*	*			trans	-64.8	81	167.3	-74.2	169.4	64.3	0	0	111.4	D34	D34-Q36 VanDerWaalsContact CG-NE2 3.31Å; D34-Q36 WeakPolarHBondContact OD1-CG 3.37Å; D34-Q36 PolarHBondContact OD1-NE2 3Å; D34-Q36 PolarHBondContact OD2-NE2 2.69Å
37	S	34.6	Very low	42.7	Very low	83 Å²	83	125 Å²	125	58%	0.58	69%	0.692	S	S	*	*			trans	-133.9	99.6	169.8	-172	0	0	0	0	109.9	C35 T39	C35-S37 VanDerWaalsContact C-N 3.25Å; C35-S37 PolarHBondContact O-N 3.11Å; S37-T39 PolarHBondContact O-N 2.96Å
38	P	43.8	Very low	43.8	Very low	132 Å²	132	120.6 Å²	120.6	86%	0.857	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	21.6	-167.1	32.8	-36.4	0	0	0	114.6
39	T	46.7	Very low	45.2	Very low	113 Å²	113	115.2 Å²	115.2	69%	0.693	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	18.5	-164.5	49.7	0	0	0	0	115.4	S37 P41	S37-T39 PolarHBondContact O-N 2.96Å; T39-P41 WeakPolarHBondContact O-CD 3.42Å
40	S	39.4	Very low	46.5	Very low	65 Å²	65	116.9 Å²	116.9	46%	0.455	66%	0.659	S	S	.	*			trans	-91.9	110.6	168.1	-179.2	0	0	0	0	111.2	F42	S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 PolarHBondContact O-N 2.79Å
41	P	50.2	Low	48.2	Very low	122 Å²	122	113.9 Å²	113.9	79%	0.792	64%	0.642	S	S	*	*	H	α-helix	trans	-68.3	-24.7	-177.2	-20	33.6	0	0	0	113.6	T39	T39-P41 WeakPolarHBondContact O-CD 3.42Å
42	F	47.8	Very low	50.1	Low	172 Å²	172	115.5 Å²	115.5	75%	0.754	63%	0.633	S	S	*	*	H	α-helix	trans	-92.9	-20.1	-165.2	-134.2	-88.6	0	0	0	114.6	S40 S45	S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 PolarHBondContact O-N 2.79Å; F42-S45 PolarHBondContact O-OG 2.83Å
43	M	49.3	Very low	51.6	Low	135 Å²	135	113.1 Å²	113.1	67%	0.665	62%	0.618	S	S	*	*	H	α-helix	trans	-92.5	-15.5	174.3	-66.1	-154.6	-59.4	0	0	113.5	S45 R47	M43-S45 VanDerWaalsContact C-N 3.35Å; M43-R47 PolarHBondContact O-N 3.5Å
44	G	52.4	Low	53.5	Low	47 Å²	47	109.6 Å²	109.6	49%	0.485	61%	0.607	S	S	.	*	H	α-helix	trans	-61.9	-41.5	174.6	0	0	0	0	0	112.5	R47 A48	G44-R47 PolarHBondContact O-N 3.13Å; G44-A48 WeakPolarHBondContact O-CB 3.48Å; G44-A48 PolarHBondContact O-N 3.25Å
45	S	54.1	Low	55.2	Low	58 Å²	58	109.9 Å²	109.9	41%	0.406	61%	0.608	S	S	.	*	H	α-helix	trans	-65.2	-46.5	177	53.6	0	0	0	0	112.5	F42 M43 R47 A48 L49	F42-S45 PolarHBondContact O-OG 2.83Å; M43-S45 VanDerWaalsContact C-N 3.35Å; S45-R47 VanDerWaalsContact C-N 3.27Å; S45-R47 PolarHBondContact O-N 3.01Å; S45-A48 PolarHBondContact O-N 3.16Å; S45-A48 VanDerWaalsContact O-N 3.13Å; S45-L49 WeakPolarHBondContact O-CB 3.37Å; S45-L49 VanDerWaalsContact O-CG 3.31Å; S45-L49 WeakPolarHBondContact O-CG 3.34Å; S45-L49 PolarHBondContact O-N 2.96Å
46	L	55.4	Low	57.3	Low	98 Å²	98	109.8 Å²	109.8	51%	0.513	59%	0.589	S	S	.	*	H	α-helix	trans	-60	-33.7	178.6	-91.8	155.4	0	0	0	113.5	H50	L46-H50 PolarHBondContact O-N 3.25Å; L46-H50 PolarHBondContact O-ND1 2.99Å
47	R	61.6	Low	58.8	Low	191 Å²	191	105 Å²	105	72%	0.721	57%	0.574	S	S	*	*	H	α-helix	trans	-77.4	-37.2	174.1	-161.9	177.9	-171.3	-157.4	1.8	112.4	M43 G44 S45 L51	M43-R47 PolarHBondContact O-N 3.5Å; G44-R47 PolarHBondContact O-N 3.13Å; S45-R47 VanDerWaalsContact C-N 3.27Å; S45-R47 PolarHBondContact O-N 3.01Å; R47-L51 WeakPolarHBondContact O-CG 3.28Å; R47-L51 PolarHBondContact O-N 3.05Å; R47-L51 VanDerWaalsContact O-N 3.14Å
48	A	60	Low	60.7	Low	48 Å²	48	105.1 Å²	105.1	40%	0.397	57%	0.571	S	S	.	*	H	α-helix	trans	-66.1	-36.8	173.9	0	0	0	0	0	112.3	G44 S45 L51 L52	G44-A48 WeakPolarHBondContact O-CB 3.48Å; G44-A48 PolarHBondContact O-N 3.25Å; S45-A48 PolarHBondContact O-N 3.16Å; S45-A48 VanDerWaalsContact O-N 3.13Å; A48-L51 PolarHBondContact O-N 3.23Å; A48-L52 WeakPolarHBondContact O-CB 3.49Å; A48-L52 VanDerWaalsContact O-CG 3.32Å; A48-L52 WeakPolarHBondContact O-CG 3.48Å; A48-L52 PolarHBondContact O-N 3.38Å
49	L	65.1	Low	62.1	Low	104 Å²	104	101.9 Å²	101.9	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-67.5	-44	177.1	-73.5	168.9	0	0	0	112.2	S45 L51 L52 E53	S45-L49 WeakPolarHBondContact O-CB 3.37Å; S45-L49 VanDerWaalsContact O-CG 3.31Å; S45-L49 WeakPolarHBondContact O-CG 3.34Å; S45-L49 PolarHBondContact O-N 2.96Å; L49-L51 PolarHBondContact O-N 2.95Å; L49-L52 PolarHBondContact O-N 2.93Å; L49-E53 PolarHBondContact O-N 2.92Å
50	H	65.9	Low	63.4	Low	125 Å²	125	101.9 Å²	101.9	58%	0.579	54%	0.538	S	S	*	.	H	α-helix	trans	-59	-47.4	171.6	-83.9	90.9	0	0	0	111.7	L46 L52 E53 D54	L46-H50 PolarHBondContact O-N 3.25Å; L46-H50 PolarHBondContact O-ND1 2.99Å; H50-L52 PolarHBondContact O-N 3.48Å; H50-E53 PolarHBondContact O-N 3.44Å; H50-E53 VanDerWaalsContact O-N 3.12Å; H50-D54 WeakPolarHBondContact O-CB 3.39Å; H50-D54 VanDerWaalsContact O-CG 3.28Å; H50-D54 PolarHBondContact O-N 3.39Å
51	L	71.9	Confident	65	Low	106 Å²	106	105.7 Å²	105.7	56%	0.555	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-29.6	177.6	-71.2	169.5	0	0	0	113	R47 A48 L49 L55	R47-L51 WeakPolarHBondContact O-CG 3.28Å; R47-L51 PolarHBondContact O-N 3.05Å; R47-L51 VanDerWaalsContact O-N 3.14Å; A48-L51 PolarHBondContact O-N 3.23Å; L49-L51 PolarHBondContact O-N 2.95Å; L51-L55 WeakPolarHBondContact O-CB 3.35Å; L51-L55 PolarHBondContact O-N 2.85Å
52	L	69.3	Low	66.3	Low	106 Å²	106	102.1 Å²	102.1	56%	0.555	53%	0.526	S	S	*	.	H	α-helix	trans	-72	-40.1	172.6	-80.8	164.3	0	0	0	112.2	A48 L49 H50 R56	A48-L52 WeakPolarHBondContact O-CB 3.49Å; A48-L52 VanDerWaalsContact O-CG 3.32Å; A48-L52 WeakPolarHBondContact O-CG 3.48Å; A48-L52 PolarHBondContact O-N 3.38Å; L49-L52 PolarHBondContact O-N 2.93Å; H50-L52 PolarHBondContact O-N 3.48Å; L52-R56 WeakPolarHBondContact O-CB 3.37Å; L52-R56 PolarHBondContact O-N 2.97Å
53	E	72.3	Confident	67.7	Low	105 Å²	105	98.1 Å²	98.1	49%	0.491	51%	0.512	S	S	.	.	H	α-helix	trans	-70	-39.6	177.1	-151.4	72.5	-119.8	0	0	111.4	L49 H50 R56 S57	L49-E53 PolarHBondContact O-N 2.92Å; H50-E53 PolarHBondContact O-N 3.44Å; H50-E53 VanDerWaalsContact O-N 3.12Å; E53-R56 PolarHBondContact O-N 3.01Å; E53-R56 WeakPolarHBondContact OE1-CD 3.43Å; E53-R56 IonicContact OE1-CZ 2.84Å; E53-R56 IonicContact OE1-NE 2.63Å; E53-R56 IonicContact OE1-NH1 3.21Å; E53-R56 PolarHBondContact OE1-NH1 3.08Å; E53-S57 WeakPolarHBondContact O-CB 3.34Å; E53-S57 PolarHBondContact O-N 3.36Å
54	D	75	Confident	68.7	Low	98 Å²	98	96.2 Å²	96.2	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-60.1	-50.5	171.5	-70.2	-29.7	0	0	0	111	H50 R56 S57 V58	H50-D54 WeakPolarHBondContact O-CB 3.39Å; H50-D54 VanDerWaalsContact O-CG 3.28Å; H50-D54 PolarHBondContact O-N 3.39Å; D54-R56 VanDerWaalsContact C-N 3.34Å; D54-R56 PolarHBondContact O-N 3.32Å; D54-S57 PolarHBondContact O-N 2.96Å; D54-V58 WeakPolarHBondContact O-CG2 3.43Å; D54-V58 PolarHBondContact O-N 3.39Å
55	L	72.1	Confident	69.8	Low	105 Å²	105	101.7 Å²	101.7	55%	0.55	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-39.6	179.1	-163.9	95.7	0	0	0	111.4	L51 V58 I59	L51-L55 WeakPolarHBondContact O-CB 3.35Å; L51-L55 PolarHBondContact O-N 2.85Å; L55-V58 PolarHBondContact O-N 3.17Å; L55-I59 HydrophobicContact CD2-CD1 3.85Å; L55-I59 HydrophobicContact CG-CD1 3.93Å; L55-I59 WeakPolarHBondContact O-CB 3.28Å; L55-I59 WeakPolarHBondContact O-CD1 3.31Å; L55-I59 VanDerWaalsContact O-CG1 3.24Å; L55-I59 WeakPolarHBondContact O-CG1 3.42Å; L55-I59 PolarHBondContact O-N 3.19Å
56	R	74.4	Confident	70.8	Confident	126 Å²	126	103.6 Å²	103.6	48%	0.475	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174	176.3	-174.4	166.3	-131.2	-16.9	111.1	L52 E53 D54 V58 I59 E60	L52-R56 WeakPolarHBondContact O-CB 3.37Å; L52-R56 PolarHBondContact O-N 2.97Å; E53-R56 PolarHBondContact O-N 3.01Å; E53-R56 WeakPolarHBondContact OE1-CD 3.43Å; E53-R56 IonicContact OE1-CZ 2.84Å; E53-R56 IonicContact OE1-NE 2.63Å; E53-R56 IonicContact OE1-NH1 3.21Å; E53-R56 PolarHBondContact OE1-NH1 3.08Å; D54-R56 VanDerWaalsContact C-N 3.34Å; D54-R56 PolarHBondContact O-N 3.32Å; R56-V58 VanDerWaalsContact C-N 3.32Å; R56-V58 PolarHBondContact O-N 3.39Å; R56-I59 PolarHBondContact O-N 3.38Å; R56-I59 VanDerWaalsContact O-N 3.14Å; R56-E60 HydrophobicContact CG-CG 4.35Å; R56-E60 IonicContact CZ-OE1 2.76Å; R56-E60 IonicContact CZ-OE2 3.79Å; R56-E60 IonicContact NE-OE1 2.65Å; R56-E60 PolarHBondContact NE-OE1 2.96Å; R56-E60 IonicContact NE-OE2 2.66Å; R56-E60 IonicContact NH2-OE1 2.76Å; R56-E60 PolarHBondContact NH2-OE1 3.02Å; R56-E60 IonicContact NH2-OE2 3.44Å; R56-E60 PolarHBondContact NH2-OE2 2.62Å; R56-E60 WeakPolarHBondContact O-CB 3.29Å; R56-E60 WeakPolarHBondContact O-CG 3.48Å; R56-E60 PolarHBondContact O-N 3.48Å
57	S	72.6	Confident	71.6	Confident	66 Å²	66	103.3 Å²	103.3	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-58.3	-44.1	178.3	-176.2	0	0	0	0	111.5	E53 D54 E60 L61	E53-S57 WeakPolarHBondContact O-CB 3.34Å; E53-S57 PolarHBondContact O-N 3.36Å; D54-S57 PolarHBondContact O-N 2.96Å; S57-E60 PolarHBondContact O-N 3.21Å; S57-L61 WeakPolarHBondContact O-CD1 3.35Å; S57-L61 VanDerWaalsContact O-CG 3.29Å; S57-L61 WeakPolarHBondContact O-CG 3.31Å; S57-L61 PolarHBondContact O-N 3.5Å
58	V	75.6	Confident	72	Confident	86 Å²	86	100.1 Å²	100.1	52%	0.521	51%	0.509	S	S	.	.	H	α-helix	trans	-61.9	-46.3	173.5	173.8	0	0	0	0	111.5	D54 L55 R56 E60 L61 M62	D54-V58 WeakPolarHBondContact O-CG2 3.43Å; D54-V58 PolarHBondContact O-N 3.39Å; L55-V58 PolarHBondContact O-N 3.17Å; R56-V58 VanDerWaalsContact C-N 3.32Å; R56-V58 PolarHBondContact O-N 3.39Å; V58-E60 PolarHBondContact O-N 2.83Å; V58-L61 PolarHBondContact O-N 3.34Å; V58-L61 VanDerWaalsContact O-N 3.16Å; V58-M62 WeakPolarHBondContact O-CG 3.24Å; V58-M62 PolarHBondContact O-N 2.89Å; V58-M62 VanDerWaalsContact O-N 3.17Å
59	I	72.6	Confident	72.8	Confident	63 Å²	63	101 Å²	101	32%	0.323	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-33	-179.1	-73	168	0	0	0	112.8	L55 R56 L61 R67	L55-I59 HydrophobicContact CD2-CD1 3.85Å; L55-I59 HydrophobicContact CG-CD1 3.93Å; L55-I59 WeakPolarHBondContact O-CB 3.28Å; L55-I59 WeakPolarHBondContact O-CD1 3.31Å; L55-I59 VanDerWaalsContact O-CG1 3.24Å; L55-I59 WeakPolarHBondContact O-CG1 3.42Å; L55-I59 PolarHBondContact O-N 3.19Å; R56-I59 PolarHBondContact O-N 3.38Å; R56-I59 VanDerWaalsContact O-N 3.14Å; I59-L61 VanDerWaalsContact C-N 3.32Å; I59-R67 HydrophobicContact CG2-CG 3.96Å; I59-R67 PolarHBondContact O-NE 2.95Å
60	E	75.3	Confident	73.1	Confident	113 Å²	113	99.5 Å²	99.5	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-71.5	-25.7	174	-75	-177.1	-177.6	0	0	112.4	R56 S57 V58	R56-E60 HydrophobicContact CG-CG 4.35Å; R56-E60 IonicContact CZ-OE1 2.76Å; R56-E60 IonicContact CZ-OE2 3.79Å; R56-E60 IonicContact NE-OE1 2.65Å; R56-E60 PolarHBondContact NE-OE1 2.96Å; R56-E60 IonicContact NE-OE2 2.66Å; R56-E60 IonicContact NH2-OE1 2.76Å; R56-E60 PolarHBondContact NH2-OE1 3.02Å; R56-E60 IonicContact NH2-OE2 3.44Å; R56-E60 PolarHBondContact NH2-OE2 2.62Å; R56-E60 WeakPolarHBondContact O-CB 3.29Å; R56-E60 WeakPolarHBondContact O-CG 3.48Å; R56-E60 PolarHBondContact O-N 3.48Å; S57-E60 PolarHBondContact O-N 3.21Å; V58-E60 PolarHBondContact O-N 2.83Å
61	L	72.7	Confident	73.3	Confident	146 Å²	146	102.3 Å²	102.3	76%	0.764	51%	0.51	S	S	*	.	H	α-helix	trans	-85.5	-18.8	176.3	-71.5	168.2	0	0	0	114.4	S57 V58 I59	S57-L61 WeakPolarHBondContact O-CD1 3.35Å; S57-L61 VanDerWaalsContact O-CG 3.29Å; S57-L61 WeakPolarHBondContact O-CG 3.31Å; S57-L61 PolarHBondContact O-N 3.5Å; V58-L61 PolarHBondContact O-N 3.34Å; V58-L61 VanDerWaalsContact O-N 3.16Å; I59-L61 VanDerWaalsContact C-N 3.32Å
62	M	77.3	Confident	73.1	Confident	47 Å²	47	102.7 Å²	102.7	23%	0.232	52%	0.521	C	S	.	.	S	Bend	trans	-72	154.3	174.3	-69.5	178.9	68.4	0	0	111.8	V58 E66 R67 L70	V58-M62 WeakPolarHBondContact O-CG 3.24Å; V58-M62 PolarHBondContact O-N 2.89Å; V58-M62 VanDerWaalsContact O-N 3.17Å; M62-E66 HydrophobicContact CE-CB 3.62Å; M62-E66 HydrophobicContact CE-CG 4.49Å; M62-R67 PolarHBondContact O-NH2 2.93Å; M62-L70 HydrophobicContact CE-CD1 3.54Å; M62-L70 HydrophobicContact CE-CG 4.39Å; M62-L70 HydrophobicContact SD-CD1 3.77Å
63	D	76.6	Confident	73.4	Confident	87 Å²	87	104 Å²	104	47%	0.465	52%	0.523	S	S	.	.			trans	-72.8	168.8	176.2	82.9	40.4	0	0	0	112.7	E65 E66 R67	D63-E65 PolarHBondContact O-N 3.42Å; D63-E65 WeakPolarHBondContact OD1-CA 3.41Å; D63-E65 PolarHBondContact OD1-N 3.49Å; D63-E66 PolarHBondContact OD1-N 2.92Å; D63-R67 WeakPolarHBondContact O-CB 3.21Å; D63-R67 PolarHBondContact O-N 3.16Å
64	T	70.8	Confident	73.3	Confident	96 Å²	96	103.5 Å²	103.5	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-68.6	-30.8	-175.9	40.7	0	0	0	0	114.3	E68	T64-E68 PolarHBondContact O-N 2.9Å
65	E	75.3	Confident	73.5	Confident	161 Å²	161	102.3 Å²	102.3	75%	0.752	52%	0.521	S	S	*	.	H	α-helix	trans	-79.3	-40.4	-176.9	-168.1	168.5	-179.1	0	0	110.4	D63 R67 S69	D63-E65 PolarHBondContact O-N 3.42Å; D63-E65 WeakPolarHBondContact OD1-CA 3.41Å; D63-E65 PolarHBondContact OD1-N 3.49Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-S69 VanDerWaalsContact O-CB 3.26Å; E65-S69 WeakPolarHBondContact O-CB 3.34Å; E65-S69 PolarHBondContact O-N 3.4Å
66	E	74.9	Confident	73.4	Confident	99 Å²	99	103.5 Å²	103.5	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-40.3	168.8	-63.6	-171.7	139.2	0	0	111.9	M62 D63 S69 L70	M62-E66 HydrophobicContact CE-CB 3.62Å; M62-E66 HydrophobicContact CE-CG 4.49Å; D63-E66 PolarHBondContact OD1-N 2.92Å; E66-S69 WeakPolarHBondContact O-CB 3.48Å; E66-S69 PolarHBondContact O-N 3.4Å; E66-L70 PolarHBondContact O-N 2.67Å
67	R	72.3	Confident	73.4	Confident	91 Å²	91	101.3 Å²	101.3	34%	0.343	53%	0.532	S	S	.	.	H	α-helix	trans	-69	-37.2	-179.3	-153.8	-173	-51.3	127.2	4.6	112.6	I59 M62 D63 E65 R71	I59-R67 HydrophobicContact CG2-CG 3.96Å; I59-R67 PolarHBondContact O-NE 2.95Å; M62-R67 PolarHBondContact O-NH2 2.93Å; D63-R67 WeakPolarHBondContact O-CB 3.21Å; D63-R67 PolarHBondContact O-N 3.16Å; E65-R67 VanDerWaalsContact C-N 3.34Å; R67-R71 WeakPolarHBondContact O-CB 3.48Å; R67-R71 PolarHBondContact O-N 3.24Å
68	E	69.6	Low	73.4	Confident	124 Å²	124	101.3 Å²	101.3	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-75.3	-32.2	172.3	-72.3	-170.3	137.6	0	0	112.3	T64 R71 C72	T64-E68 PolarHBondContact O-N 2.9Å; E68-R71 WeakPolarHBondContact O-CB 3.43Å; E68-R71 PolarHBondContact O-N 3.5Å; E68-C72 WeakPolarHBondContact O-CB 3.44Å; E68-C72 PolarHBondContact O-N 2.68Å; E68-C72 PolarHBondContact O-SG 3.39Å
69	S	76.7	Confident	73.1	Confident	67 Å²	67	99.2 Å²	99.2	47%	0.469	52%	0.521	S	S	.	.	H	α-helix	trans	-60.3	-43.5	169.2	-178.5	0	0	0	0	112.4	E65 E66 C72 Q73	E65-S69 VanDerWaalsContact O-CB 3.26Å; E65-S69 WeakPolarHBondContact O-CB 3.34Å; E65-S69 PolarHBondContact O-N 3.4Å; E66-S69 WeakPolarHBondContact O-CB 3.48Å; E66-S69 PolarHBondContact O-N 3.4Å; S69-C72 PolarHBondContact O-N 2.95Å; S69-Q73 WeakPolarHBondContact O-CG 3.47Å; S69-Q73 PolarHBondContact O-N 3.14Å; S69-Q73 PolarHBondContact O-NE2 2.95Å
70	L	72.6	Confident	72.9	Confident	72 Å²	72	101.3 Å²	101.3	38%	0.377	53%	0.533	S	S	.	.	H	α-helix	trans	-64.3	-41.1	172	-78.3	176.6	0	0	0	112.1	M62 E66 C72 Q73	M62-L70 HydrophobicContact CE-CD1 3.54Å; M62-L70 HydrophobicContact CE-CG 4.39Å; M62-L70 HydrophobicContact SD-CD1 3.77Å; E66-L70 PolarHBondContact O-N 2.67Å; L70-C72 VanDerWaalsContact C-N 3.33Å; L70-C72 PolarHBondContact O-N 3.37Å; L70-Q73 WeakPolarHBondContact O-CB 3.33Å; L70-Q73 PolarHBondContact O-N 2.84Å
71	R	69.2	Low	72.6	Confident	185 Å²	185	99.4 Å²	99.4	70%	0.698	53%	0.532	S	S	*	.	H	α-helix	trans	-61.3	-41.5	177.9	-168.3	178.1	-175.5	174.3	2.8	111.9	R67 E68 Q73 I74	R67-R71 WeakPolarHBondContact O-CB 3.48Å; R67-R71 PolarHBondContact O-N 3.24Å; E68-R71 WeakPolarHBondContact O-CB 3.43Å; E68-R71 PolarHBondContact O-N 3.5Å; R71-Q73 PolarHBondContact O-N 2.88Å; R71-I74 PolarHBondContact O-N 3.45Å
72	C	68.6	Low	72.3	Confident	114 Å²	114	97 Å²	97	77%	0.77	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-10.7	175.2	-68.9	0	0	0	0	114.4	E68 S69 L70	E68-C72 WeakPolarHBondContact O-CB 3.44Å; E68-C72 PolarHBondContact O-N 2.68Å; E68-C72 PolarHBondContact O-SG 3.39Å; S69-C72 PolarHBondContact O-N 2.95Å; L70-C72 VanDerWaalsContact C-N 3.33Å; L70-C72 PolarHBondContact O-N 3.37Å
73	Q	74.4	Confident	71.8	Confident	132 Å²	132	98.4 Å²	98.4	62%	0.617	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.8	175.7	-70.7	167.7	71.3	0	0	113.2	S69 L70 R71	S69-Q73 WeakPolarHBondContact O-CG 3.47Å; S69-Q73 PolarHBondContact O-N 3.14Å; S69-Q73 PolarHBondContact O-NE2 2.95Å; L70-Q73 WeakPolarHBondContact O-CB 3.33Å; L70-Q73 PolarHBondContact O-N 2.84Å; R71-Q73 PolarHBondContact O-N 2.88Å
74	I	70.7	Confident	71.4	Confident	95 Å²	95	101.6 Å²	101.6	49%	0.487	54%	0.543	S	S	.	.	S	Bend	trans	-89.3	118.5	173.3	-58.8	175	0	0	0	107.9	R71 D76	R71-I74 PolarHBondContact O-N 3.45Å; I74-D76 PolarHBondContact O-N 3.39Å
75	P	78.3	Confident	71.1	Confident	73 Å²	73	104.6 Å²	104.6	47%	0.474	54%	0.543	S	S	.	.			trans	-63	136.5	177	-21.2	33.1	0	0	0	111.2	S77 T78 A79	P75-S77 PolarHBondContact O-N 3.07Å; P75-S77 VanDerWaalsContact O-N 3.15Å; P75-T78 WeakPolarHBondContact O-CA 3.29Å; P75-T78 VanDerWaalsContact O-CB 3.28Å; P75-T78 WeakPolarHBondContact O-CB 3.48Å; P75-T78 PolarHBondContact O-N 3.38Å; P75-A79 PolarHBondContact O-N 3.22Å
76	D	71.6	Confident	70.5	Confident	131 Å²	131	101.9 Å²	101.9	70%	0.701	53%	0.533	S	S	*	.	H	α-helix	trans	-53.7	-40	-177.1	-58.9	-62.6	0	0	0	112.4	I74 T78 A79 D80	I74-D76 PolarHBondContact O-N 3.39Å; D76-T78 PolarHBondContact O-N 3.46Å; D76-T78 VanDerWaalsContact O-N 3.12Å; D76-A79 WeakPolarHBondContact O-CB 3.45Å; D76-A79 PolarHBondContact O-N 3.14Å; D76-D80 PolarHBondContact O-N 2.72Å
77	S	73.4	Confident	69.6	Low	79 Å²	79	103.1 Å²	103.1	55%	0.552	54%	0.539	S	S	*	.	H	α-helix	trans	-57.5	-27.4	175.1	58	0	0	0	0	114.2	P75 S81	P75-S77 PolarHBondContact O-N 3.07Å; P75-S77 VanDerWaalsContact O-N 3.15Å; S77-S81 VanDerWaalsContact O-CB 3.3Å; S77-S81 WeakPolarHBondContact O-CB 3.48Å; S77-S81 PolarHBondContact O-N 3.08Å; S77-S81 VanDerWaalsContact O-N 3.13Å; S77-S81 PolarHBondContact O-OG 3.05Å
78	T	72.9	Confident	68.6	Low	67 Å²	67	100.1 Å²	100.1	41%	0.411	54%	0.536	S	S	.	.	H	α-helix	trans	-81.9	-37.2	176.3	-52	0	0	0	0	111	P75 D76 L82	P75-T78 WeakPolarHBondContact O-CA 3.29Å; P75-T78 VanDerWaalsContact O-CB 3.28Å; P75-T78 WeakPolarHBondContact O-CB 3.48Å; P75-T78 PolarHBondContact O-N 3.38Å; D76-T78 PolarHBondContact O-N 3.46Å; D76-T78 VanDerWaalsContact O-N 3.12Å; T78-L82 WeakPolarHBondContact O-CG 3.43Å; T78-L82 PolarHBondContact O-N 3.35Å; T78-L82 VanDerWaalsContact O-N 3.07Å
79	A	68.4	Low	67.6	Low	42 Å²	42	98.6 Å²	98.6	35%	0.347	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-48.2	172.8	0	0	0	0	0	111.1	P75 D76 S81 L82 V83	P75-A79 PolarHBondContact O-N 3.22Å; D76-A79 WeakPolarHBondContact O-CB 3.45Å; D76-A79 PolarHBondContact O-N 3.14Å; A79-S81 VanDerWaalsContact C-N 3.35Å; A79-S81 PolarHBondContact O-N 3.32Å; A79-L82 PolarHBondContact O-N 3Å; A79-L82 VanDerWaalsContact O-N 3.15Å; A79-V83 WeakPolarHBondContact O-CG2 3.35Å; A79-V83 PolarHBondContact O-N 2.89Å
80	D	69.2	Low	66.3	Low	106 Å²	106	102.7 Å²	102.7	57%	0.567	55%	0.548	S	S	*	.	H	α-helix	trans	-60.3	-42.6	175.9	-71.8	-25	0	0	0	111.6	D76 L82 V83 E84	D76-D80 PolarHBondContact O-N 2.72Å; D80-L82 VanDerWaalsContact C-N 3.31Å; D80-L82 PolarHBondContact O-N 3.39Å; D80-V83 PolarHBondContact O-N 3.41Å; D80-E84 PolarHBondContact O-N 3.38Å
81	S	68.1	Low	65.2	Low	73 Å²	73	103.7 Å²	103.7	51%	0.51	56%	0.561	S	S	.	*	H	α-helix	trans	-62.2	-35.7	175.5	-63.6	0	0	0	0	113	S77 A79 W85	S77-S81 VanDerWaalsContact O-CB 3.3Å; S77-S81 WeakPolarHBondContact O-CB 3.48Å; S77-S81 PolarHBondContact O-N 3.08Å; S77-S81 VanDerWaalsContact O-N 3.13Å; S77-S81 PolarHBondContact O-OG 3.05Å; A79-S81 VanDerWaalsContact C-N 3.35Å; A79-S81 PolarHBondContact O-N 3.32Å; S81-W85 VanDerWaalsContact O-CB 3.31Å; S81-W85 WeakPolarHBondContact O-CB 3.46Å; S81-W85 PolarHBondContact O-N 3.32Å
82	L	66.8	Low	64	Low	96 Å²	96	102.1 Å²	102.1	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-72.3	-36	175.1	-76.5	166.3	0	0	0	111.8	T78 A79 D80 W85 L86	T78-L82 WeakPolarHBondContact O-CG 3.43Å; T78-L82 PolarHBondContact O-N 3.35Å; T78-L82 VanDerWaalsContact O-N 3.07Å; A79-L82 PolarHBondContact O-N 3Å; A79-L82 VanDerWaalsContact O-N 3.15Å; D80-L82 VanDerWaalsContact C-N 3.31Å; D80-L82 PolarHBondContact O-N 3.39Å; L82-W85 PolarHBondContact O-N 3Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.1Å
83	V	68.3	Low	62.7	Low	76 Å²	76	99.4 Å²	99.4	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-66.7	-44.6	173.4	172.8	0	0	0	0	110.8	A79 D80 L86 H87	A79-V83 WeakPolarHBondContact O-CG2 3.35Å; A79-V83 PolarHBondContact O-N 2.89Å; D80-V83 PolarHBondContact O-N 3.41Å; V83-L86 PolarHBondContact O-N 2.64Å; V83-H87 PolarHBondContact O-N 2.63Å; V83-H87 VanDerWaalsContact O-N 3.08Å; V83-H87 PolarHBondContact O-ND1 2.99Å
84	E	67	Low	61.2	Low	155 Å²	155	101.7 Å²	101.7	72%	0.724	57%	0.568	S	S	*	*	H	α-helix	trans	-60.9	-41.5	171.7	-82.6	-153.9	134.3	0	0	111.9	D80 L86 H87 G88	D80-E84 PolarHBondContact O-N 3.38Å; E84-L86 PolarHBondContact O-N 2.93Å; E84-H87 PolarHBondContact O-N 3.3Å; E84-G88 WeakPolarHBondContact O-CA 3.46Å; E84-G88 PolarHBondContact O-N 3.43Å
85	W	65.1	Low	60	Low	159 Å²	159	104.7 Å²	104.7	60%	0.602	58%	0.583	S	S	*	*	H	α-helix	trans	-64.2	-40.6	178.5	-176.8	77.9	0	0	0	112.6	S81 L82 G88 N89	S81-W85 VanDerWaalsContact O-CB 3.31Å; S81-W85 WeakPolarHBondContact O-CB 3.46Å; S81-W85 PolarHBondContact O-N 3.32Å; L82-W85 PolarHBondContact O-N 3Å; W85-G88 PolarHBondContact O-N 3.38Å; W85-N89 WeakPolarHBondContact CZ2-ND2 3.35Å; W85-N89 PolarHBondContact O-N 2.88Å
86	L	62.4	Low	58	Low	104 Å²	104	105.7 Å²	105.7	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-64.9	-41.6	175.1	-74.5	166.7	0	0	0	112.2	L82 V83 E84	L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.1Å; V83-L86 PolarHBondContact O-N 2.64Å; E84-L86 PolarHBondContact O-N 2.93Å
87	H	56.7	Low	56.7	Low	125 Å²	125	108.4 Å²	108.4	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-74.4	-29.9	175.3	-69.5	85.9	0	0	0	112.9	V83 E84 L90 S91	V83-H87 PolarHBondContact O-N 2.63Å; V83-H87 VanDerWaalsContact O-N 3.08Å; V83-H87 PolarHBondContact O-ND1 2.99Å; E84-H87 PolarHBondContact O-N 3.3Å; H87-L90 PolarHBondContact O-N 3.3Å; H87-S91 PolarHBondContact O-N 3.01Å; H87-S91 PolarHBondContact O-OG 3.37Å
88	G	50.9	Low	55.4	Low	27 Å²	27	106.2 Å²	106.2	28%	0.278	60%	0.596	S	S	.	*	H	α-helix	trans	-68.2	-42.2	176	0	0	0	0	0	112.6	E84 W85 L90 S91 N92	E84-G88 WeakPolarHBondContact O-CA 3.46Å; E84-G88 PolarHBondContact O-N 3.43Å; W85-G88 PolarHBondContact O-N 3.38Å; G88-L90 PolarHBondContact O-N 3.42Å; G88-S91 WeakPolarHBondContact CA-OG 3.46Å; G88-S91 PolarHBondContact O-N 3.22Å; G88-S91 PolarHBondContact O-OG 3.04Å; G88-S91 VanDerWaalsContact O-OG 3.09Å; G88-N92 PolarHBondContact O-N 3.01Å
89	N	48.9	Very low	54.1	Low	93 Å²	93	104.5 Å²	104.5	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-67.3	-23.6	175.7	-75.8	-19.5	0	0	0	113.3	W85 S91	W85-N89 WeakPolarHBondContact CZ2-ND2 3.35Å; W85-N89 PolarHBondContact O-N 2.88Å; N89-S91 VanDerWaalsContact C-N 3.33Å
90	L	49	Very low	53.3	Low	153 Å²	153	105 Å²	105	80%	0.801	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-15.9	171.5	-70	171.6	0	0	0	113.5	H87 G88	H87-L90 PolarHBondContact O-N 3.3Å; G88-L90 PolarHBondContact O-N 3.42Å
91	S	48.8	Very low	52.6	Low	93 Å²	93	106 Å²	106	65%	0.65	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-24.7	-173.5	47.2	0	0	0	0	114.4	H87 G88 N89	H87-S91 PolarHBondContact O-N 3.01Å; H87-S91 PolarHBondContact O-OG 3.37Å; G88-S91 WeakPolarHBondContact CA-OG 3.46Å; G88-S91 PolarHBondContact O-N 3.22Å; G88-S91 PolarHBondContact O-OG 3.04Å; G88-S91 VanDerWaalsContact O-OG 3.09Å; N89-S91 VanDerWaalsContact C-N 3.33Å
92	N	44.2	Very low	52	Low	151 Å²	151	108.5 Å²	108.5	81%	0.807	61%	0.609	S	S	*	*	S	Bend	trans	-94.9	14.3	-177.9	-134.4	11.2	0	0	0	114.4	G88 H94	G88-N92 PolarHBondContact O-N 3.01Å; N92-H94 PolarHBondContact O-N 3.27Å
93	G	41.8	Very low	51.9	Low	57 Å²	57	112.2 Å²	112.2	59%	0.588	62%	0.618	S	S	*	*			trans	-93.9	58.9	179.1	0	0	0	0	0	113.9	I95	G93-I95 PolarHBondContact O-N 3.43Å
94	H	43.8	Very low	52.1	Low	180 Å²	180	114 Å²	114	83%	0.833	62%	0.621	S	S	*	*			trans	-76.4	52	-175.4	-158.2	-62.4	0	0	0	114	N92	N92-H94 PolarHBondContact O-N 3.27Å
95	I	43.6	Very low	52.3	Low	158 Å²	158	110.9 Å²	110.9	81%	0.81	61%	0.606	S	S	*	*			trans	-85.9	129.8	162	-56	178.3	0	0	0	107.1	G93	G93-I95 PolarHBondContact O-N 3.43Å
96	S	37.9	Very low	53	Low	94 Å²	94	111.3 Å²	111.3	66%	0.657	61%	0.608	S	S	*	*			trans	-55.9	150.2	-169.6	-59.5	0	0	0	0	114.7	G98 G99	S96-G98 PolarHBondContact O-N 2.88Å; S96-G99 PolarHBondContact O-N 2.83Å
97	L	43.7	Very low	53.7	Low	188 Å²	188	110.7 Å²	110.7	98%	0.984	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	35.9	-176.8	-135.6	98.8	0	0	0	115.2
98	G	45.1	Very low	54.8	Low	34 Å²	34	107.6 Å²	107.6	35%	0.351	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-134.3	3	176.7	0	0	0	0	0	114.2	S96 H102	S96-G98 PolarHBondContact O-N 2.88Å; G98-H102 PolarHBondContact O-CD2 2.92Å; G98-H102 VanDerWaalsContact O-CD2 3.28Å
99	G	46.9	Very low	56.4	Low	30 Å²	30	113.9 Å²	113.9	31%	0.309	61%	0.613	S	S	.	*	H	α-helix	trans	-77.2	-40.9	176.5	0	0	0	0	0	113.7	S96 H102 Y103	S96-G99 PolarHBondContact O-N 2.83Å; G99-H102 PolarHBondContact O-N 2.82Å; G99-Y103 VanDerWaalsContact O-CD2 3.26Å; G99-Y103 WeakPolarHBondContact O-CD2 3.47Å; G99-Y103 PolarHBondContact O-N 3.31Å
100	G	50.8	Low	58.4	Low	54 Å²	54	114.1 Å²	114.1	56%	0.557	61%	0.613	S	S	*	*	H	α-helix	trans	-61.1	-48.2	-175.7	0	0	0	0	0	112.9	H102 Y103 Q104	G100-H102 VanDerWaalsContact C-N 3.3Å; G100-H102 PolarHBondContact O-N 3.26Å; G100-Y103 PolarHBondContact O-N 3.47Å; G100-Y103 VanDerWaalsContact O-N 3.09Å; G100-Q104 PolarHBondContact O-N 3.4Å
101	D	54.5	Low	60.2	Low	126 Å²	126	111.8 Å²	111.8	67%	0.674	60%	0.598	S	S	*	*	H	α-helix	trans	-57.2	-41.7	177.1	-70.3	-12.1	0	0	0	111.7	Y103 Q104 E105	D101-Y103 PolarHBondContact O-N 2.99Å; D101-Q104 PolarHBondContact O-N 2.93Å; D101-E105 WeakPolarHBondContact O-CB 3.48Å; D101-E105 PolarHBondContact O-N 2.87Å
102	H	56.7	Low	62.2	Low	126 Å²	126	109 Å²	109	58%	0.583	58%	0.584	S	S	*	*	H	α-helix	trans	-68.3	-28.7	177.6	-74.4	-40.7	0	0	0	114.2	G98 G99 G100 E105 R106	G98-H102 PolarHBondContact O-CD2 2.92Å; G98-H102 VanDerWaalsContact O-CD2 3.28Å; G99-H102 PolarHBondContact O-N 2.82Å; G100-H102 VanDerWaalsContact C-N 3.3Å; G100-H102 PolarHBondContact O-N 3.26Å; H102-E105 IonicContact CE1-OE2 2.99Å; H102-E105 IonicContact ND1-OE2 2.74Å; H102-E105 PolarHBondContact ND1-OE2 3.27Å; H102-E105 VanDerWaalsContact ND1-OE2 3.17Å; H102-R106 WeakPolarHBondContact O-CB 3.35Å; H102-R106 PolarHBondContact O-N 3.17Å
103	Y	63.4	Low	64.4	Low	173 Å²	173	106.7 Å²	106.7	68%	0.678	57%	0.572	S	S	*	*	H	α-helix	trans	-75.5	-40.1	171.6	-76.9	-72.7	0	0	0	111.8	G99 G100 D101 R106 L107	G99-Y103 VanDerWaalsContact O-CD2 3.26Å; G99-Y103 WeakPolarHBondContact O-CD2 3.47Å; G99-Y103 PolarHBondContact O-N 3.31Å; G100-Y103 PolarHBondContact O-N 3.47Å; G100-Y103 VanDerWaalsContact O-N 3.09Å; D101-Y103 PolarHBondContact O-N 2.99Å; Y103-R106 PolarHBondContact O-N 2.84Å; Y103-L107 WeakPolarHBondContact O-CG 3.28Å; Y103-L107 PolarHBondContact O-N 3.19Å
104	Q	73.1	Confident	66.9	Low	115 Å²	115	110.9 Å²	110.9	54%	0.537	57%	0.574	S	S	.	*	H	α-helix	trans	-67.9	-43.9	176.5	-169.6	62.4	40.1	0	0	111.8	G100 D101 R106 L107 S108	G100-Q104 PolarHBondContact O-N 3.4Å; D101-Q104 PolarHBondContact O-N 2.93Å; Q104-R106 VanDerWaalsContact C-N 3.33Å; Q104-R106 PolarHBondContact O-N 3.38Å; Q104-L107 PolarHBondContact O-N 2.84Å; Q104-S108 PolarHBondContact O-N 2.95Å; Q104-S108 PolarHBondContact O-OG 2.94Å
105	E	70.8	Confident	69.1	Low	88 Å²	88	108.7 Å²	108.7	41%	0.411	56%	0.564	S	S	.	*	H	α-helix	trans	-58.1	-44.6	172.1	-172.4	-155.4	158.8	0	0	110.5	D101 H102 S108 R109	D101-E105 WeakPolarHBondContact O-CB 3.48Å; D101-E105 PolarHBondContact O-N 2.87Å; H102-E105 IonicContact CE1-OE2 2.99Å; H102-E105 IonicContact ND1-OE2 2.74Å; H102-E105 PolarHBondContact ND1-OE2 3.27Å; H102-E105 VanDerWaalsContact ND1-OE2 3.17Å; E105-S108 PolarHBondContact O-N 3.49Å; E105-R109 VanDerWaalsContact O-CB 3.3Å; E105-R109 WeakPolarHBondContact O-CB 3.39Å; E105-R109 WeakPolarHBondContact O-CG 3.44Å; E105-R109 PolarHBondContact O-N 2.9Å; E105-R109 IonicContact OE1-NH1 3.77Å; E105-R109 PolarHBondContact OE1-NH1 2.91Å
106	R	79.7	Confident	71.5	Confident	168 Å²	168	104.8 Å²	104.8	63%	0.634	55%	0.551	S	S	*	*	H	α-helix	trans	-66.6	-37.2	177.3	-174.3	174.3	-175.8	177.4	1.3	112.5	H102 Y103 Q104 L110	H102-R106 WeakPolarHBondContact O-CB 3.35Å; H102-R106 PolarHBondContact O-N 3.17Å; Y103-R106 PolarHBondContact O-N 2.84Å; Q104-R106 VanDerWaalsContact C-N 3.33Å; Q104-R106 PolarHBondContact O-N 3.38Å; R106-L110 HydrophobicContact CG-CD1 4.22Å; R106-L110 WeakPolarHBondContact O-CB 3.37Å; R106-L110 VanDerWaalsContact O-CG 3.26Å; R106-L110 WeakPolarHBondContact O-CG 3.42Å; R106-L110 PolarHBondContact O-N 2.91Å
107	L	78	Confident	74.2	Confident	92 Å²	92	105.2 Å²	105.2	48%	0.482	55%	0.545	S	S	.	.	H	α-helix	trans	-64.3	-53.1	173.1	-77.7	167.7	0	0	0	110.8	Y103 Q104 R109 L110 E111	Y103-L107 WeakPolarHBondContact O-CG 3.28Å; Y103-L107 PolarHBondContact O-N 3.19Å; Q104-L107 PolarHBondContact O-N 2.84Å; L107-R109 PolarHBondContact O-N 2.84Å; L107-L110 CarbonylContact O-C 3.52Å; L107-L110 WeakPolarHBondContact O-CA 3.38Å; L107-L110 WeakPolarHBondContact O-CB 3.37Å; L107-L110 PolarHBondContact O-N 3.19Å; L107-E111 WeakPolarHBondContact O-CG 3.48Å; L107-E111 PolarHBondContact O-N 3.47Å
108	S	80.1	Confident	76.5	Confident	60 Å²	60	100.6 Å²	100.6	42%	0.42	53%	0.525	S	S	.	.	H	α-helix	trans	-66.6	-24.4	-179.5	-61.6	0	0	0	0	113.8	Q104 E105 E111 G112	Q104-S108 PolarHBondContact O-N 2.95Å; Q104-S108 PolarHBondContact O-OG 2.94Å; E105-S108 PolarHBondContact O-N 3.49Å; S108-E111 WeakPolarHBondContact CA-OE2 3.48Å; S108-E111 PolarHBondContact OG-OE2 3.12Å; S108-G112 PolarHBondContact O-N 3.23Å
109	R	84.8	Confident	78.9	Confident	159 Å²	159	104.7 Å²	104.7	60%	0.6	54%	0.538	S	S	*	.	H	α-helix	trans	-71.3	-43.8	167.4	-72.5	170.9	71.1	163.4	3.2	112	E105 L107 E111 G112 D113	E105-R109 VanDerWaalsContact O-CB 3.3Å; E105-R109 WeakPolarHBondContact O-CB 3.39Å; E105-R109 WeakPolarHBondContact O-CG 3.44Å; E105-R109 PolarHBondContact O-N 2.9Å; E105-R109 IonicContact OE1-NH1 3.77Å; E105-R109 PolarHBondContact OE1-NH1 2.91Å; L107-R109 PolarHBondContact O-N 2.84Å; R109-E111 VanDerWaalsContact C-N 3.29Å; R109-E111 PolarHBondContact O-N 3.35Å; R109-G112 PolarHBondContact O-N 2.82Å; R109-D113 WeakPolarHBondContact O-CB 3.34Å; R109-D113 PolarHBondContact O-N 2.79Å
110	L	89.8	Confident	81	Confident	97 Å²	97	108.9 Å²	108.9	51%	0.508	55%	0.55	S	S	.	.	H	α-helix	trans	-65.6	-30.1	173.7	-72.8	168.4	0	0	0	112.9	R106 L107 K114	R106-L110 HydrophobicContact CG-CD1 4.22Å; R106-L110 WeakPolarHBondContact O-CB 3.37Å; R106-L110 VanDerWaalsContact O-CG 3.26Å; R106-L110 WeakPolarHBondContact O-CG 3.42Å; R106-L110 PolarHBondContact O-N 2.91Å; L107-L110 CarbonylContact O-C 3.52Å; L107-L110 WeakPolarHBondContact O-CA 3.38Å; L107-L110 WeakPolarHBondContact O-CB 3.37Å; L107-L110 PolarHBondContact O-N 3.19Å; L110-K114 WeakPolarHBondContact O-CB 3.28Å; L110-K114 PolarHBondContact O-N 3.26Å
111	E	87.1	Confident	83	Confident	104 Å²	104	110.1 Å²	110.1	49%	0.486	55%	0.546	S	S	.	.	H	α-helix	trans	-68.9	-44.7	171.7	-69.7	171	141.4	0	0	110.9	L107 S108 R109 K114 E115	L107-E111 WeakPolarHBondContact O-CG 3.48Å; L107-E111 PolarHBondContact O-N 3.47Å; S108-E111 WeakPolarHBondContact CA-OE2 3.48Å; S108-E111 PolarHBondContact OG-OE2 3.12Å; R109-E111 VanDerWaalsContact C-N 3.29Å; R109-E111 PolarHBondContact O-N 3.35Å; E111-K114 WeakPolarHBondContact O-CB 3.1Å; E111-K114 PolarHBondContact O-N 2.84Å; E111-E115 WeakPolarHBondContact O-CG 3.41Å; E111-E115 PolarHBondContact O-N 3.14Å
112	G	90.2	Very high	84.8	Confident	35 Å²	35	107 Å²	107	36%	0.361	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-40.7	172.2	0	0	0	0	0	113.7	S108 R109 K114 E115 S116	S108-G112 PolarHBondContact O-N 3.23Å; R109-G112 PolarHBondContact O-N 2.82Å; G112-K114 VanDerWaalsContact C-N 3.33Å; G112-E115 PolarHBondContact O-N 2.76Å; G112-S116 WeakPolarHBondContact O-CB 3.43Å; G112-S116 PolarHBondContact O-N 3.16Å
113	D	90.8	Very high	86.7	Confident	103 Å²	103	104.5 Å²	104.5	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-39.9	174.4	-68.2	-26.9	0	0	0	110.7	R109 S116 L117	R109-D113 WeakPolarHBondContact O-CB 3.34Å; R109-D113 PolarHBondContact O-N 2.79Å; D113-S116 PolarHBondContact O-N 3.15Å; D113-L117 WeakPolarHBondContact O-CB 3.48Å; D113-L117 PolarHBondContact O-N 3.48Å
114	K	93.8	Very high	88.1	Confident	144 Å²	144	100.6 Å²	100.6	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-46	173.6	172.9	-168.7	171.1	-167.1	0	111.9	L110 E111 G112 S116 L117 V118	L110-K114 WeakPolarHBondContact O-CB 3.28Å; L110-K114 PolarHBondContact O-N 3.26Å; E111-K114 WeakPolarHBondContact O-CB 3.1Å; E111-K114 PolarHBondContact O-N 2.84Å; G112-K114 VanDerWaalsContact C-N 3.33Å; K114-S116 VanDerWaalsContact C-N 3.34Å; K114-L117 PolarHBondContact O-N 2.99Å; K114-V118 WeakPolarHBondContact O-CG2 3.33Å; K114-V118 PolarHBondContact O-N 2.69Å
115	E	91.7	Very high	89.1	Confident	135 Å²	135	99 Å²	99	63%	0.631	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-41.1	176.6	-74.1	-177.9	174.9	0	0	111.4	E111 G112 L117 V118 L119	E111-E115 WeakPolarHBondContact O-CG 3.41Å; E111-E115 PolarHBondContact O-N 3.14Å; G112-E115 PolarHBondContact O-N 2.76Å; E115-L117 PolarHBondContact O-N 2.87Å; E115-V118 PolarHBondContact O-N 3.25Å; E115-L119 WeakPolarHBondContact O-CG 3.43Å; E115-L119 PolarHBondContact O-N 3.31Å
116	S	92.1	Very high	90.3	Very high	76 Å²	76	99.3 Å²	99.3	53%	0.531	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-41.5	173.9	-168.5	0	0	0	0	112.2	G112 D113 K114 L119 Q120	G112-S116 WeakPolarHBondContact O-CB 3.43Å; G112-S116 PolarHBondContact O-N 3.16Å; D113-S116 PolarHBondContact O-N 3.15Å; K114-S116 VanDerWaalsContact C-N 3.34Å; S116-L119 PolarHBondContact O-N 3.41Å; S116-Q120 WeakPolarHBondContact O-CB 3.33Å; S116-Q120 PolarHBondContact O-N 2.89Å
117	L	94.4	Very high	90.8	Very high	102 Å²	102	96.1 Å²	96.1	53%	0.534	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-39.6	175.9	-174.8	64.5	0	0	0	112.2	D113 K114 E115 L119 Q120 V121	D113-L117 WeakPolarHBondContact O-CB 3.48Å; D113-L117 PolarHBondContact O-N 3.48Å; K114-L117 PolarHBondContact O-N 2.99Å; E115-L117 PolarHBondContact O-N 2.87Å; L117-L119 VanDerWaalsContact C-N 3.35Å; L117-Q120 PolarHBondContact O-N 2.95Å; L117-V121 WeakPolarHBondContact O-CG2 3.49Å; L117-V121 PolarHBondContact O-N 3.07Å
118	V	93.4	Very high	91.5	Very high	92 Å²	92	96.6 Å²	96.6	56%	0.558	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-41.7	174.4	167.1	0	0	0	0	111	K114 E115 V121 S122	K114-V118 WeakPolarHBondContact O-CG2 3.33Å; K114-V118 PolarHBondContact O-N 2.69Å; E115-V118 PolarHBondContact O-N 3.25Å; V118-V121 PolarHBondContact O-N 3.19Å; V118-S122 WeakPolarHBondContact O-CB 3.45Å; V118-S122 PolarHBondContact O-N 3.05Å
119	L	94.4	Very high	92.1	Very high	119 Å²	119	99.7 Å²	99.7	62%	0.623	53%	0.527	S	S	*	.	H	α-helix	trans	-63.8	-40.5	172.9	-71.4	169.8	0	0	0	111.9	E115 S116 L117 S122 V123	E115-L119 WeakPolarHBondContact O-CG 3.43Å; E115-L119 PolarHBondContact O-N 3.31Å; S116-L119 PolarHBondContact O-N 3.41Å; L117-L119 VanDerWaalsContact C-N 3.35Å; L119-S122 PolarHBondContact O-N 3.24Å; L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 2.69Å
120	Q	92.1	Very high	92.6	Very high	119 Å²	119	94.7 Å²	94.7	56%	0.556	52%	0.52	S	S	*	.	H	α-helix	trans	-64	-43	176	-170.3	176.8	18.7	0	0	111.9	S116 L117 V123 L124	S116-Q120 WeakPolarHBondContact O-CB 3.33Å; S116-Q120 PolarHBondContact O-N 2.89Å; L117-Q120 PolarHBondContact O-N 2.95Å; Q120-V123 PolarHBondContact O-N 2.71Å; Q120-L124 HydrophobicContact CG-CD1 4.26Å; Q120-L124 WeakPolarHBondContact O-CB 3.46Å; Q120-L124 VanDerWaalsContact O-CG 3.3Å; Q120-L124 WeakPolarHBondContact O-CG 3.29Å; Q120-L124 PolarHBondContact O-N 2.94Å
121	V	93.1	Very high	92.7	Very high	80 Å²	80	95.9 Å²	95.9	49%	0.485	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-44.5	174.4	170.4	0	0	0	0	110.7	L117 V118 V123 L124 T125	L117-V121 WeakPolarHBondContact O-CG2 3.49Å; L117-V121 PolarHBondContact O-N 3.07Å; V118-V121 PolarHBondContact O-N 3.19Å; V121-V123 PolarHBondContact O-N 3.42Å; V121-L124 PolarHBondContact O-N 3.25Å; V121-T125 PolarHBondContact O-N 2.93Å; V121-T125 PolarHBondContact O-OG1 3.44Å; V121-T125 VanDerWaalsContact O-OG1 3.06Å
122	S	92.6	Very high	93	Very high	59 Å²	59	91.9 Å²	91.9	41%	0.413	51%	0.509	S	S	.	.	H	α-helix	trans	-58.9	-46.5	175.9	-166.9	0	0	0	0	112	V118 L119 L124 T125 D126	V118-S122 WeakPolarHBondContact O-CB 3.45Å; V118-S122 PolarHBondContact O-N 3.05Å; L119-S122 PolarHBondContact O-N 3.24Å; S122-L124 VanDerWaalsContact C-N 3.31Å; S122-L124 PolarHBondContact O-N 2.83Å; S122-T125 PolarHBondContact O-N 3.31Å; S122-D126 PolarHBondContact O-N 3Å
123	V	95.2	Very high	93.2	Very high	75 Å²	75	95.3 Å²	95.3	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-34.5	178.6	169.2	0	0	0	0	111.9	L119 Q120 V121 Q127	L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 2.69Å; Q120-V123 PolarHBondContact O-N 2.71Å; V121-V123 PolarHBondContact O-N 3.42Å; V123-Q127 WeakPolarHBondContact O-CB 3.42Å; V123-Q127 WeakPolarHBondContact O-CG 3.47Å; V123-Q127 PolarHBondContact O-N 3.49Å; V123-Q127 VanDerWaalsContact O-N 3.1Å
124	L	93.7	Very high	93.4	Very high	90 Å²	90	95.7 Å²	95.7	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-70.2	-38.6	173.3	-72.4	168.7	0	0	0	111.9	Q120 V121 S122 Q127 V128	Q120-L124 HydrophobicContact CG-CD1 4.26Å; Q120-L124 WeakPolarHBondContact O-CB 3.46Å; Q120-L124 VanDerWaalsContact O-CG 3.3Å; Q120-L124 WeakPolarHBondContact O-CG 3.29Å; Q120-L124 PolarHBondContact O-N 2.94Å; V121-L124 PolarHBondContact O-N 3.25Å; S122-L124 VanDerWaalsContact C-N 3.31Å; S122-L124 PolarHBondContact O-N 2.83Å; L124-Q127 PolarHBondContact O-N 2.97Å; L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 2.99Å
125	T	93.4	Very high	93.3	Very high	81 Å²	81	93.5 Å²	93.5	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-48.7	174.4	-59.7	0	0	0	0	111.3	V121 S122 Q127 V128 E129	V121-T125 PolarHBondContact O-N 2.93Å; V121-T125 PolarHBondContact O-OG1 3.44Å; V121-T125 VanDerWaalsContact O-OG1 3.06Å; S122-T125 PolarHBondContact O-N 3.31Å; T125-Q127 PolarHBondContact O-N 3.03Å; T125-V128 PolarHBondContact O-N 3.5Å; T125-V128 VanDerWaalsContact O-N 3.14Å; T125-E129 PolarHBondContact O-N 3.46Å
126	D	95.3	Very high	93.5	Very high	96 Å²	96	93.4 Å²	93.4	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-57.1	-38.7	175	-69.8	5.9	0	0	0	111.6	S122 A130	S122-D126 PolarHBondContact O-N 3Å; D126-A130 VanDerWaalsContact O-CB 3.29Å; D126-A130 WeakPolarHBondContact O-CB 3.32Å; D126-A130 PolarHBondContact O-N 2.65Å
127	Q	91.4	Very high	93.6	Very high	100 Å²	100	93.9 Å²	93.9	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-69.1	-39.5	176.9	-76.9	173.2	21.3	0	0	112.7	V123 L124 T125 Q131	V123-Q127 WeakPolarHBondContact O-CB 3.42Å; V123-Q127 WeakPolarHBondContact O-CG 3.47Å; V123-Q127 PolarHBondContact O-N 3.49Å; V123-Q127 VanDerWaalsContact O-N 3.1Å; L124-Q127 PolarHBondContact O-N 2.97Å; T125-Q127 PolarHBondContact O-N 3.03Å; Q127-Q131 WeakPolarHBondContact O-CB 3.31Å; Q127-Q131 VanDerWaalsContact O-CG 3.29Å; Q127-Q131 WeakPolarHBondContact O-CG 3.49Å; Q127-Q131 PolarHBondContact O-N 2.97Å
128	V	93	Very high	93.5	Very high	103 Å²	103	89.7 Å²	89.7	62%	0.624	48%	0.475	S	S	*	.	H	α-helix	trans	-67.3	-41.9	175.5	169.3	0	0	0	0	110.9	L124 T125 Q131 G132	L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 2.99Å; T125-V128 PolarHBondContact O-N 3.5Å; T125-V128 VanDerWaalsContact O-N 3.14Å; V128-Q131 PolarHBondContact O-N 2.95Å; V128-G132 PolarHBondContact O-N 3.35Å
129	E	92.8	Very high	93.4	Very high	125 Å²	125	89.4 Å²	89.4	58%	0.584	47%	0.471	S	S	*	.	H	α-helix	trans	-63.4	-45.4	176	-173.5	170.8	-158.5	0	0	111.5	T125 Q131 G132 E133	T125-E129 PolarHBondContact O-N 3.46Å; E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.25Å; E129-G132 CarbonylContact O-C 3.29Å; E129-G132 WeakPolarHBondContact O-CA 3.34Å; E129-G132 PolarHBondContact O-N 2.89Å; E129-G132 VanDerWaalsContact O-N 3.08Å; E129-E133 PolarHBondContact O-N 3.44Å
130	A	94.1	Very high	93.4	Very high	54 Å²	54	88.6 Å²	88.6	45%	0.446	47%	0.466	S	S	.	.	H	α-helix	trans	-65.5	-32.8	176.7	0	0	0	0	0	113.3	D126 K134	D126-A130 VanDerWaalsContact O-CB 3.29Å; D126-A130 WeakPolarHBondContact O-CB 3.32Å; D126-A130 PolarHBondContact O-N 2.65Å; A130-K134 WeakPolarHBondContact O-CB 3.35Å; A130-K134 PolarHBondContact O-N 2.94Å; A130-K134 VanDerWaalsContact O-N 3.07Å
131	Q	91.8	Very high	93.5	Very high	122 Å²	122	84.6 Å²	84.6	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-68.9	-38.5	169.8	-74.9	179.7	18.5	0	0	111.4	Q127 V128 E129 K134 I135	Q127-Q131 WeakPolarHBondContact O-CB 3.31Å; Q127-Q131 VanDerWaalsContact O-CG 3.29Å; Q127-Q131 WeakPolarHBondContact O-CG 3.49Å; Q127-Q131 PolarHBondContact O-N 2.97Å; V128-Q131 PolarHBondContact O-N 2.95Å; E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.25Å; Q131-K134 PolarHBondContact O-N 2.97Å; Q131-I135 WeakPolarHBondContact O-CG1 3.41Å; Q131-I135 PolarHBondContact O-N 2.99Å
132	G	93.3	Very high	93.5	Very high	19 Å²	19	85.9 Å²	85.9	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-63.5	-39.2	173.8	0	0	0	0	0	113.7	V128 E129 R136	V128-G132 PolarHBondContact O-N 3.35Å; E129-G132 CarbonylContact O-C 3.29Å; E129-G132 WeakPolarHBondContact O-CA 3.34Å; E129-G132 PolarHBondContact O-N 2.89Å; E129-G132 VanDerWaalsContact O-N 3.08Å; G132-R136 WeakPolarHBondContact O-CG 3.13Å; G132-R136 PolarHBondContact O-N 3.48Å; G132-R136 PolarHBondContact O-NH1 3.36Å
133	E	94.4	Very high	93.6	Very high	108 Å²	108	87.6 Å²	87.6	51%	0.505	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-50.8	168.7	-78.1	-168.3	146.3	0	0	111.1	E129 I135 R136 D137	E129-E133 PolarHBondContact O-N 3.44Å; E133-I135 VanDerWaalsContact C-N 3.3Å; E133-I135 PolarHBondContact O-N 2.82Å; E133-R136 VanDerWaalsContact CG-NH2 3.27Å; E133-R136 PolarHBondContact O-N 3.12Å; E133-R136 VanDerWaalsContact O-N 3.1Å; E133-D137 PolarHBondContact O-N 3.3Å
134	K	94.9	Very high	93.6	Very high	110 Å²	110	88.8 Å²	88.8	48%	0.478	46%	0.459	S	S	.	.	H	α-helix	trans	-57.6	-40.7	-179.1	-169.7	-172.5	176	-168.8	0	112.3	A130 Q131 D137 L138	A130-K134 WeakPolarHBondContact O-CB 3.35Å; A130-K134 PolarHBondContact O-N 2.94Å; A130-K134 VanDerWaalsContact O-N 3.07Å; Q131-K134 PolarHBondContact O-N 2.97Å; K134-D137 PolarHBondContact O-N 2.86Å; K134-L138 HydrophobicContact CG-CD1 3.92Å; K134-L138 WeakPolarHBondContact O-CD1 3.39Å; K134-L138 WeakPolarHBondContact O-CG 3.4Å; K134-L138 PolarHBondContact O-N 3.08Å
135	I	92.8	Very high	93.5	Very high	98 Å²	98	89.7 Å²	89.7	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-61.3	-47.4	176.4	-69.9	163.2	0	0	0	110.6	Q131 E133 D137 L138 D139	Q131-I135 WeakPolarHBondContact O-CG1 3.41Å; Q131-I135 PolarHBondContact O-N 2.99Å; E133-I135 VanDerWaalsContact C-N 3.3Å; E133-I135 PolarHBondContact O-N 2.82Å; I135-D137 PolarHBondContact O-N 2.68Å; I135-L138 WeakPolarHBondContact O-CA 3.24Å; I135-L138 WeakPolarHBondContact O-CB 3.28Å; I135-L138 PolarHBondContact O-N 2.96Å; I135-D139 PolarHBondContact O-N 2.81Å
136	R	94.8	Very high	93.5	Very high	134 Å²	134	93.5 Å²	93.5	51%	0.506	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-41.9	178.7	-67.8	-175.9	-63.9	-96.6	11.3	113	G132 E133 L138 D139 I140	G132-R136 WeakPolarHBondContact O-CG 3.13Å; G132-R136 PolarHBondContact O-N 3.48Å; G132-R136 PolarHBondContact O-NH1 3.36Å; E133-R136 VanDerWaalsContact CG-NH2 3.27Å; E133-R136 PolarHBondContact O-N 3.12Å; E133-R136 VanDerWaalsContact O-N 3.1Å; R136-L138 PolarHBondContact O-N 3.5Å; R136-D139 PolarHBondContact O-N 2.74Å; R136-I140 WeakPolarHBondContact O-CD1 3.39Å; R136-I140 VanDerWaalsContact O-CG1 3.3Å; R136-I140 WeakPolarHBondContact O-CG1 3.41Å; R136-I140 PolarHBondContact O-N 3.24Å; R136-I140 VanDerWaalsContact O-N 3.12Å
137	D	95	Very high	93.5	Very high	86 Å²	86	95.7 Å²	95.7	46%	0.46	47%	0.473	S	S	.	.	H	α-helix	trans	-58.9	-33.7	174.2	-79.3	-4.7	0	0	0	112	E133 K134 I135 C141	E133-D137 PolarHBondContact O-N 3.3Å; K134-D137 PolarHBondContact O-N 2.86Å; I135-D137 PolarHBondContact O-N 2.68Å; D137-C141 VanDerWaalsContact O-CB 3.32Å; D137-C141 WeakPolarHBondContact O-CB 3.35Å; D137-C141 PolarHBondContact O-N 2.87Å; D137-C141 VanDerWaalsContact O-N 3.13Å
138	L	92.5	Very high	93.7	Very high	13 Å²	13	95.7 Å²	95.7	7%	0.068	47%	0.472	C	S	.	.	H	α-helix	trans	-81.9	-36.7	-177.6	-70	162.9	0	0	0	112.5	K134 I135 R136 C141 L142 P471 L473	K134-L138 HydrophobicContact CG-CD1 3.92Å; K134-L138 WeakPolarHBondContact O-CD1 3.39Å; K134-L138 WeakPolarHBondContact O-CG 3.4Å; K134-L138 PolarHBondContact O-N 3.08Å; I135-L138 WeakPolarHBondContact O-CA 3.24Å; I135-L138 WeakPolarHBondContact O-CB 3.28Å; I135-L138 PolarHBondContact O-N 2.96Å; R136-L138 PolarHBondContact O-N 3.5Å; L138-C141 WeakPolarHBondContact O-CB 3.29Å; L138-C141 PolarHBondContact O-N 3.42Å; L138-L142 WeakPolarHBondContact O-CG 3.24Å; L138-L142 PolarHBondContact O-N 2.89Å; L138-P471 HydrophobicContact CD2-CB 3.97Å; L138-P471 HydrophobicContact CD2-CG 3.71Å; L138-P471 HydrophobicContact CG-CG 4.46Å; L138-L473 HydrophobicContact CB-CD1 4.14Å; L138-L473 HydrophobicContact CD1-CD1 3.75Å; L138-L473 HydrophobicContact CD1-CD2 3.77Å; L138-L473 HydrophobicContact CD1-CG 3.51Å; L138-L473 HydrophobicContact CD2-CD1 3.96Å; L138-L473 HydrophobicContact CD2-CG 3.73Å; L138-L473 HydrophobicContact CG-CD1 4.16Å; L138-L473 HydrophobicContact CG-CG 4.15Å
139	D	90.8	Very high	93.5	Very high	87 Å²	87	96 Å²	96	47%	0.465	47%	0.47	S	S	.	.	H	α-helix	trans	-61.1	-47	171.4	-66	-35.9	0	0	0	110.7	I135 R136 C141 L142 D143	I135-D139 PolarHBondContact O-N 2.81Å; R136-D139 PolarHBondContact O-N 2.74Å; D139-C141 VanDerWaalsContact C-N 3.3Å; D139-C141 PolarHBondContact O-N 2.81Å; D139-L142 PolarHBondContact O-N 2.78Å; D139-L142 VanDerWaalsContact O-N 3.16Å; D139-D143 PolarHBondContact O-N 3.48Å
140	I	94.8	Very high	93.6	Very high	102 Å²	102	93.8 Å²	93.8	52%	0.523	46%	0.462	S	S	.	.	H	α-helix	trans	-58.6	-43.2	174.5	-66.5	165.3	0	0	0	110.8	R136 L142 D143 E144	R136-I140 WeakPolarHBondContact O-CD1 3.39Å; R136-I140 VanDerWaalsContact O-CG1 3.3Å; R136-I140 WeakPolarHBondContact O-CG1 3.41Å; R136-I140 PolarHBondContact O-N 3.24Å; R136-I140 VanDerWaalsContact O-N 3.12Å; I140-L142 VanDerWaalsContact C-N 3.35Å; I140-L142 PolarHBondContact O-N 3.35Å; I140-D143 PolarHBondContact O-N 3.26Å; I140-E144 WeakPolarHBondContact O-CB 3.5Å; I140-E144 PolarHBondContact O-N 3.5Å
141	C	94.2	Very high	93.7	Very high	34 Å²	34	93.5 Å²	93.5	23%	0.23	46%	0.459	C	S	.	.	H	α-helix	trans	-64.2	-37.9	177.9	-169.5	0	0	0	0	112.4	D137 L138 D139 H145	D137-C141 VanDerWaalsContact O-CB 3.32Å; D137-C141 WeakPolarHBondContact O-CB 3.35Å; D137-C141 PolarHBondContact O-N 2.87Å; D137-C141 VanDerWaalsContact O-N 3.13Å; L138-C141 WeakPolarHBondContact O-CB 3.29Å; L138-C141 PolarHBondContact O-N 3.42Å; D139-C141 VanDerWaalsContact C-N 3.3Å; D139-C141 PolarHBondContact O-N 2.81Å; C141-H145 WeakPolarHBondContact O-CB 3.31Å; C141-H145 PolarHBondContact O-CD2 2.85Å; C141-H145 PolarHBondContact O-N 2.98Å
142	L	93.3	Very high	93.7	Very high	107 Å²	107	91.2 Å²	91.2	56%	0.56	45%	0.454	S	S	*	.	H	α-helix	trans	-67.1	-44.4	177	-75.6	169.2	0	0	0	112.2	L138 D139 I140 H145 R146	L138-L142 WeakPolarHBondContact O-CG 3.24Å; L138-L142 PolarHBondContact O-N 2.89Å; D139-L142 PolarHBondContact O-N 2.78Å; D139-L142 VanDerWaalsContact O-N 3.16Å; I140-L142 VanDerWaalsContact C-N 3.35Å; I140-L142 PolarHBondContact O-N 3.35Å; L142-H145 PolarHBondContact O-N 3.14Å; L142-R146 WeakPolarHBondContact O-CB 3.25Å; L142-R146 PolarHBondContact O-N 2.7Å
143	D	94.4	Very high	93.7	Very high	95 Å²	95	95.3 Å²	95.3	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-40.2	175.7	-85	-27.8	0	0	0	111.7	D139 I140 H145 R146 E147	D139-D143 PolarHBondContact O-N 3.48Å; I140-D143 PolarHBondContact O-N 3.26Å; D143-H145 VanDerWaalsContact C-N 3.27Å; D143-H145 PolarHBondContact O-N 3.36Å; D143-R146 WeakPolarHBondContact O-CB 3.41Å; D143-R146 PolarHBondContact O-N 2.81Å; D143-R146 IonicContact OD1-NH1 3.67Å; D143-E147 PolarHBondContact O-N 3.41Å
144	E	94.5	Very high	93.8	Very high	100 Å²	100	96.6 Å²	96.6	47%	0.467	47%	0.474	S	S	.	.	H	α-helix	trans	-55.5	-40.9	169.5	-98.9	-160.9	-135.1	0	0	112.4	I140 K148	I140-E144 WeakPolarHBondContact O-CB 3.5Å; I140-E144 PolarHBondContact O-N 3.5Å; E144-K148 WeakPolarHBondContact O-CD 3.34Å; E144-K148 VanDerWaalsContact O-CE 3.25Å; E144-K148 WeakPolarHBondContact O-CE 3.42Å; E144-K148 WeakPolarHBondContact O-CG 3.47Å; E144-K148 PolarHBondContact O-N 3.01Å; E144-K148 IonicContact OE2-NZ 2.68Å; E144-K148 PolarHBondContact OE2-NZ 2.75Å
145	H	92	Very high	93.7	Very high	110 Å²	110	97.3 Å²	97.3	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-71.1	-31.7	176.7	-90.9	-70.5	0	0	0	112.7	C141 L142 D143 L149	C141-H145 WeakPolarHBondContact O-CB 3.31Å; C141-H145 PolarHBondContact O-CD2 2.85Å; C141-H145 PolarHBondContact O-N 2.98Å; L142-H145 PolarHBondContact O-N 3.14Å; D143-H145 VanDerWaalsContact C-N 3.27Å; D143-H145 PolarHBondContact O-N 3.36Å; H145-L149 WeakPolarHBondContact O-CB 3.49Å; H145-L149 PolarHBondContact O-N 3.06Å
146	R	93.7	Very high	93.7	Very high	160 Å²	160	97.2 Å²	97.2	60%	0.604	48%	0.48	S	S	*	.	H	α-helix	trans	-70	-43.6	175.9	-171.1	-178.2	-174.1	176.6	2	112.2	L142 D143 K148 L149 N150	L142-R146 WeakPolarHBondContact O-CB 3.25Å; L142-R146 PolarHBondContact O-N 2.7Å; D143-R146 WeakPolarHBondContact O-CB 3.41Å; D143-R146 PolarHBondContact O-N 2.81Å; D143-R146 IonicContact OD1-NH1 3.67Å; R146-K148 VanDerWaalsContact C-N 3.34Å; R146-K148 PolarHBondContact O-N 3.26Å; R146-L149 WeakPolarHBondContact O-CB 3.37Å; R146-L149 PolarHBondContact O-N 2.7Å; R146-N150 VanDerWaalsContact O-CG 3.25Å; R146-N150 PolarHBondContact O-N 2.8Å; R146-N150 PolarHBondContact O-OD1 3.07Å
147	E	95.8	Very high	93.7	Very high	143 Å²	143	95.7 Å²	95.7	67%	0.668	48%	0.479	S	S	*	.	H	α-helix	trans	-61	-43.7	173.2	-70.5	-167.2	152.3	0	0	111.5	D143 L149 N150 A151	D143-E147 PolarHBondContact O-N 3.41Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.22Å; E147-N150 PolarHBondContact O-N 2.95Å; E147-A151 WeakPolarHBondContact O-CB 3.4Å; E147-A151 PolarHBondContact O-N 3.05Å
148	K	94.1	Very high	93.7	Very high	99 Å²	99	96.9 Å²	96.9	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-61.7	-39.4	175.9	-68.9	160.3	-158.8	163	0	111.9	E144 R146 T152	E144-K148 WeakPolarHBondContact O-CD 3.34Å; E144-K148 VanDerWaalsContact O-CE 3.25Å; E144-K148 WeakPolarHBondContact O-CE 3.42Å; E144-K148 WeakPolarHBondContact O-CG 3.47Å; E144-K148 PolarHBondContact O-N 3.01Å; E144-K148 IonicContact OE2-NZ 2.68Å; E144-K148 PolarHBondContact OE2-NZ 2.75Å; R146-K148 VanDerWaalsContact C-N 3.34Å; R146-K148 PolarHBondContact O-N 3.26Å; K148-T152 WeakPolarHBondContact O-CG2 3.49Å; K148-T152 PolarHBondContact O-N 3.2Å; K148-T152 VanDerWaalsContact O-N 3.09Å; K148-T152 PolarHBondContact O-OG1 2.72Å
149	L	90.7	Very high	93.8	Very high	111 Å²	111	102.7 Å²	102.7	58%	0.581	51%	0.508	S	S	*	.	H	α-helix	trans	-62.4	-51.9	175.2	-175.9	66.8	0	0	0	111	H145 R146 E147 A151 T152 E153	H145-L149 WeakPolarHBondContact O-CB 3.49Å; H145-L149 PolarHBondContact O-N 3.06Å; R146-L149 WeakPolarHBondContact O-CB 3.37Å; R146-L149 PolarHBondContact O-N 2.7Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.22Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 3Å; L149-T152 PolarHBondContact O-N 3.46Å; L149-T152 VanDerWaalsContact O-N 3.09Å; L149-T152 PolarHBondContact O-OG1 2.98Å; L149-E153 PolarHBondContact O-N 2.68Å
150	N	93.4	Very high	93.9	Very high	78 Å²	78	102.6 Å²	102.6	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-55.7	-47.4	178.1	-64.9	-6.8	0	0	0	111.4	R146 E147 T152 E153 E154	R146-N150 VanDerWaalsContact O-CG 3.25Å; R146-N150 PolarHBondContact O-N 2.8Å; R146-N150 PolarHBondContact O-OD1 3.07Å; E147-N150 PolarHBondContact O-N 2.95Å; N150-T152 VanDerWaalsContact C-N 3.3Å; N150-T152 PolarHBondContact O-N 3.47Å; N150-E153 WeakPolarHBondContact O-CB 3.44Å; N150-E153 PolarHBondContact O-N 2.7Å; N150-E154 PolarHBondContact O-N 2.98Å
151	A	95.9	Very high	93.9	Very high	47 Å²	47	103.1 Å²	103.1	39%	0.388	51%	0.511	S	S	.	.	H	α-helix	trans	-62.4	-34.4	178.3	0	0	0	0	0	113	E147 L149 M155	E147-A151 WeakPolarHBondContact O-CB 3.4Å; E147-A151 PolarHBondContact O-N 3.05Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 3Å; A151-M155 WeakPolarHBondContact O-CG 3.26Å; A151-M155 PolarHBondContact O-N 2.96Å; A151-M155 VanDerWaalsContact O-N 3.16Å
152	T	92.1	Very high	93.9	Very high	75 Å²	75	104.4 Å²	104.4	46%	0.46	52%	0.519	S	S	.	.	H	α-helix	trans	-72.6	-30.5	172.2	55.7	0	0	0	0	113.3	K148 L149 N150 M155 L156	K148-T152 WeakPolarHBondContact O-CG2 3.49Å; K148-T152 PolarHBondContact O-N 3.2Å; K148-T152 VanDerWaalsContact O-N 3.09Å; K148-T152 PolarHBondContact O-OG1 2.72Å; L149-T152 PolarHBondContact O-N 3.46Å; L149-T152 VanDerWaalsContact O-N 3.09Å; L149-T152 PolarHBondContact O-OG1 2.98Å; N150-T152 VanDerWaalsContact C-N 3.3Å; N150-T152 PolarHBondContact O-N 3.47Å; T152-M155 HydrophobicContact CG2-CE 4.1Å; T152-L156 WeakPolarHBondContact O-CB 2.84Å; T152-L156 PolarHBondContact O-N 3.22Å; T152-L156 VanDerWaalsContact O-N 3.07Å
153	E	93.9	Very high	93.9	Very high	105 Å²	105	106.7 Å²	106.7	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-69.8	-44.4	173.9	-166.9	-179.7	160.1	0	0	111.3	L149 N150 M155 L156 Q157	L149-E153 PolarHBondContact O-N 2.68Å; N150-E153 WeakPolarHBondContact O-CB 3.44Å; N150-E153 PolarHBondContact O-N 2.7Å; E153-M155 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 3.27Å; E153-L156 VanDerWaalsContact O-N 3.14Å; E153-Q157 WeakPolarHBondContact O-CG 3.22Å; E153-Q157 PolarHBondContact O-N 2.98Å; E153-Q157 PolarHBondContact OE1-NE2 2.98Å
154	E	95.4	Very high	93.9	Very high	135 Å²	135	106.2 Å²	106.2	63%	0.631	52%	0.521	S	S	*	.	H	α-helix	trans	-58.8	-44.2	174.5	-71.8	-179.4	175.7	0	0	111.9	N150 L156 Q157 Q158	N150-E154 PolarHBondContact O-N 2.98Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.37Å; E154-Q157 PolarHBondContact O-N 2.85Å; E154-Q158 WeakPolarHBondContact O-CB 3.15Å; E154-Q158 PolarHBondContact O-N 3.27Å
155	M	94.1	Very high	94	Very high	125 Å²	125	104.3 Å²	104.3	62%	0.616	52%	0.523	S	S	*	.	H	α-helix	trans	-61.7	-40.3	173.9	-75.3	-167.1	-62.8	0	0	112.5	A151 T152 E153 Q158 E159	A151-M155 WeakPolarHBondContact O-CG 3.26Å; A151-M155 PolarHBondContact O-N 2.96Å; A151-M155 VanDerWaalsContact O-N 3.16Å; T152-M155 HydrophobicContact CG2-CE 4.1Å; E153-M155 PolarHBondContact O-N 3.42Å; M155-Q158 PolarHBondContact O-N 3.29Å; M155-E159 PolarHBondContact O-N 3.09Å
156	L	93.1	Very high	94.1	Very high	96 Å²	96	104.5 Å²	104.5	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-67	-39.9	177.5	-179.6	62.7	0	0	0	111.9	T152 E153 E154 E159 L160	T152-L156 WeakPolarHBondContact O-CB 2.84Å; T152-L156 PolarHBondContact O-N 3.22Å; T152-L156 VanDerWaalsContact O-N 3.07Å; E153-L156 PolarHBondContact O-N 3.27Å; E153-L156 VanDerWaalsContact O-N 3.14Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.37Å; L156-E159 PolarHBondContact O-N 3.18Å; L156-L160 HydrophobicContact CG-CD1 4.35Å; L156-L160 WeakPolarHBondContact O-CB 3.25Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3Å
157	Q	94.8	Very high	94	Very high	101 Å²	101	101.7 Å²	101.7	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-62.8	-42.5	173.5	-68.9	-179.7	23.5	0	0	111	E153 E154 L160 L161	E153-Q157 WeakPolarHBondContact O-CG 3.22Å; E153-Q157 PolarHBondContact O-N 2.98Å; E153-Q157 PolarHBondContact OE1-NE2 2.98Å; E154-Q157 PolarHBondContact O-N 2.85Å; Q157-L160 PolarHBondContact O-N 3.15Å; Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.39Å
158	Q	95.4	Very high	94	Very high	111 Å²	111	98.9 Å²	98.9	52%	0.519	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-40.6	175.3	-175.3	59.6	36.4	0	0	112.4	E154 M155 L161 C162	E154-Q158 WeakPolarHBondContact O-CB 3.15Å; E154-Q158 PolarHBondContact O-N 3.27Å; M155-Q158 PolarHBondContact O-N 3.29Å; Q158-L161 PolarHBondContact O-N 2.83Å; Q158-C162 PolarHBondContact NE2-SG 3.38Å; Q158-C162 VanDerWaalsContact NE2-SG 3.43Å; Q158-C162 PolarHBondContact O-N 3.31Å; Q158-C162 PolarHBondContact O-SG 3.42Å
159	E	93.3	Very high	94	Very high	135 Å²	135	99.2 Å²	99.2	63%	0.631	52%	0.516	S	S	*	.	H	α-helix	trans	-63.8	-41.5	175.2	-169.3	-177.7	166.8	0	0	111.5	M155 L156 L161 C162 R163	M155-E159 PolarHBondContact O-N 3.09Å; L156-E159 PolarHBondContact O-N 3.18Å; E159-L161 PolarHBondContact O-N 3.26Å; E159-C162 PolarHBondContact O-N 3.06Å; E159-R163 VanDerWaalsContact O-CB 3.26Å; E159-R163 WeakPolarHBondContact O-CB 3.38Å; E159-R163 PolarHBondContact O-N 2.72Å
160	L	93	Very high	94.3	Very high	86 Å²	86	100 Å²	100	45%	0.45	52%	0.515	S	S	.	.	H	α-helix	trans	-60.4	-41.9	174.9	-76.3	165.4	0	0	0	112.3	L156 Q157 T164	L156-L160 HydrophobicContact CG-CD1 4.35Å; L156-L160 WeakPolarHBondContact O-CB 3.25Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3Å; Q157-L160 PolarHBondContact O-N 3.15Å; L160-T164 WeakPolarHBondContact O-CB 3.29Å; L160-T164 PolarHBondContact O-N 2.74Å; L160-T164 PolarHBondContact O-OG1 3.14Å
161	L	94.9	Very high	94.4	Very high	113 Å²	113	101.4 Å²	101.4	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-64.4	-49.2	175	-70.2	171.8	0	0	0	111.6	Q157 Q158 E159 R163 T164 A165	Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.39Å; Q158-L161 PolarHBondContact O-N 2.83Å; E159-L161 PolarHBondContact O-N 3.26Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 2.88Å; L161-T164 PolarHBondContact O-N 2.68Å; L161-A165 PolarHBondContact O-N 3.21Å
162	C	94.8	Very high	94.3	Very high	61 Å²	61	105.7 Å²	105.7	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-59.3	-42.2	176.6	-73.3	0	0	0	0	112.4	Q158 E159 A165 L166	Q158-C162 PolarHBondContact NE2-SG 3.38Å; Q158-C162 VanDerWaalsContact NE2-SG 3.43Å; Q158-C162 PolarHBondContact O-N 3.31Å; Q158-C162 PolarHBondContact O-SG 3.42Å; E159-C162 PolarHBondContact O-N 3.06Å; C162-A165 PolarHBondContact O-N 3.13Å; C162-L166 WeakPolarHBondContact O-CG 3.31Å; C162-L166 PolarHBondContact O-N 2.86Å
163	R	93.7	Very high	94.5	Very high	155 Å²	155	106.5 Å²	106.5	59%	0.585	54%	0.535	S	S	*	.	H	α-helix	trans	-62.5	-44.3	175.4	174.6	-179.5	154.7	-170.1	-8.8	111.9	E159 L161 A165 L166 E167	E159-R163 VanDerWaalsContact O-CB 3.26Å; E159-R163 WeakPolarHBondContact O-CB 3.38Å; E159-R163 PolarHBondContact O-N 2.72Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 2.88Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 2.88Å; R163-L166 PolarHBondContact O-N 2.85Å; R163-E167 WeakPolarHBondContact O-CB 3.47Å; R163-E167 PolarHBondContact O-N 2.87Å
164	T	94.3	Very high	94.4	Very high	84 Å²	84	106 Å²	106	52%	0.515	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-38.3	179.3	-56.7	0	0	0	0	111.5	L160 L161 E167 T168	L160-T164 WeakPolarHBondContact O-CB 3.29Å; L160-T164 PolarHBondContact O-N 2.74Å; L160-T164 PolarHBondContact O-OG1 3.14Å; L161-T164 PolarHBondContact O-N 2.68Å; T164-E167 PolarHBondContact O-N 2.98Å; T164-T168 WeakPolarHBondContact O-CB 3.49Å; T164-T168 PolarHBondContact O-N 2.94Å; T164-T168 PolarHBondContact O-OG1 3.14Å
165	A	94.8	Very high	94.4	Very high	61 Å²	61	102.9 Å²	102.9	50%	0.504	53%	0.527	S	S	.	.	H	α-helix	trans	-63.3	-46.8	172.8	0	0	0	0	0	112.3	L161 C162 R163 E167 T168 Q169	L161-A165 PolarHBondContact O-N 3.21Å; C162-A165 PolarHBondContact O-N 3.13Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 2.88Å; A165-E167 PolarHBondContact O-N 2.69Å; A165-T168 WeakPolarHBondContact O-CB 3.37Å; A165-T168 PolarHBondContact O-N 3.49Å; A165-Q169 PolarHBondContact O-N 3.46Å
166	L	94.1	Very high	94.5	Very high	113 Å²	113	102.5 Å²	102.5	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-64.6	-37.1	176.8	-71.8	169.5	0	0	0	112.7	C162 R163 T168 Q169 K170	C162-L166 WeakPolarHBondContact O-CG 3.31Å; C162-L166 PolarHBondContact O-N 2.86Å; R163-L166 PolarHBondContact O-N 2.85Å; L166-T168 VanDerWaalsContact C-N 3.32Å; L166-Q169 PolarHBondContact O-N 3.29Å; L166-K170 WeakPolarHBondContact O-CB 3.28Å; L166-K170 PolarHBondContact O-N 2.8Å
167	E	92.8	Very high	94.6	Very high	102 Å²	102	101.4 Å²	101.4	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-66.4	-35.7	175.3	-170.7	157.7	-169.2	0	0	111.5	R163 T164 A165 L171	R163-E167 WeakPolarHBondContact O-CB 3.47Å; R163-E167 PolarHBondContact O-N 2.87Å; T164-E167 PolarHBondContact O-N 2.98Å; A165-E167 PolarHBondContact O-N 2.69Å; E167-L171 WeakPolarHBondContact O-CG 3.49Å; E167-L171 PolarHBondContact O-N 2.66Å
168	T	94.8	Very high	94.6	Very high	84 Å²	84	99.5 Å²	99.5	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-48.7	172.9	-54.5	0	0	0	0	111.6	T164 A165 L166 K170 L171 E172	T164-T168 WeakPolarHBondContact O-CB 3.49Å; T164-T168 PolarHBondContact O-N 2.94Å; T164-T168 PolarHBondContact O-OG1 3.14Å; A165-T168 WeakPolarHBondContact O-CB 3.37Å; A165-T168 PolarHBondContact O-N 3.49Å; L166-T168 VanDerWaalsContact C-N 3.32Å; T168-K170 VanDerWaalsContact C-N 3.28Å; T168-K170 PolarHBondContact O-N 2.73Å; T168-L171 WeakPolarHBondContact O-CB 3.44Å; T168-L171 PolarHBondContact O-N 2.93Å; T168-L171 VanDerWaalsContact O-N 3.07Å; T168-E172 PolarHBondContact O-N 3.13Å
169	Q	95.5	Very high	94.6	Very high	105 Å²	105	98.1 Å²	98.1	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-35.9	176.8	-169	-178.4	29.1	0	0	112.3	A165 L166 E172 L173	A165-Q169 PolarHBondContact O-N 3.46Å; L166-Q169 PolarHBondContact O-N 3.29Å; Q169-E172 PolarHBondContact O-N 2.9Å; Q169-L173 HydrophobicContact CG-CD1 4.38Å; Q169-L173 WeakPolarHBondContact O-CG 3.47Å; Q169-L173 PolarHBondContact O-N 3.5Å
170	K	95.7	Very high	94.7	Very high	129 Å²	129	96.2 Å²	96.2	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-63.1	-40.7	173.3	178.8	-172.6	171.6	-169.6	0	112.2	L166 T168 M174	L166-K170 WeakPolarHBondContact O-CB 3.28Å; L166-K170 PolarHBondContact O-N 2.8Å; T168-K170 VanDerWaalsContact C-N 3.28Å; T168-K170 PolarHBondContact O-N 2.73Å; K170-M174 HydrophobicContact CG-CE 4.41Å; K170-M174 WeakPolarHBondContact O-CG 3.42Å; K170-M174 PolarHBondContact O-N 3.29Å
171	L	95.1	Very high	94.8	Very high	106 Å²	106	98.2 Å²	98.2	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-65.6	-41.7	176.7	-71.4	163.8	0	0	0	111.4	E167 T168 M174 S175	E167-L171 WeakPolarHBondContact O-CG 3.49Å; E167-L171 PolarHBondContact O-N 2.66Å; T168-L171 WeakPolarHBondContact O-CB 3.44Å; T168-L171 PolarHBondContact O-N 2.93Å; T168-L171 VanDerWaalsContact O-N 3.07Å; L171-M174 HydrophobicContact CD2-CE 3.8Å; L171-M174 PolarHBondContact O-N 3.34Å; L171-S175 PolarHBondContact O-N 3.3Å
172	E	95.2	Very high	94.7	Very high	138 Å²	138	98.5 Å²	98.5	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-59.6	-50.1	174.6	-174	171.6	-146.8	0	0	111.8	T168 Q169 M174 S175 E176	T168-E172 PolarHBondContact O-N 3.13Å; Q169-E172 PolarHBondContact O-N 2.9Å; E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.11Å; E172-S175 WeakPolarHBondContact O-CA 3.48Å; E172-S175 VanDerWaalsContact O-CB 3.31Å; E172-S175 WeakPolarHBondContact O-CB 3.39Å; E172-S175 PolarHBondContact O-N 3.22Å; E172-E176 PolarHBondContact O-N 3.06Å
173	L	96	Very high	94.7	Very high	92 Å²	92	102 Å²	102	48%	0.482	52%	0.523	S	S	.	.	H	α-helix	trans	-62	-35.6	176.1	-71.9	169.5	0	0	0	113.1	Q169 S175 E176 V177	Q169-L173 HydrophobicContact CG-CD1 4.38Å; Q169-L173 WeakPolarHBondContact O-CG 3.47Å; Q169-L173 PolarHBondContact O-N 3.5Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-E176 PolarHBondContact O-N 3.07Å; L173-V177 WeakPolarHBondContact O-CB 3.47Å; L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.28Å
174	M	92.8	Very high	94.7	Very high	95 Å²	95	99.3 Å²	99.3	47%	0.468	52%	0.52	S	S	.	.	H	α-helix	trans	-68.7	-32.8	173.9	-73	-169.4	-52.7	0	0	112.4	K170 L171 E172 S178	K170-M174 HydrophobicContact CG-CE 4.41Å; K170-M174 WeakPolarHBondContact O-CG 3.42Å; K170-M174 PolarHBondContact O-N 3.29Å; L171-M174 HydrophobicContact CD2-CE 3.8Å; L171-M174 PolarHBondContact O-N 3.34Å; E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.11Å; M174-S178 WeakPolarHBondContact O-CB 3.42Å; M174-S178 PolarHBondContact O-N 3.37Å; M174-S178 VanDerWaalsContact O-N 3.11Å; M174-S178 PolarHBondContact O-OG 3.12Å
175	S	94.8	Very high	94.7	Very high	68 Å²	68	100.4 Å²	100.4	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-66.9	-45.2	171.2	-174.5	0	0	0	0	111.4	L171 E172 L173 S178 N179	L171-S175 PolarHBondContact O-N 3.3Å; E172-S175 WeakPolarHBondContact O-CA 3.48Å; E172-S175 VanDerWaalsContact O-CB 3.31Å; E172-S175 WeakPolarHBondContact O-CB 3.39Å; E172-S175 PolarHBondContact O-N 3.22Å; L173-S175 VanDerWaalsContact C-N 3.34Å; S175-S178 WeakPolarHBondContact O-CB 3.45Å; S175-S178 PolarHBondContact O-N 3.23Å; S175-S178 VanDerWaalsContact O-N 3.17Å; S175-N179 PolarHBondContact O-N 3.04Å; S175-N179 PolarHBondContact O-ND2 3.08Å
176	E	96.1	Very high	94.6	Very high	117 Å²	117	100.3 Å²	100.3	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-45.4	178.2	-171.8	170.9	-145.4	0	0	112	E172 L173 S178 N179 L180	E172-E176 PolarHBondContact O-N 3.06Å; L173-E176 PolarHBondContact O-N 3.07Å; E176-S178 PolarHBondContact O-N 3.36Å; E176-N179 WeakPolarHBondContact O-CB 3.48Å; E176-N179 PolarHBondContact O-N 3.15Å; E176-N179 VanDerWaalsContact O-N 3.14Å; E176-L180 HydrophobicContact CG-CD1 4.28Å; E176-L180 HydrophobicContact CG-CG 4.47Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 3.24Å
177	V	95.3	Very high	94.5	Very high	73 Å²	73	100.4 Å²	100.4	44%	0.442	52%	0.519	S	S	.	.	H	α-helix	trans	-58.6	-35.2	173.6	167.5	0	0	0	0	111.9	L173 K181	L173-V177 WeakPolarHBondContact O-CB 3.47Å; L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.28Å; V177-K181 HydrophobicContact CG1-CD 4.47Å; V177-K181 WeakPolarHBondContact O-CG 3.45Å; V177-K181 PolarHBondContact O-N 3.07Å
178	S	94.7	Very high	94.5	Very high	62 Å²	62	98.5 Å²	98.5	43%	0.434	51%	0.512	S	S	.	.	H	α-helix	trans	-70.6	-42	176.4	-58.9	0	0	0	0	111.7	M174 S175 E176 L180 K181 L182	M174-S178 WeakPolarHBondContact O-CB 3.42Å; M174-S178 PolarHBondContact O-N 3.37Å; M174-S178 VanDerWaalsContact O-N 3.11Å; M174-S178 PolarHBondContact O-OG 3.12Å; S175-S178 WeakPolarHBondContact O-CB 3.45Å; S175-S178 PolarHBondContact O-N 3.23Å; S175-S178 VanDerWaalsContact O-N 3.17Å; E176-S178 PolarHBondContact O-N 3.36Å; S178-L180 PolarHBondContact O-N 3.37Å; S178-K181 PolarHBondContact O-N 3.08Å; S178-L182 WeakPolarHBondContact O-CG 3.44Å; S178-L182 PolarHBondContact O-N 3.38Å
179	N	94.3	Very high	94.3	Very high	82 Å²	82	100.5 Å²	100.5	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-39.9	172.8	-82.5	-83.6	0	0	0	112.5	S175 E176 L182 K183	S175-N179 PolarHBondContact O-N 3.04Å; S175-N179 PolarHBondContact O-ND2 3.08Å; E176-N179 WeakPolarHBondContact O-CB 3.48Å; E176-N179 PolarHBondContact O-N 3.15Å; E176-N179 VanDerWaalsContact O-N 3.14Å; N179-L182 PolarHBondContact O-N 3.34Å; N179-K183 WeakPolarHBondContact O-CG 3.45Å; N179-K183 PolarHBondContact O-N 2.87Å
180	L	95.9	Very high	94.1	Very high	95 Å²	95	98.7 Å²	98.7	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-38.6	175.5	-69.8	173.2	0	0	0	112	E176 S178 K183 L184	E176-L180 HydrophobicContact CG-CD1 4.28Å; E176-L180 HydrophobicContact CG-CG 4.47Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 3.24Å; S178-L180 PolarHBondContact O-N 3.37Å; L180-K183 PolarHBondContact O-N 3.33Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 PolarHBondContact O-N 2.82Å
181	K	94.5	Very high	94	Very high	128 Å²	128	99.1 Å²	99.1	56%	0.557	51%	0.505	S	S	*	.	H	α-helix	trans	-63.2	-41.3	172.2	-75.7	172.5	179.1	178.4	0	112.6	V177 S178 L184 N185	V177-K181 HydrophobicContact CG1-CD 4.47Å; V177-K181 WeakPolarHBondContact O-CG 3.45Å; V177-K181 PolarHBondContact O-N 3.07Å; S178-K181 PolarHBondContact O-N 3.08Å; K181-L184 PolarHBondContact O-N 3.28Å; K181-N185 WeakPolarHBondContact O-CB 3.33Å; K181-N185 VanDerWaalsContact O-CG 3.25Å; K181-N185 PolarHBondContact O-N 2.92Å
182	L	94.1	Very high	93.8	Very high	118 Å²	118	98.8 Å²	98.8	62%	0.618	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-42.7	175.5	-69.5	173.5	0	0	0	111.7	S178 N179 N185 S186	S178-L182 WeakPolarHBondContact O-CG 3.44Å; S178-L182 PolarHBondContact O-N 3.38Å; N179-L182 PolarHBondContact O-N 3.34Å; L182-N185 PolarHBondContact O-N 3.43Å; L182-S186 PolarHBondContact O-N 3.35Å
183	K	95.1	Very high	93.5	Very high	136 Å²	136	94.4 Å²	94.4	59%	0.591	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-43.3	173.7	-73.7	175.4	178.5	175.6	0	112.4	N179 L180 S186 L187	N179-K183 WeakPolarHBondContact O-CG 3.45Å; N179-K183 PolarHBondContact O-N 2.87Å; L180-K183 PolarHBondContact O-N 3.33Å; K183-S186 WeakPolarHBondContact O-CB 3.38Å; K183-S186 PolarHBondContact O-N 3.2Å; K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 3.29Å
184	L	93.5	Very high	93.1	Very high	98 Å²	98	97 Å²	97	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-62.1	-46.7	177.1	-176.5	63.4	0	0	0	111.5	L180 K181 S186 L187 D188	L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 PolarHBondContact O-N 2.82Å; K181-L184 PolarHBondContact O-N 3.28Å; L184-S186 VanDerWaalsContact C-N 3.26Å; L184-S186 PolarHBondContact O-N 2.96Å; L184-L187 PolarHBondContact O-N 2.68Å; L184-L187 VanDerWaalsContact O-N 3.15Å; L184-D188 PolarHBondContact O-N 3.45Å
185	N	93.1	Very high	92.9	Very high	106 Å²	106	94.6 Å²	94.6	57%	0.567	48%	0.481	S	S	*	.	H	α-helix	trans	-60.5	-33.8	176.1	-71.4	-12.9	0	0	0	112.7	K181 L182 K189	K181-N185 WeakPolarHBondContact O-CB 3.33Å; K181-N185 VanDerWaalsContact O-CG 3.25Å; K181-N185 PolarHBondContact O-N 2.92Å; L182-N185 PolarHBondContact O-N 3.43Å; N185-K189 WeakPolarHBondContact O-CB 3.46Å; N185-K189 PolarHBondContact O-N 3.38Å
186	S	92.5	Very high	92.5	Very high	60 Å²	60	97.7 Å²	97.7	42%	0.42	48%	0.482	S	S	.	.	H	α-helix	trans	-65.7	-51.8	172.1	-164.5	0	0	0	0	110.8	L182 K183 L184 D188 K189 D190	L182-S186 PolarHBondContact O-N 3.35Å; K183-S186 WeakPolarHBondContact O-CB 3.38Å; K183-S186 PolarHBondContact O-N 3.2Å; L184-S186 VanDerWaalsContact C-N 3.26Å; L184-S186 PolarHBondContact O-N 2.96Å; S186-D188 PolarHBondContact O-N 2.92Å; S186-K189 WeakPolarHBondContact O-CB 3.29Å; S186-K189 PolarHBondContact O-N 2.99Å; S186-K189 VanDerWaalsContact O-N 3.09Å; S186-D190 PolarHBondContact O-N 2.87Å
187	L	93.3	Very high	92	Very high	114 Å²	114	99.2 Å²	99.2	60%	0.597	49%	0.487	S	S	*	.	H	α-helix	trans	-62.9	-38.3	-177.8	-70.8	170.3	0	0	0	113	K183 L184 D190 R191	K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 3.29Å; L184-L187 PolarHBondContact O-N 2.68Å; L184-L187 VanDerWaalsContact O-N 3.15Å; L187-D190 PolarHBondContact O-N 2.97Å; L187-R191 WeakPolarHBondContact O-CB 3.36Å; L187-R191 PolarHBondContact O-N 3.47Å
188	D	91.4	Very high	91.6	Very high	62 Å²	62	101.9 Å²	101.9	33%	0.332	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-34.1	174.2	-87.4	-36.7	0	0	0	112.3	L184 S186 R191 L192	L184-D188 PolarHBondContact O-N 3.45Å; S186-D188 PolarHBondContact O-N 2.92Å; D188-R191 PolarHBondContact O-N 2.95Å; D188-R191 IonicContact OD1-CZ 3.22Å; D188-R191 IonicContact OD1-NH1 2.85Å; D188-R191 PolarHBondContact OD1-NH1 2.9Å; D188-L192 VanDerWaalsContact O-CG 3.28Å; D188-L192 WeakPolarHBondContact O-CG 3.28Å; D188-L192 PolarHBondContact O-N 3.37Å
189	K	91.6	Very high	91.2	Very high	126 Å²	126	103.6 Å²	103.6	55%	0.548	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-47.1	171.2	-173.9	-163.6	168.2	-159.6	0	111.1	N185 S186 R191 L192 D193	N185-K189 WeakPolarHBondContact O-CB 3.46Å; N185-K189 PolarHBondContact O-N 3.38Å; S186-K189 WeakPolarHBondContact O-CB 3.29Å; S186-K189 PolarHBondContact O-N 2.99Å; S186-K189 VanDerWaalsContact O-N 3.09Å; K189-R191 PolarHBondContact O-N 3.34Å; K189-L192 PolarHBondContact O-N 3.03Å; K189-L192 VanDerWaalsContact O-N 3.14Å; K189-D193 PolarHBondContact O-N 3.12Å
190	D	91.3	Very high	90.7	Very high	67 Å²	67	102.6 Å²	102.6	36%	0.358	49%	0.493	S	S	.	.	H	α-helix	trans	-59.7	-39.7	177.8	-61.1	-32.8	0	0	0	110.2	S186 L187 D193 F194	S186-D190 PolarHBondContact O-N 2.87Å; L187-D190 PolarHBondContact O-N 2.97Å; D190-D193 PolarHBondContact O-N 2.94Å; D190-F194 WeakPolarHBondContact O-CD2 3.38Å; D190-F194 PolarHBondContact O-N 2.88Å
191	R	92.9	Very high	90.4	Very high	139 Å²	139	104 Å²	104	53%	0.525	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-45.6	173.6	-157.8	-169.4	89.1	-146.7	12	112.6	L187 D188 K189 D193 F194 D195	L187-R191 WeakPolarHBondContact O-CB 3.36Å; L187-R191 PolarHBondContact O-N 3.47Å; D188-R191 PolarHBondContact O-N 2.95Å; D188-R191 IonicContact OD1-CZ 3.22Å; D188-R191 IonicContact OD1-NH1 2.85Å; D188-R191 PolarHBondContact OD1-NH1 2.9Å; K189-R191 PolarHBondContact O-N 3.34Å; R191-D193 VanDerWaalsContact C-N 3.27Å; R191-D193 PolarHBondContact O-N 3.05Å; R191-F194 PolarHBondContact O-N 3.02Å; R191-D195 IonicContact NE-OD2 3.98Å; R191-D195 PolarHBondContact O-N 3.02Å
192	L	90.7	Very high	90	Very high	99 Å²	99	104 Å²	104	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-29.8	174.8	-73.1	168.2	0	0	0	112.7	D188 K189 R196	D188-L192 VanDerWaalsContact O-CG 3.28Å; D188-L192 WeakPolarHBondContact O-CG 3.28Å; D188-L192 PolarHBondContact O-N 3.37Å; K189-L192 PolarHBondContact O-N 3.03Å; K189-L192 VanDerWaalsContact O-N 3.14Å; L192-R196 WeakPolarHBondContact O-CG 3.17Å; L192-R196 PolarHBondContact O-N 2.89Å; L192-R196 PolarHBondContact O-NH1 3.28Å
193	D	89.4	Confident	89.7	Confident	46 Å²	46	104.7 Å²	104.7	25%	0.246	50%	0.499	C	S	.	.	H	α-helix	trans	-71.5	-43.7	173	-73.2	3.6	0	0	0	110.4	K189 D190 R191 R196 F197	K189-D193 PolarHBondContact O-N 3.12Å; D190-D193 PolarHBondContact O-N 2.94Å; R191-D193 VanDerWaalsContact C-N 3.27Å; R191-D193 PolarHBondContact O-N 3.05Å; D193-R196 PolarHBondContact O-N 3.31Å; D193-R196 IonicContact OD1-CZ 2.69Å; D193-R196 IonicContact OD1-NH1 3.14Å; D193-R196 PolarHBondContact OD1-NH1 2.93Å; D193-R196 IonicContact OD1-NH2 3.71Å; D193-R196 PolarHBondContact OD1-NH2 3.38Å; D193-R196 IonicContact OD2-NH2 3.49Å; D193-F197 VanDerWaalsContact O-CD2 3.24Å; D193-F197 WeakPolarHBondContact O-CD2 3.42Å; D193-F197 PolarHBondContact O-N 3.31Å; D193-F197 VanDerWaalsContact O-N 3.07Å
194	F	88.8	Confident	89.3	Confident	147 Å²	147	103.8 Å²	103.8	65%	0.645	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-40.8	171.5	-80.6	-64.9	0	0	0	113.5	D190 R191 R196 F197 R198	D190-F194 WeakPolarHBondContact O-CD2 3.38Å; D190-F194 PolarHBondContact O-N 2.88Å; R191-F194 PolarHBondContact O-N 3.02Å; F194-R196 PolarHBondContact O-N 3.4Å; F194-F197 PolarHBondContact O-N 3.01Å; F194-R198 PolarHBondContact O-N 3.02Å
195	D	87.1	Confident	89.1	Confident	44 Å²	44	103.2 Å²	103.2	24%	0.235	50%	0.497	C	S	.	.	H	α-helix	trans	-61.9	-42.5	176.9	-75.4	-33.8	0	0	0	110.9	R191 F197 R198 D199	R191-D195 IonicContact NE-OD2 3.98Å; R191-D195 PolarHBondContact O-N 3.02Å; D195-F197 VanDerWaalsContact C-N 3.34Å; D195-F197 PolarHBondContact O-N 3.49Å; D195-R198 WeakPolarHBondContact O-CB 3.26Å; D195-R198 PolarHBondContact O-N 2.82Å; D195-R198 IonicContact OD1-CZ 3.14Å; D195-R198 IonicContact OD1-NE 2.71Å; D195-R198 IonicContact OD1-NH2 2.69Å; D195-R198 PolarHBondContact OD1-NH2 3.31Å; D195-D199 PolarHBondContact O-N 2.85Å
196	R	86.7	Confident	88.8	Confident	133 Å²	133	100.9 Å²	100.9	50%	0.502	49%	0.489	S	S	.	.	H	α-helix	trans	-66.7	-31.8	173.5	-67.7	-167.7	-42.3	-77.4	4.3	113.8	L192 D193 F194 S200	L192-R196 WeakPolarHBondContact O-CG 3.17Å; L192-R196 PolarHBondContact O-N 2.89Å; L192-R196 PolarHBondContact O-NH1 3.28Å; D193-R196 PolarHBondContact O-N 3.31Å; D193-R196 IonicContact OD1-CZ 2.69Å; D193-R196 IonicContact OD1-NH1 3.14Å; D193-R196 PolarHBondContact OD1-NH1 2.93Å; D193-R196 IonicContact OD1-NH2 3.71Å; D193-R196 PolarHBondContact OD1-NH2 3.38Å; D193-R196 IonicContact OD2-NH2 3.49Å; F194-R196 PolarHBondContact O-N 3.4Å; R196-S200 WeakPolarHBondContact O-CB 3.5Å; R196-S200 PolarHBondContact O-N 3.35Å; R196-S200 VanDerWaalsContact O-N 3.08Å; R196-S200 PolarHBondContact O-OG 3.44Å
197	F	86.4	Confident	88.6	Confident	148 Å²	148	102.2 Å²	102.2	65%	0.649	49%	0.491	S	S	*	.	H	α-helix	trans	-65.4	-41	173.4	-88.6	-67.9	0	0	0	111.4	D193 F194 D195 S200 E201	D193-F197 VanDerWaalsContact O-CD2 3.24Å; D193-F197 WeakPolarHBondContact O-CD2 3.42Å; D193-F197 PolarHBondContact O-N 3.31Å; D193-F197 VanDerWaalsContact O-N 3.07Å; F194-F197 PolarHBondContact O-N 3.01Å; D195-F197 VanDerWaalsContact C-N 3.34Å; D195-F197 PolarHBondContact O-N 3.49Å; F197-S200 WeakPolarHBondContact O-CB 3.41Å; F197-S200 PolarHBondContact O-N 3.24Å; F197-E201 PolarHBondContact O-N 2.95Å
198	R	87	Confident	88.3	Confident	129 Å²	129	103.7 Å²	103.7	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-59.4	-50	173.9	-171.6	-150.7	-46.5	-76.1	-1.1	111.6	F194 D195 S200 E201 E202	F194-R198 PolarHBondContact O-N 3.02Å; D195-R198 WeakPolarHBondContact O-CB 3.26Å; D195-R198 PolarHBondContact O-N 2.82Å; D195-R198 IonicContact OD1-CZ 3.14Å; D195-R198 IonicContact OD1-NE 2.71Å; D195-R198 IonicContact OD1-NH2 2.69Å; D195-R198 PolarHBondContact OD1-NH2 3.31Å; R198-S200 VanDerWaalsContact C-N 3.26Å; R198-S200 PolarHBondContact O-N 3.45Å; R198-E201 WeakPolarHBondContact O-CB 3.38Å; R198-E201 PolarHBondContact O-N 3.19Å; R198-E201 VanDerWaalsContact O-N 3.1Å; R198-E202 PolarHBondContact O-N 3.35Å
199	D	86.8	Confident	88.1	Confident	99 Å²	99	108.9 Å²	108.9	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-58.1	-41	177.7	-62.7	-18.6	0	0	0	111.4	D195 E202 E203	D195-D199 PolarHBondContact O-N 2.85Å; D199-E202 PolarHBondContact O-N 2.97Å; D199-E203 PolarHBondContact O-N 3.2Å
200	S	82.7	Confident	87.7	Confident	60 Å²	60	108.5 Å²	108.5	42%	0.42	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-34.5	177.5	-55.6	0	0	0	0	112.7	R196 F197 R198 L204	R196-S200 WeakPolarHBondContact O-CB 3.5Å; R196-S200 PolarHBondContact O-N 3.35Å; R196-S200 VanDerWaalsContact O-N 3.08Å; R196-S200 PolarHBondContact O-OG 3.44Å; F197-S200 WeakPolarHBondContact O-CB 3.41Å; F197-S200 PolarHBondContact O-N 3.24Å; R198-S200 VanDerWaalsContact C-N 3.26Å; R198-S200 PolarHBondContact O-N 3.45Å; S200-L204 WeakPolarHBondContact O-CB 3.32Å; S200-L204 WeakPolarHBondContact O-CG 3.32Å; S200-L204 PolarHBondContact O-N 2.72Å
201	E	89.6	Confident	87.3	Confident	125 Å²	125	110.8 Å²	110.8	58%	0.584	52%	0.515	S	S	*	.	H	α-helix	trans	-69.9	-41.8	175.1	-174.4	172.3	-158.6	0	0	111.4	F197 R198 L204 L205	F197-E201 PolarHBondContact O-N 2.95Å; R198-E201 WeakPolarHBondContact O-CB 3.38Å; R198-E201 PolarHBondContact O-N 3.19Å; R198-E201 VanDerWaalsContact O-N 3.1Å; E201-L204 PolarHBondContact O-N 2.71Å; E201-L205 HydrophobicContact CG-CD1 4.29Å; E201-L205 WeakPolarHBondContact O-CB 3.38Å; E201-L205 VanDerWaalsContact O-CG 3.29Å; E201-L205 WeakPolarHBondContact O-CG 3.49Å; E201-L205 PolarHBondContact O-N 2.98Å
202	E	86.8	Confident	86.7	Confident	127 Å²	127	109.1 Å²	109.1	59%	0.593	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-40.2	174.1	-69.9	-166.8	-162.4	0	0	112.3	R198 D199 L205 S206	R198-E202 PolarHBondContact O-N 3.35Å; D199-E202 PolarHBondContact O-N 2.97Å; E202-L205 PolarHBondContact O-N 2.85Å; E202-S206 PolarHBondContact O-N 3.34Å
203	E	87.7	Confident	86.1	Confident	134 Å²	134	106.3 Å²	106.3	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-65.1	-41.3	175.2	-169.2	170.1	-135.3	0	0	111.8	D199 L205 S206 L207	D199-E203 PolarHBondContact O-N 3.2Å; E203-L205 PolarHBondContact O-N 2.81Å; E203-S206 WeakPolarHBondContact O-CB 3.36Å; E203-S206 PolarHBondContact O-N 3.25Å; E203-S206 VanDerWaalsContact O-N 3.16Å; E203-L207 HydrophobicContact CG-CD1 4.4Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 2.9Å
204	L	86.7	Confident	85.6	Confident	117 Å²	117	110.4 Å²	110.4	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-61.1	-42	172.1	-78.4	168.1	0	0	0	112.4	S200 E201 S206 L207 R208	S200-L204 WeakPolarHBondContact O-CB 3.32Å; S200-L204 WeakPolarHBondContact O-CG 3.32Å; S200-L204 PolarHBondContact O-N 2.72Å; E201-L204 PolarHBondContact O-N 2.71Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.3Å; L204-L207 PolarHBondContact O-N 2.79Å; L204-R208 VanDerWaalsContact O-CB 3.28Å; L204-R208 WeakPolarHBondContact O-CB 3.47Å; L204-R208 PolarHBondContact O-N 3.41Å
205	L	89.4	Confident	85.1	Confident	86 Å²	86	107.8 Å²	107.8	45%	0.45	52%	0.517	S	S	.	.	H	α-helix	trans	-68.2	-22.7	175.4	-71.6	169.5	0	0	0	113.2	E201 E202 E203 R209	E201-L205 HydrophobicContact CG-CD1 4.29Å; E201-L205 WeakPolarHBondContact O-CB 3.38Å; E201-L205 VanDerWaalsContact O-CG 3.29Å; E201-L205 WeakPolarHBondContact O-CG 3.49Å; E201-L205 PolarHBondContact O-N 2.98Å; E202-L205 PolarHBondContact O-N 2.85Å; E203-L205 PolarHBondContact O-N 2.81Å; L205-R209 PolarHBondContact O-NE 3.42Å; L205-R209 PolarHBondContact O-NH2 3.13Å
206	S	86.9	Confident	84.4	Confident	57 Å²	57	107 Å²	107	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-76.2	-50.9	171	-170.2	0	0	0	0	111.2	E202 E203 L204 R208 R209 Q210	E202-S206 PolarHBondContact O-N 3.34Å; E203-S206 WeakPolarHBondContact O-CB 3.36Å; E203-S206 PolarHBondContact O-N 3.25Å; E203-S206 VanDerWaalsContact O-N 3.16Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.3Å; S206-R208 VanDerWaalsContact C-N 3.33Å; S206-R208 PolarHBondContact O-N 3.01Å; S206-R209 WeakPolarHBondContact O-CB 3.36Å; S206-R209 PolarHBondContact O-N 2.91Å; S206-R209 VanDerWaalsContact O-N 3.14Å; S206-Q210 PolarHBondContact O-N 3.14Å; S206-Q210 VanDerWaalsContact O-N 3.08Å
207	L	87.9	Confident	83.9	Confident	87 Å²	87	105.6 Å²	105.6	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-40.8	177.6	-71.3	169.2	0	0	0	112.3	E203 L204 R209 Q210 L211	E203-L207 HydrophobicContact CG-CD1 4.4Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 2.9Å; L204-L207 PolarHBondContact O-N 2.79Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.71Å; L207-Q210 PolarHBondContact O-N 3.42Å; L207-Q210 VanDerWaalsContact O-N 3.17Å; L207-L211 PolarHBondContact O-N 2.99Å
208	R	87.5	Confident	83	Confident	145 Å²	145	103.6 Å²	103.6	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-40.1	176	-166.3	178.9	-173.6	-65.8	-10.8	112.1	L204 S206 L211 E212	L204-R208 VanDerWaalsContact O-CB 3.28Å; L204-R208 WeakPolarHBondContact O-CB 3.47Å; L204-R208 PolarHBondContact O-N 3.41Å; S206-R208 VanDerWaalsContact C-N 3.33Å; S206-R208 PolarHBondContact O-N 3.01Å; R208-L211 PolarHBondContact O-N 3.39Å; R208-E212 IonicContact CZ-OE1 3.98Å; R208-E212 IonicContact NH1-OE1 3.23Å; R208-E212 PolarHBondContact NH1-OE1 3.45Å; R208-E212 IonicContact NH1-OE2 3.52Å; R208-E212 PolarHBondContact NH1-OE2 3.37Å; R208-E212 IonicContact NH2-OE1 3.36Å; R208-E212 PolarHBondContact O-N 3.13Å
209	R	86.4	Confident	82.2	Confident	171 Å²	171	105.4 Å²	105.4	65%	0.645	52%	0.519	S	S	*	.	H	α-helix	trans	-67.1	-38.2	174.5	-108.5	176.7	-65.9	-167.9	0.4	112.9	L205 S206 L207 L211 G213	L205-R209 PolarHBondContact O-NE 3.42Å; L205-R209 PolarHBondContact O-NH2 3.13Å; S206-R209 WeakPolarHBondContact O-CB 3.36Å; S206-R209 PolarHBondContact O-N 2.91Å; S206-R209 VanDerWaalsContact O-N 3.14Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.71Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-G213 PolarHBondContact O-N 2.86Å
210	Q	82.6	Confident	81.3	Confident	119 Å²	119	108 Å²	108	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-66.3	-37.1	174.9	-67.8	-169.5	11.2	0	0	112	S206 L207 G213 K214	S206-Q210 PolarHBondContact O-N 3.14Å; S206-Q210 VanDerWaalsContact O-N 3.08Å; L207-Q210 PolarHBondContact O-N 3.42Å; L207-Q210 VanDerWaalsContact O-N 3.17Å; Q210-G213 PolarHBondContact O-N 3.26Å; Q210-K214 WeakPolarHBondContact O-CB 3.35Å; Q210-K214 PolarHBondContact O-N 3.21Å
211	L	82.9	Confident	80.4	Confident	114 Å²	114	110.6 Å²	110.6	60%	0.597	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-49	174.1	-76.2	165.3	0	0	0	111.6	L207 R208 R209 G213 K214 D215	L207-L211 PolarHBondContact O-N 2.99Å; R208-L211 PolarHBondContact O-N 3.39Å; R209-L211 VanDerWaalsContact C-N 3.34Å; L211-G213 VanDerWaalsContact C-N 3.27Å; L211-G213 PolarHBondContact O-N 2.89Å; L211-K214 PolarHBondContact O-N 3.4Å; L211-K214 VanDerWaalsContact O-N 3.11Å; L211-D215 PolarHBondContact O-N 2.99Å
212	E	80.9	Confident	78.8	Confident	105 Å²	105	110.2 Å²	110.2	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-59.9	-36.9	175.5	-73.4	174.7	151.2	0	0	112.2	R208 G216	R208-E212 IonicContact CZ-OE1 3.98Å; R208-E212 IonicContact NH1-OE1 3.23Å; R208-E212 PolarHBondContact NH1-OE1 3.45Å; R208-E212 IonicContact NH1-OE2 3.52Å; R208-E212 PolarHBondContact NH1-OE2 3.37Å; R208-E212 IonicContact NH2-OE1 3.36Å; R208-E212 PolarHBondContact O-N 3.13Å; E212-G216 PolarHBondContact O-N 2.72Å; E212-G216 VanDerWaalsContact O-N 3.13Å
213	G	78.6	Confident	77.4	Confident	40 Å²	40	109.5 Å²	109.5	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-44.7	172.3	0	0	0	0	0	113.3	R209 Q210 L211 G216 E217	R209-G213 PolarHBondContact O-N 2.86Å; Q210-G213 PolarHBondContact O-N 3.26Å; L211-G213 VanDerWaalsContact C-N 3.27Å; L211-G213 PolarHBondContact O-N 2.89Å; G213-G216 WeakPolarHBondContact O-CA 3.49Å; G213-G216 PolarHBondContact O-N 3.11Å; G213-E217 PolarHBondContact O-N 2.91Å
214	K	78.9	Confident	76	Confident	131 Å²	131	109.3 Å²	109.3	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-75.3	-30.3	179.9	-78.1	-169.9	172.4	-176.8	0	114.1	Q210 L211 G216 E217 M218	Q210-K214 WeakPolarHBondContact O-CB 3.35Å; Q210-K214 PolarHBondContact O-N 3.21Å; L211-K214 PolarHBondContact O-N 3.4Å; L211-K214 VanDerWaalsContact O-N 3.11Å; K214-G216 VanDerWaalsContact C-N 3.26Å; K214-G216 PolarHBondContact O-N 3.14Å; K214-E217 PolarHBondContact O-N 3.05Å; K214-M218 WeakPolarHBondContact O-CB 3.39Å; K214-M218 PolarHBondContact O-N 3.17Å
215	D	77.1	Confident	74.4	Confident	93 Å²	93	109.1 Å²	109.1	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-34.9	167.5	-85.1	6.4	0	0	0	110.8	L211 R219	L211-D215 PolarHBondContact O-N 2.99Å; D215-R219 WeakPolarHBondContact O-CB 3.41Å; D215-R219 PolarHBondContact O-N 2.88Å
216	G	73.8	Confident	72.4	Confident	28 Å²	28	110.1 Å²	110.1	29%	0.289	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-37.7	170.6	0	0	0	0	0	113.7	E212 G213 K214 R220	E212-G216 PolarHBondContact O-N 2.72Å; E212-G216 VanDerWaalsContact O-N 3.13Å; G213-G216 WeakPolarHBondContact O-CA 3.49Å; G213-G216 PolarHBondContact O-N 3.11Å; K214-G216 VanDerWaalsContact C-N 3.26Å; K214-G216 PolarHBondContact O-N 3.14Å; G216-R220 WeakPolarHBondContact O-CG 3.47Å; G216-R220 PolarHBondContact O-N 2.84Å; G216-R220 PolarHBondContact O-NE 3.01Å
217	E	74.4	Confident	70.2	Confident	102 Å²	102	116.7 Å²	116.7	48%	0.477	57%	0.567	S	S	.	*	H	α-helix	trans	-68.7	-45.5	170.6	-70	-177.1	148.4	0	0	112.3	G213 K214 R219 R220 L221	G213-E217 PolarHBondContact O-N 2.91Å; K214-E217 PolarHBondContact O-N 3.05Å; E217-R219 VanDerWaalsContact C-N 3.29Å; E217-R219 PolarHBondContact O-N 3.29Å; E217-R220 VanDerWaalsContact CG-NH2 3.31Å; E217-R220 PolarHBondContact O-N 3.49Å; E217-L221 WeakPolarHBondContact O-CG 3.36Å; E217-L221 PolarHBondContact O-N 3.27Å
218	M	67.8	Low	67.9	Low	107 Å²	107	122 Å²	122	53%	0.527	59%	0.586	S	S	.	*	H	α-helix	trans	-61.5	-38	179.3	-170.6	-179.9	-59	0	0	111.8	K214 L221 Q222	K214-M218 WeakPolarHBondContact O-CB 3.39Å; K214-M218 PolarHBondContact O-N 3.17Å; M218-L221 PolarHBondContact O-N 2.91Å; M218-Q222 WeakPolarHBondContact O-CG 3.43Å; M218-Q222 PolarHBondContact O-N 3.47Å
219	R	71.8	Confident	65.9	Low	167 Å²	167	120.9 Å²	120.9	63%	0.63	60%	0.598	S	S	*	*	H	α-helix	trans	-64.7	-47.1	176	-162.2	171.7	-56.9	-155.3	1.6	112	D215 E217 L221 Q222 D223	D215-R219 WeakPolarHBondContact O-CB 3.41Å; D215-R219 PolarHBondContact O-N 2.88Å; E217-R219 VanDerWaalsContact C-N 3.29Å; E217-R219 PolarHBondContact O-N 3.29Å; R219-L221 VanDerWaalsContact C-N 3.34Å; R219-L221 PolarHBondContact O-N 3.29Å; R219-Q222 WeakPolarHBondContact O-CB 3.36Å; R219-Q222 PolarHBondContact O-N 2.91Å; R219-Q222 VanDerWaalsContact O-N 3.12Å; R219-D223 PolarHBondContact O-N 3.04Å
220	R	67.1	Low	63.2	Low	152 Å²	152	117.4 Å²	117.4	57%	0.574	61%	0.606	S	S	*	*	H	α-helix	trans	-58.8	-44.1	174.7	-72.6	176.8	-72	-151.1	3.8	112	G216 E217 Q222 D223 D224	G216-R220 WeakPolarHBondContact O-CG 3.47Å; G216-R220 PolarHBondContact O-N 2.84Å; G216-R220 PolarHBondContact O-NE 3.01Å; E217-R220 VanDerWaalsContact CG-NH2 3.31Å; E217-R220 PolarHBondContact O-N 3.49Å; R220-Q222 VanDerWaalsContact C-N 3.32Å; R220-Q222 PolarHBondContact O-N 2.9Å; R220-D223 PolarHBondContact O-N 3.18Å; R220-D224 PolarHBondContact O-N 3.15Å
221	L	62.8	Low	60.7	Low	115 Å²	115	115.8 Å²	115.8	60%	0.602	61%	0.613	S	S	*	*	H	α-helix	trans	-67	-29.2	176.7	-70	170.1	0	0	0	113.2	E217 M218 R219 T225	E217-L221 WeakPolarHBondContact O-CG 3.36Å; E217-L221 PolarHBondContact O-N 3.27Å; M218-L221 PolarHBondContact O-N 2.91Å; R219-L221 VanDerWaalsContact C-N 3.34Å; R219-L221 PolarHBondContact O-N 3.29Å; L221-T225 VanDerWaalsContact O-CG2 3.31Å; L221-T225 WeakPolarHBondContact O-CG2 3.45Å; L221-T225 PolarHBondContact O-OG1 2.72Å
222	Q	57.3	Low	58.3	Low	118 Å²	118	116.9 Å²	116.9	55%	0.551	62%	0.624	S	S	*	*	H	α-helix	trans	-70.7	-45.6	170.8	-77.4	178.9	2	0	0	111.4	M218 R219 R220 D224 T225	M218-Q222 WeakPolarHBondContact O-CG 3.43Å; M218-Q222 PolarHBondContact O-N 3.47Å; R219-Q222 WeakPolarHBondContact O-CB 3.36Å; R219-Q222 PolarHBondContact O-N 2.91Å; R219-Q222 VanDerWaalsContact O-N 3.12Å; R220-Q222 VanDerWaalsContact C-N 3.32Å; R220-Q222 PolarHBondContact O-N 2.9Å; Q222-D224 VanDerWaalsContact C-N 3.29Å; Q222-D224 PolarHBondContact O-N 2.76Å; Q222-T225 PolarHBondContact O-N 2.91Å; Q222-T225 PolarHBondContact O-OG1 3.13Å
223	D	57.4	Low	55.8	Low	111 Å²	111	117.6 Å²	117.6	59%	0.594	64%	0.641	S	S	*	*	H	α-helix	trans	-57.9	-40	177.1	-65.9	-36.5	0	0	0	111.7	R219 R220 T225	R219-D223 PolarHBondContact O-N 3.04Å; R220-D223 PolarHBondContact O-N 3.18Å; D223-T225 VanDerWaalsContact C-N 3.31Å; D223-T225 PolarHBondContact O-N 2.8Å
224	D	57.3	Low	53.8	Low	131 Å²	131	120.8 Å²	120.8	70%	0.701	66%	0.657	S	S	*	*	H	α-helix	trans	-66.9	-23.6	176.5	-76.4	-29.4	0	0	0	114	R220 Q222 V226	R220-D224 PolarHBondContact O-N 3.15Å; Q222-D224 VanDerWaalsContact C-N 3.29Å; Q222-D224 PolarHBondContact O-N 2.76Å; D224-V226 VanDerWaalsContact C-N 3.34Å; D224-V226 PolarHBondContact O-N 3.45Å
225	T	52.8	Low	52.2	Low	112 Å²	112	120.2 Å²	120.2	69%	0.687	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	3	-174.2	52.2	0	0	0	0	115.9	L221 Q222 D223 F227	L221-T225 VanDerWaalsContact O-CG2 3.31Å; L221-T225 WeakPolarHBondContact O-CG2 3.45Å; L221-T225 PolarHBondContact O-OG1 2.72Å; Q222-T225 PolarHBondContact O-N 2.91Å; Q222-T225 PolarHBondContact O-OG1 3.13Å; D223-T225 VanDerWaalsContact C-N 3.31Å; D223-T225 PolarHBondContact O-N 2.8Å; T225-F227 VanDerWaalsContact C-N 3.35Å; T225-F227 PolarHBondContact O-N 2.97Å
226	V	48.6	Very low	50.1	Low	107 Å²	107	123.4 Å²	123.4	65%	0.648	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-11.3	-169.8	-178.5	0	0	0	0	114.1	D224	D224-V226 VanDerWaalsContact C-N 3.34Å; D224-V226 PolarHBondContact O-N 3.45Å
227	F	41.1	Very low	48	Very low	196 Å²	196	125.6 Å²	125.6	86%	0.86	71%	0.706	S	S	*	*	S	Bend	trans	-111.7	100.9	-178.1	-83	-92.5	0	0	0	115.3	T225	T225-F227 VanDerWaalsContact C-N 3.35Å; T225-F227 PolarHBondContact O-N 2.97Å
228	K	38.3	Very low	46.4	Very low	197 Å²	197	128.4 Å²	128.4	86%	0.857	72%	0.724	S	S	*	*			trans	-8.3	161.9	154.1	-82.6	-178	176.9	178.1	0	120.8
229	P	45.3	Very low	44.9	Very low	123 Å²	123	129.4 Å²	129.4	80%	0.799	73%	0.727	S	S	*	*			cis	-137.2	-172.7	-11.8	36	-14.5	0	0	0	115.1
230	A	30	Very low	43.4	Very low	98 Å²	98	131 Å²	131	81%	0.81	73%	0.733	S	S	*	*			trans	-79.6	157.5	-173.9	0	0	0	0	0	117
231	A	30.1	Very low	42	Very low	85 Å²	85	129.2 Å²	129.2	70%	0.702	74%	0.739	S	S	*	*				170.6	145	115.4	0	0	0	0	0	114.4
232	T	32.3	Very low	41.3	Very low	136 Å²	136	128.5 Å²	128.5	83%	0.834	74%	0.743	S	S	*	*			trans	42.8	128.9	152.6	54.8	0	0	0	0	120.1
233	S	29.5	Very low	41	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	74%	0.744	S	S	*	*				-167.5	176.7	54	53.1	0	0	0	0	113.4
234	S	36.2	Very low	40.9	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	75%	0.747	S	S	*	*			trans	-126.8	150.8	169	-167.5	0	0	0	0	108.1
235	P	45.3	Very low	40.8	Very low	119 Å²	119	125.8 Å²	125.8	77%	0.773	73%	0.734	S	S	*	*				-146.8	150.7	91.9	38.2	-22.1	0	0	0	116.5
236	D	33	Very low	41	Very low	160 Å²	160	126.9 Å²	126.9	86%	0.856	73%	0.732	S	S	*	*			trans	49.8	143.6	140.4	-149.4	8.5	0	0	0	122.2
237	G	29.6	Very low	41.5	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	73%	0.729	S	S	*	*			trans	165.5	111.5	179.9	0	0	0	0	0	113.9
238	L	41.3	Very low	42.5	Very low	162 Å²	162	122.5 Å²	122.5	85%	0.848	72%	0.717	S	S	*	*			trans	-96.4	155.8	-172.6	-176.1	67.6	0	0	0	113.5
239	E	36.7	Very low	43.9	Very low	128 Å²	128	120.3 Å²	120.3	60%	0.598	70%	0.703	S	S	*	*			trans	93.6	127.7	149.8	-116.9	-157.7	139	0	0	121.9
240	R	40.6	Very low	45.1	Very low	200 Å²	200	120.6 Å²	120.6	76%	0.755	69%	0.692	S	S	*	*			trans	68.2	155.1	160.7	-43	-176.5	-169.6	145.4	20.7	116.6
241	V	36.4	Very low	46.9	Very low	114 Å²	114	124.7 Å²	124.7	69%	0.691	69%	0.686	S	S	*	*			cis	-132.7	146.8	7.2	176.3	0	0	0	0	110.2	H243	V241-H243 HydrophobicContact CG1-CB 4.37Å; V241-H243 WeakPolarHBondContact CG1-CD2 3.45Å
242	S	48.7	Very low	48.9	Very low	100 Å²	100	127 Å²	127	70%	0.699	69%	0.686	S	S	*	*			trans	-123.4	112	169	171.8	0	0	0	0	110.6
243	H	50.8	Low	51	Low	121 Å²	121	127.9 Å²	127.9	56%	0.56	68%	0.678	S	S	*	*			trans	-146.7	-14.9	179.7	-79.3	-38.1	0	0	0	119.3	V241	V241-H243 HydrophobicContact CG1-CB 4.37Å; V241-H243 WeakPolarHBondContact CG1-CD2 3.45Å
244	P	56.3	Low	53	Low	103 Å²	103	127.1 Å²	127.1	67%	0.669	66%	0.661	S	S	*	*	H	α-helix	trans	-65.8	-44.8	-179.6	-24.1	34.1	0	0	0	115	T247	P244-T247 PolarHBondContact O-OG1 3.45Å; P244-T247 VanDerWaalsContact O-OG1 3.08Å
245	D	53.6	Low	54.8	Low	80 Å²	80	129.1 Å²	129.1	43%	0.428	66%	0.657	S	S	.	*	H	α-helix	trans	-73.2	-33.4	-171.7	-175.8	24.4	0	0	0	112.6	T247 L248 R249	D245-T247 PolarHBondContact O-N 2.93Å; D245-L248 PolarHBondContact O-N 2.94Å; D245-R249 WeakPolarHBondContact O-CB 3.38Å; D245-R249 VanDerWaalsContact O-CG 3.31Å; D245-R249 WeakPolarHBondContact O-CG 3.43Å; D245-R249 PolarHBondContact O-N 3.02Å; D245-R249 IonicContact OD1-CZ 3.85Å; D245-R249 IonicContact OD1-NE 2.99Å; D245-R249 PolarHBondContact OD1-NE 3.16Å; D245-R249 IonicContact OD1-NH2 3.79Å; D245-R249 IonicContact OD2-CZ 3.13Å; D245-R249 IonicContact OD2-NE 2.87Å; D245-R249 PolarHBondContact OD2-NE 3.09Å; D245-R249 IonicContact OD2-NH2 2.67Å; D245-R249 PolarHBondContact OD2-NH2 3.17Å
246	E	56.7	Low	56.6	Low	135 Å²	135	128.9 Å²	128.9	63%	0.631	65%	0.645	S	S	*	*	H	α-helix	trans	-68.1	-36.9	-176.8	-166.8	169.9	-139.2	0	0	112.9	K250	E246-K250 WeakPolarHBondContact O-CB 3.41Å; E246-K250 PolarHBondContact O-N 3.37Å
247	T	60.8	Low	59.2	Low	97 Å²	97	125.3 Å²	125.3	60%	0.595	63%	0.629	S	S	*	*	H	α-helix	trans	-70	-38.4	175.4	50.5	0	0	0	0	112.2	P244 D245 K250 R251	P244-T247 PolarHBondContact O-OG1 3.45Å; P244-T247 VanDerWaalsContact O-OG1 3.08Å; D245-T247 PolarHBondContact O-N 2.93Å; T247-K250 PolarHBondContact O-N 3.18Å; T247-R251 WeakPolarHBondContact O-CB 3.21Å; T247-R251 PolarHBondContact O-N 2.77Å
248	L	61	Low	61.6	Low	114 Å²	114	126.4 Å²	126.4	60%	0.597	61%	0.614	S	S	*	*	H	α-helix	trans	-63.1	-47.8	172.4	-70.7	173.5	0	0	0	111.4	D245 K250 R251 L252	D245-L248 PolarHBondContact O-N 2.94Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 2.74Å; L248-R251 PolarHBondContact O-N 3.4Å; L248-L252 WeakPolarHBondContact O-CB 3.35Å; L248-L252 PolarHBondContact O-N 2.97Å
249	R	67.8	Low	63.4	Low	150 Å²	150	122.5 Å²	122.5	57%	0.566	60%	0.597	S	S	*	*	H	α-helix	trans	-59.5	-38.4	175.6	-70.9	177.3	-169.8	-137.7	9.1	112.6	D245 K253	D245-R249 WeakPolarHBondContact O-CB 3.38Å; D245-R249 VanDerWaalsContact O-CG 3.31Å; D245-R249 WeakPolarHBondContact O-CG 3.43Å; D245-R249 PolarHBondContact O-N 3.02Å; D245-R249 IonicContact OD1-CZ 3.85Å; D245-R249 IonicContact OD1-NE 2.99Å; D245-R249 PolarHBondContact OD1-NE 3.16Å; D245-R249 IonicContact OD1-NH2 3.79Å; D245-R249 IonicContact OD2-CZ 3.13Å; D245-R249 IonicContact OD2-NE 2.87Å; D245-R249 PolarHBondContact OD2-NE 3.09Å; D245-R249 IonicContact OD2-NH2 2.67Å; D245-R249 PolarHBondContact OD2-NH2 3.17Å; R249-K253 WeakPolarHBondContact O-CG 3.48Å; R249-K253 PolarHBondContact O-N 3.37Å; R249-K253 VanDerWaalsContact O-N 3.1Å
250	K	71.3	Confident	65.6	Low	130 Å²	130	121 Å²	121	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-64.1	-49.5	174.6	-177.7	175.7	172.8	-178.8	0	111.4	E246 T247 L248 L252 K253 E254	E246-K250 WeakPolarHBondContact O-CB 3.41Å; E246-K250 PolarHBondContact O-N 3.37Å; T247-K250 PolarHBondContact O-N 3.18Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 2.74Å; K250-L252 VanDerWaalsContact C-N 3.28Å; K250-L252 PolarHBondContact O-N 3.04Å; K250-K253 WeakPolarHBondContact O-CB 3.35Å; K250-K253 PolarHBondContact O-N 2.66Å; K250-K253 VanDerWaalsContact O-N 3.12Å; K250-E254 WeakPolarHBondContact CE-OE1 3.26Å; K250-E254 IonicContact NZ-OE1 3.96Å; K250-E254 PolarHBondContact O-N 2.96Å
251	R	68.1	Low	67.8	Low	184 Å²	184	118.2 Å²	118.2	69%	0.694	58%	0.579	S	S	*	*	H	α-helix	trans	-63.2	-33.8	-179.6	-148.6	173.9	-166.4	179.4	2.9	112.3	T247 L248 K255	T247-R251 WeakPolarHBondContact O-CB 3.21Å; T247-R251 PolarHBondContact O-N 2.77Å; L248-R251 PolarHBondContact O-N 3.4Å; R251-K255 WeakPolarHBondContact O-CB 3.28Å; R251-K255 WeakPolarHBondContact O-CG 3.33Å; R251-K255 PolarHBondContact O-N 2.78Å
252	L	71.8	Confident	69.9	Low	134 Å²	134	118.5 Å²	118.5	70%	0.702	57%	0.574	S	S	*	*	H	α-helix	trans	-68.8	-40.2	173.8	-151.8	81.1	0	0	0	112.2	L248 K250 K255 H256	L248-L252 WeakPolarHBondContact O-CB 3.35Å; L248-L252 PolarHBondContact O-N 2.97Å; K250-L252 VanDerWaalsContact C-N 3.28Å; K250-L252 PolarHBondContact O-N 3.04Å; L252-K255 PolarHBondContact O-N 2.92Å; L252-H256 PolarHBondContact O-N 2.97Å
253	K	74.8	Confident	71.8	Confident	153 Å²	153	119 Å²	119	67%	0.665	56%	0.564	S	S	*	*	H	α-helix	trans	-65.6	-42.7	174.4	-74.4	172.6	178.9	-178.9	0	112	R249 K250 H256 V257	R249-K253 WeakPolarHBondContact O-CG 3.48Å; R249-K253 PolarHBondContact O-N 3.37Å; R249-K253 VanDerWaalsContact O-N 3.1Å; K250-K253 WeakPolarHBondContact O-CB 3.35Å; K250-K253 PolarHBondContact O-N 2.66Å; K250-K253 VanDerWaalsContact O-N 3.12Å; K253-H256 PolarHBondContact O-N 3.04Å; K253-V257 WeakPolarHBondContact O-CG2 3.34Å; K253-V257 PolarHBondContact O-N 2.78Å
254	E	71.4	Confident	73.7	Confident	106 Å²	106	120.6 Å²	120.6	50%	0.495	57%	0.57	S	S	.	*	H	α-helix	trans	-61.3	-46.9	174.5	-73.3	168.1	173.3	0	0	111.2	K250 H256 V257 E258	K250-E254 WeakPolarHBondContact CE-OE1 3.26Å; K250-E254 IonicContact NZ-OE1 3.96Å; K250-E254 PolarHBondContact O-N 2.96Å; E254-H256 VanDerWaalsContact C-N 3.32Å; E254-H256 PolarHBondContact O-N 3.04Å; E254-V257 PolarHBondContact O-N 3.14Å; E254-E258 PolarHBondContact O-N 3.15Å
255	K	75.8	Confident	75.1	Confident	149 Å²	149	118.1 Å²	118.1	65%	0.648	56%	0.557	S	S	*	*	H	α-helix	trans	-55.7	-42.5	171.3	-81.3	-82.4	-173.3	171.7	0	112.6	R251 L252 E258 V259	R251-K255 WeakPolarHBondContact O-CB 3.28Å; R251-K255 WeakPolarHBondContact O-CG 3.33Å; R251-K255 PolarHBondContact O-N 2.78Å; L252-K255 PolarHBondContact O-N 2.92Å; K255-E258 PolarHBondContact O-N 3.27Å; K255-V259 WeakPolarHBondContact O-CG2 2.86Å; K255-V259 PolarHBondContact O-N 3.43Å
256	H	83.2	Confident	76.7	Confident	114 Å²	114	117.9 Å²	117.9	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-67.1	-41.5	178.7	-166.9	91	0	0	0	112.2	L252 K253 E254 E258 V259 Q260	L252-H256 PolarHBondContact O-N 2.97Å; K253-H256 PolarHBondContact O-N 3.04Å; E254-H256 VanDerWaalsContact C-N 3.32Å; E254-H256 PolarHBondContact O-N 3.04Å; H256-E258 VanDerWaalsContact C-N 3.32Å; H256-E258 PolarHBondContact O-N 3.32Å; H256-V259 PolarHBondContact O-N 3.27Å; H256-Q260 PolarHBondContact NE2-NE2 2.97Å; H256-Q260 VanDerWaalsContact NE2-NE2 3.16Å; H256-Q260 VanDerWaalsContact O-CG 3.28Å; H256-Q260 WeakPolarHBondContact O-CG 3.33Å; H256-Q260 PolarHBondContact O-N 2.93Å
257	V	87.3	Confident	78.2	Confident	85 Å²	85	115.5 Å²	115.5	52%	0.515	55%	0.548	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.5	171.6	0	0	0	0	111.4	K253 E254 Q260 R261	K253-V257 WeakPolarHBondContact O-CG2 3.34Å; K253-V257 PolarHBondContact O-N 2.78Å; E254-V257 PolarHBondContact O-N 3.14Å; V257-Q260 PolarHBondContact O-N 2.84Å; V257-R261 PolarHBondContact O-N 3.47Å
258	E	78.4	Confident	79.7	Confident	95 Å²	95	114.7 Å²	114.7	44%	0.444	55%	0.546	S	S	.	.	H	α-helix	trans	-65.2	-44.1	175.6	-158.5	61.3	-111	0	0	111.9	E254 K255 H256 Q260 R261 M262	E254-E258 PolarHBondContact O-N 3.15Å; K255-E258 PolarHBondContact O-N 3.27Å; H256-E258 VanDerWaalsContact C-N 3.32Å; H256-E258 PolarHBondContact O-N 3.32Å; E258-Q260 VanDerWaalsContact C-N 3.34Å; E258-Q260 PolarHBondContact O-N 3.24Å; E258-R261 PolarHBondContact O-N 2.84Å; E258-R261 IonicContact OE1-CZ 3.7Å; E258-R261 IonicContact OE1-NH1 2.67Å; E258-R261 PolarHBondContact OE1-NH1 3.37Å; E258-R261 IonicContact OE2-CZ 3.88Å; E258-R261 IonicContact OE2-NH1 2.69Å; E258-R261 PolarHBondContact OE2-NH1 2.93Å; E258-M262 WeakPolarHBondContact O-CB 3.47Å; E258-M262 PolarHBondContact O-N 2.86Å
259	V	78.9	Confident	80.9	Confident	81 Å²	81	114.9 Å²	114.9	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-61.7	-40.3	174.7	168.8	0	0	0	0	111.5	K255 H256 M262 K263	K255-V259 WeakPolarHBondContact O-CG2 2.86Å; K255-V259 PolarHBondContact O-N 3.43Å; H256-V259 PolarHBondContact O-N 3.27Å; V259-M262 PolarHBondContact O-N 2.89Å; V259-K263 VanDerWaalsContact O-CB 3.29Å; V259-K263 WeakPolarHBondContact O-CB 3.41Å; V259-K263 PolarHBondContact O-N 3.09Å
260	Q	83.8	Confident	81.9	Confident	96 Å²	96	112.6 Å²	112.6	45%	0.449	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-38.7	175	-67.3	-70.1	-1.9	0	0	112.3	H256 V257 E258 K264	H256-Q260 PolarHBondContact NE2-NE2 2.97Å; H256-Q260 VanDerWaalsContact NE2-NE2 3.16Å; H256-Q260 VanDerWaalsContact O-CG 3.28Å; H256-Q260 WeakPolarHBondContact O-CG 3.33Å; H256-Q260 PolarHBondContact O-N 2.93Å; V257-Q260 PolarHBondContact O-N 2.84Å; E258-Q260 VanDerWaalsContact C-N 3.34Å; E258-Q260 PolarHBondContact O-N 3.24Å; Q260-K264 WeakPolarHBondContact O-CB 3.31Å; Q260-K264 PolarHBondContact O-N 3Å
261	R	87.1	Confident	82.8	Confident	142 Å²	142	108.9 Å²	108.9	54%	0.536	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-45.8	173.4	-173.4	-173.6	-63.3	129.1	0.5	111.1	V257 E258 K264 A265	V257-R261 PolarHBondContact O-N 3.47Å; E258-R261 PolarHBondContact O-N 2.84Å; E258-R261 IonicContact OE1-CZ 3.7Å; E258-R261 IonicContact OE1-NH1 2.67Å; E258-R261 PolarHBondContact OE1-NH1 3.37Å; E258-R261 IonicContact OE2-CZ 3.88Å; E258-R261 IonicContact OE2-NH1 2.69Å; E258-R261 PolarHBondContact OE2-NH1 2.93Å; R261-K264 PolarHBondContact O-N 3.28Å; R261-A265 PolarHBondContact O-N 2.92Å
262	M	80.8	Confident	83.8	Confident	119 Å²	119	102.1 Å²	102.1	59%	0.586	52%	0.521	S	S	*	.	H	α-helix	trans	-68	-39.1	-179.6	-166.4	161.4	64.8	0	0	111.8	E258 V259 K264 A265 V266	E258-M262 WeakPolarHBondContact O-CB 3.47Å; E258-M262 PolarHBondContact O-N 2.86Å; V259-M262 PolarHBondContact O-N 2.89Å; M262-K264 PolarHBondContact O-N 2.9Å; M262-A265 WeakPolarHBondContact O-CB 3.22Å; M262-A265 PolarHBondContact O-N 3.42Å; M262-V266 WeakPolarHBondContact O-CG2 3.34Å; M262-V266 PolarHBondContact O-N 3.28Å
263	K	87.8	Confident	84.4	Confident	111 Å²	111	99.4 Å²	99.4	48%	0.483	51%	0.507	S	S	.	.	H	α-helix	trans	-57.3	-48.7	170.8	-174.5	176.1	-172.6	-75.6	0	111.3	V259 A265 V266 E267	V259-K263 VanDerWaalsContact O-CB 3.29Å; V259-K263 WeakPolarHBondContact O-CB 3.41Å; V259-K263 PolarHBondContact O-N 3.09Å; K263-A265 VanDerWaalsContact C-N 3.3Å; K263-A265 PolarHBondContact O-N 3.37Å; K263-V266 PolarHBondContact O-N 3.47Å; K263-E267 IonicContact NZ-OE1 3.98Å; K263-E267 PolarHBondContact NZ-OE1 2.93Å; K263-E267 WeakPolarHBondContact O-CG 3.45Å; K263-E267 PolarHBondContact O-N 3.01Å
264	K	90.6	Very high	85.1	Confident	155 Å²	155	98 Å²	98	67%	0.674	50%	0.503	S	S	*	.	H	α-helix	trans	-64.4	-32.2	177	-172.6	169.8	-177.8	174.2	0	113.2	Q260 R261 M262 S268	Q260-K264 WeakPolarHBondContact O-CB 3.31Å; Q260-K264 PolarHBondContact O-N 3Å; R261-K264 PolarHBondContact O-N 3.28Å; M262-K264 PolarHBondContact O-N 2.9Å; K264-S268 WeakPolarHBondContact O-CB 3.3Å; K264-S268 PolarHBondContact O-N 2.88Å
265	A	85.9	Confident	85.9	Confident	50 Å²	50	97.4 Å²	97.4	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-68.4	-41.7	173.1	0	0	0	0	0	111.9	R261 M262 K263 S268 L269	R261-A265 PolarHBondContact O-N 2.92Å; M262-A265 WeakPolarHBondContact O-CB 3.22Å; M262-A265 PolarHBondContact O-N 3.42Å; K263-A265 VanDerWaalsContact C-N 3.3Å; K263-A265 PolarHBondContact O-N 3.37Å; A265-S268 PolarHBondContact O-N 3.27Å; A265-L269 WeakPolarHBondContact O-CB 3.44Å; A265-L269 WeakPolarHBondContact O-CG 3.44Å; A265-L269 PolarHBondContact O-N 3.49Å
266	V	87.6	Confident	86.5	Confident	75 Å²	75	95.8 Å²	95.8	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-44.9	174.2	172.5	0	0	0	0	111.3	M262 K263 S268 L269 M270	M262-V266 WeakPolarHBondContact O-CG2 3.34Å; M262-V266 PolarHBondContact O-N 3.28Å; K263-V266 PolarHBondContact O-N 3.47Å; V266-S268 VanDerWaalsContact C-N 3.32Å; V266-S268 PolarHBondContact O-N 3.25Å; V266-L269 PolarHBondContact O-N 3.49Å; V266-M270 HydrophobicContact CG1-CE 4.33Å; V266-M270 HydrophobicContact CG1-CG 4.48Å; V266-M270 HydrophobicContact CG1-SD 4.42Å; V266-M270 WeakPolarHBondContact O-CG 3.04Å; V266-M270 PolarHBondContact O-N 3.09Å
267	E	88	Confident	86.7	Confident	86 Å²	86	94.1 Å²	94.1	40%	0.402	49%	0.488	S	S	.	.	H	α-helix	trans	-56.8	-44	173.9	-72.1	165.9	174.4	0	0	111.9	K263 L269 M270 A271	K263-E267 IonicContact NZ-OE1 3.98Å; K263-E267 PolarHBondContact NZ-OE1 2.93Å; K263-E267 WeakPolarHBondContact O-CG 3.45Å; K263-E267 PolarHBondContact O-N 3.01Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.37Å; E267-M270 HydrophobicContact CG-CE 4.41Å; E267-M270 PolarHBondContact O-N 3.5Å; E267-A271 PolarHBondContact O-N 3.15Å; E267-A271 VanDerWaalsContact O-N 3.14Å
268	S	91.5	Very high	87.1	Confident	80 Å²	80	96.9 Å²	96.9	56%	0.559	49%	0.489	S	S	*	.	H	α-helix	trans	-69.2	-26.3	175.8	-169.5	0	0	0	0	113.7	K264 A265 V266 A272	K264-S268 WeakPolarHBondContact O-CB 3.3Å; K264-S268 PolarHBondContact O-N 2.88Å; A265-S268 PolarHBondContact O-N 3.27Å; V266-S268 VanDerWaalsContact C-N 3.32Å; V266-S268 PolarHBondContact O-N 3.25Å; S268-A272 WeakPolarHBondContact O-CB 3.23Å; S268-A272 PolarHBondContact O-N 2.7Å
269	L	87.1	Confident	87.6	Confident	118 Å²	118	98 Å²	98	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-78	-38.6	174.9	-78.6	168.1	0	0	0	112	A265 V266 E267 A272 N273	A265-L269 WeakPolarHBondContact O-CB 3.44Å; A265-L269 WeakPolarHBondContact O-CG 3.44Å; A265-L269 PolarHBondContact O-N 3.49Å; V266-L269 PolarHBondContact O-N 3.49Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.37Å; L269-A272 CarbonylContact O-C 3.21Å; L269-A272 PolarHBondContact O-N 2.58Å; L269-N273 PolarHBondContact O-N 3.21Å
270	M	88.3	Confident	88.1	Confident	101 Å²	101	98.2 Å²	98.2	50%	0.498	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-50.7	174.2	-67.7	-172.9	-58	0	0	110.9	V266 E267 A272 N273 E274	V266-M270 HydrophobicContact CG1-CE 4.33Å; V266-M270 HydrophobicContact CG1-CG 4.48Å; V266-M270 HydrophobicContact CG1-SD 4.42Å; V266-M270 WeakPolarHBondContact O-CG 3.04Å; V266-M270 PolarHBondContact O-N 3.09Å; E267-M270 HydrophobicContact CG-CE 4.41Å; E267-M270 PolarHBondContact O-N 3.5Å; M270-A272 VanDerWaalsContact C-N 3.25Å; M270-A272 PolarHBondContact O-N 2.97Å; M270-N273 WeakPolarHBondContact O-CA 3.29Å; M270-N273 WeakPolarHBondContact O-CB 3.26Å; M270-N273 PolarHBondContact O-N 3.17Å; M270-E274 WeakPolarHBondContact O-CG 3.41Å; M270-E274 PolarHBondContact O-N 3.35Å
271	A	89.9	Confident	88.4	Confident	53 Å²	53	97.7 Å²	97.7	44%	0.438	49%	0.488	S	S	.	.	H	α-helix	trans	-59.4	-35.2	175.2	0	0	0	0	0	112.9	E267 N273 E275	E267-A271 PolarHBondContact O-N 3.15Å; E267-A271 VanDerWaalsContact O-N 3.14Å; A271-N273 VanDerWaalsContact C-N 3.28Å; A271-N273 PolarHBondContact O-N 2.9Å; A271-E275 PolarHBondContact O-N 2.83Å; A271-E275 VanDerWaalsContact O-N 3.15Å
272	A	89.1	Confident	88.5	Confident	42 Å²	42	96.4 Å²	96.4	35%	0.347	49%	0.488	S	S	.	.	H	α-helix	trans	-77.5	-8.6	174.2	0	0	0	0	0	114.1	S268 L269 M270 K276	S268-A272 WeakPolarHBondContact O-CB 3.23Å; S268-A272 PolarHBondContact O-N 2.7Å; L269-A272 CarbonylContact O-C 3.21Å; L269-A272 PolarHBondContact O-N 2.58Å; M270-A272 VanDerWaalsContact C-N 3.25Å; M270-A272 PolarHBondContact O-N 2.97Å; A272-K276 WeakPolarHBondContact O-CD 3.39Å; A272-K276 WeakPolarHBondContact O-CE 3.46Å; A272-K276 WeakPolarHBondContact O-CG 3.4Å; A272-K276 PolarHBondContact O-NZ 2.84Å
273	N	84.6	Confident	88.8	Confident	76 Å²	76	96 Å²	96	41%	0.406	49%	0.487	S	S	.	.	H	α-helix	trans	-91.1	-47.7	168.3	-143.2	79	0	0	0	110.3	L269 M270 A271 E275 K276 D277	L269-N273 PolarHBondContact O-N 3.21Å; M270-N273 WeakPolarHBondContact O-CA 3.29Å; M270-N273 WeakPolarHBondContact O-CB 3.26Å; M270-N273 PolarHBondContact O-N 3.17Å; A271-N273 VanDerWaalsContact C-N 3.28Å; A271-N273 PolarHBondContact O-N 2.9Å; N273-E275 PolarHBondContact O-N 2.91Å; N273-E275 VanDerWaalsContact O-N 3.16Å; N273-K276 CarbonylContact O-C 3.6Å; N273-K276 WeakPolarHBondContact O-CA 3.22Å; N273-K276 WeakPolarHBondContact O-CB 3.31Å; N273-K276 PolarHBondContact O-N 3.06Å; N273-D277 PolarHBondContact ND2-OD1 3.31Å; N273-D277 PolarHBondContact ND2-OD2 3.07Å; N273-D277 VanDerWaalsContact O-CG 3.26Å; N273-D277 PolarHBondContact O-N 2.99Å; N273-D277 VanDerWaalsContact O-OD2 3.07Å
274	E	90.9	Very high	88.8	Confident	124 Å²	124	96 Å²	96	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-51.8	-39.1	174	-68.2	164.2	-163.9	0	0	112.8	M270 D277 R278	M270-E274 WeakPolarHBondContact O-CG 3.41Å; M270-E274 PolarHBondContact O-N 3.35Å; E274-D277 PolarHBondContact O-N 3.33Å; E274-R278 VanDerWaalsContact O-CB 3.29Å; E274-R278 WeakPolarHBondContact O-CB 3.5Å; E274-R278 PolarHBondContact O-N 3.01Å
275	E	88.3	Confident	88.7	Confident	94 Å²	94	94 Å²	94	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-39.5	172.4	-177.5	66.2	-125.9	0	0	112.8	A271 N273 R278 K279	A271-E275 PolarHBondContact O-N 2.83Å; A271-E275 VanDerWaalsContact O-N 3.15Å; N273-E275 PolarHBondContact O-N 2.91Å; N273-E275 VanDerWaalsContact O-N 3.16Å; E275-R278 VanDerWaalsContact CD-NH2 3.34Å; E275-R278 IonicContact OE1-CZ 2.74Å; E275-R278 IonicContact OE1-NH1 2.63Å; E275-R278 PolarHBondContact OE1-NH1 2.93Å; E275-R278 IonicContact OE1-NH2 3.38Å; E275-R278 IonicContact OE2-CZ 3.15Å; E275-R278 IonicContact OE2-NH1 2.64Å; E275-R278 PolarHBondContact OE2-NH1 3.42Å; E275-R278 VanDerWaalsContact OE2-NH1 3.14Å; E275-R278 IonicContact OE2-NH2 2.88Å; E275-R278 PolarHBondContact OE2-NH2 2.91Å; E275-K279 WeakPolarHBondContact O-CB 3.49Å; E275-K279 PolarHBondContact O-N 2.79Å; E275-K279 VanDerWaalsContact O-N 3.12Å
276	K	87.6	Confident	88.9	Confident	115 Å²	115	93.6 Å²	93.6	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-71.5	-41.2	176	-64.1	166.9	-165.7	152	0	111.2	A272 N273 K279 I280	A272-K276 WeakPolarHBondContact O-CD 3.39Å; A272-K276 WeakPolarHBondContact O-CE 3.46Å; A272-K276 WeakPolarHBondContact O-CG 3.4Å; A272-K276 PolarHBondContact O-NZ 2.84Å; N273-K276 CarbonylContact O-C 3.6Å; N273-K276 WeakPolarHBondContact O-CA 3.22Å; N273-K276 WeakPolarHBondContact O-CB 3.31Å; N273-K276 PolarHBondContact O-N 3.06Å; K276-K279 CarbonylContact O-C 3.49Å; K276-K279 WeakPolarHBondContact O-CA 3.4Å; K276-K279 WeakPolarHBondContact O-CB 3.38Å; K276-K279 PolarHBondContact O-N 2.73Å; K276-K279 VanDerWaalsContact O-N 3.08Å; K276-I280 WeakPolarHBondContact O-CB 3.44Å; K276-I280 VanDerWaalsContact O-CG1 3.31Å; K276-I280 WeakPolarHBondContact O-CG1 3.33Å; K276-I280 PolarHBondContact O-N 3.26Å
277	D	88.4	Confident	88.9	Confident	78 Å²	78	96.1 Å²	96.1	42%	0.417	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-43.3	-178.3	-60.9	-37	0	0	0	110.3	N273 E274 K279 I280 E281	N273-D277 PolarHBondContact ND2-OD1 3.31Å; N273-D277 PolarHBondContact ND2-OD2 3.07Å; N273-D277 VanDerWaalsContact O-CG 3.26Å; N273-D277 PolarHBondContact O-N 2.99Å; N273-D277 VanDerWaalsContact O-OD2 3.07Å; E274-D277 PolarHBondContact O-N 3.33Å; D277-K279 VanDerWaalsContact C-N 3.29Å; D277-K279 PolarHBondContact O-N 3.24Å; D277-I280 WeakPolarHBondContact O-CB 3.45Å; D277-I280 PolarHBondContact O-N 2.89Å; D277-E281 PolarHBondContact O-N 2.99Å
278	R	93.8	Very high	89	Confident	143 Å²	143	98.1 Å²	98.1	54%	0.54	50%	0.498	S	S	.	.	H	α-helix	trans	-57.5	-39.5	168.1	170.2	158.7	41.8	74.8	1.1	112.5	E274 E275 E281 E282	E274-R278 VanDerWaalsContact O-CB 3.29Å; E274-R278 WeakPolarHBondContact O-CB 3.5Å; E274-R278 PolarHBondContact O-N 3.01Å; E275-R278 VanDerWaalsContact CD-NH2 3.34Å; E275-R278 IonicContact OE1-CZ 2.74Å; E275-R278 IonicContact OE1-NH1 2.63Å; E275-R278 PolarHBondContact OE1-NH1 2.93Å; E275-R278 IonicContact OE1-NH2 3.38Å; E275-R278 IonicContact OE2-CZ 3.15Å; E275-R278 IonicContact OE2-NH1 2.64Å; E275-R278 PolarHBondContact OE2-NH1 3.42Å; E275-R278 VanDerWaalsContact OE2-NH1 3.14Å; E275-R278 IonicContact OE2-NH2 2.88Å; E275-R278 PolarHBondContact OE2-NH2 2.91Å; R278-E281 PolarHBondContact O-N 3.36Å; R278-E282 PolarHBondContact O-N 2.86Å
279	K	89.4	Confident	88.9	Confident	119 Å²	119	101.3 Å²	101.3	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-74.2	-32.4	178.6	-166.3	160.3	-165.2	152.9	0	113.5	E275 K276 D277 E281 L283	E275-K279 WeakPolarHBondContact O-CB 3.49Å; E275-K279 PolarHBondContact O-N 2.79Å; E275-K279 VanDerWaalsContact O-N 3.12Å; K276-K279 CarbonylContact O-C 3.49Å; K276-K279 WeakPolarHBondContact O-CA 3.4Å; K276-K279 WeakPolarHBondContact O-CB 3.38Å; K276-K279 PolarHBondContact O-N 2.73Å; K276-K279 VanDerWaalsContact O-N 3.08Å; D277-K279 VanDerWaalsContact C-N 3.29Å; D277-K279 PolarHBondContact O-N 3.24Å; K279-E281 VanDerWaalsContact C-N 3.31Å; K279-L283 WeakPolarHBondContact O-CB 3.3Å; K279-L283 VanDerWaalsContact O-CG 3.25Å; K279-L283 WeakPolarHBondContact O-CG 3.43Å; K279-L283 PolarHBondContact O-N 3.31Å
280	I	89.7	Confident	88.7	Confident	85 Å²	85	103.7 Å²	103.7	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-43.4	169.5	-75.2	163.2	0	0	0	109.1	K276 D277 L283 K284	K276-I280 WeakPolarHBondContact O-CB 3.44Å; K276-I280 VanDerWaalsContact O-CG1 3.31Å; K276-I280 WeakPolarHBondContact O-CG1 3.33Å; K276-I280 PolarHBondContact O-N 3.26Å; D277-I280 WeakPolarHBondContact O-CB 3.45Å; D277-I280 PolarHBondContact O-N 2.89Å; I280-L283 PolarHBondContact O-N 2.94Å; I280-K284 WeakPolarHBondContact O-CG 3.31Å; I280-K284 PolarHBondContact O-N 2.68Å
281	E	89.1	Confident	88.7	Confident	86 Å²	86	104.7 Å²	104.7	40%	0.402	50%	0.501	S	S	.	.	H	α-helix	trans	-69.8	-38.5	178.8	-151.1	56.5	-130.6	0	0	112.9	D277 R278 K279 L283 K284 Q285	D277-E281 PolarHBondContact O-N 2.99Å; R278-E281 PolarHBondContact O-N 3.36Å; K279-E281 VanDerWaalsContact C-N 3.31Å; E281-L283 VanDerWaalsContact C-N 3.3Å; E281-L283 PolarHBondContact O-N 2.84Å; E281-K284 PolarHBondContact O-N 2.74Å; E281-K284 WeakPolarHBondContact OE1-CD 3.48Å; E281-K284 IonicContact OE1-NZ 3.28Å; E281-K284 WeakPolarHBondContact OE2-CD 3.07Å; E281-K284 WeakPolarHBondContact OE2-CE 3.49Å; E281-K284 IonicContact OE2-NZ 3.56Å; E281-K284 PolarHBondContact OE2-NZ 3.43Å; E281-Q285 WeakPolarHBondContact O-CG 3.2Å; E281-Q285 PolarHBondContact O-N 3.11Å
282	E	90.1	Very high	88.6	Confident	114 Å²	114	110 Å²	110	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-59.7	-40.2	170.2	-174.2	-177	-161.5	0	0	111.9	R278 S286	R278-E282 PolarHBondContact O-N 2.86Å; E282-S286 VanDerWaalsContact O-CB 3.31Å; E282-S286 WeakPolarHBondContact O-CB 3.33Å; E282-S286 PolarHBondContact O-N 3.17Å; E282-S286 PolarHBondContact O-OG 3.28Å
283	L	87.3	Confident	88.5	Confident	111 Å²	111	111.6 Å²	111.6	58%	0.581	52%	0.52	S	S	*	.	H	α-helix	trans	-68.7	-41.7	175.3	-73.8	169.2	0	0	0	112	K279 I280 E281 S286 L287	K279-L283 WeakPolarHBondContact O-CB 3.3Å; K279-L283 VanDerWaalsContact O-CG 3.25Å; K279-L283 WeakPolarHBondContact O-CG 3.43Å; K279-L283 PolarHBondContact O-N 3.31Å; I280-L283 PolarHBondContact O-N 2.94Å; E281-L283 VanDerWaalsContact C-N 3.3Å; E281-L283 PolarHBondContact O-N 2.84Å; L283-S286 PolarHBondContact O-N 3.01Å; L283-L287 WeakPolarHBondContact O-CB 3.47Å; L283-L287 PolarHBondContact O-N 2.98Å
284	K	86.9	Confident	88.3	Confident	110 Å²	110	112.8 Å²	112.8	48%	0.478	52%	0.523	S	S	.	.	H	α-helix	trans	-59.3	-48.2	173	-72.5	177.3	-163.2	160.4	0	111.4	I280 E281 S286 L287 L288	I280-K284 WeakPolarHBondContact O-CG 3.31Å; I280-K284 PolarHBondContact O-N 2.68Å; E281-K284 PolarHBondContact O-N 2.74Å; E281-K284 WeakPolarHBondContact OE1-CD 3.48Å; E281-K284 IonicContact OE1-NZ 3.28Å; E281-K284 WeakPolarHBondContact OE2-CD 3.07Å; E281-K284 WeakPolarHBondContact OE2-CE 3.49Å; E281-K284 IonicContact OE2-NZ 3.56Å; E281-K284 PolarHBondContact OE2-NZ 3.43Å; K284-S286 VanDerWaalsContact C-N 3.26Å; K284-S286 PolarHBondContact O-N 2.85Å; K284-L287 PolarHBondContact O-N 3.1Å; K284-L288 WeakPolarHBondContact O-CB 3.39Å; K284-L288 PolarHBondContact O-N 2.76Å
285	Q	89.9	Confident	87.9	Confident	114 Å²	114	110.8 Å²	110.8	53%	0.533	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-35.1	175.8	-72	-170.8	18.2	0	0	112.2	E281 R289	E281-Q285 WeakPolarHBondContact O-CG 3.2Å; E281-Q285 PolarHBondContact O-N 3.11Å; Q285-R289 WeakPolarHBondContact O-CB 3.46Å; Q285-R289 VanDerWaalsContact O-CG 3.28Å; Q285-R289 WeakPolarHBondContact O-CG 2.92Å; Q285-R289 PolarHBondContact O-N 3.38Å; Q285-R289 PolarHBondContact O-NE 2.89Å
286	S	88.5	Confident	87.5	Confident	42 Å²	42	111.9 Å²	111.9	29%	0.294	52%	0.522	S	S	.	.	H	α-helix	trans	-72.4	-38.3	177.5	-58.1	0	0	0	0	112.4	E282 L283 K284 R289 Y290	E282-S286 VanDerWaalsContact O-CB 3.31Å; E282-S286 WeakPolarHBondContact O-CB 3.33Å; E282-S286 PolarHBondContact O-N 3.17Å; E282-S286 PolarHBondContact O-OG 3.28Å; L283-S286 PolarHBondContact O-N 3.01Å; K284-S286 VanDerWaalsContact C-N 3.26Å; K284-S286 PolarHBondContact O-N 2.85Å; S286-R289 PolarHBondContact O-N 3.24Å; S286-R289 PolarHBondContact OG-NH2 3.12Å; S286-Y290 WeakPolarHBondContact O-CB 3.3Å; S286-Y290 PolarHBondContact O-N 2.86Å
287	L	88.1	Confident	87	Confident	128 Å²	128	109.8 Å²	109.8	67%	0.67	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-43.3	171.1	-169.2	76.8	0	0	0	111.4	L283 K284 Y290 K291	L283-L287 WeakPolarHBondContact O-CB 3.47Å; L283-L287 PolarHBondContact O-N 2.98Å; K284-L287 PolarHBondContact O-N 3.1Å; L287-Y290 PolarHBondContact O-N 2.94Å; L287-K291 PolarHBondContact O-N 2.98Å
288	L	90	Very high	86.3	Confident	127 Å²	127	111.4 Å²	111.4	67%	0.665	53%	0.526	S	S	*	.	H	α-helix	trans	-63.9	-40.8	177.2	-165.5	74.9	0	0	0	111.7	K284 K292	K284-L288 WeakPolarHBondContact O-CB 3.39Å; K284-L288 PolarHBondContact O-N 2.76Å; L288-K292 WeakPolarHBondContact O-CB 3.42Å; L288-K292 PolarHBondContact O-N 2.77Å
289	R	89.3	Confident	85.2	Confident	148 Å²	148	108.4 Å²	108.4	56%	0.558	53%	0.526	S	S	*	.	H	α-helix	trans	-62.3	-43.4	171.5	-75.8	-179.6	-67.3	-169.7	3.8	111.7	Q285 S286 K292 V293	Q285-R289 WeakPolarHBondContact O-CB 3.46Å; Q285-R289 VanDerWaalsContact O-CG 3.28Å; Q285-R289 WeakPolarHBondContact O-CG 2.92Å; Q285-R289 PolarHBondContact O-N 3.38Å; Q285-R289 PolarHBondContact O-NE 2.89Å; S286-R289 PolarHBondContact O-N 3.24Å; S286-R289 PolarHBondContact OG-NH2 3.12Å; R289-K292 PolarHBondContact O-N 2.96Å; R289-V293 WeakPolarHBondContact O-CG2 3.41Å; R289-V293 PolarHBondContact O-N 3.19Å
290	Y	83.9	Confident	84.1	Confident	167 Å²	167	107.6 Å²	107.6	66%	0.655	53%	0.532	S	S	*	.	H	α-helix	trans	-62.6	-46.7	177.3	-167.4	-88.3	0	0	0	111.7	S286 L287 K292 V293 Q294	S286-Y290 WeakPolarHBondContact O-CB 3.3Å; S286-Y290 PolarHBondContact O-N 2.86Å; L287-Y290 PolarHBondContact O-N 2.94Å; Y290-K292 PolarHBondContact O-N 3.01Å; Y290-V293 PolarHBondContact O-N 3.49Å; Y290-V293 VanDerWaalsContact O-N 3.13Å; Y290-Q294 PolarHBondContact O-N 3.19Å
291	K	87.6	Confident	82.5	Confident	123 Å²	123	110.3 Å²	110.3	54%	0.535	54%	0.542	S	S	.	.	H	α-helix	trans	-59	-46.1	175.7	-171.8	176.6	179	179.7	0	111.7	L287 V293 Q294 D295	L287-K291 PolarHBondContact O-N 2.98Å; K291-V293 VanDerWaalsContact C-N 3.25Å; K291-V293 PolarHBondContact O-N 2.63Å; K291-Q294 WeakPolarHBondContact O-CA 3.31Å; K291-Q294 WeakPolarHBondContact O-CB 3.42Å; K291-Q294 PolarHBondContact O-N 3.41Å; K291-D295 PolarHBondContact O-N 2.97Å
292	K	87.9	Confident	80.6	Confident	163 Å²	163	109.4 Å²	109.4	71%	0.709	56%	0.556	S	S	*	*	H	α-helix	trans	-60.6	-32.4	176.2	-173.7	171	-178.6	173.9	0	113.2	L288 R289 Y290 M296	L288-K292 WeakPolarHBondContact O-CB 3.42Å; L288-K292 PolarHBondContact O-N 2.77Å; R289-K292 PolarHBondContact O-N 2.96Å; Y290-K292 PolarHBondContact O-N 3.01Å; K292-M296 VanDerWaalsContact O-CB 3.31Å; K292-M296 WeakPolarHBondContact O-CB 3.48Å; K292-M296 PolarHBondContact O-N 3.13Å
293	V	87.7	Confident	78.3	Confident	77 Å²	77	112.9 Å²	112.9	47%	0.467	57%	0.57	S	S	.	*	H	α-helix	trans	-72.7	-41.5	172.6	171.2	0	0	0	0	111.2	R289 Y290 K291 M296 V297	R289-V293 WeakPolarHBondContact O-CG2 3.41Å; R289-V293 PolarHBondContact O-N 3.19Å; Y290-V293 PolarHBondContact O-N 3.49Å; Y290-V293 VanDerWaalsContact O-N 3.13Å; K291-V293 VanDerWaalsContact C-N 3.25Å; K291-V293 PolarHBondContact O-N 2.63Å; V293-M296 PolarHBondContact O-N 2.86Å; V293-V297 HydrophobicContact CG1-CG2 4.43Å; V293-V297 WeakPolarHBondContact O-CG2 3.35Å; V293-V297 PolarHBondContact O-N 3.26Å
294	Q	80.1	Confident	76.2	Confident	100 Å²	100	116.6 Å²	116.6	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-60.4	-49.2	175.2	-179.5	177.3	-2.4	0	0	111.8	Y290 K291 M296 V297 M298	Y290-Q294 PolarHBondContact O-N 3.19Å; K291-Q294 WeakPolarHBondContact O-CA 3.31Å; K291-Q294 WeakPolarHBondContact O-CB 3.42Å; K291-Q294 PolarHBondContact O-N 3.41Å; Q294-M296 VanDerWaalsContact C-N 3.28Å; Q294-M296 PolarHBondContact O-N 3.36Å; Q294-V297 PolarHBondContact O-N 3.23Å; Q294-M298 HydrophobicContact CG-SD 4.02Å; Q294-M298 WeakPolarHBondContact O-CG 3.43Å; Q294-M298 PolarHBondContact O-N 3.29Å
295	D	82.1	Confident	73.7	Confident	82 Å²	82	120.6 Å²	120.6	44%	0.439	60%	0.602	S	S	.	*	H	α-helix	trans	-59.1	-39.8	177.4	-61.1	-27.5	0	0	0	111.1	K291 S299	K291-D295 PolarHBondContact O-N 2.97Å; D295-S299 VanDerWaalsContact O-CB 3.31Å; D295-S299 WeakPolarHBondContact O-CB 3.37Å; D295-S299 PolarHBondContact O-N 3Å
296	M	80.6	Confident	71.2	Confident	117 Å²	117	124.8 Å²	124.8	58%	0.576	62%	0.618	S	S	*	*	H	α-helix	trans	-67.9	-40.7	176	-176.6	174	65.4	0	0	112.7	K292 V293 Q294 S299 V300	K292-M296 VanDerWaalsContact O-CB 3.31Å; K292-M296 WeakPolarHBondContact O-CB 3.48Å; K292-M296 PolarHBondContact O-N 3.13Å; V293-M296 PolarHBondContact O-N 2.86Å; Q294-M296 VanDerWaalsContact C-N 3.28Å; Q294-M296 PolarHBondContact O-N 3.36Å; M296-S299 PolarHBondContact O-N 3.18Å; M296-V300 WeakPolarHBondContact O-CG2 3.35Å; M296-V300 PolarHBondContact O-N 3.09Å
297	V	77.3	Confident	68.3	Low	72 Å²	72	129.3 Å²	129.3	44%	0.436	64%	0.644	S	S	.	*	H	α-helix	trans	-64.3	-45.9	175.6	166.1	0	0	0	0	110.8	V293 Q294 S299 V300 Q301	V293-V297 HydrophobicContact CG1-CG2 4.43Å; V293-V297 WeakPolarHBondContact O-CG2 3.35Å; V293-V297 PolarHBondContact O-N 3.26Å; Q294-V297 PolarHBondContact O-N 3.23Å; V297-S299 VanDerWaalsContact C-N 3.33Å; V297-S299 PolarHBondContact O-N 3.19Å; V297-V300 PolarHBondContact O-N 2.9Å; V297-Q301 PolarHBondContact O-N 3.28Å
298	M	72.9	Confident	65.6	Low	112 Å²	112	131.1 Å²	131.1	55%	0.552	65%	0.647	S	S	*	*	H	α-helix	trans	-60.9	-40.9	174.9	-71.1	172.1	58.6	0	0	111.9	Q294 V300 Q301 G302	Q294-M298 HydrophobicContact CG-SD 4.02Å; Q294-M298 WeakPolarHBondContact O-CG 3.43Å; Q294-M298 PolarHBondContact O-N 3.29Å; M298-V300 VanDerWaalsContact C-N 3.33Å; M298-V300 PolarHBondContact O-N 2.97Å; M298-Q301 PolarHBondContact O-N 3.2Å; M298-G302 PolarHBondContact O-N 3.4Å
299	S	70.8	Confident	62.7	Low	79 Å²	79	130.8 Å²	130.8	55%	0.552	65%	0.645	S	S	*	*	H	α-helix	trans	-65	-33.1	176.4	-169	0	0	0	0	113.4	D295 M296 V297	D295-S299 VanDerWaalsContact O-CB 3.31Å; D295-S299 WeakPolarHBondContact O-CB 3.37Å; D295-S299 PolarHBondContact O-N 3Å; M296-S299 PolarHBondContact O-N 3.18Å; V297-S299 VanDerWaalsContact C-N 3.33Å; V297-S299 PolarHBondContact O-N 3.19Å
300	V	66.5	Low	59.7	Low	103 Å²	103	130.4 Å²	130.4	62%	0.624	66%	0.66	S	S	*	*	H	α-helix	trans	-73.8	-38.4	174.4	168.7	0	0	0	0	111.6	M296 V297 M298	M296-V300 WeakPolarHBondContact O-CG2 3.35Å; M296-V300 PolarHBondContact O-N 3.09Å; V297-V300 PolarHBondContact O-N 2.9Å; M298-V300 VanDerWaalsContact C-N 3.33Å; M298-V300 PolarHBondContact O-N 2.97Å
301	Q	55.6	Low	57	Low	141 Å²	141	130.4 Å²	130.4	66%	0.659	67%	0.666	S	S	*	*	H	α-helix	trans	-69.6	-36.4	177.1	-74.5	170.7	-57.4	0	0	112.1	V297 M298 K303	V297-Q301 PolarHBondContact O-N 3.28Å; M298-Q301 PolarHBondContact O-N 3.2Å; Q301-K303 PolarHBondContact O-N 2.89Å
302	G	49.2	Very low	54.2	Low	68 Å²	68	132.7 Å²	132.7	70%	0.701	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	9.3	175.7	0	0	0	0	0	116.6	M298	M298-G302 PolarHBondContact O-N 3.4Å
303	K	41.6	Very low	51.3	Low	187 Å²	187	132 Å²	132	81%	0.813	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	14.4	-178.1	-85.2	-169.9	173.7	-178.9	0	115.6	Q301	Q301-K303 PolarHBondContact O-N 2.89Å
304	K	43.2	Very low	48.4	Very low	188 Å²	188	136.9 Å²	136.9	82%	0.817	70%	0.699	S	S	*	*	S	Bend	trans	-129.5	41.2	-177.2	-150.2	-158.2	173.9	-169.4	0	115.9
305	E	35.6	Very low	45.8	Very low	195 Å²	195	137.6 Å²	137.6	91%	0.911	72%	0.715	S	S	*	*			trans	-143.5	79.8	174	-154.4	153.8	-116.9	0	0	113
306	K	36.6	Very low	43.7	Very low	201 Å²	201	139.4 Å²	139.4	87%	0.874	73%	0.731	S	S	*	*			trans	-155.7	54.1	163.3	-155.2	174	-176.2	173.3	0	113.9
307	T	27.8	Very low	41.1	Very low	137 Å²	137	137 Å²	137	84%	0.84	74%	0.737	S	S	*	*			trans	-156.3	112.8	163	19.2	0	0	0	0	112.7
308	K	31.7	Very low	38.6	Very low	167 Å²	167	142.1 Å²	142.1	73%	0.726	76%	0.762	S	S	*	*			trans	57.9	118.6	148.5	-78.6	-164.4	145.6	-70.3	0	122.1
309	D	28.7	Very low	36.5	Very low	120 Å²	120	140.3 Å²	140.3	64%	0.642	77%	0.772	S	S	*	*				84.7	136.7	123.4	-56.7	-4	0	0	0	122.2
310	T	27.1	Very low	34.6	Very low	140 Å²	140	142.3 Å²	142.3	86%	0.859	79%	0.786	S	S	*	*			trans	84.5	125.3	152.2	-56.2	0	0	0	0	119.1
311	E	27.8	Very low	32.8	Very low	167 Å²	167	142.3 Å²	142.3	78%	0.78	79%	0.789	S	S	*	*			trans	-75.5	155.6	175.1	-48.3	167.6	136	0	0	111.8
312	Q	28.4	Very low	31.5	Very low	170 Å²	170	142.4 Å²	142.4	79%	0.794	79%	0.793	S	S	*	*				178.7	141	103	-96.9	-175.4	7	0	0	114.6
313	L	26.8	Very low	30.5	Very low	149 Å²	149	147 Å²	147	78%	0.78	80%	0.801	S	S	*	*			trans	74.5	149.9	148.8	-122.9	71.2	0	0	0	122.6
314	E	26.4	Very low	30.1	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	80%	0.801	S	S	*	*			trans	79.6	117.3	163.2	-51.4	-149.3	136.8	0	0	121.3
315	S	25.7	Very low	29.5	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	80%	0.803	S	S	*	*			trans	-54.8	176.4	154.7	-137.7	0	0	0	0	112.3
316	P	36.9	Very low	29	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	80%	0.798	S	S	*	*			cis	-138.3	178.7	2.1	42.7	-26.3	0	0	0	115.9
317	G	26.1	Very low	28.7	Very low	68 Å²	68	133 Å²	133	70%	0.701	80%	0.796	S	S	*	*				102.5	140.1	126.8	0	0	0	0	0	119.8
318	D	26.3	Very low	28.7	Very low	179 Å²	179	132.1 Å²	132.1	96%	0.957	80%	0.796	S	S	*	*			trans	54.6	153.3	159	-66.1	-14	0	0	0	120.7
319	G	28.6	Very low	28.4	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	80%	0.798	S	S	*	*			trans	145.1	46.2	162.1	0	0	0	0	0	119.9
320	S	29.4	Very low	28.4	Very low	121 Å²	121	127.5 Å²	127.5	85%	0.846	81%	0.806	S	S	*	*			trans	-54.9	149.5	147.7	-57.6	0	0	0	0	109.4
321	C	28.9	Very low	28.6	Very low	104 Å²	104	127 Å²	127	70%	0.703	80%	0.803	S	S	*	*			cis	-160.8	176.9	7.6	-142.3	0	0	0	0	111
322	L	29.2	Very low	28.6	Very low	142 Å²	142	127.2 Å²	127.2	74%	0.743	80%	0.803	S	S	*	*			trans	-8.2	142.7	147.6	-59.6	169.3	0	0	0	117.6
323	L	28.3	Very low	28.7	Very low	166 Å²	166	124 Å²	124	87%	0.869	80%	0.8	S	S	*	*				-169.2	149.5	90.5	-98.8	175	0	0	0	115.4
324	L	32.3	Very low	28.8	Very low	152 Å²	152	124 Å²	124	80%	0.796	80%	0.796	S	S	*	*			trans	-88.7	175	166.4	-83	163.1	0	0	0	111.3
325	S	32	Very low	28.9	Very low	125 Å²	125	122.9 Å²	122.9	87%	0.874	79%	0.788	S	S	*	*			trans	80.8	155.3	152.6	-55.3	0	0	0	0	118.5
326	G	24.5	Very low	28.9	Very low	78 Å²	78	125.2 Å²	125.2	80%	0.804	79%	0.787	S	S	*	*			trans	146.1	48.7	165.3	0	0	0	0	0	116.6
327	S	29.4	Very low	28.4	Very low	120 Å²	120	125.7 Å²	125.7	84%	0.839	78%	0.783	S	S	*	*			trans	-86.8	132.8	171	-172.4	0	0	0	0	112.2
328	S	28.8	Very low	28.4	Very low	119 Å²	119	131.2 Å²	131.2	83%	0.832	79%	0.788	S	S	*	*			trans	-161	126.8	155.8	-73.7	0	0	0	0	104.4
329	G	24.8	Very low	28.5	Very low	74 Å²	74	128.7 Å²	128.7	76%	0.763	78%	0.779	S	S	*	*				96.1	130.4	61.6	0	0	0	0	0	107.9
330	S	28.8	Very low	28.3	Very low	117 Å²	117	132.2 Å²	132.2	82%	0.818	78%	0.781	S	S	*	*			cis	-164.2	-165.7	6.7	-166.3	0	0	0	0	110.5
331	V	31.6	Very low	28.2	Very low	129 Å²	129	130.6 Å²	130.6	78%	0.782	78%	0.775	S	S	*	*			trans	90.5	152	163.4	-164.9	0	0	0	0	116.9
332	E	27.2	Very low	28	Very low	171 Å²	171	133.2 Å²	133.2	80%	0.799	78%	0.776	S	S	*	*			trans	-124.8	166.6	-145.8	-54.3	138.5	103.3	0	0	114.6
333	S	30.8	Very low	28	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	78%	0.775	S	S	*	*			trans	175.1	128.2	134.6	-78.6	0	0	0	0	108.6
334	E	28.7	Very low	28	Very low	149 Å²	149	132.4 Å²	132.4	70%	0.696	77%	0.768	S	S	*	*				62.8	135.8	75.1	-66.1	-156.5	126.1	0	0	114.1
335	K	29.1	Very low	27.7	Very low	155 Å²	155	133.2 Å²	133.2	67%	0.674	77%	0.768	S	S	*	*			cis	-171	164.8	-13.2	-120.9	172.1	-168.5	160.5	0	108.4
336	Q	26.2	Very low	27.2	Very low	165 Å²	165	133.3 Å²	133.3	77%	0.771	76%	0.763	S	S	*	*			trans	65.9	156.5	162.8	-68.3	176.2	-93.7	0	0	117.2
337	D	24.3	Very low	27.6	Very low	128 Å²	128	138.9 Å²	138.9	68%	0.684	77%	0.765	S	S	*	*			cis	-148.4	177.4	-8.9	-130.5	-45.9	0	0	0	112.6
338	F	26.7	Very low	27.5	Very low	184 Å²	184	142.5 Å²	142.5	81%	0.807	77%	0.766	S	S	*	*			trans	-75.1	146	178.3	-91.2	-108.6	0	0	0	114.9
339	T	28.5	Very low	28.4	Very low	127 Å²	127	141.8 Å²	141.8	78%	0.779	76%	0.758	S	S	*	*				-179.3	136.7	116.7	22.7	0	0	0	0	115.4
340	D	24.9	Very low	28.8	Very low	147 Å²	147	144.8 Å²	144.8	79%	0.786	76%	0.757	S	S	*	*			trans	51.1	126.2	137.5	-62.4	-2.9	0	0	0	126.1
341	A	26.3	Very low	28.9	Very low	87 Å²	87	147 Å²	147	72%	0.719	76%	0.755	S	S	*	*				76.5	96.3	123.7	0	0	0	0	0	123.1
342	E	25.3	Very low	29	Very low	158 Å²	158	147.1 Å²	147.1	74%	0.738	75%	0.75	S	S	*	*				73.1	153.2	112.2	-136.9	-164.3	121	0	0	122.2
343	Q	29.2	Very low	29.3	Very low	153 Å²	153	144.4 Å²	144.4	72%	0.715	74%	0.737	S	S	*	*			trans	76.6	141.9	160.1	-59.3	-154	9.9	0	0	120.2
344	L	29.1	Very low	29.3	Very low	139 Å²	139	148.8 Å²	148.8	73%	0.728	74%	0.738	S	S	*	*			cis	-167.8	-178.4	-30.8	-123.9	174.8	0	0	0	109
345	Q	25.1	Very low	29.3	Very low	169 Å²	169	148.6 Å²	148.6	79%	0.79	74%	0.741	S	S	*	*			trans	76	145.7	170	-46.4	-165.2	13.7	0	0	116.1
346	T	22.9	Very low	29.1	Very low	127 Å²	127	146.6 Å²	146.6	78%	0.779	75%	0.747	S	S	*	*			cis	-141.7	139.8	4.4	-20.5	0	0	0	0	112
347	K	32.3	Very low	29.3	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	75%	0.747	S	S	*	*			trans	-89.9	151.5	157.6	-83.5	-175.4	174.4	-179.6	0	109.8
348	K	26.9	Very low	29.7	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	76%	0.756	S	S	*	*			trans	-151.6	131.8	135.3	-118	-166.8	175.5	-153.9	0	111.9
349	P	48.7	Very low	30.3	Very low	103 Å²	103	141 Å²	141	67%	0.669	76%	0.756	S	S	*	*			trans	-98.5	-175.3	167.6	41.3	-34.5	0	0	0	110.7
350	D	31.5	Very low	30.6	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	76%	0.763	S	S	*	*				-171.2	-180	127.7	-112.8	-43.2	0	0	0	113.3
351	E	31.5	Very low	30.9	Very low	164 Å²	164	144.5 Å²	144.5	77%	0.766	76%	0.764	S	S	*	*			trans	80.5	139.7	165.4	-53.3	-144.2	107.5	0	0	118.6
352	L	34.2	Very low	31.1	Very low	130 Å²	130	144.4 Å²	144.4	68%	0.681	76%	0.758	S	S	*	*			cis	-172.4	164.8	-18.8	-128.6	67.5	0	0	0	105.7
353	E	33.1	Very low	31	Very low	114 Å²	114	141.9 Å²	141.9	53%	0.533	76%	0.758	S	S	.	*			cis	-165.5	173.1	-13.5	-145.4	-165.5	137.5	0	0	109.8
354	R	31.5	Very low	31.4	Very low	196 Å²	196	140.6 Å²	140.6	74%	0.74	76%	0.763	S	S	*	*			trans	66.6	167	154.3	-67.7	167.6	-150.6	-107.9	-12.3	119.8
355	L	28.3	Very low	31	Very low	146 Å²	146	139.2 Å²	139.2	76%	0.764	77%	0.765	S	S	*	*				-169.2	133.5	-56.8	-115.8	174.2	0	0	0	110.8
356	S	25.1	Very low	31.9	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	76%	0.761	S	S	*	*			trans	45	117.4	153.4	60	0	0	0	0	122.2
357	G	29.5	Very low	31.9	Very low	75 Å²	75	135.7 Å²	135.7	77%	0.773	76%	0.761	S	S	*	*			trans	172.8	73.9	162.1	0	0	0	0	0	120.3
358	L	34.1	Very low	32.6	Very low	167 Å²	167	132.1 Å²	132.1	87%	0.874	76%	0.758	S	S	*	*			trans	55.9	120.1	152.7	-54.4	173.6	0	0	0	122.1
359	S	38.7	Very low	32.4	Very low	117 Å²	117	127.4 Å²	127.4	82%	0.818	76%	0.756	S	S	*	*			trans	59.6	133.4	156.1	40.8	0	0	0	0	119.5
360	E	34.4	Very low	31.3	Very low	196 Å²	196	129.9 Å²	129.9	92%	0.916	76%	0.763	S	S	*	*			cis	-146.6	171.5	4.5	-107.8	178	155.1	0	0	112.4
361	D	31.6	Very low	32.4	Very low	152 Å²	152	128.6 Å²	128.6	81%	0.813	76%	0.762	S	S	*	*			trans	-41.2	167.4	-176	-98.5	-15.1	0	0	0	121.9
362	S	30.2	Very low	32.1	Very low	85 Å²	85	127.6 Å²	127.6	59%	0.594	77%	0.767	S	S	*	*			cis	-170.3	149.2	-22.3	-126.3	0	0	0	0	114.1
363	S	22.9	Very low	31.7	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	77%	0.773	S	S	*	*				35.7	155.8	129.3	-48.4	0	0	0	0	124.1
364	P	38.3	Very low	31.2	Very low	126 Å²	126	133.6 Å²	133.6	82%	0.818	79%	0.786	S	S	*	*			cis	-139.6	-163.5	-23.3	40.5	-19.9	0	0	0	114.8
365	S	19.6	Very low	31.1	Very low	110 Å²	110	129 Å²	129	77%	0.769	79%	0.785	S	S	*	*			trans	-106.7	-160.8	172.6	-26.2	0	0	0	0	111.4
366	P	44.5	Very low	30.9	Very low	111 Å²	111	131 Å²	131	72%	0.721	79%	0.79	S	S	*	*			cis	-137.8	-175.7	-30.4	41.4	-24	0	0	0	115.2
367	S	24	Very low	31	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	79%	0.789	S	S	*	*			trans	72.1	-165.8	151.7	-47.8	0	0	0	0	118.4
368	P	46.4	Very low	30.8	Very low	120 Å²	120	134 Å²	134	78%	0.779	79%	0.786	S	S	*	*				-137	-176.1	-113.3	41.5	-19.6	0	0	0	118.3
369	A	22	Very low	30.4	Very low	97 Å²	97	134.3 Å²	134.3	80%	0.802	78%	0.783	S	S	*	*			trans	78	164.6	155.7	0	0	0	0	0	121.1
370	D	25.3	Very low	29.7	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	78%	0.781	S	S	*	*			trans	-69.6	-176.2	179	-62.9	-72.5	0	0	0	114.8
371	P	55.2	Low	29.2	Very low	111 Å²	111	135 Å²	135	72%	0.721	78%	0.782	S	S	*	*			cis	-133.7	159.4	-47.4	34.7	-19.2	0	0	0	113.9
372	V	25.4	Very low	28.9	Very low	142 Å²	142	131.3 Å²	131.3	86%	0.861	78%	0.78	S	S	*	*			trans	-144.1	126.2	170.5	179.4	0	0	0	0	108
373	R	25.6	Very low	28.9	Very low	216 Å²	216	137 Å²	137	82%	0.815	80%	0.797	S	S	*	*			cis	93.9	134	21.5	-155.6	-174.2	-169.8	-169.7	4.8	114.7
374	L	23.6	Very low	28.9	Very low	154 Å²	154	137.6 Å²	137.6	81%	0.806	80%	0.801	S	S	*	*			trans	77.8	129.9	-178.7	-47.5	175.9	0	0	0	113.9
375	S	27.5	Very low	28.4	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	80%	0.799	S	S	*	*			cis	101.7	97.6	11.4	-174.8	0	0	0	0	116.4
376	E	24.4	Very low	29	Very low	187 Å²	187	140.7 Å²	140.7	87%	0.874	80%	0.797	S	S	*	*			trans	-147.4	126	144.4	-99.5	166.4	158.4	0	0	105.4
377	H	27.9	Very low	28.4	Very low	164 Å²	164	144 Å²	144	76%	0.759	80%	0.803	S	S	*	*				54	102.1	70.5	-77.9	47.9	0	0	0	111.7
378	A	24.8	Very low	28.6	Very low	88 Å²	88	146.6 Å²	146.6	73%	0.727	81%	0.807	S	S	*	*				80.4	150.6	86.8	0	0	0	0	0	111.9
379	Q	25.4	Very low	27.8	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	81%	0.805	S	S	*	*			cis	-142.2	155.7	23.7	-63.2	176.1	-46.3	0	0	113.8
380	T	24.3	Very low	28.4	Very low	125 Å²	125	149.9 Å²	149.9	77%	0.767	80%	0.804	S	S	*	*			trans	37.2	125.4	140.6	60.5	0	0	0	0	123.2
381	E	24	Very low	28.8	Very low	203 Å²	203	148.4 Å²	148.4	95%	0.949	80%	0.797	S	S	*	*				-167.1	148.9	127.6	-107.6	174.2	-149.8	0	0	107.4
382	G	25.9	Very low	27.8	Very low	74 Å²	74	150.9 Å²	150.9	76%	0.763	80%	0.804	S	S	*	*			cis	-167.8	145	-11.3	0	0	0	0	0	108.5
383	Q	29.7	Very low	28.1	Very low	205 Å²	205	148 Å²	148	96%	0.958	80%	0.803	S	S	*	*			trans	-80.9	153.4	180	-71.3	-178.7	-14.3	0	0	112.1
384	S	23.8	Very low	28.5	Very low	118 Å²	118	147 Å²	147	83%	0.825	81%	0.808	S	S	*	*			trans	-136.4	137.3	159	66.5	0	0	0	0	110.6
385	N	27.6	Very low	28.8	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	80%	0.799	S	S	*	*			trans	-151.5	135.1	175.5	-139.2	-0.9	0	0	0	109.7
386	Q	31.9	Very low	29	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.724	80%	0.802	S	S	*	*			trans	48.1	115.7	159.2	-70.6	174.8	-26.6	0	0	122.1
387	E	30.8	Very low	29.1	Very low	180 Å²	180	143.3 Å²	143.3	84%	0.841	79%	0.793	S	S	*	*				49.1	153.6	114.8	-60.4	-175.8	115.6	0	0	123
388	L	29.1	Very low	29.1	Very low	166 Å²	166	144.2 Å²	144.2	87%	0.869	80%	0.797	S	S	*	*			trans	-94.5	118.7	-167.5	-88.3	73.8	0	0	0	115.4
389	S	30	Very low	29.2	Very low	104 Å²	104	148 Å²	148	73%	0.727	81%	0.805	S	S	*	*			trans	68.9	142.1	145.2	101.9	0	0	0	0	117.9
390	K	33.4	Very low	29.1	Very low	182 Å²	182	143.7 Å²	143.7	79%	0.791	81%	0.807	S	S	*	*			cis	-164.2	161.7	32.4	-130.2	177.5	-173.6	175.6	0	112.9
391	N	33.4	Very low	29.1	Very low	125 Å²	125	145.6 Å²	145.6	67%	0.668	81%	0.813	S	S	*	*			trans	76.3	96.7	157	-71.8	47.1	0	0	0	122.4
392	D	36.1	Very low	29.1	Very low	162 Å²	162	142 Å²	142	87%	0.866	80%	0.8	S	S	*	*				54.4	129	126.4	-54.3	-40.1	0	0	0	125.4
393	G	30.8	Very low	28.9	Very low	83 Å²	83	145.8 Å²	145.8	86%	0.856	80%	0.798	S	S	*	*			trans	168.1	111	158.7	0	0	0	0	0	117.2
394	Q	33.8	Very low	28.7	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	79%	0.79	S	S	*	*			trans	-73.8	170.3	177.7	-79	-170.4	-55	0	0	114.4
395	V	31	Very low	28.6	Very low	102 Å²	102	142.8 Å²	142.8	62%	0.618	78%	0.783	S	S	*	*			cis	-166.5	156.3	6.1	112.3	0	0	0	0	114
396	Q	30.1	Very low	28.5	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	79%	0.785	S	S	*	*			trans	42.5	127.6	153.2	-64.4	174.8	-55.3	0	0	127.4
397	S	27.9	Very low	28.1	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	78%	0.783	S	S	*	*				77.1	143.4	117.7	74.8	0	0	0	0	127.5
398	E	26.6	Very low	27.9	Very low	183 Å²	183	139.8 Å²	139.8	86%	0.855	79%	0.785	S	S	*	*			trans	97.1	159.8	142.1	-89.8	171.5	-154.1	0	0	122.7
399	D	26.5	Very low	27.8	Very low	167 Å²	167	140 Å²	140	89%	0.893	78%	0.782	S	S	*	*			trans	-74.4	166.3	-152.8	-64.5	-53.9	0	0	0	117.1
400	G	24.2	Very low	27.7	Very low	82 Å²	82	141.1 Å²	141.1	85%	0.845	78%	0.779	S	S	*	*			trans	-166.6	124.2	171.9	0	0	0	0	0	116.4
401	N	25	Very low	27.5	Very low	165 Å²	165	137 Å²	137	88%	0.882	77%	0.773	S	S	*	*			trans	-83.8	168.4	-178.6	-101	-30.2	0	0	0	115.2
402	N	24.1	Very low	27.3	Very low	126 Å²	126	139.7 Å²	139.7	67%	0.674	78%	0.779	S	S	*	*			trans	1	146.2	134.7	-108.4	28.1	0	0	0	120.6
403	E	21.5	Very low	26.9	Very low	154 Å²	154	139.2 Å²	139.2	72%	0.72	77%	0.773	S	S	*	*			trans	81.2	138.4	134.8	-78.8	177.9	115.3	0	0	124.7
404	M	24.7	Very low	26.7	Very low	163 Å²	163	139.3 Å²	139.3	80%	0.803	76%	0.761	S	S	*	*			trans	80.5	146.1	137.6	-165	64.5	83.7	0	0	121.4
405	S	22.6	Very low	26.3	Very low	97 Å²	97	138.6 Å²	138.6	68%	0.678	76%	0.758	S	S	*	*			trans	104.7	129.8	168	-46.7	0	0	0	0	114.6
406	T	24.7	Very low	26.2	Very low	131 Å²	131	142.9 Å²	142.9	80%	0.804	77%	0.768	S	S	*	*			cis	-154	174.9	3.1	-1.7	0	0	0	0	112.3
407	S	22.9	Very low	27.4	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	77%	0.767	S	S	*	*			trans	-31.7	162.4	167.9	53.6	0	0	0	0	117.9
408	E	28.1	Very low	28.3	Very low	187 Å²	187	141 Å²	141	87%	0.874	77%	0.768	S	S	*	*			cis	-148.3	-167.3	44	-69.2	179.8	139	0	0	115
409	E	25.7	Very low	28.4	Very low	172 Å²	172	141.2 Å²	141.2	80%	0.804	77%	0.771	S	S	*	*			trans	-61.8	170.1	178	-53.8	176	81.7	0	0	113.2
410	N	29.1	Very low	28.3	Very low	127 Å²	127	140.2 Å²	140.2	68%	0.679	77%	0.766	S	S	*	*			cis	-169	166.4	35.9	-145.1	-36.6	0	0	0	115
411	S	29.3	Very low	29.3	Very low	94 Å²	94	142.7 Å²	142.7	66%	0.657	77%	0.767	S	S	*	*			trans	35.2	97.8	150.5	65.2	0	0	0	0	124.2
412	K	28.4	Very low	29.3	Very low	183 Å²	183	140.2 Å²	140.2	80%	0.796	76%	0.762	S	S	*	*				61.6	107.6	101.1	-162.2	177.2	-177.1	179.4	0	123.6
413	M	27.8	Very low	29.5	Very low	151 Å²	151	138.4 Å²	138.4	74%	0.744	77%	0.765	S	S	*	*			trans	72.1	147.5	135.9	-66.2	172.9	62.1	0	0	125.2
414	S	26.8	Very low	29.9	Very low	85 Å²	85	137.8 Å²	137.8	59%	0.594	77%	0.772	S	S	*	*			trans	68.7	150.9	146.7	-74.6	0	0	0	0	119.8
415	E	25.7	Very low	30	Very low	179 Å²	179	137.4 Å²	137.4	84%	0.836	77%	0.772	S	S	*	*			cis	-160.9	-168.2	-21.1	-130.5	165.1	124.1	0	0	112.4
416	K	28.1	Very low	30.8	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	78%	0.777	S	S	*	*			trans	-91.8	-175.1	-178.8	-59.9	176.5	179.4	173.1	0	113.3
417	P	56.1	Low	30.8	Very low	118 Å²	118	136.3 Å²	136.3	77%	0.766	77%	0.772	S	S	*	*			cis	-114	-93.4	-36.8	22.8	-0.3	0	0	0	111.8
418	P	46.2	Very low	30.9	Very low	106 Å²	106	136 Å²	136	69%	0.688	77%	0.77	S	S	*	*			cis	-123.8	150.8	-11.4	39.4	-22.7	0	0	0	117.8
419	M	28.1	Very low	30.9	Very low	187 Å²	187	133.4 Å²	133.4	92%	0.921	77%	0.766	S	S	*	*			trans	67.4	150.7	146.3	-79.6	-170.1	163.9	0	0	125.2
420	N	26.3	Very low	31.1	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	76%	0.762	S	S	*	*			trans	-81.8	176.8	171.4	-55.4	-22.8	0	0	0	111.6
421	P	43.3	Very low	30.9	Very low	134 Å²	134	131.7 Å²	131.7	87%	0.87	77%	0.767	S	S	*	*				-136.3	178	99	39.6	-30.3	0	0	0	114.8
422	S	26.8	Very low	30.9	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	77%	0.77	S	S	*	*			trans	-88.1	164	-170.7	-50.1	0	0	0	0	114.9
423	A	27.8	Very low	31	Very low	87 Å²	87	129.2 Å²	129.2	72%	0.719	76%	0.762	S	S	*	*				124.5	147.7	119.3	0	0	0	0	0	118.7
424	T	29	Very low	31	Very low	142 Å²	142	131.3 Å²	131.3	87%	0.871	77%	0.767	S	S	*	*			trans	91	127.9	153.1	-22.1	0	0	0	0	119.2
425	L	26.7	Very low	31.1	Very low	155 Å²	155	130.9 Å²	130.9	81%	0.812	78%	0.776	S	S	*	*			trans	-60.1	171.9	161.8	-71.3	169.2	0	0	0	111.4
426	P	39.2	Very low	31.4	Very low	120 Å²	120	126.6 Å²	126.6	78%	0.779	77%	0.766	S	S	*	*			cis	-146.1	-169.4	31.1	43	-21.3	0	0	0	118
427	A	25.1	Very low	31.7	Very low	84 Å²	84	129.7 Å²	129.7	69%	0.694	77%	0.772	S	S	*	*			trans	-52.4	166.8	166.5	0	0	0	0	0	112.5
428	S	25.6	Very low	30.6	Very low	94 Å²	94	134 Å²	134	66%	0.657	78%	0.779	S	S	*	*				175.4	162.2	55.8	51	0	0	0	0	112
429	V	28	Very low	29.9	Very low	131 Å²	131	133.4 Å²	133.4	79%	0.794	78%	0.783	S	S	*	*			trans	56.4	165.7	160.5	-62.8	0	0	0	0	117.6
430	V	30	Very low	30.1	Very low	119 Å²	119	136 Å²	136	72%	0.721	78%	0.783	S	S	*	*			cis	-144.4	133.3	-15.5	-115	0	0	0	0	105.4
431	D	25.8	Very low	30.4	Very low	145 Å²	145	133.7 Å²	133.7	78%	0.775	78%	0.778	S	S	*	*				87.7	164.8	99.2	-156.4	10.6	0	0	0	114.2
432	D	28.4	Very low	30.2	Very low	135 Å²	135	131.9 Å²	131.9	72%	0.722	77%	0.769	S	S	*	*			trans	62.5	145.9	177	-88.8	-36	0	0	0	118.7
433	S	30.8	Very low	30.4	Very low	90 Å²	90	137.2 Å²	137.2	63%	0.629	78%	0.778	S	S	*	*			cis	-155.4	136.2	-21.7	-137.5	0	0	0	0	113.9
434	F	27	Very low	30.7	Very low	195 Å²	195	136.2 Å²	136.2	86%	0.855	78%	0.776	S	S	*	*				24.5	113.7	127.8	-151.3	-95.7	0	0	0	119.7
435	G	29.4	Very low	31.3	Very low	75 Å²	75	138.9 Å²	138.9	77%	0.773	78%	0.776	S	S	*	*			trans	-145.7	-4	-169.7	0	0	0	0	0	122.5
436	S	31.6	Very low	31.8	Very low	89 Å²	89	134.5 Å²	134.5	62%	0.622	77%	0.768	S	S	*	*			trans	32.1	126.1	163.8	-64.8	0	0	0	0	122.9
437	R	34.8	Very low	31.9	Very low	257 Å²	257	136.5 Å²	136.5	97%	0.97	76%	0.764	S	S	*	*				-176.6	170.5	127.2	-97.4	148.2	-152.1	-154.4	6.1	115
438	K	32.5	Very low	32.4	Very low	209 Å²	209	141.2 Å²	141.2	91%	0.909	77%	0.77	S	S	*	*			trans	-129.1	140	-170.6	-58.3	170.2	178.2	173	0	113.1
439	A	32.4	Very low	32.8	Very low	94 Å²	94	145.6 Å²	145.6	78%	0.777	78%	0.777	S	S	*	*			trans	-174	141.5	149.3	0	0	0	0	0	108.5
440	R	31.6	Very low	33.2	Very low	240 Å²	240	146.6 Å²	146.6	91%	0.906	78%	0.776	S	S	*	*			cis	66.8	140.2	49.8	-78.3	-171.6	160.7	-175.4	-5.5	113.7
441	S	33	Very low	33.3	Very low	99 Å²	99	152.7 Å²	152.7	69%	0.692	79%	0.786	S	S	*	*			cis	-177.1	168.1	-8.8	-110.9	0	0	0	0	110
442	S	38.9	Very low	33.4	Very low	96 Å²	96	149.6 Å²	149.6	67%	0.671	79%	0.789	S	S	*	*			cis	174.9	124.7	-37.3	51.7	0	0	0	0	110.5
443	F	31.1	Very low	33.5	Very low	225 Å²	225	146.8 Å²	146.8	99%	0.987	79%	0.791	S	S	*	*			trans	-139.2	145.3	178.2	-79.2	-75.3	0	0	0	112.3
444	G	33.1	Very low	33.7	Very low	66 Å²	66	152.3 Å²	152.3	68%	0.68	80%	0.804	S	S	*	*			cis	159.4	130.5	-18.2	0	0	0	0	0	116.7
445	K	42.3	Very low	34	Very low	199 Å²	199	152.3 Å²	152.3	87%	0.865	80%	0.804	S	S	*	*			trans	83	143.7	173.3	-53.9	170.1	-179.1	173.7	0	116.2	F447	K445-F447 HydrophobicContact CG-CZ 4.21Å
446	G	38	Very low	34.1	Very low	62 Å²	62	154.4 Å²	154.4	64%	0.639	80%	0.802	S	S	*	*			cis	131.9	143.3	-0.8	0	0	0	0	0	111.8
447	F	41.3	Very low	34.1	Very low	162 Å²	162	155.4 Å²	155.4	71%	0.711	81%	0.809	S	S	*	*			cis	-142.4	-164.8	10.6	-55.8	-79.5	0	0	0	109.4	K445	K445-F447 HydrophobicContact CG-CZ 4.21Å
448	F	34.8	Very low	33.9	Very low	183 Å²	183	148.9 Å²	148.9	80%	0.803	80%	0.803	S	S	*	*			cis	-137.8	-177.1	28.1	-74.4	-85.3	0	0	0	110.8
449	K	34.7	Very low	33.8	Very low	186 Å²	186	144.3 Å²	144.3	81%	0.809	80%	0.797	S	S	*	*			cis	73.3	139.1	31	-104.2	174.9	-178.8	177.4	0	113.2
450	I	35.8	Very low	34.3	Very low	153 Å²	153	145.9 Å²	145.9	79%	0.785	80%	0.799	S	S	*	*			cis	-133.3	123.1	13	-64.9	177.9	0	0	0	107.8
451	R	32.7	Very low	34.3	Very low	246 Å²	246	141.7 Å²	141.7	93%	0.928	80%	0.795	S	S	*	*				99.1	108.9	60.9	-167.4	-173.7	-172.6	168.4	4.2	114.2
452	G	27.8	Very low	34.1	Very low	81 Å²	81	144.7 Å²	144.7	84%	0.835	80%	0.802	S	S	*	*			trans	178.7	171.4	167.7	0	0	0	0	0	109.8
453	G	29.9	Very low	33.6	Very low	75 Å²	75	147.4 Å²	147.4	77%	0.773	81%	0.809	S	S	*	*			cis	-179.1	147.3	-12.1	0	0	0	0	0	110.2
454	K	36.2	Very low	33.5	Very low	207 Å²	207	146.9 Å²	146.9	90%	0.9	80%	0.801	S	S	*	*			trans	-158.5	131.6	175.3	-71.8	-169.2	178.2	-175.5	0	113.2
455	K	33.1	Very low	33.3	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	80%	0.799	S	S	*	*				160.7	141.9	125.8	-92	-176.3	176.9	-173.6	0	115.6
456	T	31.2	Very low	32.9	Very low	119 Å²	119	149.8 Å²	149.8	73%	0.73	80%	0.799	S	S	*	*			trans	61.2	118.6	145.1	54.3	0	0	0	0	124.4
457	S	31.2	Very low	32.5	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	81%	0.805	S	S	*	*			trans	75.6	151	131.7	60.9	0	0	0	0	123.5
458	S	29.9	Very low	31.9	Very low	121 Å²	121	148.7 Å²	148.7	85%	0.846	81%	0.808	S	S	*	*			trans	79.2	130.7	169.9	64.8	0	0	0	0	119.2
459	S	31.4	Very low	31.6	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	81%	0.814	S	S	*	*			trans	-90	163.6	166.5	-40	0	0	0	0	110
460	P	43.2	Very low	31.6	Very low	127 Å²	127	141.2 Å²	141.2	83%	0.825	81%	0.806	S	S	*	*				-141	-173.4	83.2	37.2	-20.5	0	0	0	114.5
461	N	30.6	Very low	31.8	Very low	151 Å²	151	136.6 Å²	136.6	81%	0.807	79%	0.786	S	S	*	*			trans	-73.2	145.5	-176.2	-56.3	-52.4	0	0	0	113.8
462	L	28.6	Very low	31.6	Very low	163 Å²	163	132.4 Å²	132.4	85%	0.853	78%	0.779	S	S	*	*				-178.9	134.7	108.7	-99.7	164.4	0	0	0	114.3
463	D	28.5	Very low	31.7	Very low	152 Å²	152	132.9 Å²	132.9	81%	0.813	76%	0.762	S	S	*	*			trans	70.3	162.2	144.8	-142.5	-1.8	0	0	0	122.9
464	R	28.8	Very low	31.6	Very low	215 Å²	215	134 Å²	134	81%	0.811	77%	0.765	S	S	*	*			trans	72.9	87.7	163	-101.9	-171.2	163.1	148.7	-1.4	122.6
465	S	28.9	Very low	31.1	Very low	91 Å²	91	131.6 Å²	131.6	64%	0.636	76%	0.756	S	S	*	*				71.7	150.7	111.4	74.6	0	0	0	0	123.8
466	R	33.8	Very low	31.1	Very low	234 Å²	234	128.1 Å²	128.1	88%	0.883	75%	0.752	S	S	*	*			trans	68.6	145.2	165.5	-63.8	-167.6	173.6	-155.6	-4.5	116.8
467	S	30.6	Very low	30.9	Very low	107 Å²	107	129.3 Å²	129.3	75%	0.748	75%	0.749	S	S	*	*			cis	-167.5	150.5	-18.1	-93.6	0	0	0	0	109
468	A	27.7	Very low	30.9	Very low	95 Å²	95	133.8 Å²	133.8	79%	0.785	75%	0.749	S	S	*	*			trans	165.9	107.9	141.7	0	0	0	0	0	112.3
469	S	28.9	Very low	31	Very low	133 Å²	133	135.6 Å²	135.6	93%	0.93	74%	0.744	S	S	*	*			trans	174.5	114.2	142.7	-81.7	0	0	0	0	110.7
470	A	33.9	Very low	30.8	Very low	78 Å²	78	133 Å²	133	65%	0.645	74%	0.735	S	S	*	*			trans	-120	179.7	165.7	0	0	0	0	0	107.9
471	P	40.9	Very low	30.1	Very low	56 Å²	56	132.7 Å²	132.7	36%	0.364	73%	0.731	S	S	.	*				-127.5	171.2	-60.4	37.6	-27.1	0	0	0	112	L138	L138-P471 HydrophobicContact CD2-CB 3.97Å; L138-P471 HydrophobicContact CD2-CG 3.71Å; L138-P471 HydrophobicContact CG-CG 4.46Å
472	M	28.8	Very low	30.1	Very low	158 Å²	158	132.3 Å²	132.3	78%	0.778	73%	0.729	S	S	*	*			trans	-144.2	143	154.3	-94.5	-86.9	76.6	0	0	108.9
473	L	29	Very low	30.1	Very low	92 Å²	92	132.3 Å²	132.3	48%	0.482	72%	0.724	S	S	.	*			trans	-95.9	144.4	179.8	-96.7	173.8	0	0	0	112.2	L138	L138-L473 HydrophobicContact CB-CD1 4.14Å; L138-L473 HydrophobicContact CD1-CD1 3.75Å; L138-L473 HydrophobicContact CD1-CD2 3.77Å; L138-L473 HydrophobicContact CD1-CG 3.51Å; L138-L473 HydrophobicContact CD2-CD1 3.96Å; L138-L473 HydrophobicContact CD2-CG 3.73Å; L138-L473 HydrophobicContact CG-CD1 4.16Å; L138-L473 HydrophobicContact CG-CG 4.15Å
474	A	28.1	Very low	30.3	Very low	99 Å²	99	131.7 Å²	131.7	82%	0.818	72%	0.72	S	S	*	*				178.9	82.4	129.1	0	0	0	0	0	112.5
475	E	26.8	Very low	30.3	Very low	155 Å²	155	127.7 Å²	127.7	72%	0.724	72%	0.715	S	S	*	*			trans	-133.6	148.7	155.2	-73.2	175.4	141.7	0	0	104.6
476	T	33.1	Very low	30.4	Very low	123 Å²	123	130.2 Å²	130.2	76%	0.755	72%	0.721	S	S	*	*				-145.2	154.8	52.1	35.2	0	0	0	0	111.9
477	E	26.9	Very low	30.3	Very low	143 Å²	143	124 Å²	124	67%	0.668	72%	0.719	S	S	*	*				62.4	118.5	71.6	-67.6	-156.6	110.5	0	0	114.8
478	R	30.7	Very low	30.1	Very low	204 Å²	204	122.4 Å²	122.4	77%	0.77	72%	0.72	S	S	*	*				72.9	158.1	83.3	-65.4	169.5	172.6	-125	7.9	113.1
479	Q	31.1	Very low	30.4	Very low	158 Å²	158	124.8 Å²	124.8	74%	0.738	73%	0.725	S	S	*	*			cis	-160.9	-179.5	10	-143.2	160.1	-96.3	0	0	112.4
480	G	28.4	Very low	31.2	Very low	59 Å²	59	123.7 Å²	123.7	61%	0.608	71%	0.714	S	S	*	*			trans	105.8	124.4	167.5	0	0	0	0	0	114.2
481	T	28.8	Very low	30.9	Very low	120 Å²	120	128 Å²	128	74%	0.736	72%	0.721	S	S	*	*			cis	80.4	140.1	21.6	91.9	0	0	0	0	115.5
482	D	30.8	Very low	30.2	Very low	144 Å²	144	135.9 Å²	135.9	77%	0.77	74%	0.744	S	S	*	*			cis	-121.3	-141.9	3.2	-74.4	-88.8	0	0	0	110.5
483	H	26.8	Very low	30.1	Very low	162 Å²	162	132.9 Å²	132.9	75%	0.75	74%	0.738	S	S	*	*			cis	-166.9	167.8	2.1	-161.2	-142.4	0	0	0	111.4
484	L	32.5	Very low	30	Very low	139 Å²	139	133 Å²	133	73%	0.728	75%	0.746	S	S	*	*			trans	65.1	139.2	169.9	-66.9	173.1	0	0	0	119
485	D	30	Very low	29.9	Very low	131 Å²	131	135.5 Å²	135.5	70%	0.701	75%	0.746	S	S	*	*			cis	-161.8	165.3	-14.3	-159	5.7	0	0	0	113
486	L	31.4	Very low	30	Very low	144 Å²	144	133 Å²	133	75%	0.754	75%	0.746	S	S	*	*			trans	76.5	113.4	148.3	-127.5	74.4	0	0	0	123.9
487	A	30.8	Very low	29.6	Very low	103 Å²	103	134.5 Å²	134.5	85%	0.851	75%	0.749	S	S	*	*			trans	73.8	127	140.2	0	0	0	0	0	123.1
488	G	26	Very low	29.7	Very low	75 Å²	75	131.8 Å²	131.8	77%	0.773	75%	0.746	S	S	*	*			trans	155.9	118.2	162	0	0	0	0	0	112.9
489	V	34	Very low	29.6	Very low	145 Å²	145	127.6 Å²	127.6	88%	0.879	74%	0.743	S	S	*	*			trans	-122.3	176.7	-176.3	-127.3	0	0	0	0	111
490	P	46.1	Very low	29.5	Very low	109 Å²	109	128.1 Å²	128.1	71%	0.708	75%	0.745	S	S	*	*				-123.4	-178.3	-118.1	42.9	-27	0	0	0	114.8
491	Q	27.9	Very low	29.5	Very low	168 Å²	168	131.6 Å²	131.6	79%	0.785	76%	0.755	S	S	*	*			trans	-175.8	142.9	135.7	-99.6	169.8	26.6	0	0	109.9
492	R	25.9	Very low	29.4	Very low	223 Å²	223	133.7 Å²	133.7	84%	0.842	76%	0.761	S	S	*	*				50.1	141.2	81	-60.7	-172.2	179	-176.9	-1.5	114.6
493	S	27.2	Very low	30	Very low	95 Å²	95	132 Å²	132	66%	0.664	76%	0.758	S	S	*	*			cis	-171.6	167.8	-18.2	52.9	0	0	0	0	109.9
494	S	26.4	Very low	30	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	76%	0.763	S	S	*	*			trans	57.8	119.1	145.5	60	0	0	0	0	121.6
495	N	25.3	Very low	29.7	Very low	153 Å²	153	130.5 Å²	130.5	82%	0.818	77%	0.766	S	S	*	*				89.5	129	128.4	-73.2	29.7	0	0	0	123.1
496	S	29.2	Very low	30.6	Very low	102 Å²	102	129.6 Å²	129.6	71%	0.713	77%	0.767	S	S	*	*				77	98.8	127	70.7	0	0	0	0	121.4
497	D	24.5	Very low	30.4	Very low	154 Å²	154	129.6 Å²	129.6	82%	0.824	76%	0.763	S	S	*	*				95.6	142.2	108.9	-125.1	-27.6	0	0	0	123
498	S	29.3	Very low	30.4	Very low	86 Å²	86	128.8 Å²	128.8	60%	0.601	75%	0.752	S	S	*	*			trans	73.7	107.3	146.2	69.5	0	0	0	0	122.2
499	T	29.1	Very low	30.6	Very low	116 Å²	116	134.1 Å²	134.1	71%	0.712	75%	0.749	S	S	*	*				73.8	118.2	125.6	55.6	0	0	0	0	123.8
500	H	28.5	Very low	30.9	Very low	169 Å²	169	136.4 Å²	136.4	78%	0.782	75%	0.746	S	S	*	*			trans	81.7	147.2	130.5	-80.9	-66.4	0	0	0	123.7
501	T	28.6	Very low	30.6	Very low	132 Å²	132	140.1 Å²	140.1	81%	0.81	75%	0.752	S	S	*	*			trans	76.6	107.3	158.7	43.1	0	0	0	0	121.5
502	L	26.4	Very low	31.4	Very low	164 Å²	164	136 Å²	136	86%	0.859	74%	0.741	S	S	*	*			trans	-62.8	176.2	143.5	-59.4	168	0	0	0	110.5
503	P	44.5	Very low	32	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	74%	0.744	S	S	*	*			cis	-137.3	177.5	4.7	42.6	-26.5	0	0	0	115.6
504	T	25.8	Very low	32.2	Very low	139 Å²	139	133.9 Å²	133.9	85%	0.853	75%	0.746	S	S	*	*				-173.6	164.4	124.8	19.1	0	0	0	0	113.3
505	T	26.1	Very low	33.4	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	75%	0.751	S	S	*	*			trans	-129.5	-168.1	177	60.8	0	0	0	0	107.6
506	P	50.3	Low	34.7	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	75%	0.748	S	S	*	*			cis	-141	-152.9	1.2	43.2	-21.6	0	0	0	114.8
507	E	26.6	Very low	35.5	Very low	144 Å²	144	140.2 Å²	140.2	67%	0.673	75%	0.747	S	S	*	*			trans	101.8	139.7	166.3	-66.5	-137.2	163	0	0	117.9	R509	E507-R509 IonicContact OE2-CZ 2.76Å; E507-R509 IonicContact OE2-NE 3.61Å; E507-R509 PolarHBondContact OE2-NE 3.46Å; E507-R509 IonicContact OE2-NH2 3.35Å; E507-R509 PolarHBondContact OE2-NH2 3.31Å
508	S	30.6	Very low	36.3	Very low	87 Å²	87	140 Å²	140	61%	0.608	75%	0.745	S	S	*	*			cis	-166.9	-156.2	-36.8	37.8	0	0	0	0	107.7
509	R	31.1	Very low	36.6	Very low	187 Å²	187	143.8 Å²	143.8	71%	0.706	75%	0.751	S	S	*	*			cis	-161.5	112.8	18.7	-64.1	172	179.8	160	-0.4	113	E507	E507-R509 IonicContact OE2-CZ 2.76Å; E507-R509 IonicContact OE2-NE 3.61Å; E507-R509 PolarHBondContact OE2-NE 3.46Å; E507-R509 IonicContact OE2-NH2 3.35Å; E507-R509 PolarHBondContact OE2-NH2 3.31Å
510	K	38.8	Very low	36.7	Very low	192 Å²	192	141.3 Å²	141.3	84%	0.835	75%	0.748	S	S	*	*			trans	70.5	158.1	153.5	-64.9	151.9	-172	168.8	0	117.1
511	K	40.5	Very low	36.9	Very low	188 Å²	188	142.7 Å²	142.7	82%	0.817	75%	0.752	S	S	*	*			cis	-168.6	172	3.9	-114.2	170.5	175.9	-179	0	106.9
512	S	45.2	Very low	37.1	Very low	81 Å²	81	143.4 Å²	143.4	57%	0.566	75%	0.75	S	S	*	*			cis	176.4	153.7	-30.7	58.7	0	0	0	0	112
513	K	38.1	Very low	37.5	Very low	206 Å²	206	144 Å²	144	90%	0.896	75%	0.746	S	S	*	*			trans	85	139.9	171.5	-49	164.8	-177	177.3	0	116.8
514	G	32.7	Very low	36.8	Very low	68 Å²	68	150 Å²	150	70%	0.701	75%	0.754	S	S	*	*			cis	117.6	130.1	-23.5	0	0	0	0	0	118
515	I	51.4	Low	37	Very low	151 Å²	151	148.4 Å²	148.4	77%	0.774	75%	0.749	S	S	*	*			trans	-178.7	117.6	150.7	-99.1	155.4	0	0	0	113.9
516	K	50.8	Low	37	Very low	173 Å²	173	150.2 Å²	150.2	75%	0.752	75%	0.748	S	S	*	*			trans	45.5	154.5	130.8	-51.3	171.5	-176.6	167	0	121.8
517	K	47.7	Very low	36	Very low	157 Å²	157	149.2 Å²	149.2	68%	0.683	74%	0.744	S	S	*	*			cis	-166.2	168.6	-12.8	-109.7	-172.4	177	-169.5	0	107.5
518	L	40.7	Very low	36.1	Very low	150 Å²	150	147.8 Å²	147.8	79%	0.785	75%	0.746	S	S	*	*				-174.3	157.2	78.6	-79.7	165.5	0	0	0	112.3
519	F	35.1	Very low	36	Very low	165 Å²	165	149.1 Å²	149.1	72%	0.724	75%	0.75	S	S	*	*			trans	-31	160.9	178.1	-53.2	-97.8	0	0	0	120.7
520	G	31	Very low	35.7	Very low	64 Å²	64	149 Å²	149	66%	0.66	76%	0.755	S	S	*	*			cis	139.3	164.1	-7.3	0	0	0	0	0	115.9
521	K	33.5	Very low	35.2	Very low	197 Å²	197	146.2 Å²	146.2	86%	0.857	75%	0.749	S	S	*	*			trans	76	159.3	-179.3	-46.8	173.6	179.4	174	0	113.8
522	L	32.7	Very low	34.6	Very low	148 Å²	148	143.9 Å²	143.9	78%	0.775	75%	0.745	S	S	*	*			cis	-153.6	142.4	10.6	-167.3	54.7	0	0	0	113.6
523	K	34.4	Very low	33.7	Very low	177 Å²	177	146.3 Å²	146.3	77%	0.77	75%	0.752	S	S	*	*			trans	22.6	118.7	143.6	-151.4	177.8	177.7	-173.7	0	118.6
524	R	30.5	Very low	33.2	Very low	233 Å²	233	142.7 Å²	142.7	88%	0.879	74%	0.742	S	S	*	*				74.3	103.2	59.6	-173.1	-162.9	-170.6	-174.8	6	115.8
525	S	29.2	Very low	33.1	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	74%	0.743	S	S	*	*			trans	-164.5	134	148.6	-113.9	0	0	0	0	108.7
526	Q	25.4	Very low	32.2	Very low	168 Å²	168	146.5 Å²	146.5	79%	0.785	75%	0.747	S	S	*	*				68.6	136.7	93	-62.9	-71.1	20	0	0	113.6
527	S	30.5	Very low	31.4	Very low	91 Å²	91	144.4 Å²	144.4	64%	0.636	75%	0.751	S	S	*	*			cis	-158.2	148.7	22.4	52.8	0	0	0	0	115.3
528	T	28.4	Very low	30.7	Very low	114 Å²	114	145.5 Å²	145.5	70%	0.699	76%	0.758	S	S	*	*			trans	48.7	145.9	136.5	58.8	0	0	0	0	123.2
529	T	28.9	Very low	30.1	Very low	115 Å²	115	141.5 Å²	141.5	71%	0.706	75%	0.754	S	S	*	*			cis	-179.8	146.9	-25.5	24.1	0	0	0	0	107.3
530	F	24.6	Very low	30	Very low	185 Å²	185	139.9 Å²	139.9	81%	0.811	75%	0.749	S	S	*	*			trans	29.1	141	154.8	-71.9	-85.4	0	0	0	120.7
531	N	28.6	Very low	29.9	Very low	133 Å²	133	147.1 Å²	147.1	71%	0.711	76%	0.762	S	S	*	*			cis	-169.7	159.8	39	-142.5	-14.7	0	0	0	113.6
532	L	27.1	Very low	30.3	Very low	139 Å²	139	145.1 Å²	145.1	73%	0.728	75%	0.754	S	S	*	*			trans	66.3	132.2	146.5	-150.6	71.3	0	0	0	123.9
533	D	26.1	Very low	30.8	Very low	132 Å²	132	150.6 Å²	150.6	71%	0.706	76%	0.764	S	S	*	*			trans	78.8	140.8	149.1	-82.4	-22.7	0	0	0	127.5
534	D	28.6	Very low	30.8	Very low	130 Å²	130	145.9 Å²	145.9	70%	0.695	77%	0.766	S	S	*	*			trans	62.9	127.1	150.6	-92.6	-13.9	0	0	0	125.9
535	N	30.9	Very low	31	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	76%	0.762	S	S	*	*			trans	49.9	85	141.5	-63.1	-48.7	0	0	0	121.2
536	L	31.7	Very low	31.5	Very low	165 Å²	165	140.2 Å²	140.2	86%	0.864	77%	0.768	S	S	*	*			trans	-161.4	139.3	135.5	-140.9	70.6	0	0	0	112.2
537	P	33.1	Very low	32.1	Very low	128 Å²	128	144.1 Å²	144.1	83%	0.831	78%	0.775	S	S	*	*			trans	-93.2	108.9	173.5	33.7	-30.8	0	0	0	112.2
538	E	32.8	Very low	32.7	Very low	180 Å²	180	144.6 Å²	144.6	84%	0.841	79%	0.785	S	S	*	*			trans	-144.8	147.2	161.7	-155.8	175.6	-129	0	0	111.7
539	G	29.3	Very low	33.5	Very low	67 Å²	67	146.2 Å²	146.2	69%	0.691	80%	0.795	S	S	*	*			trans	-146.8	36.1	-167.3	0	0	0	0	0	114.8	F541	G539-F541 PolarHBondContact O-N 2.96Å
540	E	31.9	Very low	33.7	Very low	131 Å²	131	145.6 Å²	145.6	61%	0.612	80%	0.801	S	S	*	*			trans	-59.6	127.7	172.4	-86.7	-145.8	132.7	0	0	112.5	K542	E540-K542 PolarHBondContact O-N 3.18Å; E540-K542 IonicContact OE1-NZ 2.67Å; E540-K542 PolarHBondContact OE1-NZ 3.45Å; E540-K542 IonicContact OE2-NZ 3.65Å; E540-K542 PolarHBondContact OE2-NZ 3.47Å
541	F	29.1	Very low	34.4	Very low	215 Å²	215	139.7 Å²	139.7	94%	0.943	79%	0.792	S	S	*	*			trans	-85.6	99.8	165.3	-93.7	-89.1	0	0	0	111.5	G539	G539-F541 PolarHBondContact O-N 2.96Å
542	K	43.6	Very low	34.9	Very low	156 Å²	156	139.6 Å²	139.6	68%	0.678	80%	0.799	S	S	*	*			trans	-133	104.4	165.6	-68.3	-159.3	-173.5	100.2	0	114.7	E540	E540-K542 PolarHBondContact O-N 3.18Å; E540-K542 IonicContact OE1-NZ 2.67Å; E540-K542 PolarHBondContact OE1-NZ 3.45Å; E540-K542 IonicContact OE2-NZ 3.65Å; E540-K542 PolarHBondContact OE2-NZ 3.47Å
543	R	42.6	Very low	35.6	Very low	262 Å²	262	144.6 Å²	144.6	99%	0.989	81%	0.808	S	S	*	*			trans	-162.1	125.9	155	-128.8	-177.5	-170.6	-149.3	4.5	108.4
544	G	34.7	Very low	37	Very low	79 Å²	79	147 Å²	147	81%	0.814	82%	0.82	S	S	*	*			cis	140.6	103	-1.6	0	0	0	0	0	109.9
545	G	33.2	Very low	37.3	Very low	77 Å²	77	143.5 Å²	143.5	79%	0.794	82%	0.815	S	S	*	*			trans	-175.6	37.8	-165.6	0	0	0	0	0	120.2
546	V	40.3	Very low	37.4	Very low	144 Å²	144	148.4 Å²	148.4	87%	0.873	82%	0.824	S	S	*	*			trans	34.9	98.4	156.1	-160.4	0	0	0	0	119.5
547	R	38.9	Very low	37.5	Very low	250 Å²	250	145.5 Å²	145.5	94%	0.943	82%	0.817	S	S	*	*			trans	-158.8	112.5	135.2	-113.7	-177.6	-171.2	-152.6	1.4	110.3
548	A	43.1	Very low	37.6	Very low	101 Å²	101	150 Å²	150	84%	0.835	82%	0.817	S	S	*	*			trans	-112.4	100.7	-172.6	0	0	0	0	0	112.2
549	T	44.4	Very low	37.6	Very low	148 Å²	148	148 Å²	148	91%	0.908	81%	0.812	S	S	*	*			trans	-150.8	78.3	157.4	50.3	0	0	0	0	108.4
550	A	33.4	Very low	38.1	Very low	102 Å²	102	151.8 Å²	151.8	84%	0.843	81%	0.81	S	S	*	*			trans	-121.8	123.3	172.6	0	0	0	0	0	108.7
551	G	39.5	Very low	38.4	Very low	60 Å²	60	154.8 Å²	154.8	62%	0.619	82%	0.824	S	S	*	*			trans	-68.8	167.2	172.6	0	0	0	0	0	112.1	R553	G551-R553 PolarHBondContact O-N 2.97Å
552	P	39.2	Very low	38.9	Very low	132 Å²	132	155.5 Å²	155.5	86%	0.857	82%	0.821	S	S	*	*			trans	-65.1	123.6	-169.8	26.5	-34.7	0	0	0	111.9
553	R	41.7	Very low	38.5	Very low	244 Å²	244	154.4 Å²	154.4	92%	0.921	83%	0.827	S	S	*	*			trans	-92.1	108.6	163.3	-76.3	-172.1	167.6	-157.3	-5.3	108.6	G551 G555	G551-R553 PolarHBondContact O-N 2.97Å; R553-G555 PolarHBondContact O-N 3.04Å
554	L	55.1	Low	38.1	Very low	182 Å²	182	147.5 Å²	147.5	95%	0.953	81%	0.809	S	S	*	*			trans	-64.8	122.1	165.3	-71.5	167.2	0	0	0	108.8
555	G	34.1	Very low	38.5	Very low	57 Å²	57	151.7 Å²	151.7	59%	0.588	81%	0.813	S	S	*	*			trans	174.6	129.3	176.2	0	0	0	0	0	112.7	R553	R553-G555 PolarHBondContact O-N 3.04Å
556	W	32.8	Very low	38.8	Very low	237 Å²	237	155 Å²	155	90%	0.898	81%	0.807	S	S	*	*			trans	68.7	87	169.1	-49.2	98.1	0	0	0	116.4	R558	W556-R558 PolarHBondContact O-N 2.85Å
557	S	35.3	Very low	39.1	Very low	103 Å²	103	155.1 Å²	155.1	72%	0.72	81%	0.808	S	S	*	*			trans	-68	76.4	159.2	-49.6	0	0	0	0	110.5	F560	S557-F560 VanDerWaalsContact CB-CE2 3.5Å; S557-F560 WeakPolarHBondContact O-CD2 3.47Å
558	R	34.4	Very low	40.2	Very low	223 Å²	223	150.8 Å²	150.8	84%	0.842	80%	0.804	S	S	*	*			trans	-123.8	31.6	173.6	-151.2	179.2	71.5	169.1	2.8	112.6	W556	W556-R558 PolarHBondContact O-N 2.85Å
559	D	32	Very low	41.7	Very low	138 Å²	138	147.5 Å²	147.5	74%	0.738	78%	0.777	S	S	*	*			trans	-119.5	25.5	173.8	-72.9	-55.8	0	0	0	111.8	Q561 R562	D559-Q561 PolarHBondContact O-N 3.47Å; D559-R562 PolarHBondContact O-N 3.42Å
560	F	40.7	Very low	43.7	Very low	147 Å²	147	143.8 Å²	143.8	65%	0.645	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	21	-175.7	-91.4	-61.3	0	0	0	115.8	S557	S557-F560 VanDerWaalsContact CB-CE2 3.5Å; S557-F560 WeakPolarHBondContact O-CD2 3.47Å
561	Q	39.2	Very low	46.4	Very low	194 Å²	194	139.3 Å²	139.3	91%	0.907	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	9.3	173.7	-75.5	-173.9	-22.5	0	0	113.7	D559	D559-Q561 PolarHBondContact O-N 3.47Å
562	R	39.5	Very low	48.8	Very low	230 Å²	230	137.7 Å²	137.7	87%	0.868	70%	0.698	S	S	*	*	S	Bend	trans	-136	54.7	-176.8	-73.2	-165.4	170.4	-162.5	-1.4	116.3	D559	D559-R562 PolarHBondContact O-N 3.42Å
563	V	34.9	Very low	51.3	Low	133 Å²	133	140.8 Å²	140.8	81%	0.806	69%	0.692	S	S	*	*	S	Bend	trans	-140.2	-29.3	155.1	-148.3	0	0	0	0	114.7	N565	V563-N565 VanDerWaalsContact C-N 3.32Å; V563-N565 PolarHBondContact O-N 2.89Å
564	N	34.8	Very low	53.7	Low	117 Å²	117	131.4 Å²	131.4	63%	0.626	66%	0.657	S	S	*	*			trans	-72.1	81	179.4	-101.4	-4.4	0	0	0	112.6	E566	N564-E566 VanDerWaalsContact C-N 3.31Å; N564-E566 PolarHBondContact O-N 3.45Å
565	N	41.7	Very low	55.5	Low	166 Å²	166	125.2 Å²	125.2	89%	0.888	63%	0.629	S	S	*	*			trans	-93.4	47.2	171.1	-95	-24.7	0	0	0	112.2	V563	V563-N565 VanDerWaalsContact C-N 3.32Å; V563-N565 PolarHBondContact O-N 2.89Å
566	E	39.3	Very low	58.4	Low	146 Å²	146	125.1 Å²	125.1	68%	0.682	61%	0.612	S	S	*	*	S	Bend	trans	-128.2	131.5	149.4	-73.4	-160.3	157	0	0	107.7	N564 D568	N564-E566 VanDerWaalsContact C-N 3.31Å; N564-E566 PolarHBondContact O-N 3.45Å; E566-D568 PolarHBondContact O-N 2.88Å
567	V	47.7	Very low	61.3	Low	147 Å²	147	117.6 Å²	117.6	89%	0.891	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	104.5	-163.2	179.5	0	0	0	0	112.3	A569	V567-A569 PolarHBondContact O-N 3.13Å
568	D	60.6	Low	64.1	Low	159 Å²	159	115.4 Å²	115.4	85%	0.85	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	29.9	53.5	166.9	-148.2	9	0	0	0	114.5	E566 P570	E566-D568 PolarHBondContact O-N 2.88Å; D568-P570 WeakPolarHBondContact O-CD 3.38Å
569	A	76.3	Confident	66.9	Low	32 Å²	32	104.8 Å²	104.8	26%	0.264	53%	0.528	S	S	.	.			trans	-68.9	123.6	-172.9	0	0	0	0	0	109.4	V567 W574	V567-A569 PolarHBondContact O-N 3.13Å; A569-W574 PolarHBondContact O-NE1 3.38Å
570	P	86.5	Confident	69.9	Low	70 Å²	70	98.2 Å²	98.2	46%	0.455	49%	0.493	S	S	.	.			trans	-62.7	145.7	177.1	25.3	-34.6	0	0	0	110.1	D568 A572 R573	D568-P570 WeakPolarHBondContact O-CD 3.38Å; P570-A572 PolarHBondContact O-N 3.33Å; P570-R573 HydrophobicContact CG-CG 4.3Å; P570-R573 PolarHBondContact O-N 2.83Å
571	F	89.3	Confident	72.5	Confident	8 Å²	8	95.5 Å²	95.5	4%	0.035	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-49.2	-35.9	-169.3	-175.5	-96.4	0	0	0	114.2	R573 W574 V579 W582 G602 L605 L606 L632 L635	F571-R573 PolarHBondContact O-N 3.47Å; F571-W574 AromaticContact CD2-CD2 3.64Å; F571-W574 HydrophobicContact CD2-CD2 3.64Å; F571-W574 AromaticContact CD2-CE3 3.4Å; F571-W574 HydrophobicContact CD2-CE3 3.4Å; F571-W574 HydrophobicContact CD2-CG 4.28Å; F571-W574 HydrophobicContact CD2-CH2 4.06Å; F571-W574 HydrophobicContact CD2-CZ2 4.27Å; F571-W574 AromaticContact CD2-CZ3 3.62Å; F571-W574 HydrophobicContact CD2-CZ3 3.62Å; F571-W574 HydrophobicContact CE2-CD2 4.22Å; F571-W574 AromaticContact CE2-CE3 3.56Å; F571-W574 HydrophobicContact CE2-CE3 3.56Å; F571-W574 AromaticContact CE2-CZ3 3.76Å; F571-W574 HydrophobicContact CE2-CZ3 3.76Å; F571-W574 HydrophobicContact CG-CD2 4.44Å; F571-W574 WeakPolarHBondContact O-CB 3.46Å; F571-W574 PolarHBondContact O-N 3.2Å; F571-V579 HydrophobicContact CE2-CG2 4.45Å; F571-V579 HydrophobicContact CZ-CG1 4.4Å; F571-V579 HydrophobicContact CZ-CG2 4.34Å; F571-W582 AromaticContact CE2-CD2 3.97Å; F571-W582 HydrophobicContact CE2-CD2 3.97Å; F571-W582 AromaticContact CE2-CE3 3.93Å; F571-W582 HydrophobicContact CE2-CE3 3.93Å; F571-W582 HydrophobicContact CE2-CH2 4.46Å; F571-W582 HydrophobicContact CE2-CZ3 4.18Å; F571-W582 HydrophobicContact CZ-CD2 4.48Å; F571-W582 AromaticContact CZ-CE3 4Å; F571-W582 HydrophobicContact CZ-CE3 4Å; F571-W582 HydrophobicContact CZ-CH2 4.24Å; F571-W582 AromaticContact CZ-CZ3 3.86Å; F571-W582 HydrophobicContact CZ-CZ3 3.86Å; F571-G602 WeakPolarHBondContact O-CA 3.33Å; F571-L605 HydrophobicContact CE1-CB 4.26Å; F571-L605 HydrophobicContact CE1-CD1 4.46Å; F571-L605 HydrophobicContact CZ-CD1 4.13Å; F571-L606 HydrophobicContact CD1-CD1 4Å; F571-L606 HydrophobicContact CD1-CD2 3.93Å; F571-L606 HydrophobicContact CD1-CG 3.79Å; F571-L606 HydrophobicContact CE1-CD2 4.36Å; F571-L606 HydrophobicContact CE1-CG 4.23Å; F571-L632 HydrophobicContact CD1-CD2 4.36Å; F571-L632 HydrophobicContact CE1-CD2 3.49Å; F571-L632 VanDerWaalsContact CE1-CD2 3.49Å; F571-L632 HydrophobicContact CZ-CD2 3.85Å; F571-L635 HydrophobicContact CB-CB 4.29Å; F571-L635 HydrophobicContact CB-CD2 4.44Å; F571-L635 HydrophobicContact CD1-CD1 4.46Å; F571-L635 HydrophobicContact CD2-CD1 3.69Å; F571-L635 HydrophobicContact CD2-CD2 4.28Å; F571-L635 HydrophobicContact CD2-CG 4.45Å; F571-L635 HydrophobicContact CE2-CD1 3.75Å; F571-L635 HydrophobicContact CG-CB 4.29Å; F571-L635 HydrophobicContact CG-CD1 4.05Å; F571-L635 HydrophobicContact CZ-CD1 4.17Å
572	A	89.9	Confident	75.1	Confident	27 Å²	27	87.1 Å²	87.1	22%	0.223	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-44.3	-38	170.6	0	0	0	0	0	114.9	P570 S601 Q603 L606	P570-A572 PolarHBondContact O-N 3.33Å; A572-S601 PolarHBondContact O-OG 2.88Å; A572-Q603 WeakPolarHBondContact O-CB 3.37Å; A572-Q603 PolarHBondContact O-N 3.15Å; A572-L606 HydrophobicContact CB-CD1 3.95Å
573	R	91	Very high	77.8	Confident	197 Å²	197	76.3 Å²	76.3	74%	0.743	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-91.7	-7.1	-176.4	-61.2	-175.3	-175.1	167.8	3.3	114	P570 F571 S575	P570-R573 HydrophobicContact CG-CG 4.3Å; P570-R573 PolarHBondContact O-N 2.83Å; F571-R573 PolarHBondContact O-N 3.47Å; R573-S575 PolarHBondContact O-N 3.34Å
574	W	92.6	Very high	80.6	Confident	47 Å²	47	75.9 Å²	75.9	18%	0.178	39%	0.394	C	S	.	.			trans	-61.3	136.9	-178.1	-72.1	15.2	0	0	0	110.9	A569 F571 Q578 V579 W582 S601 G602	A569-W574 PolarHBondContact O-NE1 3.38Å; F571-W574 AromaticContact CD2-CD2 3.64Å; F571-W574 HydrophobicContact CD2-CD2 3.64Å; F571-W574 AromaticContact CD2-CE3 3.4Å; F571-W574 HydrophobicContact CD2-CE3 3.4Å; F571-W574 HydrophobicContact CD2-CG 4.28Å; F571-W574 HydrophobicContact CD2-CH2 4.06Å; F571-W574 HydrophobicContact CD2-CZ2 4.27Å; F571-W574 AromaticContact CD2-CZ3 3.62Å; F571-W574 HydrophobicContact CD2-CZ3 3.62Å; F571-W574 HydrophobicContact CE2-CD2 4.22Å; F571-W574 AromaticContact CE2-CE3 3.56Å; F571-W574 HydrophobicContact CE2-CE3 3.56Å; F571-W574 AromaticContact CE2-CZ3 3.76Å; F571-W574 HydrophobicContact CE2-CZ3 3.76Å; F571-W574 HydrophobicContact CG-CD2 4.44Å; F571-W574 WeakPolarHBondContact O-CB 3.46Å; F571-W574 PolarHBondContact O-N 3.2Å; W574-Q578 HydrophobicContact CB-CB 4.24Å; W574-Q578 HydrophobicContact CE3-CB 4.42Å; W574-V579 HydrophobicContact CB-CG2 3.79Å; W574-W582 HydrophobicContact CE3-CB 4.46Å; W574-W582 HydrophobicContact CZ3-CB 3.84Å; W574-W582 AromaticContact CZ3-CD1 3.89Å; W574-W582 AromaticContact CZ3-CG 3.82Å; W574-W582 HydrophobicContact CZ3-CG 3.82Å; W574-S601 CarbonylContact O-C 3.49Å; W574-S601 VanDerWaalsContact O-CA 3.24Å; W574-S601 WeakPolarHBondContact O-CA 3.46Å; W574-S601 VanDerWaalsContact O-CB 3.29Å; W574-S601 WeakPolarHBondContact O-CB 3.43Å; W574-G602 PolarHBondContact O-N 2.92Å
575	S	93.6	Very high	83.4	Confident	52 Å²	52	75.9 Å²	75.9	36%	0.364	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-65.4	159.5	176.5	67.3	0	0	0	0	111.8	R573 D577 Q578 V579	R573-S575 PolarHBondContact O-N 3.34Å; S575-D577 PolarHBondContact O-N 3.46Å; S575-Q578 PolarHBondContact O-N 3.31Å; S575-Q578 WeakPolarHBondContact OG-CG 3.35Å; S575-Q578 PolarHBondContact OG-N 3.5Å; S575-Q578 PolarHBondContact OG-OE1 3.43Å; S575-V579 WeakPolarHBondContact O-CG2 3.47Å; S575-V579 PolarHBondContact O-N 2.76Å
576	K	94.1	Very high	85.8	Confident	55 Å²	55	69.7 Å²	69.7	24%	0.239	36%	0.356	C	S	.	.	H	α-helix	trans	-50	-40.6	176.6	-175.5	170.4	-175.7	137.3	0	113.5	C580 R596 V597 I599	K576-C580 PolarHBondContact O-N 3.03Å; K576-C580 VanDerWaalsContact O-N 3.14Å; K576-C580 PolarHBondContact O-SG 3.12Å; K576-R596 WeakPolarHBondContact CE-O 3.28Å; K576-R596 PolarHBondContact NZ-O 3Å; K576-V597 PolarHBondContact NZ-O 3.33Å; K576-I599 VanDerWaalsContact CD-O 3.22Å; K576-I599 WeakPolarHBondContact CD-O 3.48Å; K576-I599 WeakPolarHBondContact CE-O 3.34Å; K576-I599 PolarHBondContact NZ-O 3.35Å
577	D	93.4	Very high	88.4	Confident	78 Å²	78	63.2 Å²	63.2	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-73.3	-47.3	179.5	-69	-73.6	0	0	0	112	S575 V579 C580 D581 R596	S575-D577 PolarHBondContact O-N 3.46Å; D577-V579 PolarHBondContact O-N 2.63Å; D577-C580 WeakPolarHBondContact O-CA 3.38Å; D577-C580 WeakPolarHBondContact O-CB 3.49Å; D577-C580 PolarHBondContact O-N 3.44Å; D577-D581 PolarHBondContact O-N 3.39Å; D577-R596 IonicContact OD1-CZ 3.92Å; D577-R596 IonicContact OD1-NH1 3.55Å; D577-R596 PolarHBondContact OD1-NH1 3.38Å; D577-R596 IonicContact OD1-NH2 3.91Å; D577-R596 PolarHBondContact OD1-NH2 2.66Å
578	Q	94.1	Very high	90.7	Very high	58 Å²	58	56.2 Å²	56.2	27%	0.271	29%	0.286	S	S	.	.	H	α-helix	trans	-54.9	-38.7	173.9	-73.5	163.6	-52.4	0	0	112.5	W574 S575 W582	W574-Q578 HydrophobicContact CB-CB 4.24Å; W574-Q578 HydrophobicContact CE3-CB 4.42Å; S575-Q578 PolarHBondContact O-N 3.31Å; S575-Q578 WeakPolarHBondContact OG-CG 3.35Å; S575-Q578 PolarHBondContact OG-N 3.5Å; S575-Q578 PolarHBondContact OG-OE1 3.43Å; Q578-W582 VanDerWaalsContact O-CB 3.26Å; Q578-W582 WeakPolarHBondContact O-CB 3.4Å; Q578-W582 PolarHBondContact O-N 2.98Å
579	V	94.1	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.3	-34.6	175.7	176.9	0	0	0	0	112.2	F571 W574 S575 D577 L583 I599 L605	F571-V579 HydrophobicContact CE2-CG2 4.45Å; F571-V579 HydrophobicContact CZ-CG1 4.4Å; F571-V579 HydrophobicContact CZ-CG2 4.34Å; W574-V579 HydrophobicContact CB-CG2 3.79Å; S575-V579 WeakPolarHBondContact O-CG2 3.47Å; S575-V579 PolarHBondContact O-N 2.76Å; D577-V579 PolarHBondContact O-N 2.63Å; V579-L583 VanDerWaalsContact O-CB 3.28Å; V579-L583 WeakPolarHBondContact O-CB 3.31Å; V579-L583 PolarHBondContact O-N 3.43Å; V579-I599 HydrophobicContact CB-CG2 4.47Å; V579-I599 HydrophobicContact CG1-CD1 3.75Å; V579-I599 HydrophobicContact CG1-CG2 4.14Å; V579-L605 HydrophobicContact CG1-CD1 3.51Å; V579-L605 HydrophobicContact CG1-CG 4.42Å
580	C	95.2	Very high	93.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-44.3	174.3	-71.6	0	0	0	0	111.7	K576 D577 L583 Q584 V592	K576-C580 PolarHBondContact O-N 3.03Å; K576-C580 VanDerWaalsContact O-N 3.14Å; K576-C580 PolarHBondContact O-SG 3.12Å; D577-C580 WeakPolarHBondContact O-CA 3.38Å; D577-C580 WeakPolarHBondContact O-CB 3.49Å; D577-C580 PolarHBondContact O-N 3.44Å; C580-L583 PolarHBondContact O-N 3.2Å; C580-Q584 PolarHBondContact O-N 2.94Å; C580-V592 HydrophobicContact CB-CG1 3.85Å; C580-V592 WeakPolarHBondContact O-CG2 3.3Å
581	D	94.8	Very high	93.5	Very high	90 Å²	90	50.9 Å²	50.9	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-45.9	-179.8	-63	-21	0	0	0	110.2	D577 L583 Q584 E585	D577-D581 PolarHBondContact O-N 3.39Å; D581-L583 PolarHBondContact O-N 3.31Å; D581-Q584 CarbonylContact O-C 3.58Å; D581-Q584 WeakPolarHBondContact O-CA 3.34Å; D581-Q584 WeakPolarHBondContact O-CB 3.28Å; D581-Q584 PolarHBondContact O-N 2.96Å; D581-E585 PolarHBondContact O-N 3.33Å
582	W	94.2	Very high	93.8	Very high	18 Å²	18	51.2 Å²	51.2	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-43.7	171.4	171.4	79.5	0	0	0	112.9	F571 W574 Q578 Q584 E585 Q586 L605 L628 A631 L632 L635	F571-W582 AromaticContact CE2-CD2 3.97Å; F571-W582 HydrophobicContact CE2-CD2 3.97Å; F571-W582 AromaticContact CE2-CE3 3.93Å; F571-W582 HydrophobicContact CE2-CE3 3.93Å; F571-W582 HydrophobicContact CE2-CH2 4.46Å; F571-W582 HydrophobicContact CE2-CZ3 4.18Å; F571-W582 HydrophobicContact CZ-CD2 4.48Å; F571-W582 AromaticContact CZ-CE3 4Å; F571-W582 HydrophobicContact CZ-CE3 4Å; F571-W582 HydrophobicContact CZ-CH2 4.24Å; F571-W582 AromaticContact CZ-CZ3 3.86Å; F571-W582 HydrophobicContact CZ-CZ3 3.86Å; W574-W582 HydrophobicContact CE3-CB 4.46Å; W574-W582 HydrophobicContact CZ3-CB 3.84Å; W574-W582 AromaticContact CZ3-CD1 3.89Å; W574-W582 AromaticContact CZ3-CG 3.82Å; W574-W582 HydrophobicContact CZ3-CG 3.82Å; Q578-W582 VanDerWaalsContact O-CB 3.26Å; Q578-W582 WeakPolarHBondContact O-CB 3.4Å; Q578-W582 PolarHBondContact O-N 2.98Å; W582-Q584 PolarHBondContact O-N 3.06Å; W582-E585 WeakPolarHBondContact O-CB 3.47Å; W582-E585 PolarHBondContact O-N 3.23Å; W582-E585 VanDerWaalsContact O-N 3.12Å; W582-Q586 HydrophobicContact CD2-CG 4.09Å; W582-Q586 HydrophobicContact CH2-CG 4.34Å; W582-Q586 HydrophobicContact CZ2-CG 3.76Å; W582-Q586 WeakPolarHBondContact O-CG 3.39Å; W582-Q586 PolarHBondContact O-N 2.93Å; W582-L605 HydrophobicContact CZ3-CD1 4.18Å; W582-L628 HydrophobicContact CH2-CD1 3.77Å; W582-L628 HydrophobicContact CZ3-CD1 3.85Å; W582-A631 HydrophobicContact CH2-CB 4.24Å; W582-A631 HydrophobicContact CZ2-CB 3.99Å; W582-L632 HydrophobicContact CH2-CD2 4.16Å; W582-L632 HydrophobicContact CH2-CG 4.47Å; W582-L635 HydrophobicContact CH2-CD1 3.92Å; W582-L635 HydrophobicContact CZ2-CD1 3.3Å
583	L	95.1	Very high	93.9	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-31	177.2	-171.3	68.4	0	0	0	111.6	V579 C580 D581 L588 G589 V592 A595 L628	V579-L583 VanDerWaalsContact O-CB 3.28Å; V579-L583 WeakPolarHBondContact O-CB 3.31Å; V579-L583 PolarHBondContact O-N 3.43Å; C580-L583 PolarHBondContact O-N 3.2Å; D581-L583 PolarHBondContact O-N 3.31Å; L583-L588 HydrophobicContact CD1-CB 3.65Å; L583-L588 HydrophobicContact CD1-CD1 3.85Å; L583-L588 HydrophobicContact CD1-CG 4.41Å; L583-L588 HydrophobicContact CG-CB 3.94Å; L583-L588 CarbonylContact O-C 3.51Å; L583-L588 WeakPolarHBondContact O-CA 3.33Å; L583-L588 WeakPolarHBondContact O-CB 3.43Å; L583-L588 PolarHBondContact O-N 3.41Å; L583-G589 PolarHBondContact O-N 2.87Å; L583-V592 HydrophobicContact CB-CG2 4.17Å; L583-V592 HydrophobicContact CD2-CG2 4.04Å; L583-V592 HydrophobicContact CG-CG2 4.26Å; L583-A595 HydrophobicContact CD2-CB 3.82Å; L583-L628 HydrophobicContact CD1-CD1 3.95Å
584	Q	94.4	Very high	94.1	Very high	125 Å²	125	50.7 Å²	50.7	58%	0.584	26%	0.262	S	S	*	.	I	π-helix	trans	-71.8	-41.4	171.2	-175.5	169.2	-26.7	0	0	112.4	C580 D581 W582 Q586 G587 V592	C580-Q584 PolarHBondContact O-N 2.94Å; D581-Q584 CarbonylContact O-C 3.58Å; D581-Q584 WeakPolarHBondContact O-CA 3.34Å; D581-Q584 WeakPolarHBondContact O-CB 3.28Å; D581-Q584 PolarHBondContact O-N 2.96Å; W582-Q584 PolarHBondContact O-N 3.06Å; Q584-Q586 VanDerWaalsContact C-N 3.33Å; Q584-Q586 PolarHBondContact O-N 3.45Å; Q584-G587 WeakPolarHBondContact O-CA 3.3Å; Q584-G587 PolarHBondContact O-N 3.07Å; Q584-V592 HydrophobicContact CB-CG2 4.37Å
585	E	92.8	Very high	94.1	Very high	117 Å²	117	48.5 Å²	48.5	55%	0.547	25%	0.254	S	S	.	.	I	π-helix	trans	-61.7	-37.4	173.7	-69.1	-177.9	151.5	0	0	112.7	D581 W582 G587	D581-E585 PolarHBondContact O-N 3.33Å; W582-E585 WeakPolarHBondContact O-CB 3.47Å; W582-E585 PolarHBondContact O-N 3.23Å; W582-E585 VanDerWaalsContact O-N 3.12Å; E585-G587 PolarHBondContact O-N 3.18Å
586	Q	92.8	Very high	94.1	Very high	36 Å²	36	50.9 Å²	50.9	17%	0.168	26%	0.255	C	S	.	.	I	π-helix	trans	-65.5	-0.3	170.9	-63.1	-52.8	-70.5	0	0	113.1	W582 Q584 L588 K627	W582-Q586 HydrophobicContact CD2-CG 4.09Å; W582-Q586 HydrophobicContact CH2-CG 4.34Å; W582-Q586 HydrophobicContact CZ2-CG 3.76Å; W582-Q586 WeakPolarHBondContact O-CG 3.39Å; W582-Q586 PolarHBondContact O-N 2.93Å; Q584-Q586 VanDerWaalsContact C-N 3.33Å; Q584-Q586 PolarHBondContact O-N 3.45Å; Q586-L588 HydrophobicContact CB-CD1 4.44Å; Q586-L588 HydrophobicContact CB-CG 4.46Å; Q586-L588 PolarHBondContact O-N 2.94Å; Q586-K627 WeakPolarHBondContact O-CE 3.22Å
587	G	94.3	Very high	94.1	Very high	9 Å²	9	53.4 Å²	53.4	9%	0.093	28%	0.275	C	S	.	.	I	π-helix	trans	76.1	7.8	-177.2	0	0	0	0	0	114.2	Q584 E585 G589 R671	Q584-G587 WeakPolarHBondContact O-CA 3.3Å; Q584-G587 PolarHBondContact O-N 3.07Å; E585-G587 PolarHBondContact O-N 3.18Å; G587-G589 VanDerWaalsContact C-N 3.33Å; G587-R671 PolarHBondContact O-NE 2.98Å; G587-R671 VanDerWaalsContact O-NE 3.16Å
588	L	96	Very high	94.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.264	C	S	.	.	I	π-helix	trans	-95.4	18.7	-179.5	-66.5	176.4	0	0	0	112.5	L583 Q586 L590 Y591 H624 K627 L628	L583-L588 HydrophobicContact CD1-CB 3.65Å; L583-L588 HydrophobicContact CD1-CD1 3.85Å; L583-L588 HydrophobicContact CD1-CG 4.41Å; L583-L588 HydrophobicContact CG-CB 3.94Å; L583-L588 CarbonylContact O-C 3.51Å; L583-L588 WeakPolarHBondContact O-CA 3.33Å; L583-L588 WeakPolarHBondContact O-CB 3.43Å; L583-L588 PolarHBondContact O-N 3.41Å; Q586-L588 HydrophobicContact CB-CD1 4.44Å; Q586-L588 HydrophobicContact CB-CG 4.46Å; Q586-L588 PolarHBondContact O-N 2.94Å; L588-L590 PolarHBondContact O-N 3.45Å; L588-Y591 HydrophobicContact CB-CD2 4.21Å; L588-Y591 HydrophobicContact CD2-CD2 4.22Å; L588-Y591 HydrophobicContact CD2-CE2 4.05Å; L588-Y591 PolarHBondContact O-N 2.82Å; L588-H624 HydrophobicContact CD2-CB 3.77Å; L588-K627 HydrophobicContact CD1-CD 4.17Å; L588-K627 HydrophobicContact CD2-CD 4.19Å; L588-K627 HydrophobicContact CG-CD 4.17Å; L588-L628 HydrophobicContact CD1-CB 4.05Å; L588-L628 HydrophobicContact CD1-CD1 4.39Å
589	G	93.3	Very high	94.2	Very high	27 Å²	27	49.2 Å²	49.2	28%	0.278	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-51.3	-26.8	-176.7	0	0	0	0	0	115.6	L583 G587 Y591 V592	L583-G589 PolarHBondContact O-N 2.87Å; G587-G589 VanDerWaalsContact C-N 3.33Å; G589-Y591 PolarHBondContact O-N 3.37Å; G589-V592 WeakPolarHBondContact O-CB 3.28Å; G589-V592 PolarHBondContact O-N 3.4Å; G589-V592 VanDerWaalsContact O-N 3.09Å
590	L	93.3	Very high	94	Very high	103 Å²	103	56.2 Å²	56.2	54%	0.539	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22	174.6	59.9	141.5	0	0	0	114.3	L588	L588-L590 PolarHBondContact O-N 3.45Å
591	Y	95.6	Very high	93.9	Very high	19 Å²	19	57.9 Å²	57.9	8%	0.075	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-94.7	-7	177.6	-56.3	-63.4	0	0	0	113.5	L588 G589 N593 M594 A595 L617 I619 H624	L588-Y591 HydrophobicContact CB-CD2 4.21Å; L588-Y591 HydrophobicContact CD2-CD2 4.22Å; L588-Y591 HydrophobicContact CD2-CE2 4.05Å; L588-Y591 PolarHBondContact O-N 2.82Å; G589-Y591 PolarHBondContact O-N 3.37Å; Y591-N593 PolarHBondContact O-N 3.42Å; Y591-M594 PolarHBondContact O-N 3.34Å; Y591-A595 PolarHBondContact O-N 3.25Å; Y591-L617 WeakPolarHBondContact CD1-O 3.5Å; Y591-I619 HydrophobicContact CD1-CG1 3.86Å; Y591-I619 HydrophobicContact CD2-CD1 4.41Å; Y591-I619 HydrophobicContact CD2-CG1 4.07Å; Y591-I619 HydrophobicContact CE1-CB 4.28Å; Y591-I619 HydrophobicContact CE1-CG1 3.85Å; Y591-I619 HydrophobicContact CE2-CG1 4.05Å; Y591-I619 HydrophobicContact CE2-CG2 4.27Å; Y591-I619 HydrophobicContact CG-CG1 3.98Å; Y591-H624 HydrophobicContact CE2-CB 3.97Å; Y591-H624 AromaticContact CE2-ND1 3.64Å; Y591-H624 AromaticContact CZ-ND1 3.82Å; Y591-H624 PolarHBondContact OH-ND1 2.9Å; Y591-H624 VanDerWaalsContact OH-ND1 3.09Å
592	V	94.8	Very high	93.7	Very high	15 Å²	15	53.6 Å²	53.6	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-32.3	-175.5	168.5	0	0	0	0	112.6	C580 L583 Q584 G589 M594 A595 R596	C580-V592 HydrophobicContact CB-CG1 3.85Å; C580-V592 WeakPolarHBondContact O-CG2 3.3Å; L583-V592 HydrophobicContact CB-CG2 4.17Å; L583-V592 HydrophobicContact CD2-CG2 4.04Å; L583-V592 HydrophobicContact CG-CG2 4.26Å; Q584-V592 HydrophobicContact CB-CG2 4.37Å; G589-V592 WeakPolarHBondContact O-CB 3.28Å; G589-V592 PolarHBondContact O-N 3.4Å; G589-V592 VanDerWaalsContact O-N 3.09Å; V592-M594 VanDerWaalsContact C-N 3.35Å; V592-M594 PolarHBondContact O-N 2.94Å; V592-A595 PolarHBondContact O-N 3.49Å; V592-R596 WeakPolarHBondContact O-CB 3.19Å; V592-R596 PolarHBondContact O-N 2.98Å
593	N	93.9	Very high	93.6	Very high	120 Å²	120	56 Å²	56	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-65	-36.3	176.8	-70.8	-30.7	0	0	0	113	Y591	Y591-N593 PolarHBondContact O-N 3.42Å
594	M	93.9	Very high	93.5	Very high	93 Å²	93	57.5 Å²	57.5	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-80	-40.2	176.4	-59.5	-63.9	92.4	0	0	110.9	Y591 V592 R596 V597 W598	Y591-M594 PolarHBondContact O-N 3.34Å; V592-M594 VanDerWaalsContact C-N 3.35Å; V592-M594 PolarHBondContact O-N 2.94Å; M594-R596 VanDerWaalsContact C-N 3.26Å; M594-R596 PolarHBondContact O-N 2.99Å; M594-V597 WeakPolarHBondContact O-CB 3.06Å; M594-V597 PolarHBondContact O-N 2.65Å; M594-W598 PolarHBondContact O-N 2.95Å
595	A	93.3	Very high	93.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-53.2	-43.8	170.6	0	0	0	0	0	111.8	L583 Y591 V592 V597 W598 I599 L617	L583-A595 HydrophobicContact CD2-CB 3.82Å; Y591-A595 PolarHBondContact O-N 3.25Å; V592-A595 PolarHBondContact O-N 3.49Å; A595-V597 PolarHBondContact O-N 2.97Å; A595-W598 PolarHBondContact O-N 3.24Å; A595-I599 HydrophobicContact CB-CD1 3.66Å; A595-I599 HydrophobicContact CB-CG1 4.26Å; A595-I599 VanDerWaalsContact O-CB 3.26Å; A595-I599 WeakPolarHBondContact O-CB 3.41Å; A595-I599 WeakPolarHBondContact O-CG1 3.5Å; A595-I599 PolarHBondContact O-N 3.16Å; A595-L617 HydrophobicContact CB-CD2 3.74Å
596	R	94	Very high	93.2	Very high	103 Å²	103	49 Å²	49	39%	0.389	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-12	177.2	-172.7	169.6	-73.3	-80.1	-0.1	113.8	K576 D577 V592 M594	K576-R596 WeakPolarHBondContact CE-O 3.28Å; K576-R596 PolarHBondContact NZ-O 3Å; D577-R596 IonicContact OD1-CZ 3.92Å; D577-R596 IonicContact OD1-NH1 3.55Å; D577-R596 PolarHBondContact OD1-NH1 3.38Å; D577-R596 IonicContact OD1-NH2 3.91Å; D577-R596 PolarHBondContact OD1-NH2 2.66Å; V592-R596 WeakPolarHBondContact O-CB 3.19Å; V592-R596 PolarHBondContact O-N 2.98Å; M594-R596 VanDerWaalsContact C-N 3.26Å; M594-R596 PolarHBondContact O-N 2.99Å
597	V	94	Very high	93.1	Very high	108 Å²	108	54.1 Å²	54.1	66%	0.655	28%	0.279	S	S	*	.	H	α-helix	trans	-88	-57.3	166.4	179.1	0	0	0	0	110	K576 M594 A595	K576-V597 PolarHBondContact NZ-O 3.33Å; M594-V597 WeakPolarHBondContact O-CB 3.06Å; M594-V597 PolarHBondContact O-N 2.65Å; A595-V597 PolarHBondContact O-N 2.97Å
598	W	93.9	Very high	92.9	Very high	48 Å²	48	54.8 Å²	54.8	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-81.8	-36.8	-166.8	172.5	64.2	0	0	0	115.9	M594 A595 H600 T604 L605 A608 D612 L613 E616 L617	M594-W598 PolarHBondContact O-N 2.95Å; A595-W598 PolarHBondContact O-N 3.24Å; W598-H600 PolarHBondContact O-CE1 2.79Å; W598-H600 VanDerWaalsContact O-CE1 3.3Å; W598-H600 PolarHBondContact O-ND1 3.24Å; W598-T604 HydrophobicContact CD2-CG2 4.39Å; W598-T604 HydrophobicContact CZ2-CG2 4.2Å; W598-L605 HydrophobicContact CH2-CD2 4.3Å; W598-L605 HydrophobicContact CZ3-CD2 3.71Å; W598-A608 HydrophobicContact CH2-CB 3.65Å; W598-A608 HydrophobicContact CZ2-CB 4.23Å; W598-D612 HydrophobicContact CH2-CB 4.23Å; W598-D612 HydrophobicContact CZ2-CB 3.94Å; W598-L613 HydrophobicContact CH2-CD2 4.18Å; W598-L613 HydrophobicContact CZ3-CD2 4.26Å; W598-E616 HydrophobicContact CB-CB 4.29Å; W598-E616 HydrophobicContact CD2-CB 3.45Å; W598-E616 VanDerWaalsContact CD2-CB 3.45Å; W598-E616 HydrophobicContact CD2-CG 4.09Å; W598-E616 HydrophobicContact CE3-CB 3.86Å; W598-E616 HydrophobicContact CG-CB 3.66Å; W598-E616 HydrophobicContact CG-CG 4.24Å; W598-E616 HydrophobicContact CH2-CB 4.41Å; W598-E616 HydrophobicContact CZ2-CB 4.09Å; W598-E616 HydrophobicContact CZ2-CG 4.09Å; W598-E616 HydrophobicContact CZ3-CB 4.32Å; W598-L617 HydrophobicContact CE3-CD2 3.69Å; W598-L617 HydrophobicContact CE3-CG 3.86Å; W598-L617 HydrophobicContact CZ3-CD1 4.03Å; W598-L617 HydrophobicContact CZ3-CD2 3.95Å; W598-L617 HydrophobicContact CZ3-CG 3.68Å
599	I	94.1	Very high	92.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.			trans	-75.5	139.1	-174.9	-58.1	-179.6	0	0	0	110.5	K576 V579 A595 S601 L605	K576-I599 VanDerWaalsContact CD-O 3.22Å; K576-I599 WeakPolarHBondContact CD-O 3.48Å; K576-I599 WeakPolarHBondContact CE-O 3.34Å; K576-I599 PolarHBondContact NZ-O 3.35Å; V579-I599 HydrophobicContact CB-CG2 4.47Å; V579-I599 HydrophobicContact CG1-CD1 3.75Å; V579-I599 HydrophobicContact CG1-CG2 4.14Å; A595-I599 HydrophobicContact CB-CD1 3.66Å; A595-I599 HydrophobicContact CB-CG1 4.26Å; A595-I599 VanDerWaalsContact O-CB 3.26Å; A595-I599 WeakPolarHBondContact O-CB 3.41Å; A595-I599 WeakPolarHBondContact O-CG1 3.5Å; A595-I599 PolarHBondContact O-N 3.16Å; I599-S601 WeakPolarHBondContact CG2-O 3.33Å; I599-L605 HydrophobicContact CD1-CD1 3.81Å; I599-L605 HydrophobicContact CD1-CD2 3.79Å; I599-L605 HydrophobicContact CD1-CG 3.74Å; I599-L605 HydrophobicContact CG1-CD2 4.32Å; I599-L605 HydrophobicContact CG1-CG 4.39Å
600	H	91.6	Very high	92.4	Very high	146 Å²	146	60.8 Å²	60.8	68%	0.676	31%	0.31	S	S	*	.	S	Bend	trans	-112.6	-41.5	174.4	-64.8	70.6	0	0	0	111.2	W598 T604	W598-H600 PolarHBondContact O-CE1 2.79Å; W598-H600 VanDerWaalsContact O-CE1 3.3Å; W598-H600 PolarHBondContact O-ND1 3.24Å; H600-T604 PolarHBondContact N-OG1 3.37Å
601	S	92.5	Very high	92.2	Very high	36 Å²	36	62.5 Å²	62.5	25%	0.252	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-151	174.7	168.1	67.5	0	0	0	0	110	A572 W574 I599 Q603 T604	A572-S601 PolarHBondContact O-OG 2.88Å; W574-S601 CarbonylContact O-C 3.49Å; W574-S601 VanDerWaalsContact O-CA 3.24Å; W574-S601 WeakPolarHBondContact O-CA 3.46Å; W574-S601 VanDerWaalsContact O-CB 3.29Å; W574-S601 WeakPolarHBondContact O-CB 3.43Å; I599-S601 WeakPolarHBondContact CG2-O 3.33Å; S601-Q603 PolarHBondContact O-N 3Å; S601-Q603 VanDerWaalsContact O-N 3.13Å; S601-T604 PolarHBondContact N-OG1 2.81Å; S601-T604 VanDerWaalsContact O-CB 3.29Å; S601-T604 WeakPolarHBondContact O-CB 3.39Å; S601-T604 PolarHBondContact O-N 3.05Å; S601-T604 PolarHBondContact O-OG1 2.81Å; S601-T604 VanDerWaalsContact O-OG1 3.14Å
602	G	91.1	Very high	92	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-25.6	177.2	0	0	0	0	0	114	F571 W574 T604 L605 L606	F571-G602 WeakPolarHBondContact O-CA 3.33Å; W574-G602 PolarHBondContact O-N 2.92Å; G602-T604 PolarHBondContact O-N 3.06Å; G602-L605 PolarHBondContact O-N 2.95Å; G602-L606 PolarHBondContact O-N 3.04Å; G602-L606 VanDerWaalsContact O-N 3.12Å
603	Q	91	Very high	91.8	Very high	68 Å²	68	62.9 Å²	62.9	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-56.7	-32.7	171.1	-169.9	65.9	9.7	0	0	112.9	A572 S601 L605 L606 Q607	A572-Q603 WeakPolarHBondContact O-CB 3.37Å; A572-Q603 PolarHBondContact O-N 3.15Å; S601-Q603 PolarHBondContact O-N 3Å; S601-Q603 VanDerWaalsContact O-N 3.13Å; Q603-L605 VanDerWaalsContact C-N 3.26Å; Q603-L605 PolarHBondContact O-N 3.23Å; Q603-L606 PolarHBondContact O-N 3.11Å; Q603-Q607 HydrophobicContact CG-CG 4.33Å; Q603-Q607 VanDerWaalsContact NE2-CD 3.28Å; Q603-Q607 WeakPolarHBondContact O-CB 3.22Å; Q603-Q607 PolarHBondContact O-N 3.3Å; Q603-Q607 VanDerWaalsContact O-N 3.08Å
604	T	92.3	Very high	91.7	Very high	33 Å²	33	60.7 Å²	60.7	20%	0.202	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-35.9	176.4	-48.2	0	0	0	0	111.6	W598 H600 S601 G602 A608	W598-T604 HydrophobicContact CD2-CG2 4.39Å; W598-T604 HydrophobicContact CZ2-CG2 4.2Å; H600-T604 PolarHBondContact N-OG1 3.37Å; S601-T604 PolarHBondContact N-OG1 2.81Å; S601-T604 VanDerWaalsContact O-CB 3.29Å; S601-T604 WeakPolarHBondContact O-CB 3.39Å; S601-T604 PolarHBondContact O-N 3.05Å; S601-T604 PolarHBondContact O-OG1 2.81Å; S601-T604 VanDerWaalsContact O-OG1 3.14Å; G602-T604 PolarHBondContact O-N 3.06Å; T604-A608 PolarHBondContact O-N 3.05Å
605	L	91.8	Very high	91.7	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-79.2	-40.6	176.2	-71.5	-179.5	0	0	0	112.6	F571 V579 W582 W598 I599 G602 Q603 Q607 A608 L613 L617 L632	F571-L605 HydrophobicContact CE1-CB 4.26Å; F571-L605 HydrophobicContact CE1-CD1 4.46Å; F571-L605 HydrophobicContact CZ-CD1 4.13Å; V579-L605 HydrophobicContact CG1-CD1 3.51Å; V579-L605 HydrophobicContact CG1-CG 4.42Å; W582-L605 HydrophobicContact CZ3-CD1 4.18Å; W598-L605 HydrophobicContact CH2-CD2 4.3Å; W598-L605 HydrophobicContact CZ3-CD2 3.71Å; I599-L605 HydrophobicContact CD1-CD1 3.81Å; I599-L605 HydrophobicContact CD1-CD2 3.79Å; I599-L605 HydrophobicContact CD1-CG 3.74Å; I599-L605 HydrophobicContact CG1-CD2 4.32Å; I599-L605 HydrophobicContact CG1-CG 4.39Å; G602-L605 PolarHBondContact O-N 2.95Å; Q603-L605 VanDerWaalsContact C-N 3.26Å; Q603-L605 PolarHBondContact O-N 3.23Å; L605-Q607 PolarHBondContact O-N 3.09Å; L605-A608 WeakPolarHBondContact O-CB 3.32Å; L605-A608 PolarHBondContact O-N 3.41Å; L605-A608 VanDerWaalsContact O-N 3.14Å; L605-L613 HydrophobicContact CD2-CD2 3.89Å; L605-L617 HydrophobicContact CD2-CD1 4.12Å; L605-L632 HydrophobicContact CB-CD1 3.97Å; L605-L632 HydrophobicContact CB-CD2 3.67Å; L605-L632 HydrophobicContact CB-CG 4.5Å; L605-L632 HydrophobicContact CD1-CD2 4.21Å
606	L	90.6	Very high	91.7	Very high	61 Å²	61	66.3 Å²	66.3	32%	0.319	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-26.1	178	-66.5	177.1	0	0	0	113.1	F571 A572 G602 Q603 L632	F571-L606 HydrophobicContact CD1-CD1 4Å; F571-L606 HydrophobicContact CD1-CD2 3.93Å; F571-L606 HydrophobicContact CD1-CG 3.79Å; F571-L606 HydrophobicContact CE1-CD2 4.36Å; F571-L606 HydrophobicContact CE1-CG 4.23Å; A572-L606 HydrophobicContact CB-CD1 3.95Å; G602-L606 PolarHBondContact O-N 3.04Å; G602-L606 VanDerWaalsContact O-N 3.12Å; Q603-L606 PolarHBondContact O-N 3.11Å; L606-L632 HydrophobicContact CD2-CD2 4.21Å
607	Q	90.1	Very high	91.6	Very high	143 Å²	143	61.5 Å²	61.5	67%	0.668	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.8	177	-65.5	-174.4	-36.5	0	0	113.9	Q603 L605	Q603-Q607 HydrophobicContact CG-CG 4.33Å; Q603-Q607 VanDerWaalsContact NE2-CD 3.28Å; Q603-Q607 WeakPolarHBondContact O-CB 3.22Å; Q603-Q607 PolarHBondContact O-N 3.3Å; Q603-Q607 VanDerWaalsContact O-N 3.08Å; L605-Q607 PolarHBondContact O-N 3.09Å
608	A	90.3	Very high	91.5	Very high	24 Å²	24	57.9 Å²	57.9	20%	0.198	29%	0.29	C	S	.	.			trans	-70.8	134.3	-178.4	0	0	0	0	0	111.6	W598 T604 L605 D612 L613	W598-A608 HydrophobicContact CH2-CB 3.65Å; W598-A608 HydrophobicContact CZ2-CB 4.23Å; T604-A608 PolarHBondContact O-N 3.05Å; L605-A608 WeakPolarHBondContact O-CB 3.32Å; L605-A608 PolarHBondContact O-N 3.41Å; L605-A608 VanDerWaalsContact O-N 3.14Å; A608-D612 HydrophobicContact CB-CB 4.42Å; A608-L613 HydrophobicContact CB-CD2 3.74Å; A608-L613 HydrophobicContact CB-CG 4.01Å
609	S	90.1	Very high	91.5	Very high	50 Å²	50	55.7 Å²	55.7	35%	0.35	28%	0.282	S	S	.	.			trans	-74.7	160.7	164.4	79.8	0	0	0	0	110.5	Q611 D612 L613	S609-Q611 PolarHBondContact O-N 2.98Å; S609-Q611 VanDerWaalsContact O-N 3.15Å; S609-Q611 PolarHBondContact OG-N 3.37Å; S609-D612 VanDerWaalsContact CB-OD2 3.22Å; S609-D612 WeakPolarHBondContact CB-OD2 3.31Å; S609-D612 PolarHBondContact N-OD2 2.99Å; S609-D612 PolarHBondContact O-N 3.28Å; S609-D612 PolarHBondContact OG-N 3.31Å; S609-D612 PolarHBondContact OG-OD2 3.15Å; S609-L613 PolarHBondContact O-N 2.93Å; S609-L613 VanDerWaalsContact O-N 3.09Å
610	Q	87.8	Confident	91.5	Very high	103 Å²	103	64.9 Å²	64.9	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-53.3	-34.9	173.2	-166.6	179.7	29.2	0	0	112.1	L613 E614 R625	Q610-L613 PolarHBondContact O-N 3.05Å; Q610-E614 WeakPolarHBondContact O-CG 3.32Å; Q610-E614 PolarHBondContact O-N 3.44Å; Q610-E614 VanDerWaalsContact O-N 3.12Å; Q610-R625 HydrophobicContact CG-CG 4.4Å
611	Q	89.5	Confident	91.5	Very high	139 Å²	139	60.8 Å²	60.8	65%	0.65	30%	0.303	S	S	*	.	H	α-helix	trans	-72.5	-25.6	177.6	-61.8	-176.8	5.5	0	0	113.3	S609 R615	S609-Q611 PolarHBondContact O-N 2.98Å; S609-Q611 VanDerWaalsContact O-N 3.15Å; S609-Q611 PolarHBondContact OG-N 3.37Å; Q611-R615 VanDerWaalsContact O-CB 3.22Å; Q611-R615 WeakPolarHBondContact O-CB 3.36Å; Q611-R615 PolarHBondContact O-N 3.27Å
612	D	91.9	Very high	91.6	Very high	37 Å²	37	63.2 Å²	63.2	20%	0.198	32%	0.318	C	S	.	.	H	α-helix	trans	-79.5	-39.5	175.4	-52.6	-51.5	0	0	0	110.4	W598 A608 S609 E614 R615 E616	W598-D612 HydrophobicContact CH2-CB 4.23Å; W598-D612 HydrophobicContact CZ2-CB 3.94Å; A608-D612 HydrophobicContact CB-CB 4.42Å; S609-D612 VanDerWaalsContact CB-OD2 3.22Å; S609-D612 WeakPolarHBondContact CB-OD2 3.31Å; S609-D612 PolarHBondContact N-OD2 2.99Å; S609-D612 PolarHBondContact O-N 3.28Å; S609-D612 PolarHBondContact OG-N 3.31Å; S609-D612 PolarHBondContact OG-OD2 3.15Å; D612-E614 PolarHBondContact O-N 3.36Å; D612-R615 PolarHBondContact O-N 3.37Å; D612-R615 IonicContact OD1-CZ 2.72Å; D612-R615 IonicContact OD1-NH1 3.62Å; D612-R615 PolarHBondContact OD1-NH1 3.07Å; D612-R615 IonicContact OD1-NH2 3.17Å; D612-R615 PolarHBondContact OD1-NH2 2.87Å; D612-E616 HydrophobicContact CB-CG 4.34Å; D612-E616 VanDerWaalsContact O-CB 3.29Å; D612-E616 WeakPolarHBondContact O-CB 3.31Å; D612-E616 WeakPolarHBondContact O-CG 3.36Å; D612-E616 PolarHBondContact O-N 2.89Å
613	L	90.9	Very high	91.9	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-27.4	169.4	-59.9	180	0	0	0	112.3	W598 L605 A608 S609 Q610 L617 I619 L628 L632	W598-L613 HydrophobicContact CH2-CD2 4.18Å; W598-L613 HydrophobicContact CZ3-CD2 4.26Å; L605-L613 HydrophobicContact CD2-CD2 3.89Å; A608-L613 HydrophobicContact CB-CD2 3.74Å; A608-L613 HydrophobicContact CB-CG 4.01Å; S609-L613 PolarHBondContact O-N 2.93Å; S609-L613 VanDerWaalsContact O-N 3.09Å; Q610-L613 PolarHBondContact O-N 3.05Å; L613-L617 HydrophobicContact CD2-CD1 3.82Å; L613-I619 WeakPolarHBondContact O-CB 3.38Å; L613-I619 WeakPolarHBondContact O-CG1 3.4Å; L613-L628 HydrophobicContact CD1-CD2 4.46Å; L613-L628 HydrophobicContact CD2-CD2 4Å; L613-L632 HydrophobicContact CD1-CD1 4.47Å
614	E	91.4	Very high	92.1	Very high	73 Å²	73	60.6 Å²	60.6	34%	0.341	31%	0.306	S	S	.	.	H	α-helix	trans	-75.4	-52	171.4	-76.3	179	-125.6	0	0	113	Q610 D612 G618 I619 R625	Q610-E614 WeakPolarHBondContact O-CG 3.32Å; Q610-E614 PolarHBondContact O-N 3.44Å; Q610-E614 VanDerWaalsContact O-N 3.12Å; D612-E614 PolarHBondContact O-N 3.36Å; E614-G618 CarbonylContact O-C 3.54Å; E614-G618 WeakPolarHBondContact O-CA 3.34Å; E614-G618 PolarHBondContact O-N 2.9Å; E614-G618 VanDerWaalsContact O-N 3.15Å; E614-I619 PolarHBondContact O-N 3.28Å; E614-R625 IonicContact OE1-CZ 2.66Å; E614-R625 VanDerWaalsContact OE1-CZ 3.23Å; E614-R625 IonicContact OE1-NE 2.79Å; E614-R625 PolarHBondContact OE1-NE 3.01Å; E614-R625 IonicContact OE1-NH1 2.84Å; E614-R625 PolarHBondContact OE1-NH1 3.13Å; E614-R625 IonicContact OE2-CZ 2.96Å; E614-R625 IonicContact OE2-NH1 2.7Å; E614-R625 PolarHBondContact OE2-NH1 3.33Å; E614-R625 VanDerWaalsContact OE2-NH1 3.15Å; E614-R625 IonicContact OE2-NH2 2.71Å; E614-R625 PolarHBondContact OE2-NH2 2.81Å
615	R	92.8	Very high	92.2	Very high	144 Å²	144	60.7 Å²	60.7	54%	0.543	30%	0.302	S	S	.	.	H	α-helix	trans	-79.1	-44.3	-168.8	-172.9	-179.2	69.8	-106.1	-3.5	113	Q611 D612	Q611-R615 VanDerWaalsContact O-CB 3.22Å; Q611-R615 WeakPolarHBondContact O-CB 3.36Å; Q611-R615 PolarHBondContact O-N 3.27Å; D612-R615 PolarHBondContact O-N 3.37Å; D612-R615 IonicContact OD1-CZ 2.72Å; D612-R615 IonicContact OD1-NH1 3.62Å; D612-R615 PolarHBondContact OD1-NH1 3.07Å; D612-R615 IonicContact OD1-NH2 3.17Å; D612-R615 PolarHBondContact OD1-NH2 2.87Å
616	E	93.7	Very high	92.4	Very high	68 Å²	68	62.2 Å²	62.2	32%	0.318	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-33.7	-169.7	-52.7	-64.2	157.4	0	0	112.3	W598 D612	W598-E616 HydrophobicContact CB-CB 4.29Å; W598-E616 HydrophobicContact CD2-CB 3.45Å; W598-E616 VanDerWaalsContact CD2-CB 3.45Å; W598-E616 HydrophobicContact CD2-CG 4.09Å; W598-E616 HydrophobicContact CE3-CB 3.86Å; W598-E616 HydrophobicContact CG-CB 3.66Å; W598-E616 HydrophobicContact CG-CG 4.24Å; W598-E616 HydrophobicContact CH2-CB 4.41Å; W598-E616 HydrophobicContact CZ2-CB 4.09Å; W598-E616 HydrophobicContact CZ2-CG 4.09Å; W598-E616 HydrophobicContact CZ3-CB 4.32Å; D612-E616 HydrophobicContact CB-CG 4.34Å; D612-E616 VanDerWaalsContact O-CB 3.29Å; D612-E616 WeakPolarHBondContact O-CB 3.31Å; D612-E616 WeakPolarHBondContact O-CG 3.36Å; D612-E616 PolarHBondContact O-N 2.89Å
617	L	92.4	Very high	92.7	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.1	172.1	-62.3	178.6	0	0	0	113.4	Y591 A595 W598 L605 L613 I619 L628	Y591-L617 WeakPolarHBondContact CD1-O 3.5Å; A595-L617 HydrophobicContact CB-CD2 3.74Å; W598-L617 HydrophobicContact CE3-CD2 3.69Å; W598-L617 HydrophobicContact CE3-CG 3.86Å; W598-L617 HydrophobicContact CZ3-CD1 4.03Å; W598-L617 HydrophobicContact CZ3-CD2 3.95Å; W598-L617 HydrophobicContact CZ3-CG 3.68Å; L605-L617 HydrophobicContact CD2-CD1 4.12Å; L613-L617 HydrophobicContact CD2-CD1 3.82Å; L617-I619 HydrophobicContact CB-CD1 3.92Å; L617-I619 HydrophobicContact CB-CG1 3.78Å; L617-I619 HydrophobicContact CD1-CD1 3.83Å; L617-L628 HydrophobicContact CD1-CD2 3.66Å
618	G	92.1	Very high	92.9	Very high	33 Å²	33	52.8 Å²	52.8	34%	0.34	26%	0.263	S	S	.	.			trans	74.2	25	-179.5	0	0	0	0	0	114.8	E614 K620	E614-G618 CarbonylContact O-C 3.54Å; E614-G618 WeakPolarHBondContact O-CA 3.34Å; E614-G618 PolarHBondContact O-N 2.9Å; E614-G618 VanDerWaalsContact O-N 3.15Å; G618-K620 PolarHBondContact O-N 3.39Å
619	I	94.6	Very high	93.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	27%	0.272	C	S	.	.			trans	-76.2	84.8	-172.6	-55	175.6	0	0	0	111.6	Y591 L613 E614 L617 H624 R625 L628	Y591-I619 HydrophobicContact CD1-CG1 3.86Å; Y591-I619 HydrophobicContact CD2-CD1 4.41Å; Y591-I619 HydrophobicContact CD2-CG1 4.07Å; Y591-I619 HydrophobicContact CE1-CB 4.28Å; Y591-I619 HydrophobicContact CE1-CG1 3.85Å; Y591-I619 HydrophobicContact CE2-CG1 4.05Å; Y591-I619 HydrophobicContact CE2-CG2 4.27Å; Y591-I619 HydrophobicContact CG-CG1 3.98Å; L613-I619 WeakPolarHBondContact O-CB 3.38Å; L613-I619 WeakPolarHBondContact O-CG1 3.4Å; E614-I619 PolarHBondContact O-N 3.28Å; L617-I619 HydrophobicContact CB-CD1 3.92Å; L617-I619 HydrophobicContact CB-CG1 3.78Å; L617-I619 HydrophobicContact CD1-CD1 3.83Å; I619-H624 HydrophobicContact CG2-CB 3.76Å; I619-R625 HydrophobicContact CG2-CB 3.91Å; I619-R625 PolarHBondContact O-NH2 2.89Å; I619-L628 HydrophobicContact CD1-CD2 3.68Å
620	K	92.3	Very high	93.3	Very high	192 Å²	192	54.1 Å²	54.1	84%	0.835	26%	0.26	S	S	*	.			trans	-69.3	-30	176.7	-64.3	-177.6	-177.4	178.5	0	114.3	G618 P622	G618-K620 PolarHBondContact O-N 3.39Å; K620-P622 WeakPolarHBondContact O-CD 3.49Å
621	Q	93.4	Very high	93.6	Very high	61 Å²	61	49.2 Å²	49.2	29%	0.285	24%	0.238	S	C	.	.	S	Bend	trans	-87	117.1	-175	-173	169.5	-9.2	0	0	110.2	L623 H624 R625 E669	Q621-L623 VanDerWaalsContact C-N 3.29Å; Q621-L623 PolarHBondContact O-N 2.97Å; Q621-H624 HydrophobicContact CB-CB 4.4Å; Q621-H624 VanDerWaalsContact CD-CE1 3.45Å; Q621-H624 PolarHBondContact O-N 3.37Å; Q621-H624 PolarHBondContact OE1-CE1 3.44Å; Q621-H624 PolarHBondContact OE1-ND1 2.87Å; Q621-R625 PolarHBondContact O-N 3.23Å; Q621-E669 PolarHBondContact NE2-O 2.7Å
622	P	93.9	Very high	93.8	Very high	87 Å²	87	43.3 Å²	43.3	57%	0.565	21%	0.21	S	C	*	.	H	α-helix	trans	-58.5	-37.7	-173.1	-27.3	35.8	0	0	0	113.7	K620 H624 R625 K626	K620-P622 WeakPolarHBondContact O-CD 3.49Å; P622-H624 PolarHBondContact O-N 3.4Å; P622-R625 VanDerWaalsContact O-CB 3.3Å; P622-R625 WeakPolarHBondContact O-CB 3.39Å; P622-R625 PolarHBondContact O-N 2.87Å; P622-R625 VanDerWaalsContact O-N 3.13Å; P622-K626 PolarHBondContact O-N 2.76Å
623	L	96.2	Very high	93.7	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-35.4	-179.1	-67.3	177.3	0	0	0	113.2	Q621 R625 K626 K627 A670 M676 D684 L688	Q621-L623 VanDerWaalsContact C-N 3.29Å; Q621-L623 PolarHBondContact O-N 2.97Å; L623-R625 VanDerWaalsContact C-N 3.29Å; L623-R625 PolarHBondContact O-N 3.5Å; L623-K626 PolarHBondContact O-N 2.64Å; L623-K627 WeakPolarHBondContact O-CB 3.25Å; L623-K627 PolarHBondContact O-N 3.46Å; L623-A670 HydrophobicContact CB-CB 3.93Å; L623-A670 HydrophobicContact CD1-CB 3.53Å; L623-A670 HydrophobicContact CG-CB 4.39Å; L623-M676 HydrophobicContact CB-CE 3.87Å; L623-M676 HydrophobicContact CD2-CE 4.07Å; L623-M676 HydrophobicContact CG-CE 4.5Å; L623-M676 WeakPolarHBondContact O-CE 3.18Å; L623-D684 HydrophobicContact CD2-CB 4Å; L623-D684 WeakPolarHBondContact CD2-OD1 3.4Å; L623-L688 HydrophobicContact CD1-CD1 4.16Å; L623-L688 HydrophobicContact CD1-CD2 3.65Å; L623-L688 HydrophobicContact CD1-CG 3.71Å
624	H	96.6	Very high	93.7	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-33.1	172.1	-70.9	164.2	0	0	0	112.6	L588 Y591 I619 Q621 P622 K627 L628 E669 A670	L588-H624 HydrophobicContact CD2-CB 3.77Å; Y591-H624 HydrophobicContact CE2-CB 3.97Å; Y591-H624 AromaticContact CE2-ND1 3.64Å; Y591-H624 AromaticContact CZ-ND1 3.82Å; Y591-H624 PolarHBondContact OH-ND1 2.9Å; Y591-H624 VanDerWaalsContact OH-ND1 3.09Å; I619-H624 HydrophobicContact CG2-CB 3.76Å; Q621-H624 HydrophobicContact CB-CB 4.4Å; Q621-H624 VanDerWaalsContact CD-CE1 3.45Å; Q621-H624 PolarHBondContact O-N 3.37Å; Q621-H624 PolarHBondContact OE1-CE1 3.44Å; Q621-H624 PolarHBondContact OE1-ND1 2.87Å; P622-H624 PolarHBondContact O-N 3.4Å; H624-K627 WeakPolarHBondContact O-CB 3.34Å; H624-L628 WeakPolarHBondContact O-CB 3.34Å; H624-L628 PolarHBondContact O-N 3.05Å; H624-L628 VanDerWaalsContact O-N 3.09Å; H624-E669 PolarHBondContact CE1-O 3.12Å; H624-E669 PolarHBondContact NE2-O 3.34Å; H624-E669 VanDerWaalsContact NE2-O 3.09Å; H624-A670 PolarHBondContact CD2-O 3.46Å
625	R	94.6	Very high	93.5	Very high	35 Å²	35	47.1 Å²	47.1	13%	0.132	23%	0.232	C	C	.	.	H	α-helix	trans	-70.3	-47.1	175.4	-163	-173.7	-48.5	156.2	5	110.8	Q610 E614 I619 Q621 P622 L623 K627 L628 Q629	Q610-R625 HydrophobicContact CG-CG 4.4Å; E614-R625 IonicContact OE1-CZ 2.66Å; E614-R625 VanDerWaalsContact OE1-CZ 3.23Å; E614-R625 IonicContact OE1-NE 2.79Å; E614-R625 PolarHBondContact OE1-NE 3.01Å; E614-R625 IonicContact OE1-NH1 2.84Å; E614-R625 PolarHBondContact OE1-NH1 3.13Å; E614-R625 IonicContact OE2-CZ 2.96Å; E614-R625 IonicContact OE2-NH1 2.7Å; E614-R625 PolarHBondContact OE2-NH1 3.33Å; E614-R625 VanDerWaalsContact OE2-NH1 3.15Å; E614-R625 IonicContact OE2-NH2 2.71Å; E614-R625 PolarHBondContact OE2-NH2 2.81Å; I619-R625 HydrophobicContact CG2-CB 3.91Å; I619-R625 PolarHBondContact O-NH2 2.89Å; Q621-R625 PolarHBondContact O-N 3.23Å; P622-R625 VanDerWaalsContact O-CB 3.3Å; P622-R625 WeakPolarHBondContact O-CB 3.39Å; P622-R625 PolarHBondContact O-N 2.87Å; P622-R625 VanDerWaalsContact O-N 3.13Å; L623-R625 VanDerWaalsContact C-N 3.29Å; L623-R625 PolarHBondContact O-N 3.5Å; R625-K627 VanDerWaalsContact C-N 3.34Å; R625-K627 PolarHBondContact O-N 2.82Å; R625-L628 PolarHBondContact O-N 2.83Å; R625-Q629 VanDerWaalsContact O-CB 3.28Å; R625-Q629 WeakPolarHBondContact O-CB 3.3Å; R625-Q629 PolarHBondContact O-N 3.44Å
626	K	95.3	Very high	92.9	Very high	34 Å²	34	43.1 Å²	43.1	15%	0.148	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-43.2	174.7	-175.6	162.8	179.7	168.5	0	111.4	P622 L623 Q629 L630 Y679 D684 E848	P622-K626 PolarHBondContact O-N 2.76Å; L623-K626 PolarHBondContact O-N 2.64Å; K626-Q629 PolarHBondContact O-N 2.87Å; K626-L630 HydrophobicContact CG-CD1 3.97Å; K626-L630 HydrophobicContact CG-CG 4.39Å; K626-L630 WeakPolarHBondContact O-CB 3.08Å; K626-L630 VanDerWaalsContact O-CG 3.26Å; K626-L630 WeakPolarHBondContact O-CG 3.25Å; K626-L630 PolarHBondContact O-N 3.48Å; K626-Y679 WeakPolarHBondContact CE-O 3.47Å; K626-Y679 PolarHBondContact NZ-O 3.42Å; K626-D684 IonicContact NZ-OD1 2.76Å; K626-D684 IonicContact NZ-OD2 3.64Å; K626-D684 PolarHBondContact NZ-OD2 3.43Å; K626-E848 IonicContact NZ-OE2 3.27Å
627	K	96.6	Very high	92.2	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-53.5	-56	172.1	-170.9	180	176.6	65.2	0	112.3	Q586 L588 L623 H624 R625 Q629 L630 A631 R671 D673 M676	Q586-K627 WeakPolarHBondContact O-CE 3.22Å; L588-K627 HydrophobicContact CD1-CD 4.17Å; L588-K627 HydrophobicContact CD2-CD 4.19Å; L588-K627 HydrophobicContact CG-CD 4.17Å; L623-K627 WeakPolarHBondContact O-CB 3.25Å; L623-K627 PolarHBondContact O-N 3.46Å; H624-K627 WeakPolarHBondContact O-CB 3.34Å; R625-K627 VanDerWaalsContact C-N 3.34Å; R625-K627 PolarHBondContact O-N 2.82Å; K627-Q629 VanDerWaalsContact C-N 3.34Å; K627-Q629 PolarHBondContact O-N 3.15Å; K627-L630 PolarHBondContact O-N 2.74Å; K627-A631 WeakPolarHBondContact O-CB 3.34Å; K627-A631 PolarHBondContact O-N 3.21Å; K627-R671 HydrophobicContact CD-CB 3.69Å; K627-R671 WeakPolarHBondContact CD-O 3.38Å; K627-R671 VanDerWaalsContact CE-O 3.31Å; K627-R671 WeakPolarHBondContact CE-O 3.27Å; K627-R671 PolarHBondContact NZ-O 3.49Å; K627-D673 IonicContact NZ-OD2 2.69Å; K627-D673 PolarHBondContact NZ-OD2 3.14Å; K627-M676 HydrophobicContact CB-CE 4.36Å; K627-M676 HydrophobicContact CB-CG 4.36Å; K627-M676 HydrophobicContact CB-SD 3.43Å; K627-M676 WeakPolarHBondContact CB-SD 3.43Å; K627-M676 HydrophobicContact CD-SD 4.14Å; K627-M676 HydrophobicContact CG-SD 3.67Å
628	L	95.6	Very high	91.1	Very high	2 Å²	2	52 Å²	52	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-41.3	-177.3	-177.3	57.6	0	0	0	111.4	W582 L583 L588 L613 L617 I619 H624 R625 A631 L632	W582-L628 HydrophobicContact CH2-CD1 3.77Å; W582-L628 HydrophobicContact CZ3-CD1 3.85Å; L583-L628 HydrophobicContact CD1-CD1 3.95Å; L588-L628 HydrophobicContact CD1-CB 4.05Å; L588-L628 HydrophobicContact CD1-CD1 4.39Å; L613-L628 HydrophobicContact CD1-CD2 4.46Å; L613-L628 HydrophobicContact CD2-CD2 4Å; L617-L628 HydrophobicContact CD1-CD2 3.66Å; I619-L628 HydrophobicContact CD1-CD2 3.68Å; H624-L628 WeakPolarHBondContact O-CB 3.34Å; H624-L628 PolarHBondContact O-N 3.05Å; H624-L628 VanDerWaalsContact O-N 3.09Å; R625-L628 PolarHBondContact O-N 2.83Å; L628-A631 PolarHBondContact O-N 2.93Å; L628-L632 HydrophobicContact CD1-CD1 4.02Å; L628-L632 HydrophobicContact CD1-CG 4.15Å; L628-L632 HydrophobicContact CG-CD1 3.91Å; L628-L632 HydrophobicContact CG-CG 4.47Å; L628-L632 WeakPolarHBondContact O-CB 3.42Å; L628-L632 VanDerWaalsContact O-CG 3.23Å; L628-L632 WeakPolarHBondContact O-CG 3.46Å; L628-L632 PolarHBondContact O-N 2.84Å
629	Q	93.9	Very high	90.4	Very high	84 Å²	84	57.5 Å²	57.5	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-46.9	176.4	-176.5	175.3	-13.3	0	0	112.1	R625 K626 K627 L632 Q633	R625-Q629 VanDerWaalsContact O-CB 3.28Å; R625-Q629 WeakPolarHBondContact O-CB 3.3Å; R625-Q629 PolarHBondContact O-N 3.44Å; K626-Q629 PolarHBondContact O-N 2.87Å; K627-Q629 VanDerWaalsContact C-N 3.34Å; K627-Q629 PolarHBondContact O-N 3.15Å; Q629-L632 PolarHBondContact O-N 2.95Å; Q629-Q633 WeakPolarHBondContact O-CB 3.06Å; Q629-Q633 PolarHBondContact O-N 2.78Å
630	L	94.3	Very high	89.6	Confident	18 Å²	18	63.8 Å²	63.8	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-65.7	-37.3	176.4	-69.9	173.6	0	0	0	112.4	K626 K627 A634 R675 M676 Y679	K626-L630 HydrophobicContact CG-CD1 3.97Å; K626-L630 HydrophobicContact CG-CG 4.39Å; K626-L630 WeakPolarHBondContact O-CB 3.08Å; K626-L630 VanDerWaalsContact O-CG 3.26Å; K626-L630 WeakPolarHBondContact O-CG 3.25Å; K626-L630 PolarHBondContact O-N 3.48Å; K627-L630 PolarHBondContact O-N 2.74Å; L630-A634 WeakPolarHBondContact O-CB 3.08Å; L630-A634 PolarHBondContact O-N 3.49Å; L630-R675 HydrophobicContact CB-CB 4.26Å; L630-R675 HydrophobicContact CD1-CB 4.43Å; L630-M676 HydrophobicContact CD1-CG 4.1Å; L630-Y679 HydrophobicContact CD1-CD2 3.97Å; L630-Y679 HydrophobicContact CD1-CG 4.46Å; L630-Y679 HydrophobicContact CD2-CD2 3.45Å; L630-Y679 VanDerWaalsContact CD2-CD2 3.45Å; L630-Y679 HydrophobicContact CD2-CE2 3.88Å; L630-Y679 HydrophobicContact CD2-CG 3.95Å; L630-Y679 HydrophobicContact CG-CD2 4.32Å
631	A	94.3	Very high	89.4	Confident	1 Å²	1	56 Å²	56	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-41.1	176.4	0	0	0	0	0	112.2	W582 K627 L628 A634 L635	W582-A631 HydrophobicContact CH2-CB 4.24Å; W582-A631 HydrophobicContact CZ2-CB 3.99Å; K627-A631 WeakPolarHBondContact O-CB 3.34Å; K627-A631 PolarHBondContact O-N 3.21Å; L628-A631 PolarHBondContact O-N 2.93Å; A631-A634 PolarHBondContact O-N 3.02Å; A631-L635 WeakPolarHBondContact O-CB 3.46Å; A631-L635 WeakPolarHBondContact O-CD1 3.46Å; A631-L635 VanDerWaalsContact O-CG 3.31Å; A631-L635 WeakPolarHBondContact O-CG 3.36Å; A631-L635 PolarHBondContact O-N 2.86Å
632	L	92.5	Very high	89.3	Confident	14 Å²	14	54.7 Å²	54.7	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-68.8	-35.9	175	-70.2	168.9	0	0	0	112.3	F571 W582 L605 L606 L613 L628 Q629 L635 G636	F571-L632 HydrophobicContact CD1-CD2 4.36Å; F571-L632 HydrophobicContact CE1-CD2 3.49Å; F571-L632 VanDerWaalsContact CE1-CD2 3.49Å; F571-L632 HydrophobicContact CZ-CD2 3.85Å; W582-L632 HydrophobicContact CH2-CD2 4.16Å; W582-L632 HydrophobicContact CH2-CG 4.47Å; L605-L632 HydrophobicContact CB-CD1 3.97Å; L605-L632 HydrophobicContact CB-CD2 3.67Å; L605-L632 HydrophobicContact CB-CG 4.5Å; L605-L632 HydrophobicContact CD1-CD2 4.21Å; L606-L632 HydrophobicContact CD2-CD2 4.21Å; L613-L632 HydrophobicContact CD1-CD1 4.47Å; L628-L632 HydrophobicContact CD1-CD1 4.02Å; L628-L632 HydrophobicContact CD1-CG 4.15Å; L628-L632 HydrophobicContact CG-CD1 3.91Å; L628-L632 HydrophobicContact CG-CG 4.47Å; L628-L632 WeakPolarHBondContact O-CB 3.42Å; L628-L632 VanDerWaalsContact O-CG 3.23Å; L628-L632 WeakPolarHBondContact O-CG 3.46Å; L628-L632 PolarHBondContact O-N 2.84Å; Q629-L632 PolarHBondContact O-N 2.95Å; L632-L635 PolarHBondContact O-N 3.29Å; L632-G636 PolarHBondContact O-N 3.47Å
633	Q	90.7	Very high	89.2	Confident	119 Å²	119	52.1 Å²	52.1	56%	0.556	27%	0.271	S	S	*	.	H	α-helix	trans	-63.8	-42.2	172.8	-177.6	177.9	-9.1	0	0	111.6	Q629 G636 S637	Q629-Q633 WeakPolarHBondContact O-CB 3.06Å; Q629-Q633 PolarHBondContact O-N 2.78Å; Q633-G636 PolarHBondContact O-N 3.48Å; Q633-S637 PolarHBondContact O-N 2.78Å
634	A	90.7	Very high	89	Confident	20 Å²	20	52.9 Å²	52.9	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-42.8	174.6	0	0	0	0	0	112.2	L630 A631 G636 S637 D641	L630-A634 WeakPolarHBondContact O-CB 3.08Å; L630-A634 PolarHBondContact O-N 3.49Å; A631-A634 PolarHBondContact O-N 3.02Å; A634-G636 PolarHBondContact O-N 3.22Å; A634-S637 PolarHBondContact O-N 2.98Å; A634-S637 VanDerWaalsContact O-N 3.07Å; A634-D641 HydrophobicContact CB-CB 4.43Å; A634-D641 WeakPolarHBondContact CB-OD2 3.39Å
635	L	87.3	Confident	88.8	Confident	57 Å²	57	57.9 Å²	57.9	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-69	-11.1	175.9	-72.7	165.2	0	0	0	114.5	F571 W582 A631 L632	F571-L635 HydrophobicContact CB-CB 4.29Å; F571-L635 HydrophobicContact CB-CD2 4.44Å; F571-L635 HydrophobicContact CD1-CD1 4.46Å; F571-L635 HydrophobicContact CD2-CD1 3.69Å; F571-L635 HydrophobicContact CD2-CD2 4.28Å; F571-L635 HydrophobicContact CD2-CG 4.45Å; F571-L635 HydrophobicContact CE2-CD1 3.75Å; F571-L635 HydrophobicContact CG-CB 4.29Å; F571-L635 HydrophobicContact CG-CD1 4.05Å; F571-L635 HydrophobicContact CZ-CD1 4.17Å; W582-L635 HydrophobicContact CH2-CD1 3.92Å; W582-L635 HydrophobicContact CZ2-CD1 3.3Å; A631-L635 WeakPolarHBondContact O-CB 3.46Å; A631-L635 WeakPolarHBondContact O-CD1 3.46Å; A631-L635 VanDerWaalsContact O-CG 3.31Å; A631-L635 WeakPolarHBondContact O-CG 3.36Å; A631-L635 PolarHBondContact O-N 2.86Å; L632-L635 PolarHBondContact O-N 3.29Å
636	G	79	Confident	88.9	Confident	61 Å²	61	56.3 Å²	56.3	63%	0.629	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	5.7	171.3	0	0	0	0	0	114	L632 Q633 A634	L632-G636 PolarHBondContact O-N 3.47Å; Q633-G636 PolarHBondContact O-N 3.48Å; A634-G636 PolarHBondContact O-N 3.22Å
637	S	80.6	Confident	88.9	Confident	51 Å²	51	57.9 Å²	57.9	36%	0.357	31%	0.307	S	S	.	.			trans	-110.9	155.4	176.9	-167.8	0	0	0	0	110.9	Q633 A634 E639	Q633-S637 PolarHBondContact O-N 2.78Å; A634-S637 PolarHBondContact O-N 2.98Å; A634-S637 VanDerWaalsContact O-N 3.07Å; S637-E639 WeakPolarHBondContact OG-CG 3.2Å; S637-E639 PolarHBondContact OG-N 3.04Å
638	E	69.7	Low	89	Confident	205 Å²	205	59.6 Å²	59.6	96%	0.958	31%	0.314	S	S	*	.			trans	-98.1	1.1	172.9	-61.6	-177.9	163.1	0	0	112
639	E	75.9	Confident	89.1	Confident	147 Å²	147	62.3 Å²	62.3	69%	0.687	33%	0.328	S	S	*	.	S	Bend	trans	-73.9	146.5	178	-65.3	175.3	161.1	0	0	113.2	S637 D641	S637-E639 WeakPolarHBondContact OG-CG 3.2Å; S637-E639 PolarHBondContact OG-N 3.04Å; E639-D641 PolarHBondContact O-N 3.42Å
640	E	79.1	Confident	89.2	Confident	135 Å²	135	60.4 Å²	60.4	63%	0.631	32%	0.318	S	S	*	.			trans	-69.1	108.3	175.9	-161.8	-162.6	-168.8	0	0	112	N642 K645	E640-N642 VanDerWaalsContact C-N 3.26Å; E640-N642 PolarHBondContact O-N 3.01Å; E640-N642 PolarHBondContact OE2-ND2 3.46Å; E640-N642 PolarHBondContact OE2-OD1 3.04Å; E640-K645 WeakPolarHBondContact OE1-CE 3.15Å; E640-K645 IonicContact OE1-NZ 2.7Å; E640-K645 PolarHBondContact OE1-NZ 3.3Å
641	D	87.4	Confident	89.4	Confident	28 Å²	28	59.6 Å²	59.6	15%	0.15	31%	0.313	C	S	.	.			trans	-82	62.3	-175.5	-167.7	37.6	0	0	0	113.5	A634 E639 K643 G644 K645 R675	A634-D641 HydrophobicContact CB-CB 4.43Å; A634-D641 WeakPolarHBondContact CB-OD2 3.39Å; E639-D641 PolarHBondContact O-N 3.42Å; D641-K643 VanDerWaalsContact C-N 3.26Å; D641-K643 PolarHBondContact O-N 3.14Å; D641-K643 WeakPolarHBondContact OD1-CE 3.48Å; D641-K643 WeakPolarHBondContact OD1-CG 3.22Å; D641-K643 IonicContact OD1-NZ 2.68Å; D641-K643 PolarHBondContact OD1-NZ 3.35Å; D641-G644 VanDerWaalsContact O-CA 3.32Å; D641-G644 WeakPolarHBondContact O-CA 3.46Å; D641-G644 PolarHBondContact O-N 2.96Å; D641-G644 WeakPolarHBondContact OD2-CA 3.21Å; D641-K645 PolarHBondContact O-N 3.14Å; D641-R675 IonicContact OD2-CZ 3.96Å; D641-R675 IonicContact OD2-NE 2.72Å; D641-R675 PolarHBondContact OD2-NE 2.97Å; D641-R675 IonicContact OD2-NH2 3.1Å; D641-R675 PolarHBondContact OD2-NH2 3.36Å
642	N	90.5	Very high	89.6	Confident	34 Å²	34	60.7 Å²	60.7	18%	0.182	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-52.5	-41.9	178	-79.6	-59.9	0	0	0	113.3	E640 G644 K645 N710	E640-N642 VanDerWaalsContact C-N 3.26Å; E640-N642 PolarHBondContact O-N 3.01Å; E640-N642 PolarHBondContact OE2-ND2 3.46Å; E640-N642 PolarHBondContact OE2-OD1 3.04Å; N642-G644 PolarHBondContact O-N 3.26Å; N642-K645 VanDerWaalsContact O-CB 3.29Å; N642-K645 WeakPolarHBondContact O-CB 3.47Å; N642-K645 PolarHBondContact O-N 3.04Å; N642-K645 VanDerWaalsContact OD1-CE 3.25Å; N642-K645 WeakPolarHBondContact OD1-CE 3.5Å; N642-K645 PolarHBondContact OD1-NZ 3.37Å; N642-N710 WeakPolarHBondContact CB-O 3.45Å
643	K	93	Very high	89.8	Confident	32 Å²	32	66.9 Å²	66.9	14%	0.139	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.5	-23.9	172.6	60.2	-169	-178.1	-55.8	0	113.7	D641 G674 R675 H678 Y679 Y711	D641-K643 VanDerWaalsContact C-N 3.26Å; D641-K643 PolarHBondContact O-N 3.14Å; D641-K643 WeakPolarHBondContact OD1-CE 3.48Å; D641-K643 WeakPolarHBondContact OD1-CG 3.22Å; D641-K643 IonicContact OD1-NZ 2.68Å; D641-K643 PolarHBondContact OD1-NZ 3.35Å; K643-G674 CarbonylContact O-C 3.23Å; K643-G674 WeakPolarHBondContact O-CA 3.47Å; K643-R675 HydrophobicContact CG-CG 4.25Å; K643-R675 PolarHBondContact O-N 3.24Å; K643-H678 HydrophobicContact CB-CB 4.46Å; K643-H678 HydrophobicContact CD-CB 4.01Å; K643-Y679 HydrophobicContact CD-CE2 4.35Å; K643-Y711 HydrophobicContact CB-CD1 4.21Å; K643-Y711 HydrophobicContact CB-CD2 4.15Å; K643-Y711 HydrophobicContact CB-CE1 4.48Å; K643-Y711 HydrophobicContact CB-CE2 4.42Å; K643-Y711 HydrophobicContact CB-CG 4.06Å
644	G	91.9	Very high	90.2	Very high	25 Å²	25	61.4 Å²	61.4	26%	0.258	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-80.8	-15.1	173.4	0	0	0	0	0	115	D641 N642 L646	D641-G644 VanDerWaalsContact O-CA 3.32Å; D641-G644 WeakPolarHBondContact O-CA 3.46Å; D641-G644 PolarHBondContact O-N 2.96Å; D641-G644 WeakPolarHBondContact OD2-CA 3.21Å; N642-G644 PolarHBondContact O-N 3.26Å; G644-L646 PolarHBondContact O-N 2.65Å
645	K	92.6	Very high	90.6	Very high	110 Å²	110	60.4 Å²	60.4	48%	0.478	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-69.2	-15.2	173.9	-59.4	176.1	179.8	171.8	0	112.5	E640 D641 N642	E640-K645 WeakPolarHBondContact OE1-CE 3.15Å; E640-K645 IonicContact OE1-NZ 2.7Å; E640-K645 PolarHBondContact OE1-NZ 3.3Å; D641-K645 PolarHBondContact O-N 3.14Å; N642-K645 VanDerWaalsContact O-CB 3.29Å; N642-K645 WeakPolarHBondContact O-CB 3.47Å; N642-K645 PolarHBondContact O-N 3.04Å; N642-K645 VanDerWaalsContact OD1-CE 3.25Å; N642-K645 WeakPolarHBondContact OD1-CE 3.5Å; N642-K645 PolarHBondContact OD1-NZ 3.37Å
646	L	96.3	Very high	91	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	31%	0.311	C	S	.	.	S	Bend	trans	-99.3	99.3	-177.8	-56.9	-176.9	0	0	0	111.3	G644 W650 G674 L706 Y711 P713	G644-L646 PolarHBondContact O-N 2.65Å; L646-W650 HydrophobicContact CB-CD2 4.27Å; L646-W650 HydrophobicContact CB-CE3 3.9Å; L646-W650 HydrophobicContact CB-CZ3 4.36Å; L646-W650 HydrophobicContact CD1-CE3 4.09Å; L646-W650 HydrophobicContact CD1-CH2 3.88Å; L646-W650 HydrophobicContact CD1-CZ2 4.36Å; L646-W650 HydrophobicContact CD1-CZ3 3.73Å; L646-W650 HydrophobicContact CD2-CD2 3.81Å; L646-W650 HydrophobicContact CD2-CE3 4.1Å; L646-W650 HydrophobicContact CD2-CG 4.25Å; L646-W650 HydrophobicContact CD2-CH2 4.37Å; L646-W650 HydrophobicContact CD2-CZ2 4.06Å; L646-W650 HydrophobicContact CD2-CZ3 4.4Å; L646-W650 HydrophobicContact CG-CD2 4.45Å; L646-W650 HydrophobicContact CG-CE3 4.26Å; L646-W650 HydrophobicContact CG-CZ3 4.4Å; L646-G674 PolarHBondContact O-N 3.32Å; L646-L706 HydrophobicContact CD1-CD1 4.28Å; L646-Y711 HydrophobicContact CD1-CD1 3.86Å; L646-Y711 HydrophobicContact CD1-CG 4.41Å; L646-Y711 WeakPolarHBondContact CD2-O 3.48Å; L646-P713 HydrophobicContact CD2-CB 3.9Å; L646-P713 HydrophobicContact CD2-CG 3.8Å
647	D	96.3	Very high	91.9	Very high	67 Å²	67	58.8 Å²	58.8	36%	0.358	29%	0.286	S	S	.	.			trans	-76.3	172.5	-177.8	96.9	-60.5	0	0	0	113.6	N649 W650 V651	D647-N649 VanDerWaalsContact C-N 3.29Å; D647-N649 PolarHBondContact O-N 3.24Å; D647-N649 PolarHBondContact OD1-N 3.07Å; D647-N649 WeakPolarHBondContact OD2-CB 3.32Å; D647-N649 PolarHBondContact OD2-N 3.21Å; D647-N649 PolarHBondContact OD2-ND2 3Å; D647-W650 WeakPolarHBondContact O-CB 3.43Å; D647-W650 PolarHBondContact O-N 3.24Å; D647-W650 VanDerWaalsContact O-N 3.13Å; D647-W650 WeakPolarHBondContact OD1-CB 3.43Å; D647-W650 PolarHBondContact OD1-N 2.81Å; D647-V651 PolarHBondContact O-N 2.99Å
648	Y	97.3	Very high	92.8	Very high	39 Å²	39	56.4 Å²	56.4	15%	0.153	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-26.8	-178.9	72.5	-87.5	0	0	0	113.2	T652 D668 R671 V672	Y648-T652 WeakPolarHBondContact O-CB 3.48Å; Y648-T652 PolarHBondContact O-N 3.4Å; Y648-T652 PolarHBondContact O-OG1 3.28Å; Y648-D668 WeakPolarHBondContact CD2-OD1 3.42Å; Y648-D668 WeakPolarHBondContact CE2-OD1 3.28Å; Y648-R671 HydrophobicContact CG-CB 4.42Å; Y648-V672 VanDerWaalsContact CA-O 3.26Å; Y648-V672 WeakPolarHBondContact CA-O 3.14Å; Y648-V672 WeakPolarHBondContact CB-O 3.47Å
649	N	97.1	Very high	94.1	Very high	59 Å²	59	46.7 Å²	46.7	32%	0.316	22%	0.224	S	C	.	.	H	α-helix	trans	-71	-35	172	-60.2	-86.6	0	0	0	111.1	D647 R653	D647-N649 VanDerWaalsContact C-N 3.29Å; D647-N649 PolarHBondContact O-N 3.24Å; D647-N649 PolarHBondContact OD1-N 3.07Å; D647-N649 WeakPolarHBondContact OD2-CB 3.32Å; D647-N649 PolarHBondContact OD2-N 3.21Å; D647-N649 PolarHBondContact OD2-ND2 3Å; N649-R653 WeakPolarHBondContact O-CG 3.38Å; N649-R653 PolarHBondContact O-N 3.19Å; N649-R653 PolarHBondContact O-NH1 3.42Å
650	W	97.6	Very high	95.2	Very high	45 Å²	45	39.7 Å²	39.7	17%	0.17	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-48.9	171.1	-177.1	99.5	0	0	0	110.8	L646 D647 T652 R653 W654 L677 L706 P713	L646-W650 HydrophobicContact CB-CD2 4.27Å; L646-W650 HydrophobicContact CB-CE3 3.9Å; L646-W650 HydrophobicContact CB-CZ3 4.36Å; L646-W650 HydrophobicContact CD1-CE3 4.09Å; L646-W650 HydrophobicContact CD1-CH2 3.88Å; L646-W650 HydrophobicContact CD1-CZ2 4.36Å; L646-W650 HydrophobicContact CD1-CZ3 3.73Å; L646-W650 HydrophobicContact CD2-CD2 3.81Å; L646-W650 HydrophobicContact CD2-CE3 4.1Å; L646-W650 HydrophobicContact CD2-CG 4.25Å; L646-W650 HydrophobicContact CD2-CH2 4.37Å; L646-W650 HydrophobicContact CD2-CZ2 4.06Å; L646-W650 HydrophobicContact CD2-CZ3 4.4Å; L646-W650 HydrophobicContact CG-CD2 4.45Å; L646-W650 HydrophobicContact CG-CE3 4.26Å; L646-W650 HydrophobicContact CG-CZ3 4.4Å; D647-W650 WeakPolarHBondContact O-CB 3.43Å; D647-W650 PolarHBondContact O-N 3.24Å; D647-W650 VanDerWaalsContact O-N 3.13Å; D647-W650 WeakPolarHBondContact OD1-CB 3.43Å; D647-W650 PolarHBondContact OD1-N 2.81Å; W650-T652 VanDerWaalsContact C-N 3.27Å; W650-T652 PolarHBondContact O-N 3Å; W650-R653 CarbonylContact O-C 3.6Å; W650-R653 WeakPolarHBondContact O-CA 3.26Å; W650-R653 WeakPolarHBondContact O-CB 3.47Å; W650-R653 PolarHBondContact O-N 3.29Å; W650-W654 HydrophobicContact CD2-CB 4.47Å; W650-W654 HydrophobicContact CE3-CB 3.99Å; W650-W654 HydrophobicContact CE3-CG 4.46Å; W650-W654 HydrophobicContact CH2-CB 3.83Å; W650-W654 AromaticContact CH2-CD1 3.3Å; W650-W654 HydrophobicContact CH2-CD2 4.48Å; W650-W654 AromaticContact CH2-CG 3.64Å; W650-W654 HydrophobicContact CH2-CG 3.64Å; W650-W654 AromaticContact CH2-NE1 3.95Å; W650-W654 HydrophobicContact CZ2-CB 4.35Å; W650-W654 HydrophobicContact CZ2-CG 4.48Å; W650-W654 HydrophobicContact CZ3-CB 3.62Å; W650-W654 AromaticContact CZ3-CD1 3.77Å; W650-W654 HydrophobicContact CZ3-CD2 4.23Å; W650-W654 AromaticContact CZ3-CG 3.63Å; W650-W654 HydrophobicContact CZ3-CG 3.63Å; W650-W654 PolarHBondContact O-N 3.23Å; W650-L677 HydrophobicContact CZ3-CD1 4.48Å; W650-L706 HydrophobicContact CH2-CD1 3.82Å; W650-L706 HydrophobicContact CH2-CD2 3.79Å; W650-L706 HydrophobicContact CH2-CG 4.47Å; W650-L706 HydrophobicContact CZ2-CD2 4.45Å; W650-L706 HydrophobicContact CZ3-CD1 4.06Å; W650-P713 PolarHBondContact NE1-O 3.34Å
651	V	98.4	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-40.4	178.1	172.9	0	0	0	0	111.4	D647 R653 W654 L655 F667 V672 L677	D647-V651 PolarHBondContact O-N 2.99Å; V651-R653 VanDerWaalsContact C-N 3.25Å; V651-R653 PolarHBondContact O-N 3.06Å; V651-W654 HydrophobicContact CG1-CE3 4.22Å; V651-W654 WeakPolarHBondContact O-CB 3.37Å; V651-W654 PolarHBondContact O-N 3.04Å; V651-L655 PolarHBondContact O-N 3.11Å; V651-L655 VanDerWaalsContact O-N 3.1Å; V651-F667 HydrophobicContact CG1-CD1 3.94Å; V651-V672 VanDerWaalsContact CB-O 3.28Å; V651-V672 WeakPolarHBondContact CB-O 3.09Å; V651-V672 HydrophobicContact CG1-CB 4.43Å; V651-V672 HydrophobicContact CG1-CG1 4.22Å; V651-V672 WeakPolarHBondContact CG2-O 3.43Å; V651-L677 HydrophobicContact CG1-CD1 4.08Å; V651-L677 HydrophobicContact CG1-CD2 4.25Å; V651-L677 HydrophobicContact CG1-CG 4.28Å; V651-L677 HydrophobicContact CG2-CD1 3.72Å; V651-L677 HydrophobicContact CG2-CG 4.17Å
652	T	97.7	Very high	96.6	Very high	25 Å²	25	38.2 Å²	38.2	15%	0.153	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-29.2	176.1	-59.6	0	0	0	0	112.6	Y648 W650 K664	Y648-T652 WeakPolarHBondContact O-CB 3.48Å; Y648-T652 PolarHBondContact O-N 3.4Å; Y648-T652 PolarHBondContact O-OG1 3.28Å; W650-T652 VanDerWaalsContact C-N 3.27Å; W650-T652 PolarHBondContact O-N 3Å; T652-K664 HydrophobicContact CG2-CB 4.18Å; T652-K664 HydrophobicContact CG2-CD 4.49Å; T652-K664 HydrophobicContact CG2-CG 4Å; T652-K664 WeakPolarHBondContact O-CE 3.44Å
653	R	97.4	Very high	97	Very high	144 Å²	144	37.9 Å²	37.9	54%	0.543	18%	0.184	S	C	.	.	H	α-helix	trans	-81.4	-39.3	172.6	-66.9	176.5	-169.3	98.2	-4.8	112.3	N649 W650 V651 L655 D656	N649-R653 WeakPolarHBondContact O-CG 3.38Å; N649-R653 PolarHBondContact O-N 3.19Å; N649-R653 PolarHBondContact O-NH1 3.42Å; W650-R653 CarbonylContact O-C 3.6Å; W650-R653 WeakPolarHBondContact O-CA 3.26Å; W650-R653 WeakPolarHBondContact O-CB 3.47Å; W650-R653 PolarHBondContact O-N 3.29Å; V651-R653 VanDerWaalsContact C-N 3.25Å; V651-R653 PolarHBondContact O-N 3.06Å; R653-L655 PolarHBondContact O-N 3.07Å; R653-D656 VanDerWaalsContact O-CB 3.3Å; R653-D656 WeakPolarHBondContact O-CB 3.48Å; R653-D656 PolarHBondContact O-N 3.2Å
654	W	98.2	Very high	97.2	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-56.8	-27.9	174.7	170.6	86.8	0	0	0	112.8	W650 V651 D656 D657 I658 L677 A702 I703 L706	W650-W654 HydrophobicContact CD2-CB 4.47Å; W650-W654 HydrophobicContact CE3-CB 3.99Å; W650-W654 HydrophobicContact CE3-CG 4.46Å; W650-W654 HydrophobicContact CH2-CB 3.83Å; W650-W654 AromaticContact CH2-CD1 3.3Å; W650-W654 HydrophobicContact CH2-CD2 4.48Å; W650-W654 AromaticContact CH2-CG 3.64Å; W650-W654 HydrophobicContact CH2-CG 3.64Å; W650-W654 AromaticContact CH2-NE1 3.95Å; W650-W654 HydrophobicContact CZ2-CB 4.35Å; W650-W654 HydrophobicContact CZ2-CG 4.48Å; W650-W654 HydrophobicContact CZ3-CB 3.62Å; W650-W654 AromaticContact CZ3-CD1 3.77Å; W650-W654 HydrophobicContact CZ3-CD2 4.23Å; W650-W654 AromaticContact CZ3-CG 3.63Å; W650-W654 HydrophobicContact CZ3-CG 3.63Å; W650-W654 PolarHBondContact O-N 3.23Å; V651-W654 HydrophobicContact CG1-CE3 4.22Å; V651-W654 WeakPolarHBondContact O-CB 3.37Å; V651-W654 PolarHBondContact O-N 3.04Å; W654-D656 VanDerWaalsContact C-N 3.29Å; W654-D656 PolarHBondContact O-N 2.94Å; W654-D657 WeakPolarHBondContact O-CB 3.49Å; W654-D657 PolarHBondContact O-N 2.99Å; W654-I658 HydrophobicContact CD2-CD1 4.45Å; W654-I658 HydrophobicContact CD2-CG2 4.15Å; W654-I658 HydrophobicContact CE3-CD1 4.12Å; W654-I658 HydrophobicContact CG-CG2 4.44Å; W654-I658 HydrophobicContact CH2-CD1 3.93Å; W654-I658 HydrophobicContact CZ2-CD1 4.26Å; W654-I658 HydrophobicContact CZ2-CG2 4.18Å; W654-I658 HydrophobicContact CZ3-CD1 3.83Å; W654-I658 PolarHBondContact O-N 3.02Å; W654-L677 HydrophobicContact CD2-CD1 4.29Å; W654-L677 HydrophobicContact CE3-CD1 3.95Å; W654-L677 HydrophobicContact CH2-CD1 3.75Å; W654-L677 HydrophobicContact CH2-CD2 3.85Å; W654-L677 HydrophobicContact CH2-CG 4.44Å; W654-L677 HydrophobicContact CZ2-CD1 4.09Å; W654-L677 HydrophobicContact CZ3-CD1 3.68Å; W654-L677 HydrophobicContact CZ3-CD2 3.66Å; W654-L677 HydrophobicContact CZ3-CG 4.35Å; W654-A702 HydrophobicContact CH2-CB 4.14Å; W654-A702 HydrophobicContact CZ2-CB 3.45Å; W654-A702 VanDerWaalsContact CZ2-CB 3.45Å; W654-I703 HydrophobicContact CH2-CG1 4.27Å; W654-I703 HydrophobicContact CZ2-CG1 4.5Å; W654-L706 HydrophobicContact CZ2-CD1 4.01Å
655	L	98.5	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-28.6	169.6	-71.7	176.4	0	0	0	114.2	V651 R653 I658 L660 K664 F667	V651-L655 PolarHBondContact O-N 3.11Å; V651-L655 VanDerWaalsContact O-N 3.1Å; R653-L655 PolarHBondContact O-N 3.07Å; L655-I658 HydrophobicContact CD2-CD1 4.06Å; L655-L660 HydrophobicContact CD2-CB 4.36Å; L655-L660 CarbonylContact O-C 3.58Å; L655-L660 VanDerWaalsContact O-C 3.23Å; L655-L660 WeakPolarHBondContact O-CA 3.32Å; L655-L660 PolarHBondContact O-N 2.96Å; L655-K664 HydrophobicContact CB-CG 4.11Å; L655-K664 HydrophobicContact CD1-CG 4.07Å; L655-F667 HydrophobicContact CD1-CB 3.79Å; L655-F667 HydrophobicContact CD1-CD1 4.1Å; L655-F667 HydrophobicContact CD1-CD2 4.03Å; L655-F667 HydrophobicContact CD1-CG 3.72Å; L655-F667 HydrophobicContact CD2-CD1 4.5Å; L655-F667 HydrophobicContact CD2-CE1 4.39Å; L655-F667 HydrophobicContact CD2-CZ 4.48Å
656	D	97.3	Very high	97.7	Very high	63 Å²	63	38.5 Å²	38.5	34%	0.337	19%	0.191	S	C	.	.	H	α-helix	trans	-68.5	-45.5	167.6	-64.8	-48	0	0	0	110.6	R653 W654 I658 G659 K664	R653-D656 VanDerWaalsContact O-CB 3.3Å; R653-D656 WeakPolarHBondContact O-CB 3.48Å; R653-D656 PolarHBondContact O-N 3.2Å; W654-D656 VanDerWaalsContact C-N 3.29Å; W654-D656 PolarHBondContact O-N 2.94Å; D656-I658 VanDerWaalsContact C-N 3.33Å; D656-I658 PolarHBondContact O-N 3.44Å; D656-G659 PolarHBondContact O-N 3.21Å; D656-K664 VanDerWaalsContact OD1-CE 3.3Å; D656-K664 WeakPolarHBondContact OD1-CE 3.49Å; D656-K664 IonicContact OD1-NZ 3.17Å; D656-K664 PolarHBondContact OD1-NZ 3.5Å; D656-K664 WeakPolarHBondContact OD2-CE 3.38Å; D656-K664 IonicContact OD2-NZ 3.94Å; D656-K664 PolarHBondContact OD2-NZ 3.31Å
657	D	98.1	Very high	97.8	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-35.3	-173.7	-74.4	-61.5	0	0	0	113.1	W654 G659 L716 R718 T735 N736	W654-D657 WeakPolarHBondContact O-CB 3.49Å; W654-D657 PolarHBondContact O-N 2.99Å; D657-G659 VanDerWaalsContact C-N 3.33Å; D657-L716 HydrophobicContact CB-CD1 3.84Å; D657-R718 IonicContact OD1-CZ 2.68Å; D657-R718 IonicContact OD1-NE 3.94Å; D657-R718 PolarHBondContact OD1-NE 3.21Å; D657-R718 IonicContact OD1-NH2 2.68Å; D657-R718 PolarHBondContact OD1-NH2 3.15Å; D657-R718 IonicContact OD2-CZ 2.66Å; D657-R718 IonicContact OD2-NE 2.68Å; D657-R718 IonicContact OD2-NH2 3.14Å; D657-R718 PolarHBondContact OD2-NH2 3Å; D657-T735 HydrophobicContact CB-CG2 3.85Å; D657-T735 CarbonylContact O-C 3.31Å; D657-T735 VanDerWaalsContact O-CA 3.22Å; D657-T735 WeakPolarHBondContact O-CA 3.34Å; D657-T735 WeakPolarHBondContact O-CB 3.36Å; D657-T735 WeakPolarHBondContact OD1-CG2 3.29Å; D657-N736 PolarHBondContact O-N 2.74Å
658	I	98.3	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.5	174.7	72.9	174.2	0	0	0	113.1	W654 L655 D656 L660 I699 A702 G759	W654-I658 HydrophobicContact CD2-CD1 4.45Å; W654-I658 HydrophobicContact CD2-CG2 4.15Å; W654-I658 HydrophobicContact CE3-CD1 4.12Å; W654-I658 HydrophobicContact CG-CG2 4.44Å; W654-I658 HydrophobicContact CH2-CD1 3.93Å; W654-I658 HydrophobicContact CZ2-CD1 4.26Å; W654-I658 HydrophobicContact CZ2-CG2 4.18Å; W654-I658 HydrophobicContact CZ3-CD1 3.83Å; W654-I658 PolarHBondContact O-N 3.02Å; L655-I658 HydrophobicContact CD2-CD1 4.06Å; D656-I658 VanDerWaalsContact C-N 3.33Å; D656-I658 PolarHBondContact O-N 3.44Å; I658-L660 HydrophobicContact CD1-CB 4.41Å; I658-L660 HydrophobicContact CD1-CD1 3.93Å; I658-L660 HydrophobicContact CD1-CG 4.35Å; I658-L660 HydrophobicContact CG1-CB 4.18Å; I658-L660 HydrophobicContact CG1-CD1 4.35Å; I658-L660 HydrophobicContact CG1-CG 4.24Å; I658-I699 HydrophobicContact CD1-CG1 4.16Å; I658-A702 HydrophobicContact CB-CB 4.31Å; I658-A702 HydrophobicContact CD1-CB 4.33Å; I658-A702 HydrophobicContact CG2-CB 3.58Å; I658-G759 CarbonylContact O-C 3.5Å; I658-G759 VanDerWaalsContact O-C 3.31Å; I658-G759 WeakPolarHBondContact O-CA 3.42Å
659	G	98.1	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	30.1	178.1	0	0	0	0	0	115.1	D656 D657 N736 G757 S758 G759	D656-G659 PolarHBondContact O-N 3.21Å; D657-G659 VanDerWaalsContact C-N 3.33Å; G659-N736 VanDerWaalsContact CA-CB 3.5Å; G659-N736 VanDerWaalsContact CA-CG 3.49Å; G659-G757 CarbonylContact O-C 3.37Å; G659-G757 WeakPolarHBondContact O-CA 3.17Å; G659-G757 PolarHBondContact O-N 3.21Å; G659-S758 PolarHBondContact O-N 3.41Å; G659-G759 PolarHBondContact O-N 3.49Å
660	L	98.4	Very high	97.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.			trans	-124	45.8	177.3	-64.4	-179.1	0	0	0	114.1	L655 I658 Q662 Y663 H695 I699 G759	L655-L660 HydrophobicContact CD2-CB 4.36Å; L655-L660 CarbonylContact O-C 3.58Å; L655-L660 VanDerWaalsContact O-C 3.23Å; L655-L660 WeakPolarHBondContact O-CA 3.32Å; L655-L660 PolarHBondContact O-N 2.96Å; I658-L660 HydrophobicContact CD1-CB 4.41Å; I658-L660 HydrophobicContact CD1-CD1 3.93Å; I658-L660 HydrophobicContact CD1-CG 4.35Å; I658-L660 HydrophobicContact CG1-CB 4.18Å; I658-L660 HydrophobicContact CG1-CD1 4.35Å; I658-L660 HydrophobicContact CG1-CG 4.24Å; L660-Q662 VanDerWaalsContact C-OE1 3.23Å; L660-Q662 PolarHBondContact O-N 2.78Å; L660-Y663 HydrophobicContact CB-CD2 4.09Å; L660-Y663 HydrophobicContact CD1-CD2 4.43Å; L660-Y663 HydrophobicContact CD1-CE2 4.5Å; L660-Y663 HydrophobicContact CD2-CE2 4.24Å; L660-Y663 PolarHBondContact O-N 2.75Å; L660-H695 HydrophobicContact CD1-CB 4.25Å; L660-H695 HydrophobicContact CD2-CB 4.27Å; L660-I699 HydrophobicContact CD1-CD1 4.02Å; L660-I699 HydrophobicContact CD1-CG1 3.73Å; L660-G759 VanDerWaalsContact CD2-CA 3.5Å
661	P	97.9	Very high	97.9	Very high	53 Å²	53	38.9 Å²	38.9	34%	0.344	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-59.7	-22.8	-176.8	27	-37.2	0	0	0	114.3	Y663 K664	P661-Y663 PolarHBondContact O-N 3.4Å; P661-K664 HydrophobicContact CB-CD 4.34Å; P661-K664 WeakPolarHBondContact O-CB 3.32Å; P661-K664 WeakPolarHBondContact O-CD 3.39Å; P661-K664 VanDerWaalsContact O-CG 3.25Å; P661-K664 WeakPolarHBondContact O-CG 3.28Å; P661-K664 PolarHBondContact O-N 2.74Å
662	Q	97.5	Very high	97.9	Very high	79 Å²	79	38.9 Å²	38.9	37%	0.369	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-62.8	-20.5	-179.3	65.7	-87.3	21.4	0	0	114.6	L660 G757	L660-Q662 VanDerWaalsContact C-OE1 3.23Å; L660-Q662 PolarHBondContact O-N 2.78Å; Q662-G757 PolarHBondContact NE2-O 2.91Å
663	Y	98.4	Very high	97.9	Very high	28 Å²	28	38 Å²	38	11%	0.11	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-94.2	-2.4	-179.9	-60.4	-54.7	0	0	0	114	L660 P661 S665 Q666 F667 V690 H695	L660-Y663 HydrophobicContact CB-CD2 4.09Å; L660-Y663 HydrophobicContact CD1-CD2 4.43Å; L660-Y663 HydrophobicContact CD1-CE2 4.5Å; L660-Y663 HydrophobicContact CD2-CE2 4.24Å; L660-Y663 PolarHBondContact O-N 2.75Å; P661-Y663 PolarHBondContact O-N 3.4Å; Y663-S665 VanDerWaalsContact C-N 3.34Å; Y663-S665 PolarHBondContact O-N 3.27Å; Y663-Q666 PolarHBondContact O-N 3.48Å; Y663-F667 WeakPolarHBondContact O-CD2 3.5Å; Y663-F667 PolarHBondContact O-N 3.41Å; Y663-F667 VanDerWaalsContact O-N 3.11Å; Y663-V690 HydrophobicContact CD1-CG2 3.95Å; Y663-V690 HydrophobicContact CD2-CG1 4.43Å; Y663-V690 HydrophobicContact CD2-CG2 3.9Å; Y663-V690 HydrophobicContact CE1-CB 4.44Å; Y663-V690 HydrophobicContact CE1-CG2 4.07Å; Y663-V690 HydrophobicContact CE2-CB 4.36Å; Y663-V690 HydrophobicContact CE2-CG1 3.84Å; Y663-V690 HydrophobicContact CE2-CG2 4.02Å; Y663-V690 HydrophobicContact CG-CG2 3.88Å; Y663-H695 HydrophobicContact CE2-CB 4.26Å; Y663-H695 AromaticContact CE2-ND1 3.54Å; Y663-H695 AromaticContact CZ-ND1 3.66Å; Y663-H695 PolarHBondContact OH-ND1 2.85Å
664	K	98.2	Very high	97.9	Very high	57 Å²	57	31.1 Å²	31.1	25%	0.248	16%	0.16	C	C	.	.	H	α-helix	trans	-47.8	-51.3	-176.6	-83.8	174.7	150.6	174.9	0	113.6	T652 L655 D656 P661 Q666 F667 D668	T652-K664 HydrophobicContact CG2-CB 4.18Å; T652-K664 HydrophobicContact CG2-CD 4.49Å; T652-K664 HydrophobicContact CG2-CG 4Å; T652-K664 WeakPolarHBondContact O-CE 3.44Å; L655-K664 HydrophobicContact CB-CG 4.11Å; L655-K664 HydrophobicContact CD1-CG 4.07Å; D656-K664 VanDerWaalsContact OD1-CE 3.3Å; D656-K664 WeakPolarHBondContact OD1-CE 3.49Å; D656-K664 IonicContact OD1-NZ 3.17Å; D656-K664 PolarHBondContact OD1-NZ 3.5Å; D656-K664 WeakPolarHBondContact OD2-CE 3.38Å; D656-K664 IonicContact OD2-NZ 3.94Å; D656-K664 PolarHBondContact OD2-NZ 3.31Å; P661-K664 HydrophobicContact CB-CD 4.34Å; P661-K664 WeakPolarHBondContact O-CB 3.32Å; P661-K664 WeakPolarHBondContact O-CD 3.39Å; P661-K664 VanDerWaalsContact O-CG 3.25Å; P661-K664 WeakPolarHBondContact O-CG 3.28Å; P661-K664 PolarHBondContact O-N 2.74Å; K664-Q666 VanDerWaalsContact C-N 3.27Å; K664-Q666 PolarHBondContact O-N 3.16Å; K664-F667 PolarHBondContact O-N 3Å; K664-D668 WeakPolarHBondContact O-CB 3.34Å; K664-D668 PolarHBondContact O-N 3.44Å
665	S	97.7	Very high	97.8	Very high	84 Å²	84	32.3 Å²	32.3	59%	0.587	16%	0.164	S	C	*	.	H	α-helix	trans	-63.3	-33.7	-175.9	-44.6	0	0	0	0	112.5	Y663 E669	Y663-S665 VanDerWaalsContact C-N 3.34Å; Y663-S665 PolarHBondContact O-N 3.27Å; S665-E669 WeakPolarHBondContact O-CB 3.46Å; S665-E669 PolarHBondContact O-N 3.21Å
666	Q	97.9	Very high	97.8	Very high	38 Å²	38	32.5 Å²	32.5	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-74.3	-39.2	177.4	-69.3	76	70.5	0	0	111.8	Y663 K664 A670 L688 K689	Y663-Q666 PolarHBondContact O-N 3.48Å; K664-Q666 VanDerWaalsContact C-N 3.27Å; K664-Q666 PolarHBondContact O-N 3.16Å; Q666-A670 VanDerWaalsContact O-CB 3.25Å; Q666-A670 WeakPolarHBondContact O-CB 3.38Å; Q666-A670 PolarHBondContact O-N 2.85Å; Q666-L688 HydrophobicContact CB-CD2 4.09Å; Q666-L688 WeakPolarHBondContact O-CD2 3.42Å; Q666-K689 HydrophobicContact CG-CD 4.08Å; Q666-K689 HydrophobicContact CG-CG 4.47Å
667	F	98.4	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-70.1	-37.7	177.9	-83.1	-118	0	0	0	111.8	V651 L655 Y663 K664 R671 V672 L677 M680 L685 L688 V690 I699	V651-F667 HydrophobicContact CG1-CD1 3.94Å; L655-F667 HydrophobicContact CD1-CB 3.79Å; L655-F667 HydrophobicContact CD1-CD1 4.1Å; L655-F667 HydrophobicContact CD1-CD2 4.03Å; L655-F667 HydrophobicContact CD1-CG 3.72Å; L655-F667 HydrophobicContact CD2-CD1 4.5Å; L655-F667 HydrophobicContact CD2-CE1 4.39Å; L655-F667 HydrophobicContact CD2-CZ 4.48Å; Y663-F667 WeakPolarHBondContact O-CD2 3.5Å; Y663-F667 PolarHBondContact O-N 3.41Å; Y663-F667 VanDerWaalsContact O-N 3.11Å; K664-F667 PolarHBondContact O-N 3Å; F667-R671 PolarHBondContact O-N 3.17Å; F667-V672 HydrophobicContact CB-CB 4.32Å; F667-V672 HydrophobicContact CB-CG2 4.25Å; F667-V672 HydrophobicContact CD1-CB 3.76Å; F667-V672 HydrophobicContact CD1-CG1 3.76Å; F667-V672 HydrophobicContact CD1-CG2 3.91Å; F667-V672 HydrophobicContact CE1-CG1 4.08Å; F667-V672 HydrophobicContact CG-CB 4.33Å; F667-V672 HydrophobicContact CG-CG2 4.16Å; F667-V672 PolarHBondContact O-N 2.91Å; F667-L677 HydrophobicContact CE1-CD2 4.24Å; F667-M680 HydrophobicContact CE1-CE 4.38Å; F667-L685 HydrophobicContact CZ-CD2 3.93Å; F667-L688 HydrophobicContact CD2-CB 4.4Å; F667-L688 HydrophobicContact CD2-CD1 4.2Å; F667-L688 HydrophobicContact CD2-CD2 4.1Å; F667-L688 HydrophobicContact CD2-CG 4.47Å; F667-L688 HydrophobicContact CE1-CD1 4.23Å; F667-L688 HydrophobicContact CE2-CB 3.99Å; F667-L688 HydrophobicContact CE2-CD1 3.82Å; F667-L688 HydrophobicContact CE2-CD2 4.42Å; F667-L688 HydrophobicContact CE2-CG 4.3Å; F667-L688 HydrophobicContact CZ-CD1 3.83Å; F667-V690 HydrophobicContact CE2-CG2 4Å; F667-V690 HydrophobicContact CZ-CG2 4.5Å; F667-I699 HydrophobicContact CZ-CD1 4.24Å
668	D	97.9	Very high	97.7	Very high	49 Å²	49	30 Å²	30	26%	0.262	15%	0.151	S	C	.	.	H	α-helix	trans	-68	-48.9	173.2	-175.3	69.8	0	0	0	111.9	Y648 K664 A670 R671	Y648-D668 WeakPolarHBondContact CD2-OD1 3.42Å; Y648-D668 WeakPolarHBondContact CE2-OD1 3.28Å; K664-D668 WeakPolarHBondContact O-CB 3.34Å; K664-D668 PolarHBondContact O-N 3.44Å; D668-A670 PolarHBondContact O-N 3.26Å; D668-R671 WeakPolarHBondContact O-CA 3.46Å; D668-R671 WeakPolarHBondContact O-CD 3.48Å; D668-R671 PolarHBondContact O-N 3.07Å; D668-R671 PolarHBondContact O-NH1 3.31Å; D668-R671 IonicContact OD1-NH1 3.97Å; D668-R671 PolarHBondContact OD1-NH1 3.48Å; D668-R671 IonicContact OD2-CZ 2.63Å; D668-R671 IonicContact OD2-NH1 2.98Å; D668-R671 PolarHBondContact OD2-NH1 3.44Å
669	E	96.6	Very high	97.5	Very high	117 Å²	117	32.5 Å²	32.5	55%	0.547	16%	0.161	S	C	.	.	H	α-helix	trans	-59.5	-27.6	177.5	-178.5	179.4	-162.8	0	0	112.8	Q621 H624 S665	Q621-E669 PolarHBondContact NE2-O 2.7Å; H624-E669 PolarHBondContact CE1-O 3.12Å; H624-E669 PolarHBondContact NE2-O 3.34Å; H624-E669 VanDerWaalsContact NE2-O 3.09Å; S665-E669 WeakPolarHBondContact O-CB 3.46Å; S665-E669 PolarHBondContact O-N 3.21Å
670	A	97.3	Very high	97.5	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	2.1	173.8	0	0	0	0	0	114.6	L623 H624 Q666 D668 V672 L688	L623-A670 HydrophobicContact CB-CB 3.93Å; L623-A670 HydrophobicContact CD1-CB 3.53Å; L623-A670 HydrophobicContact CG-CB 4.39Å; H624-A670 PolarHBondContact CD2-O 3.46Å; Q666-A670 VanDerWaalsContact O-CB 3.25Å; Q666-A670 WeakPolarHBondContact O-CB 3.38Å; Q666-A670 PolarHBondContact O-N 2.85Å; D668-A670 PolarHBondContact O-N 3.26Å; A670-V672 HydrophobicContact CB-CG2 4Å; A670-V672 PolarHBondContact O-N 3.31Å; A670-L688 HydrophobicContact CB-CD2 3.78Å
671	R	97.8	Very high	97.3	Very high	53 Å²	53	33.4 Å²	33.4	20%	0.2	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.8	179.9	-56.6	-67.6	174.9	-129.4	-14.6	114.2	G587 K627 Y648 F667 D668 D673	G587-R671 PolarHBondContact O-NE 2.98Å; G587-R671 VanDerWaalsContact O-NE 3.16Å; K627-R671 HydrophobicContact CD-CB 3.69Å; K627-R671 WeakPolarHBondContact CD-O 3.38Å; K627-R671 VanDerWaalsContact CE-O 3.31Å; K627-R671 WeakPolarHBondContact CE-O 3.27Å; K627-R671 PolarHBondContact NZ-O 3.49Å; Y648-R671 HydrophobicContact CG-CB 4.42Å; F667-R671 PolarHBondContact O-N 3.17Å; D668-R671 WeakPolarHBondContact O-CA 3.46Å; D668-R671 WeakPolarHBondContact O-CD 3.48Å; D668-R671 PolarHBondContact O-N 3.07Å; D668-R671 PolarHBondContact O-NH1 3.31Å; D668-R671 IonicContact OD1-NH1 3.97Å; D668-R671 PolarHBondContact OD1-NH1 3.48Å; D668-R671 IonicContact OD2-CZ 2.63Å; D668-R671 IonicContact OD2-NH1 2.98Å; D668-R671 PolarHBondContact OD2-NH1 3.44Å; R671-D673 PolarHBondContact O-N 3.25Å
672	V	98.4	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.			trans	-60.2	120.5	-176.3	-176.3	0	0	0	0	110.9	Y648 V651 F667 A670 M676 L677 M680 L688	Y648-V672 VanDerWaalsContact CA-O 3.26Å; Y648-V672 WeakPolarHBondContact CA-O 3.14Å; Y648-V672 WeakPolarHBondContact CB-O 3.47Å; V651-V672 VanDerWaalsContact CB-O 3.28Å; V651-V672 WeakPolarHBondContact CB-O 3.09Å; V651-V672 HydrophobicContact CG1-CB 4.43Å; V651-V672 HydrophobicContact CG1-CG1 4.22Å; V651-V672 WeakPolarHBondContact CG2-O 3.43Å; F667-V672 HydrophobicContact CB-CB 4.32Å; F667-V672 HydrophobicContact CB-CG2 4.25Å; F667-V672 HydrophobicContact CD1-CB 3.76Å; F667-V672 HydrophobicContact CD1-CG1 3.76Å; F667-V672 HydrophobicContact CD1-CG2 3.91Å; F667-V672 HydrophobicContact CE1-CG1 4.08Å; F667-V672 HydrophobicContact CG-CB 4.33Å; F667-V672 HydrophobicContact CG-CG2 4.16Å; F667-V672 PolarHBondContact O-N 2.91Å; A670-V672 HydrophobicContact CB-CG2 4Å; A670-V672 PolarHBondContact O-N 3.31Å; V672-M676 HydrophobicContact CB-CE 4.45Å; V672-M676 HydrophobicContact CG1-CB 3.95Å; V672-M676 HydrophobicContact CG2-CE 4.05Å; V672-L677 HydrophobicContact CG1-CD2 4.08Å; V672-L677 HydrophobicContact CG1-CG 4.41Å; V672-M680 HydrophobicContact CG1-CE 3.69Å; V672-L688 HydrophobicContact CG2-CD1 4.07Å; V672-L688 HydrophobicContact CG2-CD2 4.16Å
673	D	97.8	Very high	97	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.027	17%	0.168	C	C	.	.			trans	-113.2	-178.8	178	63.6	28.9	0	0	0	112.5	K627 R671 R675 M676 L677	K627-D673 IonicContact NZ-OD2 2.69Å; K627-D673 PolarHBondContact NZ-OD2 3.14Å; R671-D673 PolarHBondContact O-N 3.25Å; D673-R675 VanDerWaalsContact C-N 3.3Å; D673-R675 PolarHBondContact O-N 3.4Å; D673-R675 WeakPolarHBondContact OD1-CA 3.35Å; D673-R675 VanDerWaalsContact OD1-CB 3.3Å; D673-R675 WeakPolarHBondContact OD1-CB 3.35Å; D673-R675 PolarHBondContact OD1-N 3.46Å; D673-M676 PolarHBondContact O-N 2.72Å; D673-M676 WeakPolarHBondContact OD1-CG 3.45Å; D673-M676 PolarHBondContact OD1-N 3.15Å; D673-L677 WeakPolarHBondContact O-CG 3.5Å; D673-L677 PolarHBondContact O-N 2.85Å
674	G	97.2	Very high	96.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-28.1	179	0	0	0	0	0	115	K643 L646 L677 H678	K643-G674 CarbonylContact O-C 3.23Å; K643-G674 WeakPolarHBondContact O-CA 3.47Å; L646-G674 PolarHBondContact O-N 3.32Å; G674-L677 PolarHBondContact O-N 3.39Å; G674-H678 WeakPolarHBondContact O-CB 3.49Å; G674-H678 PolarHBondContact O-N 2.76Å
675	R	96.1	Very high	96.8	Very high	29 Å²	29	30.7 Å²	30.7	11%	0.109	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-47.2	171.8	-57.2	171.2	174.8	132.9	-1.4	109.6	L630 D641 K643 D673 L677 H678 Y679	L630-R675 HydrophobicContact CB-CB 4.26Å; L630-R675 HydrophobicContact CD1-CB 4.43Å; D641-R675 IonicContact OD2-CZ 3.96Å; D641-R675 IonicContact OD2-NE 2.72Å; D641-R675 PolarHBondContact OD2-NE 2.97Å; D641-R675 IonicContact OD2-NH2 3.1Å; D641-R675 PolarHBondContact OD2-NH2 3.36Å; K643-R675 HydrophobicContact CG-CG 4.25Å; K643-R675 PolarHBondContact O-N 3.24Å; D673-R675 VanDerWaalsContact C-N 3.3Å; D673-R675 PolarHBondContact O-N 3.4Å; D673-R675 WeakPolarHBondContact OD1-CA 3.35Å; D673-R675 VanDerWaalsContact OD1-CB 3.3Å; D673-R675 WeakPolarHBondContact OD1-CB 3.35Å; D673-R675 PolarHBondContact OD1-N 3.46Å; R675-L677 VanDerWaalsContact C-N 3.33Å; R675-L677 PolarHBondContact O-N 2.89Å; R675-H678 WeakPolarHBondContact O-CB 3.43Å; R675-H678 PolarHBondContact O-N 2.83Å; R675-Y679 VanDerWaalsContact O-CD2 3.3Å; R675-Y679 WeakPolarHBondContact O-CD2 3.49Å; R675-Y679 PolarHBondContact O-N 3.2Å
676	M	97.7	Very high	96.6	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-34.5	176.7	-67	174.5	70.8	0	0	112.4	L623 K627 L630 V672 D673 Y679 M680	L623-M676 HydrophobicContact CB-CE 3.87Å; L623-M676 HydrophobicContact CD2-CE 4.07Å; L623-M676 HydrophobicContact CG-CE 4.5Å; L623-M676 WeakPolarHBondContact O-CE 3.18Å; K627-M676 HydrophobicContact CB-CE 4.36Å; K627-M676 HydrophobicContact CB-CG 4.36Å; K627-M676 HydrophobicContact CB-SD 3.43Å; K627-M676 WeakPolarHBondContact CB-SD 3.43Å; K627-M676 HydrophobicContact CD-SD 4.14Å; K627-M676 HydrophobicContact CG-SD 3.67Å; L630-M676 HydrophobicContact CD1-CG 4.1Å; V672-M676 HydrophobicContact CB-CE 4.45Å; V672-M676 HydrophobicContact CG1-CB 3.95Å; V672-M676 HydrophobicContact CG2-CE 4.05Å; D673-M676 PolarHBondContact O-N 2.72Å; D673-M676 WeakPolarHBondContact OD1-CG 3.45Å; D673-M676 PolarHBondContact OD1-N 3.15Å; M676-Y679 CarbonylContact O-C 3.55Å; M676-M680 VanDerWaalsContact O-CA 3.28Å; M676-M680 WeakPolarHBondContact O-CA 3.21Å; M676-M680 WeakPolarHBondContact O-CB 3.33Å; M676-M680 PolarHBondContact O-N 3.38Å
677	L	97.6	Very high	96.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-42.9	170.4	-71.6	-174.8	0	0	0	111.8	W650 V651 W654 F667 V672 D673 G674 R675 M680 I703 L706	W650-L677 HydrophobicContact CZ3-CD1 4.48Å; V651-L677 HydrophobicContact CG1-CD1 4.08Å; V651-L677 HydrophobicContact CG1-CD2 4.25Å; V651-L677 HydrophobicContact CG1-CG 4.28Å; V651-L677 HydrophobicContact CG2-CD1 3.72Å; V651-L677 HydrophobicContact CG2-CG 4.17Å; W654-L677 HydrophobicContact CD2-CD1 4.29Å; W654-L677 HydrophobicContact CE3-CD1 3.95Å; W654-L677 HydrophobicContact CH2-CD1 3.75Å; W654-L677 HydrophobicContact CH2-CD2 3.85Å; W654-L677 HydrophobicContact CH2-CG 4.44Å; W654-L677 HydrophobicContact CZ2-CD1 4.09Å; W654-L677 HydrophobicContact CZ3-CD1 3.68Å; W654-L677 HydrophobicContact CZ3-CD2 3.66Å; W654-L677 HydrophobicContact CZ3-CG 4.35Å; F667-L677 HydrophobicContact CE1-CD2 4.24Å; V672-L677 HydrophobicContact CG1-CD2 4.08Å; V672-L677 HydrophobicContact CG1-CG 4.41Å; D673-L677 WeakPolarHBondContact O-CG 3.5Å; D673-L677 PolarHBondContact O-N 2.85Å; G674-L677 PolarHBondContact O-N 3.39Å; R675-L677 VanDerWaalsContact C-N 3.33Å; R675-L677 PolarHBondContact O-N 2.89Å; L677-M680 HydrophobicContact CD2-CE 4.05Å; L677-M680 WeakPolarHBondContact O-CB 3.43Å; L677-M680 PolarHBondContact O-N 3.41Å; L677-I703 HydrophobicContact CB-CG1 4.35Å; L677-I703 VanDerWaalsContact O-CD1 3.31Å; L677-I703 WeakPolarHBondContact O-CD1 3.46Å; L677-L706 HydrophobicContact CD1-CD1 4.12Å
678	H	95.6	Very high	96.5	Very high	31 Å²	31	30.8 Å²	30.8	14%	0.144	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-43.8	178.7	-176.6	98.7	0	0	0	112.1	K643 G674 R675 Y711 M854	K643-H678 HydrophobicContact CB-CB 4.46Å; K643-H678 HydrophobicContact CD-CB 4.01Å; G674-H678 WeakPolarHBondContact O-CB 3.49Å; G674-H678 PolarHBondContact O-N 2.76Å; R675-H678 WeakPolarHBondContact O-CB 3.43Å; R675-H678 PolarHBondContact O-N 2.83Å; H678-Y711 AromaticContact ND1-CE2 3.64Å; H678-Y711 AromaticContact ND1-CZ 3.45Å; H678-Y711 PolarHBondContact ND1-OH 3.16Å; H678-M854 WeakPolarHBondContact O-CE 3.31Å
679	Y	95.7	Very high	96.4	Very high	54 Å²	54	35.2 Å²	35.2	21%	0.212	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	26.6	178.7	-58.4	-77.5	0	0	0	113.8	K626 L630 K643 R675 M676 T681 Y850 M854	K626-Y679 WeakPolarHBondContact CE-O 3.47Å; K626-Y679 PolarHBondContact NZ-O 3.42Å; L630-Y679 HydrophobicContact CD1-CD2 3.97Å; L630-Y679 HydrophobicContact CD1-CG 4.46Å; L630-Y679 HydrophobicContact CD2-CD2 3.45Å; L630-Y679 VanDerWaalsContact CD2-CD2 3.45Å; L630-Y679 HydrophobicContact CD2-CE2 3.88Å; L630-Y679 HydrophobicContact CD2-CG 3.95Å; L630-Y679 HydrophobicContact CG-CD2 4.32Å; K643-Y679 HydrophobicContact CD-CE2 4.35Å; R675-Y679 VanDerWaalsContact O-CD2 3.3Å; R675-Y679 WeakPolarHBondContact O-CD2 3.49Å; R675-Y679 PolarHBondContact O-N 3.2Å; M676-Y679 CarbonylContact O-C 3.55Å; Y679-T681 PolarHBondContact O-N 3.43Å; Y679-Y850 HydrophobicContact CD1-CE1 4.07Å; Y679-M854 HydrophobicContact CD1-CE 3.46Å; Y679-M854 VanDerWaalsContact CD1-CE 3.46Å; Y679-M854 HydrophobicContact CE1-CE 3.68Å; Y679-M854 HydrophobicContact CG-CE 4.34Å
680	M	96.4	Very high	96.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.148	C	C	.	.			trans	-69.3	126.5	-177.6	-173.8	66.6	66.5	0	0	110.9	F667 V672 M676 L677 D684 L685 L688 I703 Y850 V851	F667-M680 HydrophobicContact CE1-CE 4.38Å; V672-M680 HydrophobicContact CG1-CE 3.69Å; M676-M680 VanDerWaalsContact O-CA 3.28Å; M676-M680 WeakPolarHBondContact O-CA 3.21Å; M676-M680 WeakPolarHBondContact O-CB 3.33Å; M676-M680 PolarHBondContact O-N 3.38Å; L677-M680 HydrophobicContact CD2-CE 4.05Å; L677-M680 WeakPolarHBondContact O-CB 3.43Å; L677-M680 PolarHBondContact O-N 3.41Å; M680-D684 HydrophobicContact SD-CB 3.46Å; M680-D684 WeakPolarHBondContact SD-CB 3.42Å; M680-L685 HydrophobicContact CE-CD2 4.37Å; M680-L685 HydrophobicContact CG-CD2 3.87Å; M680-L685 HydrophobicContact CG-CG 3.81Å; M680-L685 HydrophobicContact SD-CD2 3.76Å; M680-L685 HydrophobicContact SD-CG 4.06Å; M680-L688 HydrophobicContact CE-CD1 4.2Å; M680-L688 HydrophobicContact SD-CD1 4.24Å; M680-I703 HydrophobicContact CB-CD1 4.31Å; M680-Y850 CarbonylContact O-C 3.07Å; M680-Y850 WeakPolarHBondContact O-CA 3.43Å; M680-V851 HydrophobicContact CB-CG2 4.39Å; M680-V851 HydrophobicContact CG-CB 4.45Å; M680-V851 HydrophobicContact CG-CG2 3.89Å; M680-V851 WeakPolarHBondContact O-CG2 3.16Å; M680-V851 PolarHBondContact O-N 3.01Å
681	T	95.5	Very high	96.3	Very high	17 Å²	17	30.8 Å²	30.8	10%	0.104	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-98.7	164.3	174	67.9	0	0	0	0	112.8	Y679 D683 D684 L685 E848 E849 Y850 V851	Y679-T681 PolarHBondContact O-N 3.43Å; T681-D683 VanDerWaalsContact C-N 3.25Å; T681-D683 PolarHBondContact O-N 2.98Å; T681-D684 WeakPolarHBondContact CB-OD2 3.4Å; T681-D684 PolarHBondContact N-OD2 3.15Å; T681-D684 PolarHBondContact O-N 3.46Å; T681-D684 PolarHBondContact OG1-N 3.35Å; T681-D684 VanDerWaalsContact OG1-N 3.14Å; T681-D684 PolarHBondContact OG1-OD2 2.88Å; T681-L685 PolarHBondContact O-N 3.49Å; T681-E848 HydrophobicContact CG2-CB 4.23Å; T681-E849 WeakPolarHBondContact CA-O 3.43Å; T681-Y850 HydrophobicContact CG2-CD1 4.19Å; T681-Y850 HydrophobicContact CG2-CE1 4.48Å; T681-V851 VanDerWaalsContact C-CG2 3.44Å; T681-V851 WeakPolarHBondContact O-CG2 3.44Å
682	V	93.7	Very high	96.1	Very high	30 Å²	30	28.8 Å²	28.8	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-39.7	174.2	175.6	0	0	0	0	111.4	L685 L686 V827 E849 V851	V682-L685 PolarHBondContact O-N 3.35Å; V682-L686 HydrophobicContact CG1-CD1 4.3Å; V682-L686 WeakPolarHBondContact O-CG 3.31Å; V682-L686 PolarHBondContact O-N 3.15Å; V682-V827 HydrophobicContact CG1-CG1 4.13Å; V682-E849 HydrophobicContact CG2-CG 4.01Å; V682-E849 PolarHBondContact N-O 3.36Å; V682-E849 VanDerWaalsContact N-O 3.15Å; V682-V851 HydrophobicContact CG2-CG2 4.49Å
683	D	94.1	Very high	96	Very high	108 Å²	108	30.2 Å²	30.2	58%	0.578	16%	0.163	S	C	*	.	H	α-helix	trans	-74.1	-33.3	179.9	-70.6	-43.9	0	0	0	112.7	T681 L685 L686 S687	T681-D683 VanDerWaalsContact C-N 3.25Å; T681-D683 PolarHBondContact O-N 2.98Å; D683-L685 PolarHBondContact O-N 3.5Å; D683-L686 PolarHBondContact O-N 3.24Å; D683-S687 PolarHBondContact O-N 3.22Å
684	D	96.3	Very high	95.9	Very high	21 Å²	21	30 Å²	30	11%	0.112	16%	0.162	C	C	.	.	H	α-helix	trans	-57	-49	170	-66.4	-51.6	0	0	0	110.4	L623 K626 M680 T681 L686 S687 L688	L623-D684 HydrophobicContact CD2-CB 4Å; L623-D684 WeakPolarHBondContact CD2-OD1 3.4Å; K626-D684 IonicContact NZ-OD1 2.76Å; K626-D684 IonicContact NZ-OD2 3.64Å; K626-D684 PolarHBondContact NZ-OD2 3.43Å; M680-D684 HydrophobicContact SD-CB 3.46Å; M680-D684 WeakPolarHBondContact SD-CB 3.42Å; T681-D684 WeakPolarHBondContact CB-OD2 3.4Å; T681-D684 PolarHBondContact N-OD2 3.15Å; T681-D684 PolarHBondContact O-N 3.46Å; T681-D684 PolarHBondContact OG1-N 3.35Å; T681-D684 VanDerWaalsContact OG1-N 3.14Å; T681-D684 PolarHBondContact OG1-OD2 2.88Å; D684-L686 PolarHBondContact O-N 3.17Å; D684-S687 PolarHBondContact O-N 2.8Å; D684-S687 PolarHBondContact O-OG 3.05Å; D684-L688 WeakPolarHBondContact O-CG 3.4Å; D684-L688 PolarHBondContact O-N 3.2Å
685	L	96.4	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-36.7	177	-75.5	-168.5	0	0	0	113.5	F667 M680 T681 V682 D683 S687 L688 K689 V690 I699 V851	F667-L685 HydrophobicContact CZ-CD2 3.93Å; M680-L685 HydrophobicContact CE-CD2 4.37Å; M680-L685 HydrophobicContact CG-CD2 3.87Å; M680-L685 HydrophobicContact CG-CG 3.81Å; M680-L685 HydrophobicContact SD-CD2 3.76Å; M680-L685 HydrophobicContact SD-CG 4.06Å; T681-L685 PolarHBondContact O-N 3.49Å; V682-L685 PolarHBondContact O-N 3.35Å; D683-L685 PolarHBondContact O-N 3.5Å; L685-S687 VanDerWaalsContact C-N 3.34Å; L685-L688 HydrophobicContact CD2-CD1 4.29Å; L685-L688 CarbonylContact O-C 3.25Å; L685-L688 PolarHBondContact O-N 3.23Å; L685-K689 PolarHBondContact O-N 3.45Å; L685-V690 HydrophobicContact CB-CB 4.22Å; L685-V690 HydrophobicContact CD2-CG2 4.26Å; L685-V690 WeakPolarHBondContact O-CB 3.3Å; L685-V690 PolarHBondContact O-N 3.39Å; L685-I699 HydrophobicContact CD1-CB 4.3Å; L685-I699 HydrophobicContact CD1-CD1 4.06Å; L685-I699 HydrophobicContact CD1-CG2 4.12Å; L685-I699 HydrophobicContact CD2-CD1 3.8Å; L685-I699 HydrophobicContact CD2-CG2 4.33Å; L685-V851 HydrophobicContact CD1-CB 4.41Å; L685-V851 HydrophobicContact CD1-CG1 3.96Å; L685-V851 HydrophobicContact CD1-CG2 3.58Å; L685-V851 HydrophobicContact CG-CG2 3.96Å
686	L	95.1	Very high	96	Very high	47 Å²	47	30.4 Å²	30.4	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-38.3	173.8	-72.1	172.9	0	0	0	111.5	V682 D683 D684 L688 K689 V827 P829	V682-L686 HydrophobicContact CG1-CD1 4.3Å; V682-L686 WeakPolarHBondContact O-CG 3.31Å; V682-L686 PolarHBondContact O-N 3.15Å; D683-L686 PolarHBondContact O-N 3.24Å; D684-L686 PolarHBondContact O-N 3.17Å; L686-L688 VanDerWaalsContact C-N 3.32Å; L686-L688 PolarHBondContact O-N 3.16Å; L686-K689 PolarHBondContact O-N 3.39Å; L686-V827 HydrophobicContact CD1-CG1 4.45Å; L686-V827 HydrophobicContact CD2-CB 4.22Å; L686-V827 HydrophobicContact CD2-CG1 4.35Å; L686-P829 HydrophobicContact CD1-CB 4.15Å
687	S	95.4	Very high	95.9	Very high	73 Å²	73	31.3 Å²	31.3	51%	0.51	17%	0.17	S	C	.	.	H	α-helix	trans	-65.8	-34.5	174.1	83.4	0	0	0	0	112.5	D683 D684 L685 K689	D683-S687 PolarHBondContact O-N 3.22Å; D684-S687 PolarHBondContact O-N 2.8Å; D684-S687 PolarHBondContact O-OG 3.05Å; L685-S687 VanDerWaalsContact C-N 3.34Å; S687-K689 PolarHBondContact O-N 3.37Å; S687-K689 VanDerWaalsContact O-N 3.15Å
688	L	97.1	Very high	95.9	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	9.9	171.1	-68.3	164.3	0	0	0	113.5	L623 Q666 F667 A670 V672 M680 D684 L685 L686 V690	L623-L688 HydrophobicContact CD1-CD1 4.16Å; L623-L688 HydrophobicContact CD1-CD2 3.65Å; L623-L688 HydrophobicContact CD1-CG 3.71Å; Q666-L688 HydrophobicContact CB-CD2 4.09Å; Q666-L688 WeakPolarHBondContact O-CD2 3.42Å; F667-L688 HydrophobicContact CD2-CB 4.4Å; F667-L688 HydrophobicContact CD2-CD1 4.2Å; F667-L688 HydrophobicContact CD2-CD2 4.1Å; F667-L688 HydrophobicContact CD2-CG 4.47Å; F667-L688 HydrophobicContact CE1-CD1 4.23Å; F667-L688 HydrophobicContact CE2-CB 3.99Å; F667-L688 HydrophobicContact CE2-CD1 3.82Å; F667-L688 HydrophobicContact CE2-CD2 4.42Å; F667-L688 HydrophobicContact CE2-CG 4.3Å; F667-L688 HydrophobicContact CZ-CD1 3.83Å; A670-L688 HydrophobicContact CB-CD2 3.78Å; V672-L688 HydrophobicContact CG2-CD1 4.07Å; V672-L688 HydrophobicContact CG2-CD2 4.16Å; M680-L688 HydrophobicContact CE-CD1 4.2Å; M680-L688 HydrophobicContact SD-CD1 4.24Å; D684-L688 WeakPolarHBondContact O-CG 3.4Å; D684-L688 PolarHBondContact O-N 3.2Å; L685-L688 HydrophobicContact CD2-CD1 4.29Å; L685-L688 CarbonylContact O-C 3.25Å; L685-L688 PolarHBondContact O-N 3.23Å; L686-L688 VanDerWaalsContact C-N 3.32Å; L686-L688 PolarHBondContact O-N 3.16Å; L688-V690 HydrophobicContact CB-CG2 4.24Å; L688-V690 PolarHBondContact O-N 3.03Å
689	K	95.9	Very high	96	Very high	142 Å²	142	29.8 Å²	29.8	62%	0.617	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	14.3	179.6	-52	172.8	-173.5	166.7	0	114.3	Q666 L685 L686 S687 G691	Q666-K689 HydrophobicContact CG-CD 4.08Å; Q666-K689 HydrophobicContact CG-CG 4.47Å; L685-K689 PolarHBondContact O-N 3.45Å; L686-K689 PolarHBondContact O-N 3.39Å; S687-K689 PolarHBondContact O-N 3.37Å; S687-K689 VanDerWaalsContact O-N 3.15Å; K689-G691 VanDerWaalsContact C-N 3.35Å; K689-G691 PolarHBondContact O-N 3.03Å
690	V	96.8	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.			trans	-78.2	84.4	174	-169.4	0	0	0	0	109	Y663 F667 L685 L688 H695 H696 I699	Y663-V690 HydrophobicContact CD1-CG2 3.95Å; Y663-V690 HydrophobicContact CD2-CG1 4.43Å; Y663-V690 HydrophobicContact CD2-CG2 3.9Å; Y663-V690 HydrophobicContact CE1-CB 4.44Å; Y663-V690 HydrophobicContact CE1-CG2 4.07Å; Y663-V690 HydrophobicContact CE2-CB 4.36Å; Y663-V690 HydrophobicContact CE2-CG1 3.84Å; Y663-V690 HydrophobicContact CE2-CG2 4.02Å; Y663-V690 HydrophobicContact CG-CG2 3.88Å; F667-V690 HydrophobicContact CE2-CG2 4Å; F667-V690 HydrophobicContact CZ-CG2 4.5Å; L685-V690 HydrophobicContact CB-CB 4.22Å; L685-V690 HydrophobicContact CD2-CG2 4.26Å; L685-V690 WeakPolarHBondContact O-CB 3.3Å; L685-V690 PolarHBondContact O-N 3.39Å; L688-V690 HydrophobicContact CB-CG2 4.24Å; L688-V690 PolarHBondContact O-N 3.03Å; V690-H695 HydrophobicContact CG1-CB 3.7Å; V690-H696 PolarHBondContact O-CD2 3.49Å; V690-H696 PolarHBondContact O-NE2 3.16Å; V690-I699 HydrophobicContact CG1-CD1 4.03Å; V690-I699 HydrophobicContact CG2-CD1 4.33Å
691	G	94.8	Very high	96.1	Very high	26 Å²	26	30.8 Å²	30.8	27%	0.268	17%	0.167	S	C	.	.			trans	-89.9	-10.1	-174	0	0	0	0	0	116.7	K689 K826 V827	K689-G691 VanDerWaalsContact C-N 3.35Å; K689-G691 PolarHBondContact O-N 3.03Å; G691-K826 CarbonylContact O-C 3.55Å; G691-K826 VanDerWaalsContact O-CA 3.23Å; G691-K826 WeakPolarHBondContact O-CA 3.36Å; G691-V827 PolarHBondContact O-N 2.8Å
692	S	95.3	Very high	96.2	Very high	11 Å²	11	30.1 Å²	30.1	8%	0.077	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-91.2	135.6	-174.9	179.5	0	0	0	0	112.5	L694 H695 H696 A823	S692-L694 VanDerWaalsContact C-N 3.25Å; S692-L694 PolarHBondContact O-N 2.87Å; S692-L694 PolarHBondContact OG-N 3.36Å; S692-H695 PolarHBondContact O-N 2.93Å; S692-H695 VanDerWaalsContact O-N 3.16Å; S692-H696 PolarHBondContact O-CD2 3.24Å; S692-H696 PolarHBondContact O-N 3.33Å; S692-A823 PolarHBondContact OG-O 3.25Å
693	V	95	Very high	96.4	Very high	31 Å²	31	28.7 Å²	28.7	19%	0.188	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-37.4	174.2	172.3	0	0	0	0	111.1	H695 H696 L697 L821 T825 V827	V693-H695 VanDerWaalsContact C-N 3.34Å; V693-H695 PolarHBondContact O-N 3.26Å; V693-H696 PolarHBondContact O-N 2.93Å; V693-L697 HydrophobicContact CG1-CD1 4.34Å; V693-L697 WeakPolarHBondContact O-CG 3.4Å; V693-L697 PolarHBondContact O-N 2.98Å; V693-L821 HydrophobicContact CG1-CD2 4.3Å; V693-T825 HydrophobicContact CB-CG2 4.12Å; V693-T825 HydrophobicContact CG2-CG2 3.78Å; V693-T825 PolarHBondContact N-O 2.83Å; V693-V827 HydrophobicContact CB-CG2 4.45Å; V693-V827 HydrophobicContact CG2-CB 4.43Å; V693-V827 HydrophobicContact CG2-CG2 3.75Å
694	L	96.3	Very high	96.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-41.5	176.7	-179.1	66.3	0	0	0	111.3	S692 L697 S698 L764 F771 L779 L821 A823	S692-L694 VanDerWaalsContact C-N 3.25Å; S692-L694 PolarHBondContact O-N 2.87Å; S692-L694 PolarHBondContact OG-N 3.36Å; L694-L697 PolarHBondContact O-N 2.83Å; L694-S698 WeakPolarHBondContact O-CB 3.42Å; L694-S698 PolarHBondContact O-N 3.3Å; L694-L764 HydrophobicContact CD1-CD2 4.23Å; L694-F771 HydrophobicContact CD1-CD2 4.25Å; L694-F771 HydrophobicContact CD1-CE2 4.45Å; L694-L779 HydrophobicContact CD1-CD1 4.47Å; L694-L779 HydrophobicContact CD2-CD1 3.75Å; L694-L779 HydrophobicContact CD2-CD2 3.61Å; L694-L779 HydrophobicContact CD2-CG 4.3Å; L694-L821 HydrophobicContact CD1-CD1 4.35Å; L694-A823 HydrophobicContact CD2-CB 4.26Å
695	H	97.6	Very high	96.4	Very high	18 Å²	18	22.8 Å²	22.8	8%	0.083	12%	0.123	C	C	.	.	H	α-helix	trans	-73.6	-31.2	179.8	-59.2	170.2	0	0	0	112.2	L660 Y663 V690 S692 V693 S698 I699	L660-H695 HydrophobicContact CD1-CB 4.25Å; L660-H695 HydrophobicContact CD2-CB 4.27Å; Y663-H695 HydrophobicContact CE2-CB 4.26Å; Y663-H695 AromaticContact CE2-ND1 3.54Å; Y663-H695 AromaticContact CZ-ND1 3.66Å; Y663-H695 PolarHBondContact OH-ND1 2.85Å; V690-H695 HydrophobicContact CG1-CB 3.7Å; S692-H695 PolarHBondContact O-N 2.93Å; S692-H695 VanDerWaalsContact O-N 3.16Å; V693-H695 VanDerWaalsContact C-N 3.34Å; V693-H695 PolarHBondContact O-N 3.26Å; H695-S698 WeakPolarHBondContact O-CB 3.44Å; H695-S698 PolarHBondContact O-N 3.12Å; H695-I699 WeakPolarHBondContact O-CG1 3.47Å; H695-I699 PolarHBondContact O-N 3.21Å
696	H	96.9	Very high	96.4	Very high	18 Å²	18	22.8 Å²	22.8	8%	0.083	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-45.4	168.2	-84.2	-125.9	0	0	0	111.6	V690 S692 V693 I699 K700 V827	V690-H696 PolarHBondContact O-CD2 3.49Å; V690-H696 PolarHBondContact O-NE2 3.16Å; S692-H696 PolarHBondContact O-CD2 3.24Å; S692-H696 PolarHBondContact O-N 3.33Å; V693-H696 PolarHBondContact O-N 2.93Å; H696-I699 PolarHBondContact O-N 3.07Å; H696-K700 VanDerWaalsContact O-CB 3.31Å; H696-K700 WeakPolarHBondContact O-CB 3.45Å; H696-K700 PolarHBondContact O-N 3.37Å; H696-V827 HydrophobicContact CB-CG2 4.44Å
697	L	96.1	Very high	96.3	Very high	22 Å²	22	22.2 Å²	22.2	12%	0.115	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-37.5	175.7	-69.4	176.3	0	0	0	112.5	V693 L694 K700 R701 L764 E768 L821	V693-L697 HydrophobicContact CG1-CD1 4.34Å; V693-L697 WeakPolarHBondContact O-CG 3.4Å; V693-L697 PolarHBondContact O-N 2.98Å; L694-L697 PolarHBondContact O-N 2.83Å; L697-K700 HydrophobicContact CD2-CD 4.4Å; L697-K700 WeakPolarHBondContact O-CB 3.48Å; L697-K700 PolarHBondContact O-N 3.47Å; L697-R701 WeakPolarHBondContact O-CG 3.09Å; L697-R701 PolarHBondContact O-N 3.39Å; L697-L764 HydrophobicContact CB-CD1 4.21Å; L697-E768 HydrophobicContact CD1-CG 4.32Å; L697-L821 HydrophobicContact CD1-CD1 3.82Å; L697-L821 HydrophobicContact CD1-CD2 3.62Å; L697-L821 HydrophobicContact CD1-CG 4.39Å
698	S	98.3	Very high	96.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.2	-55.4	171.3	174.4	0	0	0	0	111.1	L694 H695 K700 R701 A702 G759 H761	L694-S698 WeakPolarHBondContact O-CB 3.42Å; L694-S698 PolarHBondContact O-N 3.3Å; H695-S698 WeakPolarHBondContact O-CB 3.44Å; H695-S698 PolarHBondContact O-N 3.12Å; S698-K700 VanDerWaalsContact C-N 3.32Å; S698-K700 PolarHBondContact O-N 2.92Å; S698-R701 PolarHBondContact O-N 3Å; S698-A702 WeakPolarHBondContact O-CB 3.08Å; S698-A702 PolarHBondContact O-N 2.76Å; S698-G759 WeakPolarHBondContact OG-CA 3.49Å; S698-G759 PolarHBondContact OG-O 3.26Å; S698-H761 PolarHBondContact O-CE1 3.38Å; S698-H761 VanDerWaalsContact O-CE1 3.27Å; S698-H761 PolarHBondContact OG-CE1 3.03Å
699	I	98.3	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-40.4	-179.2	-68.3	169.4	0	0	0	110.6	I658 L660 F667 L685 V690 H695 H696 R701 A702 I703 V851	I658-I699 HydrophobicContact CD1-CG1 4.16Å; L660-I699 HydrophobicContact CD1-CD1 4.02Å; L660-I699 HydrophobicContact CD1-CG1 3.73Å; F667-I699 HydrophobicContact CZ-CD1 4.24Å; L685-I699 HydrophobicContact CD1-CB 4.3Å; L685-I699 HydrophobicContact CD1-CD1 4.06Å; L685-I699 HydrophobicContact CD1-CG2 4.12Å; L685-I699 HydrophobicContact CD2-CD1 3.8Å; L685-I699 HydrophobicContact CD2-CG2 4.33Å; V690-I699 HydrophobicContact CG1-CD1 4.03Å; V690-I699 HydrophobicContact CG2-CD1 4.33Å; H695-I699 WeakPolarHBondContact O-CG1 3.47Å; H695-I699 PolarHBondContact O-N 3.21Å; H696-I699 PolarHBondContact O-N 3.07Å; I699-R701 PolarHBondContact O-N 3.38Å; I699-A702 PolarHBondContact O-N 3.33Å; I699-I703 HydrophobicContact CG2-CD1 3.57Å; I699-I703 HydrophobicContact CG2-CG1 4.3Å; I699-I703 WeakPolarHBondContact O-CB 3.36Å; I699-I703 WeakPolarHBondContact O-CD1 3.37Å; I699-I703 VanDerWaalsContact O-CG1 3.22Å; I699-I703 WeakPolarHBondContact O-CG1 3.3Å; I699-I703 PolarHBondContact O-N 3.02Å; I699-V851 HydrophobicContact CG2-CG1 4.35Å
700	K	96.9	Very high	95.6	Very high	50 Å²	50	18.4 Å²	18.4	22%	0.217	10%	0.098	C	C	.	.	H	α-helix	trans	-53.4	-54.9	172.8	175.8	173.7	-169.1	166.3	0	112.5	H696 L697 S698 I703 Q704 V851 C852	H696-K700 VanDerWaalsContact O-CB 3.31Å; H696-K700 WeakPolarHBondContact O-CB 3.45Å; H696-K700 PolarHBondContact O-N 3.37Å; L697-K700 HydrophobicContact CD2-CD 4.4Å; L697-K700 WeakPolarHBondContact O-CB 3.48Å; L697-K700 PolarHBondContact O-N 3.47Å; S698-K700 VanDerWaalsContact C-N 3.32Å; S698-K700 PolarHBondContact O-N 2.92Å; K700-I703 PolarHBondContact O-N 3.23Å; K700-Q704 PolarHBondContact O-N 3.02Å; K700-V851 HydrophobicContact CB-CG1 3.84Å; K700-V851 WeakPolarHBondContact CD-O 3.26Å; K700-V851 WeakPolarHBondContact CE-O 3.4Å; K700-V851 WeakPolarHBondContact CG-O 3.38Å; K700-C852 HydrophobicContact CG-CB 4.23Å
701	R	97.3	Very high	95.6	Very high	28 Å²	28	19.1 Å²	19.1	11%	0.106	10%	0.101	C	C	.	.	H	α-helix	trans	-72.6	-30.3	-176.8	-60.5	-48.2	178.4	160	5.8	112.4	L697 S698 I699 Q704 V705 L764 L767 E768	L697-R701 WeakPolarHBondContact O-CG 3.09Å; L697-R701 PolarHBondContact O-N 3.39Å; S698-R701 PolarHBondContact O-N 3Å; I699-R701 PolarHBondContact O-N 3.38Å; R701-Q704 WeakPolarHBondContact O-CB 3.3Å; R701-Q704 PolarHBondContact O-N 2.87Å; R701-V705 WeakPolarHBondContact O-CG2 3.44Å; R701-V705 PolarHBondContact O-N 3.28Å; R701-L764 HydrophobicContact CG-CD1 4.44Å; R701-L767 HydrophobicContact CG-CB 4.33Å; R701-L767 PolarHBondContact NE-O 3.3Å; R701-L767 PolarHBondContact NH1-O 2.88Å; R701-L767 VanDerWaalsContact NH1-O 3.13Å; R701-L767 PolarHBondContact NH2-O 3.01Å; R701-E768 HydrophobicContact CG-CB 4.04Å; R701-E768 IonicContact CZ-OE2 3.97Å; R701-E768 IonicContact NE-OE2 3.19Å; R701-E768 PolarHBondContact NE-OE2 3.32Å; R701-E768 IonicContact NH2-OE1 3.65Å; R701-E768 IonicContact NH2-OE2 3.59Å; R701-E768 PolarHBondContact NH2-OE2 3.33Å
702	A	97.8	Very high	95.4	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-44.1	170.9	0	0	0	0	0	112.2	W654 I658 S698 I699 Q704 V705 L706	W654-A702 HydrophobicContact CH2-CB 4.14Å; W654-A702 HydrophobicContact CZ2-CB 3.45Å; W654-A702 VanDerWaalsContact CZ2-CB 3.45Å; I658-A702 HydrophobicContact CB-CB 4.31Å; I658-A702 HydrophobicContact CD1-CB 4.33Å; I658-A702 HydrophobicContact CG2-CB 3.58Å; S698-A702 WeakPolarHBondContact O-CB 3.08Å; S698-A702 PolarHBondContact O-N 2.76Å; I699-A702 PolarHBondContact O-N 3.33Å; A702-Q704 VanDerWaalsContact C-N 3.3Å; A702-Q704 PolarHBondContact O-N 3.2Å; A702-V705 PolarHBondContact O-N 3.03Å; A702-L706 WeakPolarHBondContact O-CG 3.37Å; A702-L706 PolarHBondContact O-N 3.03Å
703	I	97	Very high	95.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-39.2	173.2	-65.8	159.5	0	0	0	110.7	W654 L677 M680 I699 K700 L706 R707 C852	W654-I703 HydrophobicContact CH2-CG1 4.27Å; W654-I703 HydrophobicContact CZ2-CG1 4.5Å; L677-I703 HydrophobicContact CB-CG1 4.35Å; L677-I703 VanDerWaalsContact O-CD1 3.31Å; L677-I703 WeakPolarHBondContact O-CD1 3.46Å; M680-I703 HydrophobicContact CB-CD1 4.31Å; I699-I703 HydrophobicContact CG2-CD1 3.57Å; I699-I703 HydrophobicContact CG2-CG1 4.3Å; I699-I703 WeakPolarHBondContact O-CB 3.36Å; I699-I703 WeakPolarHBondContact O-CD1 3.37Å; I699-I703 VanDerWaalsContact O-CG1 3.22Å; I699-I703 WeakPolarHBondContact O-CG1 3.3Å; I699-I703 PolarHBondContact O-N 3.02Å; K700-I703 PolarHBondContact O-N 3.23Å; I703-L706 PolarHBondContact O-N 3.17Å; I703-R707 PolarHBondContact O-N 3.33Å; I703-C852 HydrophobicContact CB-CB 4.01Å; I703-C852 HydrophobicContact CG2-CB 3.74Å
704	Q	95.3	Very high	95	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-41.5	174.1	-168.9	-179	0.9	0	0	111.8	K700 R701 A702 R707 L708 L767	K700-Q704 PolarHBondContact O-N 3.02Å; R701-Q704 WeakPolarHBondContact O-CB 3.3Å; R701-Q704 PolarHBondContact O-N 2.87Å; A702-Q704 VanDerWaalsContact C-N 3.3Å; A702-Q704 PolarHBondContact O-N 3.2Å; Q704-R707 PolarHBondContact O-N 3.32Å; Q704-L708 HydrophobicContact CG-CD1 4.19Å; Q704-L708 WeakPolarHBondContact O-CB 3.47Å; Q704-L708 WeakPolarHBondContact O-CG 3.43Å; Q704-L708 PolarHBondContact O-N 3.14Å; Q704-L767 HydrophobicContact CB-CD1 4.45Å; Q704-L767 HydrophobicContact CG-CD1 4.25Å
705	V	95.3	Very high	94.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-42.4	174	170.6	0	0	0	0	111.2	R701 A702 R707 L708 N709 L716 S732 L767	R701-V705 WeakPolarHBondContact O-CG2 3.44Å; R701-V705 PolarHBondContact O-N 3.28Å; A702-V705 PolarHBondContact O-N 3.03Å; V705-R707 VanDerWaalsContact C-N 3.32Å; V705-R707 PolarHBondContact O-N 3.15Å; V705-L708 PolarHBondContact O-N 3.44Å; V705-N709 PolarHBondContact O-N 3.05Å; V705-N709 VanDerWaalsContact O-N 3.15Å; V705-N709 PolarHBondContact O-ND2 2.94Å; V705-L716 HydrophobicContact CG1-CD2 3.78Å; V705-S732 WeakPolarHBondContact CG2-O 3.42Å; V705-L767 HydrophobicContact CG2-CD1 3.78Å
706	L	95.4	Very high	94.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-42.9	173.9	-61.1	-173.7	0	0	0	111.5	L646 W650 W654 L677 A702 I703 N709 N710 Y711	L646-L706 HydrophobicContact CD1-CD1 4.28Å; W650-L706 HydrophobicContact CH2-CD1 3.82Å; W650-L706 HydrophobicContact CH2-CD2 3.79Å; W650-L706 HydrophobicContact CH2-CG 4.47Å; W650-L706 HydrophobicContact CZ2-CD2 4.45Å; W650-L706 HydrophobicContact CZ3-CD1 4.06Å; W654-L706 HydrophobicContact CZ2-CD1 4.01Å; L677-L706 HydrophobicContact CD1-CD1 4.12Å; A702-L706 WeakPolarHBondContact O-CG 3.37Å; A702-L706 PolarHBondContact O-N 3.03Å; I703-L706 PolarHBondContact O-N 3.17Å; L706-N709 CarbonylContact O-C 3.47Å; L706-N709 VanDerWaalsContact O-C 3.29Å; L706-N709 PolarHBondContact O-N 2.95Å; L706-N709 VanDerWaalsContact O-N 3.14Å; L706-N710 PolarHBondContact O-N 3.35Å; L706-Y711 HydrophobicContact CB-CD1 3.7Å; L706-Y711 HydrophobicContact CB-CE1 3.68Å; L706-Y711 HydrophobicContact CB-CG 4.45Å; L706-Y711 HydrophobicContact CD1-CD1 4.24Å; L706-Y711 HydrophobicContact CD1-CE1 4.31Å; L706-Y711 PolarHBondContact O-N 2.76Å
707	R	93.1	Very high	94.1	Very high	34 Å²	34	32.4 Å²	32.4	13%	0.128	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-39.3	177.6	-162.6	-175.1	-64.6	159.2	-0.3	112.6	I703 Q704 V705 N709 N710 Y711 C852 P853 M854	I703-R707 PolarHBondContact O-N 3.33Å; Q704-R707 PolarHBondContact O-N 3.32Å; V705-R707 VanDerWaalsContact C-N 3.32Å; V705-R707 PolarHBondContact O-N 3.15Å; R707-N709 PolarHBondContact O-N 3.07Å; R707-N710 PolarHBondContact O-N 3.46Å; R707-Y711 HydrophobicContact CB-CE2 4.13Å; R707-Y711 HydrophobicContact CG-CE2 4.16Å; R707-C852 PolarHBondContact NH2-O 3.19Å; R707-P853 PolarHBondContact NH1-O 2.69Å; R707-M854 PolarHBondContact NH1-O 2.69Å; R707-M854 PolarHBondContact NH2-SD 2.87Å
708	L	91.1	Very high	93.5	Very high	38 Å²	38	37.4 Å²	37.4	20%	0.199	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-13.3	173.6	-77.6	167.9	0	0	0	113.9	Q704 V705 L767 M858 F864	Q704-L708 HydrophobicContact CG-CD1 4.19Å; Q704-L708 WeakPolarHBondContact O-CB 3.47Å; Q704-L708 WeakPolarHBondContact O-CG 3.43Å; Q704-L708 PolarHBondContact O-N 3.14Å; V705-L708 PolarHBondContact O-N 3.44Å; L708-L767 HydrophobicContact CD1-CD1 4.04Å; L708-M858 HydrophobicContact CD2-CG 4.43Å; L708-M858 HydrophobicContact CD2-SD 3.58Å; L708-M858 VanDerWaalsContact CD2-SD 3.58Å; L708-M858 HydrophobicContact CG-SD 4.2Å; L708-F864 HydrophobicContact CD1-CD1 4.33Å; L708-F864 HydrophobicContact CD1-CE1 4.36Å
709	N	91.6	Very high	92.5	Very high	34 Å²	34	47 Å²	47	18%	0.182	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	29.8	178.9	-64.5	-98.8	0	0	0	110.8	V705 L706 R707 Y711 E712 C715 Q733	V705-N709 PolarHBondContact O-N 3.05Å; V705-N709 VanDerWaalsContact O-N 3.15Å; V705-N709 PolarHBondContact O-ND2 2.94Å; L706-N709 CarbonylContact O-C 3.47Å; L706-N709 VanDerWaalsContact O-C 3.29Å; L706-N709 PolarHBondContact O-N 2.95Å; L706-N709 VanDerWaalsContact O-N 3.14Å; R707-N709 PolarHBondContact O-N 3.07Å; N709-Y711 PolarHBondContact O-N 3.35Å; N709-E712 WeakPolarHBondContact O-CB 3.23Å; N709-E712 PolarHBondContact O-N 3.17Å; N709-C715 HydrophobicContact CB-CB 3.56Å; N709-Q733 PolarHBondContact OD1-NE2 3.16Å
710	N	92.6	Very high	90.7	Very high	67 Å²	67	49.7 Å²	49.7	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	28.9	174.5	-65	-26	0	0	0	115.9	N642 L706 R707 E712 Q871	N642-N710 WeakPolarHBondContact CB-O 3.45Å; L706-N710 PolarHBondContact O-N 3.35Å; R707-N710 PolarHBondContact O-N 3.46Å; N710-E712 PolarHBondContact O-N 2.88Å; N710-Q871 VanDerWaalsContact ND2-CD 3.34Å; N710-Q871 PolarHBondContact ND2-NE2 2.91Å; N710-Q871 PolarHBondContact ND2-OE1 3.33Å
711	Y	94.8	Very high	89	Confident	15 Å²	15	50.2 Å²	50.2	6%	0.059	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	26.8	-174.7	-64.7	-87.9	0	0	0	114.6	K643 L646 H678 L706 R707 N709	K643-Y711 HydrophobicContact CB-CD1 4.21Å; K643-Y711 HydrophobicContact CB-CD2 4.15Å; K643-Y711 HydrophobicContact CB-CE1 4.48Å; K643-Y711 HydrophobicContact CB-CE2 4.42Å; K643-Y711 HydrophobicContact CB-CG 4.06Å; L646-Y711 HydrophobicContact CD1-CD1 3.86Å; L646-Y711 HydrophobicContact CD1-CG 4.41Å; L646-Y711 WeakPolarHBondContact CD2-O 3.48Å; H678-Y711 AromaticContact ND1-CE2 3.64Å; H678-Y711 AromaticContact ND1-CZ 3.45Å; H678-Y711 PolarHBondContact ND1-OH 3.16Å; L706-Y711 HydrophobicContact CB-CD1 3.7Å; L706-Y711 HydrophobicContact CB-CE1 3.68Å; L706-Y711 HydrophobicContact CB-CG 4.45Å; L706-Y711 HydrophobicContact CD1-CD1 4.24Å; L706-Y711 HydrophobicContact CD1-CE1 4.31Å; L706-Y711 PolarHBondContact O-N 2.76Å; R707-Y711 HydrophobicContact CB-CE2 4.13Å; R707-Y711 HydrophobicContact CG-CE2 4.16Å; N709-Y711 PolarHBondContact O-N 3.35Å
712	E	91.9	Very high	87.1	Confident	92 Å²	92	56.4 Å²	56.4	43%	0.43	28%	0.277	S	S	.	.			trans	-59.7	124.6	176.9	-99.7	-60.2	120.6	0	0	112.6	N709 N710 N714 C715	N709-E712 WeakPolarHBondContact O-CB 3.23Å; N709-E712 PolarHBondContact O-N 3.17Å; N710-E712 PolarHBondContact O-N 2.88Å; E712-N714 PolarHBondContact O-N 3.06Å; E712-C715 HydrophobicContact CB-CB 4.13Å; E712-C715 WeakPolarHBondContact O-CB 3.43Å; E712-C715 PolarHBondContact O-N 3.34Å; E712-C715 VanDerWaalsContact O-N 3.15Å; E712-C715 PolarHBondContact O-SG 2.88Å; E712-C715 VanDerWaalsContact O-SG 3.4Å
713	P	91.6	Very high	85.4	Confident	41 Å²	41	61.7 Å²	61.7	27%	0.266	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.5	-173.7	-22.7	29.3	0	0	0	115.8	L646 W650	L646-P713 HydrophobicContact CD2-CB 3.9Å; L646-P713 HydrophobicContact CD2-CG 3.8Å; W650-P713 PolarHBondContact NE1-O 3.34Å
714	N	90.5	Very high	83.7	Confident	138 Å²	138	68.9 Å²	68.9	74%	0.738	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	13.6	-175.5	-57.3	-72	0	0	0	113.3	E712 L716	E712-N714 PolarHBondContact O-N 3.06Å; N714-L716 PolarHBondContact O-N 2.94Å
715	C	91.4	Very high	82.4	Confident	12 Å²	12	75.9 Å²	75.9	8%	0.081	38%	0.376	C	S	.	.			trans	-66.8	-17.1	-173.5	71.6	0	0	0	0	115	N709 E712 Q733	N709-C715 HydrophobicContact CB-CB 3.56Å; E712-C715 HydrophobicContact CB-CB 4.13Å; E712-C715 WeakPolarHBondContact O-CB 3.43Å; E712-C715 PolarHBondContact O-N 3.34Å; E712-C715 VanDerWaalsContact O-N 3.15Å; E712-C715 PolarHBondContact O-SG 2.88Å; E712-C715 VanDerWaalsContact O-SG 3.4Å; C715-Q733 WeakPolarHBondContact O-CB 3.47Å; C715-Q733 WeakPolarHBondContact O-CG 3.43Å
716	L	92.6	Very high	81.8	Confident	36 Å²	36	78.6 Å²	78.6	19%	0.188	39%	0.391	C	S	.	.	S	Bend	trans	-93.4	130.3	-177.4	-60.9	-174.8	0	0	0	112.7	D657 V705 N714 Q733 T735	D657-L716 HydrophobicContact CB-CD1 3.84Å; V705-L716 HydrophobicContact CG1-CD2 3.78Å; N714-L716 PolarHBondContact O-N 2.94Å; L716-Q733 CarbonylContact C-O 3.49Å; L716-Q733 WeakPolarHBondContact CA-O 3.48Å; L716-T735 HydrophobicContact CB-CG2 3.84Å
717	R	86.4	Confident	81.4	Confident	65 Å²	65	80.2 Å²	80.2	25%	0.245	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-95.4	122.1	-175.3	-57	-166.2	-165.4	179	13.5	112.5	S721 E730 Q733 T735	R717-S721 PolarHBondContact NH1-OG 3.27Å; R717-E730 IonicContact CZ-OE1 3.79Å; R717-E730 VanDerWaalsContact CZ-OE1 3.27Å; R717-E730 IonicContact NH1-OE1 2.72Å; R717-E730 PolarHBondContact NH1-OE1 3.36Å; R717-E730 VanDerWaalsContact NH2-CG 3.32Å; R717-E730 IonicContact NH2-OE1 3.15Å; R717-E730 PolarHBondContact NH2-OE1 2.9Å; R717-Q733 HydrophobicContact CG-CB 4.29Å; R717-Q733 VanDerWaalsContact CZ-OE1 3.29Å; R717-Q733 PolarHBondContact N-O 3.17Å; R717-T735 VanDerWaalsContact O-CG2 3.31Å; R717-T735 WeakPolarHBondContact O-CG2 3.46Å; R717-T735 PolarHBondContact O-N 2.78Å; R717-T735 VanDerWaalsContact O-N 3.11Å; R717-T735 PolarHBondContact O-OG1 2.89Å
718	R	84.9	Confident	81.2	Confident	127 Å²	127	80.1 Å²	80.1	48%	0.479	41%	0.406	S	S	.	.	S	Bend	trans	-96.4	-13.4	173.3	-70.1	-173.8	-179.4	-163.3	-0.5	114.8	D657 T735	D657-R718 IonicContact OD1-CZ 2.68Å; D657-R718 IonicContact OD1-NE 3.94Å; D657-R718 PolarHBondContact OD1-NE 3.21Å; D657-R718 IonicContact OD1-NH2 2.68Å; D657-R718 PolarHBondContact OD1-NH2 3.15Å; D657-R718 IonicContact OD2-CZ 2.66Å; D657-R718 IonicContact OD2-NE 2.68Å; D657-R718 IonicContact OD2-NH2 3.14Å; D657-R718 PolarHBondContact OD2-NH2 3Å; R718-T735 WeakPolarHBondContact CA-OG1 3.34Å; R718-T735 HydrophobicContact CG-CG2 3.8Å
719	R	76.3	Confident	81	Confident	202 Å²	202	79.1 Å²	79.1	76%	0.762	40%	0.402	S	S	*	.	S	Bend	trans	-132.6	160.1	-175.6	-66.5	-175.8	-178.4	-173	-0.5	109.5
720	P	61.1	Low	81	Confident	56 Å²	56	79.8 Å²	79.8	36%	0.364	41%	0.405	S	S	.	.			trans	-57.8	145.5	167.3	-8.7	15.7	0	0	0	112.4	E723	P720-E723 HydrophobicContact CB-CG 3.7Å; P720-E723 WeakPolarHBondContact CB-OE1 3.36Å
721	S	60.6	Low	81	Confident	61 Å²	61	76.8 Å²	76.8	43%	0.427	39%	0.388	S	S	.	.			trans	-100.9	164.7	149.2	-49.9	0	0	0	0	107.2	R717 E723	R717-S721 PolarHBondContact NH1-OG 3.27Å; S721-E723 WeakPolarHBondContact O-CA 3.36Å; S721-E723 PolarHBondContact O-N 3.35Å
722	D	57.2	Low	81	Confident	159 Å²	159	76.2 Å²	76.2	85%	0.85	39%	0.387	S	S	*	.			trans	-38.8	108.7	-170.9	-66.5	-53.1	0	0	0	113.9	N724	D722-N724 PolarHBondContact O-N 2.91Å
723	E	62.6	Low	81.1	Confident	114 Å²	114	73.1 Å²	73.1	53%	0.533	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.4	-154.4	-61.5	-163.3	115.3	0	0	115.3	P720 S721 N725 R738	P720-E723 HydrophobicContact CB-CG 3.7Å; P720-E723 WeakPolarHBondContact CB-OE1 3.36Å; S721-E723 WeakPolarHBondContact O-CA 3.36Å; S721-E723 PolarHBondContact O-N 3.35Å; E723-N725 PolarHBondContact O-N 3.48Å; E723-R738 IonicContact OE1-CZ 2.69Å; E723-R738 IonicContact OE1-NH1 3.76Å; E723-R738 IonicContact OE1-NH2 2.74Å; E723-R738 PolarHBondContact OE1-NH2 3.45Å
724	N	62.4	Low	81.4	Confident	150 Å²	150	71.7 Å²	71.7	80%	0.802	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.2	-169.1	-67.9	-30.6	0	0	0	115.1	D722	D722-N724 PolarHBondContact O-N 2.91Å
725	N	66.4	Low	81.7	Confident	151 Å²	151	65.2 Å²	65.2	81%	0.807	33%	0.327	S	S	*	.			trans	-153	72.9	178.6	-83.2	-61.4	0	0	0	111.6	E723	E723-N725 PolarHBondContact O-N 3.48Å
726	I	83.3	Confident	82.1	Confident	59 Å²	59	65.1 Å²	65.1	30%	0.303	33%	0.325	S	S	.	.			trans	-83.8	119.8	179.7	-41.5	-176.2	0	0	0	110.1	E730 I731 W734	I726-E730 HydrophobicContact CG2-CB 4.36Å; I726-I731 HydrophobicContact CG2-CD1 4.2Å; I726-I731 HydrophobicContact CG2-CG1 3.7Å; I726-W734 HydrophobicContact CD1-CZ2 3.98Å; I726-W734 HydrophobicContact CG2-CZ2 4.13Å
727	S	87.3	Confident	82.3	Confident	33 Å²	33	68 Å²	68	23%	0.231	34%	0.338	C	S	.	.			trans	-89.1	155.4	-178	68.6	0	0	0	0	113.7	A729 E730 I731	S727-A729 PolarHBondContact O-N 2.92Å; S727-A729 VanDerWaalsContact O-N 3.12Å; S727-E730 WeakPolarHBondContact CB-OE2 3.42Å; S727-E730 PolarHBondContact N-OE2 3.17Å; S727-E730 PolarHBondContact O-N 3.17Å; S727-E730 VanDerWaalsContact OG-CG 3.28Å; S727-E730 WeakPolarHBondContact OG-CG 3.46Å; S727-E730 PolarHBondContact OG-OE2 3.09Å; S727-I731 WeakPolarHBondContact O-CG1 3.43Å; S727-I731 PolarHBondContact O-N 3.42Å
728	P	88	Confident	82.7	Confident	33 Å²	33	65.3 Å²	65.3	21%	0.214	33%	0.328	C	S	.	.	H	α-helix	trans	-56.6	-28.4	177.5	-28.9	36.4	0	0	0	114.9	S732 V766 F864	P728-S732 PolarHBondContact O-N 3.39Å; P728-V766 HydrophobicContact CB-CG1 4.41Å; P728-F864 HydrophobicContact CB-CE2 4.16Å
729	A	88.1	Confident	83.3	Confident	16 Å²	16	59.3 Å²	59.3	13%	0.132	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-42.9	174.8	0	0	0	0	0	111.7	S727 I731 S732 Q733 S863 F864	S727-A729 PolarHBondContact O-N 2.92Å; S727-A729 VanDerWaalsContact O-N 3.12Å; A729-I731 VanDerWaalsContact C-N 3.35Å; A729-S732 WeakPolarHBondContact O-CB 3.47Å; A729-S732 PolarHBondContact O-N 3.39Å; A729-S732 PolarHBondContact O-OG 3.47Å; A729-Q733 PolarHBondContact O-N 2.81Å; A729-S863 WeakPolarHBondContact CB-O 3.16Å; A729-F864 HydrophobicContact CB-CD1 3.85Å; A729-F864 HydrophobicContact CB-CD2 4.33Å; A729-F864 HydrophobicContact CB-CE1 3.92Å; A729-F864 HydrophobicContact CB-CE2 4.39Å; A729-F864 HydrophobicContact CB-CG 4.08Å; A729-F864 HydrophobicContact CB-CZ 4.19Å
730	E	90.4	Very high	84.3	Confident	49 Å²	49	50.2 Å²	50.2	23%	0.229	27%	0.271	C	S	.	.	H	α-helix	trans	-72.3	-31.3	175.9	-59	173.8	98.3	0	0	112.1	R717 I726 S727 S732 Q733	R717-E730 IonicContact CZ-OE1 3.79Å; R717-E730 VanDerWaalsContact CZ-OE1 3.27Å; R717-E730 IonicContact NH1-OE1 2.72Å; R717-E730 PolarHBondContact NH1-OE1 3.36Å; R717-E730 VanDerWaalsContact NH2-CG 3.32Å; R717-E730 IonicContact NH2-OE1 3.15Å; R717-E730 PolarHBondContact NH2-OE1 2.9Å; I726-E730 HydrophobicContact CG2-CB 4.36Å; S727-E730 WeakPolarHBondContact CB-OE2 3.42Å; S727-E730 PolarHBondContact N-OE2 3.17Å; S727-E730 PolarHBondContact O-N 3.17Å; S727-E730 VanDerWaalsContact OG-CG 3.28Å; S727-E730 WeakPolarHBondContact OG-CG 3.46Å; S727-E730 PolarHBondContact OG-OE2 3.09Å; E730-S732 VanDerWaalsContact C-N 3.27Å; E730-S732 PolarHBondContact O-N 3.1Å; E730-Q733 WeakPolarHBondContact O-CB 3.19Å; E730-Q733 PolarHBondContact O-N 3.47Å; E730-Q733 VanDerWaalsContact O-N 3.13Å
731	I	92.9	Very high	86	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-34	171.1	-63.1	164.5	0	0	0	109.9	I726 S727 A729 Q733 W734 G762 V766 L800	I726-I731 HydrophobicContact CG2-CD1 4.2Å; I726-I731 HydrophobicContact CG2-CG1 3.7Å; S727-I731 WeakPolarHBondContact O-CG1 3.43Å; S727-I731 PolarHBondContact O-N 3.42Å; A729-I731 VanDerWaalsContact C-N 3.35Å; I731-Q733 PolarHBondContact O-N 3.4Å; I731-W734 HydrophobicContact CG1-CZ2 4.17Å; I731-W734 HydrophobicContact CG2-CD2 4.29Å; I731-W734 HydrophobicContact CG2-CE3 4.36Å; I731-W734 VanDerWaalsContact O-CB 3.27Å; I731-W734 WeakPolarHBondContact O-CB 3.38Å; I731-W734 PolarHBondContact O-N 3.42Å; I731-G762 CarbonylContact O-C 3.55Å; I731-G762 WeakPolarHBondContact O-CA 3.45Å; I731-V766 HydrophobicContact CB-CG2 4.17Å; I731-V766 HydrophobicContact CG2-CG2 3.7Å; I731-L800 HydrophobicContact CD1-CD1 3.54Å; I731-L800 HydrophobicContact CD1-CG 4.02Å; I731-L800 WeakPolarHBondContact CD1-O 3.4Å; I731-L800 HydrophobicContact CG1-CD1 4.02Å; I731-L800 HydrophobicContact CG2-CD1 4.23Å; I731-L800 HydrophobicContact CG2-CD2 4.29Å; I731-L800 HydrophobicContact CG2-CG 4.07Å
732	S	94.6	Very high	87.6	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-29.7	172.4	86.7	0	0	0	0	113	V705 P728 A729 E730 W734 G762 G763	V705-S732 WeakPolarHBondContact CG2-O 3.42Å; P728-S732 PolarHBondContact O-N 3.39Å; A729-S732 WeakPolarHBondContact O-CB 3.47Å; A729-S732 PolarHBondContact O-N 3.39Å; A729-S732 PolarHBondContact O-OG 3.47Å; E730-S732 VanDerWaalsContact C-N 3.27Å; E730-S732 PolarHBondContact O-N 3.1Å; S732-W734 VanDerWaalsContact C-N 3.26Å; S732-W734 PolarHBondContact O-N 2.79Å; S732-G762 CarbonylContact O-C 3.52Å; S732-G763 PolarHBondContact O-N 2.92Å
733	Q	95.3	Very high	89.6	Confident	28 Å²	28	40.6 Å²	40.6	13%	0.131	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.1	174	-63	171.6	-12.5	0	0	113.6	N709 C715 L716 R717 A729 E730 I731 T735	N709-Q733 PolarHBondContact OD1-NE2 3.16Å; C715-Q733 WeakPolarHBondContact O-CB 3.47Å; C715-Q733 WeakPolarHBondContact O-CG 3.43Å; L716-Q733 CarbonylContact C-O 3.49Å; L716-Q733 WeakPolarHBondContact CA-O 3.48Å; R717-Q733 HydrophobicContact CG-CB 4.29Å; R717-Q733 VanDerWaalsContact CZ-OE1 3.29Å; R717-Q733 PolarHBondContact N-O 3.17Å; A729-Q733 PolarHBondContact O-N 2.81Å; E730-Q733 WeakPolarHBondContact O-CB 3.19Å; E730-Q733 PolarHBondContact O-N 3.47Å; E730-Q733 VanDerWaalsContact O-N 3.13Å; I731-Q733 PolarHBondContact O-N 3.4Å; Q733-T735 PolarHBondContact O-N 2.94Å
734	W	96.6	Very high	91.2	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.042	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-68.9	130.2	-176	-75.3	12.7	0	0	0	113.1	I726 I731 S732 R738 V739 W742 G762 L800	I726-W734 HydrophobicContact CD1-CZ2 3.98Å; I726-W734 HydrophobicContact CG2-CZ2 4.13Å; I731-W734 HydrophobicContact CG1-CZ2 4.17Å; I731-W734 HydrophobicContact CG2-CD2 4.29Å; I731-W734 HydrophobicContact CG2-CE3 4.36Å; I731-W734 VanDerWaalsContact O-CB 3.27Å; I731-W734 WeakPolarHBondContact O-CB 3.38Å; I731-W734 PolarHBondContact O-N 3.42Å; S732-W734 VanDerWaalsContact C-N 3.26Å; S732-W734 PolarHBondContact O-N 2.79Å; W734-R738 HydrophobicContact CB-CB 4.28Å; W734-R738 HydrophobicContact CB-CG 4.17Å; W734-R738 HydrophobicContact CD2-CB 4.49Å; W734-R738 HydrophobicContact CD2-CG 3.52Å; W734-R738 HydrophobicContact CE3-CG 3.9Å; W734-R738 HydrophobicContact CG-CB 4.3Å; W734-R738 HydrophobicContact CG-CG 3.66Å; W734-R738 HydrophobicContact CZ2-CG 4.41Å; W734-R738 HydrophobicContact CZ3-CG 4.48Å; W734-V739 HydrophobicContact CB-CG2 4.4Å; W734-V739 HydrophobicContact CE3-CG2 4.35Å; W734-W742 HydrophobicContact CE3-CB 4.45Å; W734-W742 HydrophobicContact CH2-CB 3.99Å; W734-W742 HydrophobicContact CH2-CG 4.09Å; W734-W742 HydrophobicContact CZ3-CB 3.5Å; W734-W742 HydrophobicContact CZ3-CD2 4.39Å; W734-W742 AromaticContact CZ3-CG 3.68Å; W734-W742 HydrophobicContact CZ3-CG 3.68Å; W734-G762 PolarHBondContact O-N 3.33Å; W734-L800 HydrophobicContact CE3-CD2 4.46Å; W734-L800 HydrophobicContact CH2-CD1 3.42Å; W734-L800 VanDerWaalsContact CH2-CD1 3.42Å; W734-L800 HydrophobicContact CH2-CD2 4.43Å; W734-L800 HydrophobicContact CZ2-CD1 4.16Å; W734-L800 HydrophobicContact CZ3-CD1 3.67Å; W734-L800 HydrophobicContact CZ3-CD2 3.82Å; W734-L800 HydrophobicContact CZ3-CG 4.39Å
735	T	98	Very high	92.7	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.191	C	C	.	.			trans	-72	158.8	170.2	58.7	0	0	0	0	112.2	D657 L716 R717 R718 Q733 H737 R738 V739	D657-T735 HydrophobicContact CB-CG2 3.85Å; D657-T735 CarbonylContact O-C 3.31Å; D657-T735 VanDerWaalsContact O-CA 3.22Å; D657-T735 WeakPolarHBondContact O-CA 3.34Å; D657-T735 WeakPolarHBondContact O-CB 3.36Å; D657-T735 WeakPolarHBondContact OD1-CG2 3.29Å; L716-T735 HydrophobicContact CB-CG2 3.84Å; R717-T735 VanDerWaalsContact O-CG2 3.31Å; R717-T735 WeakPolarHBondContact O-CG2 3.46Å; R717-T735 PolarHBondContact O-N 2.78Å; R717-T735 VanDerWaalsContact O-N 3.11Å; R717-T735 PolarHBondContact O-OG1 2.89Å; R718-T735 WeakPolarHBondContact CA-OG1 3.34Å; R718-T735 HydrophobicContact CG-CG2 3.8Å; Q733-T735 PolarHBondContact O-N 2.94Å; T735-H737 PolarHBondContact O-N 3.05Å; T735-H737 VanDerWaalsContact O-N 3.16Å; T735-R738 PolarHBondContact O-N 3.14Å; T735-R738 PolarHBondContact OG1-N 3.5Å; T735-V739 PolarHBondContact O-N 3Å
736	N	98.2	Very high	94.1	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-50.5	-36.5	169.4	175.8	-104.7	0	0	0	112	D657 G659 V739 M740 L755 V760	D657-N736 PolarHBondContact O-N 2.74Å; G659-N736 VanDerWaalsContact CA-CB 3.5Å; G659-N736 VanDerWaalsContact CA-CG 3.49Å; N736-V739 PolarHBondContact O-N 2.98Å; N736-M740 WeakPolarHBondContact O-CG 3.45Å; N736-M740 PolarHBondContact O-N 3.46Å; N736-M740 VanDerWaalsContact OD1-CE 3.32Å; N736-M740 WeakPolarHBondContact OD1-CE 3.41Å; N736-L755 PolarHBondContact ND2-O 3.44Å; N736-V760 WeakPolarHBondContact CA-O 3.35Å; N736-V760 WeakPolarHBondContact CB-O 3.46Å; N736-V760 PolarHBondContact ND2-O 2.98Å
737	H	97	Very high	94.8	Very high	96 Å²	96	33.9 Å²	33.9	44%	0.444	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-46.4	173.9	-167.7	89.6	0	0	0	112.9	T735 V739 M740 E741	T735-H737 PolarHBondContact O-N 3.05Å; T735-H737 VanDerWaalsContact O-N 3.16Å; H737-V739 VanDerWaalsContact C-N 3.34Å; H737-V739 PolarHBondContact O-N 3.2Å; H737-M740 PolarHBondContact O-N 2.82Å; H737-E741 PolarHBondContact O-N 3.46Å
738	R	96.2	Very high	95.3	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.038	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-33.3	176.5	178.9	56.8	-177.7	167.4	-3.3	112.1	E723 W734 T735 E741 W742	E723-R738 IonicContact OE1-CZ 2.69Å; E723-R738 IonicContact OE1-NH1 3.76Å; E723-R738 IonicContact OE1-NH2 2.74Å; E723-R738 PolarHBondContact OE1-NH2 3.45Å; W734-R738 HydrophobicContact CB-CB 4.28Å; W734-R738 HydrophobicContact CB-CG 4.17Å; W734-R738 HydrophobicContact CD2-CB 4.49Å; W734-R738 HydrophobicContact CD2-CG 3.52Å; W734-R738 HydrophobicContact CE3-CG 3.9Å; W734-R738 HydrophobicContact CG-CB 4.3Å; W734-R738 HydrophobicContact CG-CG 3.66Å; W734-R738 HydrophobicContact CZ2-CG 4.41Å; W734-R738 HydrophobicContact CZ3-CG 4.48Å; T735-R738 PolarHBondContact O-N 3.14Å; T735-R738 PolarHBondContact OG1-N 3.5Å; R738-E741 WeakPolarHBondContact CD-OE2 3.48Å; R738-E741 IonicContact CZ-OE2 3.6Å; R738-E741 IonicContact NE-OE2 3.01Å; R738-E741 IonicContact NH1-OE2 3.68Å; R738-E741 PolarHBondContact NH1-OE2 3.12Å; R738-E741 WeakPolarHBondContact O-CB 3.25Å; R738-E741 PolarHBondContact O-N 3.49Å; R738-W742 PolarHBondContact O-N 3.05Å
739	V	97.6	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-43.2	171.6	180	0	0	0	0	111.3	W734 T735 N736 H737 E741 W742 L743 L755 V760 M765 M776	W734-V739 HydrophobicContact CB-CG2 4.4Å; W734-V739 HydrophobicContact CE3-CG2 4.35Å; T735-V739 PolarHBondContact O-N 3Å; N736-V739 PolarHBondContact O-N 2.98Å; H737-V739 VanDerWaalsContact C-N 3.34Å; H737-V739 PolarHBondContact O-N 3.2Å; V739-E741 VanDerWaalsContact C-N 3.26Å; V739-E741 PolarHBondContact O-N 3.06Å; V739-W742 HydrophobicContact CG1-CE3 4.35Å; V739-W742 PolarHBondContact O-N 2.78Å; V739-L743 WeakPolarHBondContact O-CG 3.46Å; V739-L743 PolarHBondContact O-N 3Å; V739-L755 HydrophobicContact CG1-CD1 3.74Å; V739-V760 HydrophobicContact CG1-CG1 4.13Å; V739-M765 HydrophobicContact CB-SD 4.2Å; V739-M765 HydrophobicContact CG1-CE 4.25Å; V739-M765 HydrophobicContact CG1-SD 3.52Å; V739-M765 VanDerWaalsContact CG1-SD 3.52Å; V739-M765 HydrophobicContact CG2-SD 3.51Å; V739-M765 VanDerWaalsContact CG2-SD 3.51Å; V739-M776 HydrophobicContact CG1-CE 4.42Å
740	M	97.3	Very high	96.1	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.054	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-29.1	173.5	-72.6	-171.3	-73	0	0	113.1	N736 H737 R744 A752 L755 R756	N736-M740 WeakPolarHBondContact O-CG 3.45Å; N736-M740 PolarHBondContact O-N 3.46Å; N736-M740 VanDerWaalsContact OD1-CE 3.32Å; N736-M740 WeakPolarHBondContact OD1-CE 3.41Å; H737-M740 PolarHBondContact O-N 2.82Å; M740-R744 PolarHBondContact O-NH1 2.74Å; M740-A752 HydrophobicContact CB-CB 4.28Å; M740-A752 VanDerWaalsContact CG-O 3.28Å; M740-A752 WeakPolarHBondContact CG-O 3.23Å; M740-A752 WeakPolarHBondContact O-CB 3.15Å; M740-A752 VanDerWaalsContact SD-O 3.37Å; M740-L755 HydrophobicContact CG-CB 4.06Å; M740-R756 HydrophobicContact CE-CG 4.36Å; M740-R756 HydrophobicContact SD-CG 3.94Å
741	E	95.4	Very high	96.5	Very high	58 Å²	58	37.9 Å²	37.9	27%	0.271	19%	0.193	S	C	.	.	H	α-helix	trans	-73.1	-45.3	173.8	-172.6	-178.8	-129.3	0	0	111.7	H737 R738 V739 L743 R744 S745	H737-E741 PolarHBondContact O-N 3.46Å; R738-E741 WeakPolarHBondContact CD-OE2 3.48Å; R738-E741 IonicContact CZ-OE2 3.6Å; R738-E741 IonicContact NE-OE2 3.01Å; R738-E741 IonicContact NH1-OE2 3.68Å; R738-E741 PolarHBondContact NH1-OE2 3.12Å; R738-E741 WeakPolarHBondContact O-CB 3.25Å; R738-E741 PolarHBondContact O-N 3.49Å; V739-E741 VanDerWaalsContact C-N 3.26Å; V739-E741 PolarHBondContact O-N 3.06Å; E741-L743 VanDerWaalsContact C-N 3.28Å; E741-L743 PolarHBondContact O-N 3.06Å; E741-R744 WeakPolarHBondContact O-CA 3.45Å; E741-R744 WeakPolarHBondContact O-CB 3.42Å; E741-R744 PolarHBondContact O-N 3.3Å; E741-S745 PolarHBondContact O-N 3.09Å; E741-S745 VanDerWaalsContact O-N 3.14Å
742	W	95.6	Very high	96.7	Very high	16 Å²	16	37.8 Å²	37.8	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-56.4	-40.6	172.9	165.9	74.5	0	0	0	112.5	W734 R738 V739 R744 S745 V746 M765 L793 H796 F797 L800	W734-W742 HydrophobicContact CE3-CB 4.45Å; W734-W742 HydrophobicContact CH2-CB 3.99Å; W734-W742 HydrophobicContact CH2-CG 4.09Å; W734-W742 HydrophobicContact CZ3-CB 3.5Å; W734-W742 HydrophobicContact CZ3-CD2 4.39Å; W734-W742 AromaticContact CZ3-CG 3.68Å; W734-W742 HydrophobicContact CZ3-CG 3.68Å; R738-W742 PolarHBondContact O-N 3.05Å; V739-W742 HydrophobicContact CG1-CE3 4.35Å; V739-W742 PolarHBondContact O-N 2.78Å; W742-R744 PolarHBondContact O-N 3.33Å; W742-S745 WeakPolarHBondContact CA-OG 3.2Å; W742-S745 PolarHBondContact O-N 3.37Å; W742-S745 PolarHBondContact O-OG 2.9Å; W742-V746 HydrophobicContact CZ2-CG2 4.25Å; W742-V746 WeakPolarHBondContact O-CG2 3.33Å; W742-V746 PolarHBondContact O-N 2.95Å; W742-V746 VanDerWaalsContact O-N 3.14Å; W742-M765 HydrophobicContact CE3-CE 4.4Å; W742-M765 HydrophobicContact CZ3-CE 4.11Å; W742-L793 HydrophobicContact CH2-CD1 4.32Å; W742-H796 HydrophobicContact CZ2-CB 4.03Å; W742-F797 HydrophobicContact CH2-CB 4.4Å; W742-L800 HydrophobicContact CD2-CD2 3.86Å; W742-L800 HydrophobicContact CE3-CD2 4.2Å; W742-L800 HydrophobicContact CG-CD2 4.36Å; W742-L800 HydrophobicContact CH2-CD2 4.26Å; W742-L800 HydrophobicContact CZ2-CB 4.18Å; W742-L800 HydrophobicContact CZ2-CD2 3.9Å; W742-L800 HydrophobicContact CZ3-CD2 4.4Å
743	L	97.8	Very high	96.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-30.9	174.5	-75.9	167.9	0	0	0	113	V739 E741 L748 A749 A752 L755 L780 L793	V739-L743 WeakPolarHBondContact O-CG 3.46Å; V739-L743 PolarHBondContact O-N 3Å; E741-L743 VanDerWaalsContact C-N 3.28Å; E741-L743 PolarHBondContact O-N 3.06Å; L743-L748 HydrophobicContact CB-CB 4.47Å; L743-L748 HydrophobicContact CD2-CB 4.03Å; L743-L748 HydrophobicContact CD2-CD1 4.05Å; L743-L748 CarbonylContact O-C 3.55Å; L743-L748 VanDerWaalsContact O-C 3.25Å; L743-L748 VanDerWaalsContact O-CA 3.29Å; L743-L748 WeakPolarHBondContact O-CA 3.2Å; L743-L748 WeakPolarHBondContact O-CB 3.49Å; L743-L748 PolarHBondContact O-N 3.28Å; L743-A749 PolarHBondContact O-N 3.09Å; L743-A752 HydrophobicContact CB-CB 3.88Å; L743-A752 HydrophobicContact CD1-CB 4.22Å; L743-L755 HydrophobicContact CD1-CD1 3.53Å; L743-L755 HydrophobicContact CD1-CG 4.2Å; L743-L780 HydrophobicContact CD1-CD1 4.43Å; L743-L780 HydrophobicContact CD1-CD2 3.56Å; L743-L780 HydrophobicContact CD2-CD1 4.04Å; L743-L793 HydrophobicContact CD2-CD1 4.3Å
744	R	96.3	Very high	97	Very high	108 Å²	108	42.2 Å²	42.2	41%	0.408	22%	0.22	S	C	.	.	H	α-helix	trans	-73.4	-35.9	173.1	-59.7	175.9	-162.9	103.4	16.2	111.8	M740 E741 W742 V746 D747 A749	M740-R744 PolarHBondContact O-NH1 2.74Å; E741-R744 WeakPolarHBondContact O-CA 3.45Å; E741-R744 WeakPolarHBondContact O-CB 3.42Å; E741-R744 PolarHBondContact O-N 3.3Å; W742-R744 PolarHBondContact O-N 3.33Å; R744-V746 PolarHBondContact O-N 2.99Å; R744-D747 PolarHBondContact O-N 3.34Å; R744-A749 HydrophobicContact CB-CB 4.14Å; R744-A749 HydrophobicContact CG-CB 3.84Å
745	S	94.5	Very high	97	Very high	80 Å²	80	41.7 Å²	41.7	56%	0.559	22%	0.218	S	C	*	.	H	α-helix	trans	-74.1	-8.1	177.1	66.2	0	0	0	0	114.4	E741 W742	E741-S745 PolarHBondContact O-N 3.09Å; E741-S745 VanDerWaalsContact O-N 3.14Å; W742-S745 WeakPolarHBondContact CA-OG 3.2Å; W742-S745 PolarHBondContact O-N 3.37Å; W742-S745 PolarHBondContact O-OG 2.9Å
746	V	96	Very high	96.9	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.048	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	30.5	174.5	-54.5	0	0	0	0	112.5	W742 R744 L748 H792 H796	W742-V746 HydrophobicContact CZ2-CG2 4.25Å; W742-V746 WeakPolarHBondContact O-CG2 3.33Å; W742-V746 PolarHBondContact O-N 2.95Å; W742-V746 VanDerWaalsContact O-N 3.14Å; R744-V746 PolarHBondContact O-N 2.99Å; V746-L748 HydrophobicContact CG2-CD1 4.31Å; V746-L748 HydrophobicContact CG2-CG 4.47Å; V746-L748 PolarHBondContact O-N 2.99Å; V746-L748 VanDerWaalsContact O-N 3.15Å; V746-H792 PolarHBondContact O-NE2 3.44Å; V746-H796 HydrophobicContact CB-CB 4.17Å; V746-H796 HydrophobicContact CG1-CB 4.09Å; V746-H796 WeakPolarHBondContact CG1-ND1 3.36Å; V746-H796 HydrophobicContact CG2-CB 4.31Å
747	D	97.4	Very high	96.9	Very high	137 Å²	137	51 Å²	51	73%	0.733	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	20.5	175.2	-55.7	-50.5	0	0	0	115.9	R744	R744-D747 PolarHBondContact O-N 3.34Å
748	L	97.5	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.			trans	-108.5	30.1	175.7	-63.9	176.4	0	0	0	112.1	L743 V746 E750 Y751 A752 L789 L793	L743-L748 HydrophobicContact CB-CB 4.47Å; L743-L748 HydrophobicContact CD2-CB 4.03Å; L743-L748 HydrophobicContact CD2-CD1 4.05Å; L743-L748 CarbonylContact O-C 3.55Å; L743-L748 VanDerWaalsContact O-C 3.25Å; L743-L748 VanDerWaalsContact O-CA 3.29Å; L743-L748 WeakPolarHBondContact O-CA 3.2Å; L743-L748 WeakPolarHBondContact O-CB 3.49Å; L743-L748 PolarHBondContact O-N 3.28Å; V746-L748 HydrophobicContact CG2-CD1 4.31Å; V746-L748 HydrophobicContact CG2-CG 4.47Å; V746-L748 PolarHBondContact O-N 2.99Å; V746-L748 VanDerWaalsContact O-N 3.15Å; L748-E750 VanDerWaalsContact C-N 3.28Å; L748-E750 PolarHBondContact O-N 3.23Å; L748-Y751 HydrophobicContact CB-CD2 4.22Å; L748-Y751 HydrophobicContact CD2-CD2 3.91Å; L748-Y751 HydrophobicContact CD2-CE2 4.09Å; L748-Y751 PolarHBondContact O-N 2.91Å; L748-Y751 VanDerWaalsContact O-N 3.15Å; L748-A752 PolarHBondContact O-N 3.05Å; L748-L789 HydrophobicContact CD2-CD2 4.15Å; L748-L793 HydrophobicContact CD1-CB 3.94Å; L748-L793 HydrophobicContact CD1-CD1 3.75Å; L748-L793 HydrophobicContact CD1-CG 4.39Å
749	A	97.1	Very high	97	Very high	49 Å²	49	46.5 Å²	46.5	41%	0.405	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.5	-175	0	0	0	0	0	114.3	L743 R744 Y751 A752	L743-A749 PolarHBondContact O-N 3.09Å; R744-A749 HydrophobicContact CB-CB 4.14Å; R744-A749 HydrophobicContact CG-CB 3.84Å; A749-Y751 VanDerWaalsContact C-N 3.35Å; A749-Y751 PolarHBondContact O-N 2.85Å; A749-A752 PolarHBondContact O-N 3.04Å
750	E	96.6	Very high	97	Very high	135 Å²	135	46.5 Å²	46.5	63%	0.631	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-31.6	179.3	65.3	-176.2	166.1	0	0	113	L748 P753	L748-E750 VanDerWaalsContact C-N 3.28Å; L748-E750 PolarHBondContact O-N 3.23Å; E750-P753 WeakPolarHBondContact O-CD 3.46Å
751	Y	98.1	Very high	97.1	Very high	32 Å²	32	46.2 Å²	46.2	13%	0.125	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-21.7	-180	-54.5	-74.2	0	0	0	113.2	L748 A749 N754 L780 I782 L789	L748-Y751 HydrophobicContact CB-CD2 4.22Å; L748-Y751 HydrophobicContact CD2-CD2 3.91Å; L748-Y751 HydrophobicContact CD2-CE2 4.09Å; L748-Y751 PolarHBondContact O-N 2.91Å; L748-Y751 VanDerWaalsContact O-N 3.15Å; A749-Y751 VanDerWaalsContact C-N 3.35Å; A749-Y751 PolarHBondContact O-N 2.85Å; Y751-N754 VanDerWaalsContact O-CB 3.3Å; Y751-N754 WeakPolarHBondContact O-CB 3.37Å; Y751-N754 PolarHBondContact O-N 3.01Å; Y751-L780 WeakPolarHBondContact CD1-O 3.46Å; Y751-L780 WeakPolarHBondContact O-CD2 3.3Å; Y751-I782 HydrophobicContact CD1-CD1 4.26Å; Y751-I782 HydrophobicContact CD1-CG1 3.54Å; Y751-I782 HydrophobicContact CD2-CD1 4.13Å; Y751-I782 HydrophobicContact CD2-CG1 4.24Å; Y751-I782 HydrophobicContact CE1-CG1 3.79Å; Y751-I782 HydrophobicContact CE2-CG1 4.46Å; Y751-I782 HydrophobicContact CG-CD1 4.02Å; Y751-I782 HydrophobicContact CG-CG1 3.82Å; Y751-L789 HydrophobicContact CE2-CD1 3.97Å; Y751-L789 WeakPolarHBondContact OH-CD1 3.46Å
752	A	97.7	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-52.2	-40.5	-175.5	0	0	0	0	0	114.8	M740 L743 L748 A749 N754 L755	M740-A752 HydrophobicContact CB-CB 4.28Å; M740-A752 VanDerWaalsContact CG-O 3.28Å; M740-A752 WeakPolarHBondContact CG-O 3.23Å; M740-A752 WeakPolarHBondContact O-CB 3.15Å; M740-A752 VanDerWaalsContact SD-O 3.37Å; L743-A752 HydrophobicContact CB-CB 3.88Å; L743-A752 HydrophobicContact CD1-CB 4.22Å; L748-A752 PolarHBondContact O-N 3.05Å; A749-A752 PolarHBondContact O-N 3.04Å; A752-N754 PolarHBondContact O-N 2.68Å; A752-N754 VanDerWaalsContact O-N 3.16Å; A752-L755 PolarHBondContact O-N 2.76Å
753	P	97.7	Very high	97.2	Very high	61 Å²	61	42.7 Å²	42.7	40%	0.396	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-59.2	-25.4	177.9	-24.7	36	0	0	0	114.7	E750 L755 R756	E750-P753 WeakPolarHBondContact O-CD 3.46Å; P753-L755 PolarHBondContact O-N 3.1Å; P753-R756 WeakPolarHBondContact O-CB 3.17Å; P753-R756 WeakPolarHBondContact O-CG 3.2Å; P753-R756 PolarHBondContact O-N 3.25Å; P753-R756 VanDerWaalsContact O-N 3.17Å
754	N	97.7	Very high	97.2	Very high	64 Å²	64	42.7 Å²	42.7	34%	0.342	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-66.9	-17.9	-178.5	-62.3	-23.4	0	0	0	112.8	Y751 A752 R756 L780	Y751-N754 VanDerWaalsContact O-CB 3.3Å; Y751-N754 WeakPolarHBondContact O-CB 3.37Å; Y751-N754 PolarHBondContact O-N 3.01Å; A752-N754 PolarHBondContact O-N 2.68Å; A752-N754 VanDerWaalsContact O-N 3.16Å; N754-R756 VanDerWaalsContact C-N 3.27Å; N754-R756 PolarHBondContact O-N 2.91Å; N754-L780 PolarHBondContact ND2-O 2.93Å
755	L	97.6	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-77.3	-4.5	175	-62.5	-168.2	0	0	0	114.5	N736 V739 M740 L743 A752 P753 G757 S758 V760 M776 L779 L780	N736-L755 PolarHBondContact ND2-O 3.44Å; V739-L755 HydrophobicContact CG1-CD1 3.74Å; M740-L755 HydrophobicContact CG-CB 4.06Å; L743-L755 HydrophobicContact CD1-CD1 3.53Å; L743-L755 HydrophobicContact CD1-CG 4.2Å; A752-L755 PolarHBondContact O-N 2.76Å; P753-L755 PolarHBondContact O-N 3.1Å; L755-G757 PolarHBondContact O-N 3.43Å; L755-S758 WeakPolarHBondContact CA-OG 3.25Å; L755-S758 WeakPolarHBondContact O-CB 3.16Å; L755-S758 PolarHBondContact O-N 3.1Å; L755-S758 PolarHBondContact O-OG 3.49Å; L755-V760 HydrophobicContact CD1-CB 4.18Å; L755-V760 HydrophobicContact CD1-CG1 3.92Å; L755-V760 HydrophobicContact CD2-CB 4.16Å; L755-V760 HydrophobicContact CD2-CG1 4.47Å; L755-V760 HydrophobicContact CD2-CG2 4.03Å; L755-M776 HydrophobicContact CD1-SD 4.31Å; L755-M776 HydrophobicContact CD2-SD 4.27Å; L755-L779 HydrophobicContact CD2-CB 4.1Å; L755-L780 HydrophobicContact CD1-CD2 4.16Å; L755-L780 HydrophobicContact CD2-CD2 3.7Å; L755-L780 HydrophobicContact CD2-CG 4.15Å; L755-L780 HydrophobicContact CG-CD2 3.68Å
756	R	96.3	Very high	97.3	Very high	187 Å²	187	34.3 Å²	34.3	71%	0.706	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	121.8	175.1	-70.1	175.7	175.5	-173.6	-0.3	110.5	M740 P753 N754 S758	M740-R756 HydrophobicContact CE-CG 4.36Å; M740-R756 HydrophobicContact SD-CG 3.94Å; P753-R756 WeakPolarHBondContact O-CB 3.17Å; P753-R756 WeakPolarHBondContact O-CG 3.2Å; P753-R756 PolarHBondContact O-N 3.25Å; P753-R756 VanDerWaalsContact O-N 3.17Å; N754-R756 VanDerWaalsContact C-N 3.27Å; N754-R756 PolarHBondContact O-N 2.91Å; R756-S758 VanDerWaalsContact C-N 3.28Å; R756-S758 PolarHBondContact O-N 3.07Å
757	G	97.1	Very high	97.2	Very high	18 Å²	18	34.8 Å²	34.8	19%	0.186	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	1.4	-178.7	0	0	0	0	0	115.2	G659 Q662 L755	G659-G757 CarbonylContact O-C 3.37Å; G659-G757 WeakPolarHBondContact O-CA 3.17Å; G659-G757 PolarHBondContact O-N 3.21Å; Q662-G757 PolarHBondContact NE2-O 2.91Å; L755-G757 PolarHBondContact O-N 3.43Å
758	S	97.5	Very high	97.1	Very high	12 Å²	12	28.7 Å²	28.7	8%	0.084	15%	0.148	C	C	.	.	S	Bend	trans	-80	-14.4	-176	67.4	0	0	0	0	115.4	G659 L755 R756 V760	G659-S758 PolarHBondContact O-N 3.41Å; L755-S758 WeakPolarHBondContact CA-OG 3.25Å; L755-S758 WeakPolarHBondContact O-CB 3.16Å; L755-S758 PolarHBondContact O-N 3.1Å; L755-S758 PolarHBondContact O-OG 3.49Å; R756-S758 VanDerWaalsContact C-N 3.28Å; R756-S758 PolarHBondContact O-N 3.07Å; S758-V760 PolarHBondContact O-N 3.31Å; S758-V760 WeakPolarHBondContact OG-CB 3.32Å; S758-V760 WeakPolarHBondContact OG-CG2 3.48Å; S758-V760 PolarHBondContact OG-N 3.22Å; S758-V760 VanDerWaalsContact OG-N 3.11Å
759	G	97.8	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.			trans	73.3	3.3	-167.4	0	0	0	0	0	115.3	I658 G659 L660 S698 H761	I658-G759 CarbonylContact O-C 3.5Å; I658-G759 VanDerWaalsContact O-C 3.31Å; I658-G759 WeakPolarHBondContact O-CA 3.42Å; G659-G759 PolarHBondContact O-N 3.49Å; L660-G759 VanDerWaalsContact CD2-CA 3.5Å; S698-G759 WeakPolarHBondContact OG-CA 3.49Å; S698-G759 PolarHBondContact OG-O 3.26Å; G759-H761 PolarHBondContact O-N 3.23Å; G759-H761 PolarHBondContact O-ND1 3.16Å
760	V	98.4	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.			trans	-73.9	115.5	179.3	-180	0	0	0	0	110.7	N736 V739 L755 S758 M765 F771 M776 L779	N736-V760 WeakPolarHBondContact CA-O 3.35Å; N736-V760 WeakPolarHBondContact CB-O 3.46Å; N736-V760 PolarHBondContact ND2-O 2.98Å; V739-V760 HydrophobicContact CG1-CG1 4.13Å; L755-V760 HydrophobicContact CD1-CB 4.18Å; L755-V760 HydrophobicContact CD1-CG1 3.92Å; L755-V760 HydrophobicContact CD2-CB 4.16Å; L755-V760 HydrophobicContact CD2-CG1 4.47Å; L755-V760 HydrophobicContact CD2-CG2 4.03Å; S758-V760 PolarHBondContact O-N 3.31Å; S758-V760 WeakPolarHBondContact OG-CB 3.32Å; S758-V760 WeakPolarHBondContact OG-CG2 3.48Å; S758-V760 PolarHBondContact OG-N 3.22Å; S758-V760 VanDerWaalsContact OG-N 3.11Å; V760-M765 HydrophobicContact CG1-CG 4.13Å; V760-M765 HydrophobicContact CG1-SD 4.08Å; V760-F771 HydrophobicContact CG1-CZ 4.07Å; V760-F771 HydrophobicContact CG2-CE2 3.91Å; V760-F771 HydrophobicContact CG2-CZ 3.83Å; V760-M776 HydrophobicContact CG1-CE 3.76Å; V760-M776 HydrophobicContact CG1-SD 4.01Å; V760-L779 HydrophobicContact CG2-CD1 3.54Å
761	H	98.3	Very high	96.5	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.023	12%	0.124	C	C	.	.			trans	-146.7	170.7	175.5	66.2	-79	0	0	0	108.9	S698 G759 G763 L764 M765	S698-H761 PolarHBondContact O-CE1 3.38Å; S698-H761 VanDerWaalsContact O-CE1 3.27Å; S698-H761 PolarHBondContact OG-CE1 3.03Å; G759-H761 PolarHBondContact O-N 3.23Å; G759-H761 PolarHBondContact O-ND1 3.16Å; H761-G763 PolarHBondContact CD2-N 3.28Å; H761-G763 PolarHBondContact O-N 3.48Å; H761-L764 PolarHBondContact NE2-N 3.12Å; H761-L764 PolarHBondContact O-N 3.13Å; H761-L764 VanDerWaalsContact O-N 3.15Å; H761-M765 WeakPolarHBondContact O-CG 3.42Å; H761-M765 PolarHBondContact O-N 2.63Å
762	G	97.4	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-53.3	-48.8	-174.1	0	0	0	0	0	114.9	I731 S732 W734 L764 M765 V766	I731-G762 CarbonylContact O-C 3.55Å; I731-G762 WeakPolarHBondContact O-CA 3.45Å; S732-G762 CarbonylContact O-C 3.52Å; W734-G762 PolarHBondContact O-N 3.33Å; G762-L764 VanDerWaalsContact C-N 3.34Å; G762-L764 PolarHBondContact O-N 3.42Å; G762-M765 PolarHBondContact O-N 3.47Å; G762-M765 VanDerWaalsContact O-N 3.07Å; G762-V766 PolarHBondContact O-N 2.9Å
763	G	96.6	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-53.6	-46.2	175.8	0	0	0	0	0	113.2	S732 H761 L767	S732-G763 PolarHBondContact O-N 2.92Å; H761-G763 PolarHBondContact CD2-N 3.28Å; H761-G763 PolarHBondContact O-N 3.48Å; G763-L767 WeakPolarHBondContact O-CB 3.17Å; G763-L767 WeakPolarHBondContact O-CG 3.32Å; G763-L767 PolarHBondContact O-N 2.92Å
764	L	97.5	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-42	174.4	-176.3	66.2	0	0	0	112.1	L694 L697 R701 H761 G762 E768 F771	L694-L764 HydrophobicContact CD1-CD2 4.23Å; L697-L764 HydrophobicContact CB-CD1 4.21Å; R701-L764 HydrophobicContact CG-CD1 4.44Å; H761-L764 PolarHBondContact NE2-N 3.12Å; H761-L764 PolarHBondContact O-N 3.13Å; H761-L764 VanDerWaalsContact O-N 3.15Å; G762-L764 VanDerWaalsContact C-N 3.34Å; G762-L764 PolarHBondContact O-N 3.42Å; L764-E768 HydrophobicContact CD1-CB 3.84Å; L764-E768 HydrophobicContact CD1-CG 4.09Å; L764-E768 WeakPolarHBondContact O-CB 3.29Å; L764-E768 PolarHBondContact O-N 3.21Å; L764-F771 HydrophobicContact CD1-CB 4.36Å; L764-F771 HydrophobicContact CD1-CD2 4.27Å; L764-F771 HydrophobicContact CD1-CG 4.46Å; L764-F771 HydrophobicContact CD2-CD2 3.68Å; L764-F771 HydrophobicContact CD2-CE2 3.74Å; L764-F771 HydrophobicContact CD2-CG 4.4Å; L764-F771 HydrophobicContact CG-CB 4.34Å; L764-F771 HydrophobicContact CG-CD2 3.73Å; L764-F771 HydrophobicContact CG-CE2 4.17Å; L764-F771 HydrophobicContact CG-CG 3.96Å
765	M	97.4	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-42.6	-179	-70.1	171.1	61.7	0	0	112.6	V739 W742 V760 H761 G762 F771 M776 F797 L800 K809	V739-M765 HydrophobicContact CB-SD 4.2Å; V739-M765 HydrophobicContact CG1-CE 4.25Å; V739-M765 HydrophobicContact CG1-SD 3.52Å; V739-M765 VanDerWaalsContact CG1-SD 3.52Å; V739-M765 HydrophobicContact CG2-SD 3.51Å; V739-M765 VanDerWaalsContact CG2-SD 3.51Å; W742-M765 HydrophobicContact CE3-CE 4.4Å; W742-M765 HydrophobicContact CZ3-CE 4.11Å; V760-M765 HydrophobicContact CG1-CG 4.13Å; V760-M765 HydrophobicContact CG1-SD 4.08Å; H761-M765 WeakPolarHBondContact O-CG 3.42Å; H761-M765 PolarHBondContact O-N 2.63Å; G762-M765 PolarHBondContact O-N 3.47Å; G762-M765 VanDerWaalsContact O-N 3.07Å; M765-F771 HydrophobicContact CG-CD1 4.46Å; M765-F771 HydrophobicContact CG-CE1 3.88Å; M765-M776 HydrophobicContact CE-CE 3.68Å; M765-M776 HydrophobicContact CG-CE 3.9Å; M765-M776 HydrophobicContact SD-CE 3.67Å; M765-F797 HydrophobicContact CB-CE2 4.34Å; M765-F797 HydrophobicContact CE-CD2 4.09Å; M765-F797 HydrophobicContact CE-CE2 3.94Å; M765-F797 HydrophobicContact CG-CE2 4.31Å; M765-L800 HydrophobicContact CE-CD2 3.47Å; M765-L800 VanDerWaalsContact CE-CD2 3.47Å; M765-K809 WeakPolarHBondContact O-CE 3.18Å; M765-K809 PolarHBondContact O-NZ 3.36Å
766	V	95.4	Very high	96	Very high	12 Å²	12	23.6 Å²	23.6	7%	0.073	11%	0.112	C	C	.	.	H	α-helix	trans	-86.1	-52.1	-177.8	-176.5	0	0	0	0	111.5	P728 I731 G762 I801 A805 F864	P728-V766 HydrophobicContact CB-CG1 4.41Å; I731-V766 HydrophobicContact CB-CG2 4.17Å; I731-V766 HydrophobicContact CG2-CG2 3.7Å; G762-V766 PolarHBondContact O-N 2.9Å; V766-I801 HydrophobicContact CG2-CG2 4.47Å; V766-A805 HydrophobicContact CG1-CB 4.25Å; V766-F864 HydrophobicContact CG1-CZ 4.1Å
767	L	94.1	Very high	96	Very high	19 Å²	19	14.7 Å²	14.7	10%	0.099	8%	0.079	C	C	.	.	H	α-helix	trans	-88	-12	-162.8	-53.8	174.6	0	0	0	115.2	R701 Q704 V705 L708 G763 P769 P859 F864	R701-L767 HydrophobicContact CG-CB 4.33Å; R701-L767 PolarHBondContact NE-O 3.3Å; R701-L767 PolarHBondContact NH1-O 2.88Å; R701-L767 VanDerWaalsContact NH1-O 3.13Å; R701-L767 PolarHBondContact NH2-O 3.01Å; Q704-L767 HydrophobicContact CB-CD1 4.45Å; Q704-L767 HydrophobicContact CG-CD1 4.25Å; V705-L767 HydrophobicContact CG2-CD1 3.78Å; L708-L767 HydrophobicContact CD1-CD1 4.04Å; G763-L767 WeakPolarHBondContact O-CB 3.17Å; G763-L767 WeakPolarHBondContact O-CG 3.32Å; G763-L767 PolarHBondContact O-N 2.92Å; L767-P769 WeakPolarHBondContact O-CD 3.44Å; L767-P859 HydrophobicContact CD2-CG 3.68Å; L767-F864 HydrophobicContact CD2-CE1 4.07Å; L767-F864 HydrophobicContact CD2-CZ 3.98Å
768	E	94.6	Very high	96	Very high	9 Å²	9	17.2 Å²	17.2	4%	0.042	9%	0.087	C	C	.	.			trans	-100.1	110.1	179.1	-176.8	48.9	-123.7	0	0	112	L697 R701 L764 R770 F771 K809	L697-E768 HydrophobicContact CD1-CG 4.32Å; R701-E768 HydrophobicContact CG-CB 4.04Å; R701-E768 IonicContact CZ-OE2 3.97Å; R701-E768 IonicContact NE-OE2 3.19Å; R701-E768 PolarHBondContact NE-OE2 3.32Å; R701-E768 IonicContact NH2-OE1 3.65Å; R701-E768 IonicContact NH2-OE2 3.59Å; R701-E768 PolarHBondContact NH2-OE2 3.33Å; L764-E768 HydrophobicContact CD1-CB 3.84Å; L764-E768 HydrophobicContact CD1-CG 4.09Å; L764-E768 WeakPolarHBondContact O-CB 3.29Å; L764-E768 PolarHBondContact O-N 3.21Å; E768-R770 HydrophobicContact CG-CB 4.3Å; E768-R770 PolarHBondContact O-N 2.97Å; E768-R770 WeakPolarHBondContact OE1-CB 3.48Å; E768-R770 WeakPolarHBondContact OE1-CG 3.3Å; E768-R770 PolarHBondContact OE1-N 2.6Å; E768-F771 HydrophobicContact CB-CB 3.96Å; E768-F771 HydrophobicContact CG-CB 3.94Å; E768-F771 PolarHBondContact O-N 3.44Å; E768-F771 VanDerWaalsContact O-N 3.16Å; E768-K809 PolarHBondContact O-NZ 2.88Å
769	P	92.3	Very high	96	Very high	39 Å²	39	17.5 Å²	17.5	25%	0.253	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29	179.1	-24.3	35.7	0	0	0	113.5	L767 F771 K809 C812	L767-P769 WeakPolarHBondContact O-CD 3.44Å; P769-F771 VanDerWaalsContact C-N 3.31Å; P769-F771 PolarHBondContact O-N 3.26Å; P769-K809 WeakPolarHBondContact O-CG 3.44Å; P769-C812 HydrophobicContact CB-CB 3.71Å
770	R	92.7	Very high	96	Very high	73 Å²	73	17.5 Å²	17.5	28%	0.275	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.2	178.4	-63.2	179.2	65	-162.4	-0.8	113.7	E768 Y818 T819 L821	E768-R770 HydrophobicContact CG-CB 4.3Å; E768-R770 PolarHBondContact O-N 2.97Å; E768-R770 WeakPolarHBondContact OE1-CB 3.48Å; E768-R770 WeakPolarHBondContact OE1-CG 3.3Å; E768-R770 PolarHBondContact OE1-N 2.6Å; R770-Y818 PolarHBondContact O-OH 2.93Å; R770-T819 PolarHBondContact NH2-O 3.07Å; R770-L821 HydrophobicContact CB-CD1 3.81Å; R770-L821 HydrophobicContact CB-CG 4.07Å
771	F	95.4	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.			trans	-87.4	108.7	178.7	-172	-82.6	0	0	0	109.8	L694 V760 L764 M765 E768 P769 T775 M776 L779 F797 K809 L821	L694-F771 HydrophobicContact CD1-CD2 4.25Å; L694-F771 HydrophobicContact CD1-CE2 4.45Å; V760-F771 HydrophobicContact CG1-CZ 4.07Å; V760-F771 HydrophobicContact CG2-CE2 3.91Å; V760-F771 HydrophobicContact CG2-CZ 3.83Å; L764-F771 HydrophobicContact CD1-CB 4.36Å; L764-F771 HydrophobicContact CD1-CD2 4.27Å; L764-F771 HydrophobicContact CD1-CG 4.46Å; L764-F771 HydrophobicContact CD2-CD2 3.68Å; L764-F771 HydrophobicContact CD2-CE2 3.74Å; L764-F771 HydrophobicContact CD2-CG 4.4Å; L764-F771 HydrophobicContact CG-CB 4.34Å; L764-F771 HydrophobicContact CG-CD2 3.73Å; L764-F771 HydrophobicContact CG-CE2 4.17Å; L764-F771 HydrophobicContact CG-CG 3.96Å; M765-F771 HydrophobicContact CG-CD1 4.46Å; M765-F771 HydrophobicContact CG-CE1 3.88Å; E768-F771 HydrophobicContact CB-CB 3.96Å; E768-F771 HydrophobicContact CG-CB 3.94Å; E768-F771 PolarHBondContact O-N 3.44Å; E768-F771 VanDerWaalsContact O-N 3.16Å; P769-F771 VanDerWaalsContact C-N 3.31Å; P769-F771 PolarHBondContact O-N 3.26Å; F771-T775 HydrophobicContact CD2-CG2 3.64Å; F771-T775 HydrophobicContact CE2-CG2 3.73Å; F771-T775 HydrophobicContact CG-CG2 4.42Å; F771-M776 HydrophobicContact CE1-CB 4.32Å; F771-M776 HydrophobicContact CE1-CE 4Å; F771-M776 HydrophobicContact CE1-SD 4.49Å; F771-M776 HydrophobicContact CZ-CB 4.29Å; F771-M776 HydrophobicContact CZ-CE 4.1Å; F771-M776 HydrophobicContact CZ-SD 4.12Å; F771-L779 HydrophobicContact CE2-CD1 3.73Å; F771-L779 HydrophobicContact CZ-CD1 4.3Å; F771-F797 HydrophobicContact CD1-CZ 4.27Å; F771-F797 HydrophobicContact CE1-CE2 4.16Å; F771-F797 HydrophobicContact CE1-CZ 4.3Å; F771-K809 WeakPolarHBondContact O-CD 3.49Å; F771-K809 PolarHBondContact O-NZ 3.29Å; F771-L821 HydrophobicContact CB-CD1 4.3Å
772	N	93.8	Very high	95.9	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.032	12%	0.116	C	C	.	.			trans	-129.2	179.5	-172.4	57.1	16.5	0	0	0	111.6	E774 T775 M776 Y818	N772-E774 PolarHBondContact O-N 3.43Å; N772-E774 PolarHBondContact OD1-N 3.31Å; N772-T775 WeakPolarHBondContact O-CB 3.43Å; N772-T775 PolarHBondContact O-N 3.35Å; N772-T775 VanDerWaalsContact O-N 3.12Å; N772-T775 WeakPolarHBondContact OD1-CB 3.43Å; N772-T775 PolarHBondContact OD1-N 3.41Å; N772-T775 PolarHBondContact OD1-OG1 3.1Å; N772-M776 PolarHBondContact O-N 3.29Å; N772-Y818 PolarHBondContact ND2-OH 2.96Å
773	V	95.3	Very high	95.7	Very high	32 Å²	32	25.3 Å²	25.3	19%	0.194	13%	0.133	C	C	.	.	H	α-helix	trans	-52.2	-40.2	177	-178.4	0	0	0	0	111.7	M776 A777 L793 A794 F797	V773-M776 PolarHBondContact O-N 3.48Å; V773-A777 WeakPolarHBondContact O-CB 3.39Å; V773-A777 PolarHBondContact O-N 3.07Å; V773-L793 HydrophobicContact CG1-CD2 4.37Å; V773-L793 HydrophobicContact CG1-CG 4.27Å; V773-A794 HydrophobicContact CG1-CB 3.83Å; V773-A794 HydrophobicContact CG2-CB 4.23Å; V773-F797 HydrophobicContact CG2-CB 4.17Å; V773-F797 HydrophobicContact CG2-CD1 3.48Å; V773-F797 VanDerWaalsContact CG2-CD1 3.48Å; V773-F797 HydrophobicContact CG2-CE1 4.13Å; V773-F797 HydrophobicContact CG2-CG 4.06Å
774	E	94.3	Very high	95.6	Very high	82 Å²	82	30 Å²	30	38%	0.383	16%	0.163	S	C	.	.	H	α-helix	trans	-65.9	-41.9	-178.5	-160.4	55.5	-143.5	0	0	111.6	N772 A777 L778 R790 L820	N772-E774 PolarHBondContact O-N 3.43Å; N772-E774 PolarHBondContact OD1-N 3.31Å; E774-A777 PolarHBondContact O-N 3.04Å; E774-L778 WeakPolarHBondContact O-CG 3.28Å; E774-L778 PolarHBondContact O-N 3.1Å; E774-L778 VanDerWaalsContact O-N 3.1Å; E774-R790 IonicContact OE1-CZ 3.61Å; E774-R790 IonicContact OE1-NH1 3.21Å; E774-R790 PolarHBondContact OE1-NH1 3.07Å; E774-R790 IonicContact OE1-NH2 2.73Å; E774-R790 IonicContact OE2-NH1 3.74Å; E774-R790 PolarHBondContact OE2-NH1 3.25Å; E774-L820 HydrophobicContact CB-CD1 4.26Å; E774-L820 HydrophobicContact CG-CD1 4.26Å; E774-L820 HydrophobicContact CG-CD2 4.36Å
775	T	95.6	Very high	95.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-44.1	172	-52.9	0	0	0	0	111.4	F771 N772 L778 L779 L821	F771-T775 HydrophobicContact CD2-CG2 3.64Å; F771-T775 HydrophobicContact CE2-CG2 3.73Å; F771-T775 HydrophobicContact CG-CG2 4.42Å; N772-T775 WeakPolarHBondContact O-CB 3.43Å; N772-T775 PolarHBondContact O-N 3.35Å; N772-T775 VanDerWaalsContact O-N 3.12Å; N772-T775 WeakPolarHBondContact OD1-CB 3.43Å; N772-T775 PolarHBondContact OD1-N 3.41Å; N772-T775 PolarHBondContact OD1-OG1 3.1Å; T775-L778 PolarHBondContact O-N 3.25Å; T775-L779 HydrophobicContact CG2-CD1 4.06Å; T775-L779 WeakPolarHBondContact O-CG 3.21Å; T775-L779 PolarHBondContact O-N 2.84Å; T775-L779 VanDerWaalsContact O-N 3.09Å; T775-L821 HydrophobicContact CG2-CB 3.73Å; T775-L821 HydrophobicContact CG2-CD1 4.47Å
776	M	97.7	Very high	95.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-45.5	177.1	-176.8	67.3	94.9	0	0	111.4	V739 L755 V760 M765 F771 N772 V773 L778 L779 L780 L793 F797	V739-M776 HydrophobicContact CG1-CE 4.42Å; L755-M776 HydrophobicContact CD1-SD 4.31Å; L755-M776 HydrophobicContact CD2-SD 4.27Å; V760-M776 HydrophobicContact CG1-CE 3.76Å; V760-M776 HydrophobicContact CG1-SD 4.01Å; M765-M776 HydrophobicContact CE-CE 3.68Å; M765-M776 HydrophobicContact CG-CE 3.9Å; M765-M776 HydrophobicContact SD-CE 3.67Å; F771-M776 HydrophobicContact CE1-CB 4.32Å; F771-M776 HydrophobicContact CE1-CE 4Å; F771-M776 HydrophobicContact CE1-SD 4.49Å; F771-M776 HydrophobicContact CZ-CB 4.29Å; F771-M776 HydrophobicContact CZ-CE 4.1Å; F771-M776 HydrophobicContact CZ-SD 4.12Å; N772-M776 PolarHBondContact O-N 3.29Å; V773-M776 PolarHBondContact O-N 3.48Å; M776-L778 VanDerWaalsContact C-N 3.31Å; M776-L778 PolarHBondContact O-N 3.06Å; M776-L779 PolarHBondContact O-N 3.07Å; M776-L780 HydrophobicContact CG-CD1 3.81Å; M776-L780 HydrophobicContact CG-CG 4.36Å; M776-L780 WeakPolarHBondContact O-CB 3.32Å; M776-L780 VanDerWaalsContact O-CG 3.3Å; M776-L780 WeakPolarHBondContact O-CG 3.44Å; M776-L780 PolarHBondContact O-N 2.96Å; M776-L780 HydrophobicContact SD-CD1 4.27Å; M776-L780 HydrophobicContact SD-CG 4.37Å; M776-L793 HydrophobicContact CB-CD2 4.43Å; M776-L793 HydrophobicContact CG-CD1 4.17Å; M776-L793 HydrophobicContact CG-CD2 4.09Å; M776-F797 HydrophobicContact CE-CD2 4.24Å; M776-F797 HydrophobicContact CE-CE2 4.05Å
777	A	97.4	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-36.8	179.2	0	0	0	0	0	112.4	V773 E774 N781 I782 R790 L793	V773-A777 WeakPolarHBondContact O-CB 3.39Å; V773-A777 PolarHBondContact O-N 3.07Å; E774-A777 PolarHBondContact O-N 3.04Å; A777-N781 PolarHBondContact O-N 3.14Å; A777-I782 HydrophobicContact CB-CB 4.46Å; A777-I782 PolarHBondContact O-N 3.08Å; A777-R790 HydrophobicContact CB-CG 4.33Å; A777-L793 HydrophobicContact CB-CD2 3.92Å
778	L	96.1	Very high	95.6	Very high	71 Å²	71	49.4 Å²	49.4	37%	0.372	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-44	172.4	-72.8	171.6	0	0	0	112.2	E774 T775 M776 L780 N781 L820	E774-L778 WeakPolarHBondContact O-CG 3.28Å; E774-L778 PolarHBondContact O-N 3.1Å; E774-L778 VanDerWaalsContact O-N 3.1Å; T775-L778 PolarHBondContact O-N 3.25Å; M776-L778 VanDerWaalsContact C-N 3.31Å; M776-L778 PolarHBondContact O-N 3.06Å; L778-L780 VanDerWaalsContact C-N 3.3Å; L778-L780 PolarHBondContact O-N 2.95Å; L778-N781 PolarHBondContact O-N 3.3Å; L778-L820 HydrophobicContact CD1-CD2 3.95Å; L778-L820 HydrophobicContact CD1-CG 4.47Å
779	L	97.3	Very high	95.8	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-72.3	-24.3	179.7	-65.4	168.9	0	0	0	113.3	L694 L755 V760 F771 T775 M776 A823	L694-L779 HydrophobicContact CD1-CD1 4.47Å; L694-L779 HydrophobicContact CD2-CD1 3.75Å; L694-L779 HydrophobicContact CD2-CD2 3.61Å; L694-L779 HydrophobicContact CD2-CG 4.3Å; L755-L779 HydrophobicContact CD2-CB 4.1Å; V760-L779 HydrophobicContact CG2-CD1 3.54Å; F771-L779 HydrophobicContact CE2-CD1 3.73Å; F771-L779 HydrophobicContact CZ-CD1 4.3Å; T775-L779 HydrophobicContact CG2-CD1 4.06Å; T775-L779 WeakPolarHBondContact O-CG 3.21Å; T775-L779 PolarHBondContact O-N 2.84Å; T775-L779 VanDerWaalsContact O-N 3.09Å; M776-L779 PolarHBondContact O-N 3.07Å; L779-A823 HydrophobicContact CD2-CB 3.99Å
780	L	97.9	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.2	169.4	-70.4	173.8	0	0	0	113.4	L743 Y751 N754 L755 M776 L778 I782 L793	L743-L780 HydrophobicContact CD1-CD1 4.43Å; L743-L780 HydrophobicContact CD1-CD2 3.56Å; L743-L780 HydrophobicContact CD2-CD1 4.04Å; Y751-L780 WeakPolarHBondContact CD1-O 3.46Å; Y751-L780 WeakPolarHBondContact O-CD2 3.3Å; N754-L780 PolarHBondContact ND2-O 2.93Å; L755-L780 HydrophobicContact CD1-CD2 4.16Å; L755-L780 HydrophobicContact CD2-CD2 3.7Å; L755-L780 HydrophobicContact CD2-CG 4.15Å; L755-L780 HydrophobicContact CG-CD2 3.68Å; M776-L780 HydrophobicContact CG-CD1 3.81Å; M776-L780 HydrophobicContact CG-CG 4.36Å; M776-L780 WeakPolarHBondContact O-CB 3.32Å; M776-L780 VanDerWaalsContact O-CG 3.3Å; M776-L780 WeakPolarHBondContact O-CG 3.44Å; M776-L780 PolarHBondContact O-N 2.96Å; M776-L780 HydrophobicContact SD-CD1 4.27Å; M776-L780 HydrophobicContact SD-CG 4.37Å; L778-L780 VanDerWaalsContact C-N 3.3Å; L778-L780 PolarHBondContact O-N 2.95Å; L780-I782 HydrophobicContact CB-CD1 3.8Å; L780-I782 HydrophobicContact CB-CG1 3.83Å; L780-I782 HydrophobicContact CD1-CD1 3.91Å; L780-I782 PolarHBondContact O-N 2.89Å; L780-L793 HydrophobicContact CD1-CD1 4.05Å; L780-L793 HydrophobicContact CD1-CD2 3.86Å
781	N	97.1	Very high	96.3	Very high	112 Å²	112	55.2 Å²	55.2	60%	0.599	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	29.4	-171.4	-63.8	-41	0	0	0	114	A777 L778 P783	A777-N781 PolarHBondContact O-N 3.14Å; L778-N781 PolarHBondContact O-N 3.3Å; N781-P783 WeakPolarHBondContact O-CD 3.49Å
782	I	97.4	Very high	96.4	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	30%	0.297	C	S	.	.			trans	-81	112.5	177.6	-61.1	170	0	0	0	109.2	Y751 A777 L780 K786 L789 R790 L793	Y751-I782 HydrophobicContact CD1-CD1 4.26Å; Y751-I782 HydrophobicContact CD1-CG1 3.54Å; Y751-I782 HydrophobicContact CD2-CD1 4.13Å; Y751-I782 HydrophobicContact CD2-CG1 4.24Å; Y751-I782 HydrophobicContact CE1-CG1 3.79Å; Y751-I782 HydrophobicContact CE2-CG1 4.46Å; Y751-I782 HydrophobicContact CG-CD1 4.02Å; Y751-I782 HydrophobicContact CG-CG1 3.82Å; A777-I782 HydrophobicContact CB-CB 4.46Å; A777-I782 PolarHBondContact O-N 3.08Å; L780-I782 HydrophobicContact CB-CD1 3.8Å; L780-I782 HydrophobicContact CB-CG1 3.83Å; L780-I782 HydrophobicContact CD1-CD1 3.91Å; L780-I782 PolarHBondContact O-N 2.89Å; I782-K786 HydrophobicContact CG2-CB 4.29Å; I782-L789 HydrophobicContact CG2-CB 4.12Å; I782-R790 HydrophobicContact CG2-CG 3.71Å; I782-R790 PolarHBondContact O-NE 3.26Å; I782-R790 PolarHBondContact O-NH2 3.37Å; I782-L793 HydrophobicContact CD1-CD2 4.16Å
783	P	94.9	Very high	96.6	Very high	54 Å²	54	57.6 Å²	57.6	35%	0.351	30%	0.296	S	S	.	.			trans	-61.9	149.8	-177.1	-27	38.7	0	0	0	113.6	N781 N785 K786 R790	N781-P783 WeakPolarHBondContact O-CD 3.49Å; P783-N785 VanDerWaalsContact C-N 3.25Å; P783-N785 WeakPolarHBondContact CB-OD1 3.37Å; P783-N785 PolarHBondContact O-N 3Å; P783-K786 HydrophobicContact CB-CG 4.28Å; P783-K786 HydrophobicContact CG-CG 4.37Å; P783-K786 PolarHBondContact O-N 2.85Å; P783-K786 VanDerWaalsContact O-N 3.1Å; P783-R790 WeakPolarHBondContact O-CD 3.19Å; P783-R790 PolarHBondContact O-NE 3.27Å
784	P	93.4	Very high	96.7	Very high	98 Å²	98	57.6 Å²	57.6	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.5	-177	24.9	-34.2	0	0	0	113.9
785	N	95.3	Very high	96.8	Very high	125 Å²	125	57.3 Å²	57.3	67%	0.668	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.5	176.4	64.2	-27.4	0	0	0	114.1	P783 T787	P783-N785 VanDerWaalsContact C-N 3.25Å; P783-N785 WeakPolarHBondContact CB-OD1 3.37Å; P783-N785 PolarHBondContact O-N 3Å; N785-T787 PolarHBondContact O-N 2.91Å
786	K	96.3	Very high	96.9	Very high	98 Å²	98	59.9 Å²	59.9	43%	0.426	32%	0.315	S	S	.	.			trans	-80.3	59.1	173.7	-60.6	-84.8	-171.8	167.4	0	110.2	I782 P783 L788 L789 R790	I782-K786 HydrophobicContact CG2-CB 4.29Å; P783-K786 HydrophobicContact CB-CG 4.28Å; P783-K786 HydrophobicContact CG-CG 4.37Å; P783-K786 PolarHBondContact O-N 2.85Å; P783-K786 VanDerWaalsContact O-N 3.1Å; K786-L788 VanDerWaalsContact C-N 3.29Å; K786-L788 PolarHBondContact O-N 3.2Å; K786-L789 HydrophobicContact CB-CB 4.46Å; K786-L789 HydrophobicContact CB-CD1 4.12Å; K786-L789 PolarHBondContact O-N 3.1Å; K786-R790 PolarHBondContact O-N 3.01Å; K786-R790 VanDerWaalsContact O-N 3.17Å
787	T	96.3	Very high	96.8	Very high	95 Å²	95	60 Å²	60	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-58.8	-34.2	-170.5	56.8	0	0	0	0	113.9	N785 R790 R791	N785-T787 PolarHBondContact O-N 2.91Å; T787-R790 PolarHBondContact O-N 3.02Å; T787-R791 WeakPolarHBondContact O-CB 3.43Å; T787-R791 PolarHBondContact O-N 2.99Å
788	L	97.4	Very high	96.7	Very high	121 Å²	121	61.3 Å²	61.3	63%	0.634	32%	0.324	S	S	*	.	H	α-helix	trans	-62.8	-47.8	176.2	-69.9	175.2	0	0	0	112.2	K786 R790 R791 H792	K786-L788 VanDerWaalsContact C-N 3.29Å; K786-L788 PolarHBondContact O-N 3.2Å; L788-R790 VanDerWaalsContact C-N 3.33Å; L788-R790 PolarHBondContact O-N 3.42Å; L788-R791 PolarHBondContact O-N 2.84Å; L788-H792 WeakPolarHBondContact O-CB 3.38Å; L788-H792 PolarHBondContact O-N 3.22Å
789	L	97.6	Very high	96.6	Very high	45 Å²	45	64.1 Å²	64.1	24%	0.236	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-39.1	177.4	-66.1	176.6	0	0	0	111.5	L748 Y751 I782 K786 H792 L793	L748-L789 HydrophobicContact CD2-CD2 4.15Å; Y751-L789 HydrophobicContact CE2-CD1 3.97Å; Y751-L789 WeakPolarHBondContact OH-CD1 3.46Å; I782-L789 HydrophobicContact CG2-CB 4.12Å; K786-L789 HydrophobicContact CB-CB 4.46Å; K786-L789 HydrophobicContact CB-CD1 4.12Å; K786-L789 PolarHBondContact O-N 3.1Å; L789-H792 PolarHBondContact O-N 3.06Å; L789-L793 WeakPolarHBondContact O-CB 3.41Å; L789-L793 PolarHBondContact O-N 3.22Å
790	R	97.3	Very high	96.4	Very high	25 Å²	25	64.3 Å²	64.3	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-67.5	-38.2	177.5	-73.5	173.1	153	-102.5	3.6	112.6	E774 A777 I782 P783 K786 T787 L788 A794	E774-R790 IonicContact OE1-CZ 3.61Å; E774-R790 IonicContact OE1-NH1 3.21Å; E774-R790 PolarHBondContact OE1-NH1 3.07Å; E774-R790 IonicContact OE1-NH2 2.73Å; E774-R790 IonicContact OE2-NH1 3.74Å; E774-R790 PolarHBondContact OE2-NH1 3.25Å; A777-R790 HydrophobicContact CB-CG 4.33Å; I782-R790 HydrophobicContact CG2-CG 3.71Å; I782-R790 PolarHBondContact O-NE 3.26Å; I782-R790 PolarHBondContact O-NH2 3.37Å; P783-R790 WeakPolarHBondContact O-CD 3.19Å; P783-R790 PolarHBondContact O-NE 3.27Å; K786-R790 PolarHBondContact O-N 3.01Å; K786-R790 VanDerWaalsContact O-N 3.17Å; T787-R790 PolarHBondContact O-N 3.02Å; L788-R790 VanDerWaalsContact C-N 3.33Å; L788-R790 PolarHBondContact O-N 3.42Å; R790-A794 WeakPolarHBondContact O-CB 3.43Å; R790-A794 PolarHBondContact O-N 3.02Å
791	R	97.6	Very high	96.1	Very high	172 Å²	172	64.4 Å²	64.4	65%	0.649	34%	0.34	S	S	*	.	H	α-helix	trans	-66.3	-42	172.1	-174.8	177	63.9	124.5	1.8	111.8	T787 L788 A794 T795	T787-R791 WeakPolarHBondContact O-CB 3.43Å; T787-R791 PolarHBondContact O-N 2.99Å; L788-R791 PolarHBondContact O-N 2.84Å; R791-A794 WeakPolarHBondContact O-CB 3.29Å; R791-A794 PolarHBondContact O-N 3.41Å; R791-T795 PolarHBondContact O-N 3.41Å; R791-T795 PolarHBondContact O-OG1 2.97Å
792	H	98.1	Very high	95.8	Very high	57 Å²	57	60.1 Å²	60.1	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-51.3	175.8	-173.3	68.4	0	0	0	111.6	V746 L788 L789 A794 T795 H796	V746-H792 PolarHBondContact O-NE2 3.44Å; L788-H792 WeakPolarHBondContact O-CB 3.38Å; L788-H792 PolarHBondContact O-N 3.22Å; L789-H792 PolarHBondContact O-N 3.06Å; H792-A794 VanDerWaalsContact C-N 3.31Å; H792-A794 PolarHBondContact O-N 2.86Å; H792-T795 PolarHBondContact O-N 3.2Å; H792-H796 AromaticContact CE1-CD2 3.37Å; H792-H796 PolarHBondContact CE1-CD2 2.9Å; H792-H796 AromaticContact CE1-NE2 3.2Å; H792-H796 PolarHBondContact CE1-NE2 3.36Å; H792-H796 AromaticContact ND1-CD2 3.69Å; H792-H796 AromaticContact ND1-NE2 3.79Å; H792-H796 AromaticContact NE2-CD2 3.64Å; H792-H796 AromaticContact NE2-NE2 3.78Å; H792-H796 PolarHBondContact O-CD2 2.93Å; H792-H796 PolarHBondContact O-N 2.91Å
793	L	98.3	Very high	95.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-56.6	-42.5	172.9	178.1	65.2	0	0	0	111.8	W742 L743 L748 V773 M776 A777 L780 I782 L789 F797	W742-L793 HydrophobicContact CH2-CD1 4.32Å; L743-L793 HydrophobicContact CD2-CD1 4.3Å; L748-L793 HydrophobicContact CD1-CB 3.94Å; L748-L793 HydrophobicContact CD1-CD1 3.75Å; L748-L793 HydrophobicContact CD1-CG 4.39Å; V773-L793 HydrophobicContact CG1-CD2 4.37Å; V773-L793 HydrophobicContact CG1-CG 4.27Å; M776-L793 HydrophobicContact CB-CD2 4.43Å; M776-L793 HydrophobicContact CG-CD1 4.17Å; M776-L793 HydrophobicContact CG-CD2 4.09Å; A777-L793 HydrophobicContact CB-CD2 3.92Å; L780-L793 HydrophobicContact CD1-CD1 4.05Å; L780-L793 HydrophobicContact CD1-CD2 3.86Å; I782-L793 HydrophobicContact CD1-CD2 4.16Å; L789-L793 WeakPolarHBondContact O-CB 3.41Å; L789-L793 PolarHBondContact O-N 3.22Å; L793-F797 WeakPolarHBondContact O-CB 3.49Å; L793-F797 PolarHBondContact O-N 3.3Å
794	A	97.3	Very high	95.2	Very high	32 Å²	32	65.9 Å²	65.9	26%	0.264	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-48.1	177.6	0	0	0	0	0	112.1	V773 R790 R791 H792 S798	V773-A794 HydrophobicContact CG1-CB 3.83Å; V773-A794 HydrophobicContact CG2-CB 4.23Å; R790-A794 WeakPolarHBondContact O-CB 3.43Å; R790-A794 PolarHBondContact O-N 3.02Å; R791-A794 WeakPolarHBondContact O-CB 3.29Å; R791-A794 PolarHBondContact O-N 3.41Å; H792-A794 VanDerWaalsContact C-N 3.31Å; H792-A794 PolarHBondContact O-N 2.86Å; A794-S798 WeakPolarHBondContact O-CB 3.48Å; A794-S798 PolarHBondContact O-N 3.1Å; A794-S798 PolarHBondContact O-OG 3.39Å
795	T	96.8	Very high	95.1	Very high	75 Å²	75	61.6 Å²	61.6	46%	0.46	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-51.7	178.5	-61.9	0	0	0	0	111.2	R791 H792 L799	R791-T795 PolarHBondContact O-N 3.41Å; R791-T795 PolarHBondContact O-OG1 2.97Å; H792-T795 PolarHBondContact O-N 3.2Å; T795-L799 HydrophobicContact CG2-CD1 4.01Å; T795-L799 WeakPolarHBondContact O-CB 3.35Å; T795-L799 VanDerWaalsContact O-CG 3.28Å; T795-L799 WeakPolarHBondContact O-CG 3.35Å; T795-L799 PolarHBondContact O-N 3.39Å
796	H	96.8	Very high	94.9	Very high	56 Å²	56	60.1 Å²	60.1	26%	0.259	32%	0.318	S	S	.	.	H	α-helix	trans	-69.1	-34.7	-178.8	-76.9	-81.2	0	0	0	113.3	W742 V746 H792 L800	W742-H796 HydrophobicContact CZ2-CB 4.03Å; V746-H796 HydrophobicContact CB-CB 4.17Å; V746-H796 HydrophobicContact CG1-CB 4.09Å; V746-H796 WeakPolarHBondContact CG1-ND1 3.36Å; V746-H796 HydrophobicContact CG2-CB 4.31Å; H792-H796 AromaticContact CE1-CD2 3.37Å; H792-H796 PolarHBondContact CE1-CD2 2.9Å; H792-H796 AromaticContact CE1-NE2 3.2Å; H792-H796 PolarHBondContact CE1-NE2 3.36Å; H792-H796 AromaticContact ND1-CD2 3.69Å; H792-H796 AromaticContact ND1-NE2 3.79Å; H792-H796 AromaticContact NE2-CD2 3.64Å; H792-H796 AromaticContact NE2-NE2 3.78Å; H792-H796 PolarHBondContact O-CD2 2.93Å; H792-H796 PolarHBondContact O-N 2.91Å; H796-L800 WeakPolarHBondContact O-CB 3.38Å; H796-L800 PolarHBondContact O-N 2.96Å
797	F	96.9	Very high	94.7	Very high	3 Å²	3	61 Å²	61	1%	0.013	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-46	176.6	-178.8	-95.4	0	0	0	111.7	W742 M765 F771 V773 M776 L793 L800 I801 K809	W742-F797 HydrophobicContact CH2-CB 4.4Å; M765-F797 HydrophobicContact CB-CE2 4.34Å; M765-F797 HydrophobicContact CE-CD2 4.09Å; M765-F797 HydrophobicContact CE-CE2 3.94Å; M765-F797 HydrophobicContact CG-CE2 4.31Å; F771-F797 HydrophobicContact CD1-CZ 4.27Å; F771-F797 HydrophobicContact CE1-CE2 4.16Å; F771-F797 HydrophobicContact CE1-CZ 4.3Å; V773-F797 HydrophobicContact CG2-CB 4.17Å; V773-F797 HydrophobicContact CG2-CD1 3.48Å; V773-F797 VanDerWaalsContact CG2-CD1 3.48Å; V773-F797 HydrophobicContact CG2-CE1 4.13Å; V773-F797 HydrophobicContact CG2-CG 4.06Å; M776-F797 HydrophobicContact CE-CD2 4.24Å; M776-F797 HydrophobicContact CE-CE2 4.05Å; L793-F797 WeakPolarHBondContact O-CB 3.49Å; L793-F797 PolarHBondContact O-N 3.3Å; F797-L800 PolarHBondContact O-N 2.89Å; F797-I801 HydrophobicContact CD1-CD1 4.11Å; F797-I801 HydrophobicContact CE1-CD1 3.65Å; F797-I801 HydrophobicContact CE1-CG1 4.45Å; F797-I801 HydrophobicContact CE1-CG2 4.24Å; F797-I801 HydrophobicContact CE2-CG2 4.18Å; F797-I801 HydrophobicContact CZ-CD1 4.32Å; F797-I801 HydrophobicContact CZ-CG2 4.04Å; F797-I801 WeakPolarHBondContact O-CG1 3.35Å; F797-I801 PolarHBondContact O-N 3.35Å; F797-K809 HydrophobicContact CE1-CD 4.25Å
798	S	94.7	Very high	94.4	Very high	26 Å²	26	60.4 Å²	60.4	18%	0.182	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-40.7	176.4	-69.3	0	0	0	0	112.7	A794 L800 G802	A794-S798 WeakPolarHBondContact O-CB 3.48Å; A794-S798 PolarHBondContact O-N 3.1Å; A794-S798 PolarHBondContact O-OG 3.39Å; S798-L800 VanDerWaalsContact C-N 3.27Å; S798-L800 PolarHBondContact O-N 3.29Å; S798-G802 PolarHBondContact O-N 3.3Å
799	L	93.2	Very high	94.2	Very high	131 Å²	131	55.1 Å²	55.1	69%	0.686	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-36.3	173.5	-74.4	171.1	0	0	0	112.2	T795	T795-L799 HydrophobicContact CG2-CD1 4.01Å; T795-L799 WeakPolarHBondContact O-CB 3.35Å; T795-L799 VanDerWaalsContact O-CG 3.28Å; T795-L799 WeakPolarHBondContact O-CG 3.35Å; T795-L799 PolarHBondContact O-N 3.39Å
800	L	93.4	Very high	93.9	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-70.4	-57.1	177.1	-179.4	71.2	0	0	0	111.9	I731 W734 W742 M765 H796 F797 S798 G802	I731-L800 HydrophobicContact CD1-CD1 3.54Å; I731-L800 HydrophobicContact CD1-CG 4.02Å; I731-L800 WeakPolarHBondContact CD1-O 3.4Å; I731-L800 HydrophobicContact CG1-CD1 4.02Å; I731-L800 HydrophobicContact CG2-CD1 4.23Å; I731-L800 HydrophobicContact CG2-CD2 4.29Å; I731-L800 HydrophobicContact CG2-CG 4.07Å; W734-L800 HydrophobicContact CE3-CD2 4.46Å; W734-L800 HydrophobicContact CH2-CD1 3.42Å; W734-L800 VanDerWaalsContact CH2-CD1 3.42Å; W734-L800 HydrophobicContact CH2-CD2 4.43Å; W734-L800 HydrophobicContact CZ2-CD1 4.16Å; W734-L800 HydrophobicContact CZ3-CD1 3.67Å; W734-L800 HydrophobicContact CZ3-CD2 3.82Å; W734-L800 HydrophobicContact CZ3-CG 4.39Å; W742-L800 HydrophobicContact CD2-CD2 3.86Å; W742-L800 HydrophobicContact CE3-CD2 4.2Å; W742-L800 HydrophobicContact CG-CD2 4.36Å; W742-L800 HydrophobicContact CH2-CD2 4.26Å; W742-L800 HydrophobicContact CZ2-CB 4.18Å; W742-L800 HydrophobicContact CZ2-CD2 3.9Å; W742-L800 HydrophobicContact CZ3-CD2 4.4Å; M765-L800 HydrophobicContact CE-CD2 3.47Å; M765-L800 VanDerWaalsContact CE-CD2 3.47Å; H796-L800 WeakPolarHBondContact O-CB 3.38Å; H796-L800 PolarHBondContact O-N 2.96Å; F797-L800 PolarHBondContact O-N 2.89Å; S798-L800 VanDerWaalsContact C-N 3.27Å; S798-L800 PolarHBondContact O-N 3.29Å; L800-G802 VanDerWaalsContact C-N 3.26Å; L800-G802 PolarHBondContact O-N 3Å
801	I	92.8	Very high	93.6	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-71.7	-19.2	-170.9	66.4	170.1	0	0	0	114	V766 F797 A805 Q806 K809	V766-I801 HydrophobicContact CG2-CG2 4.47Å; F797-I801 HydrophobicContact CD1-CD1 4.11Å; F797-I801 HydrophobicContact CE1-CD1 3.65Å; F797-I801 HydrophobicContact CE1-CG1 4.45Å; F797-I801 HydrophobicContact CE1-CG2 4.24Å; F797-I801 HydrophobicContact CE2-CG2 4.18Å; F797-I801 HydrophobicContact CZ-CD1 4.32Å; F797-I801 HydrophobicContact CZ-CG2 4.04Å; F797-I801 WeakPolarHBondContact O-CG1 3.35Å; F797-I801 PolarHBondContact O-N 3.35Å; I801-A805 HydrophobicContact CB-CB 3.96Å; I801-A805 HydrophobicContact CD1-CB 3.94Å; I801-A805 HydrophobicContact CG1-CB 4.09Å; I801-Q806 HydrophobicContact CD1-CB 4.27Å; I801-K809 HydrophobicContact CD1-CD 3.57Å; I801-K809 VanDerWaalsContact CD1-CE 3.41Å
802	G	90.9	Very high	93.3	Very high	22 Å²	22	53.5 Å²	53.5	23%	0.227	29%	0.29	C	S	.	.	H	α-helix	trans	80.6	163.9	-176.3	0	0	0	0	0	114.1	S798 L800 E804 A805 Q806	S798-G802 PolarHBondContact O-N 3.3Å; L800-G802 VanDerWaalsContact C-N 3.26Å; L800-G802 PolarHBondContact O-N 3Å; G802-E804 PolarHBondContact O-N 3.22Å; G802-A805 PolarHBondContact O-N 3.38Å; G802-Q806 WeakPolarHBondContact O-CB 3.38Å; G802-Q806 PolarHBondContact O-N 2.97Å
803	S	89.8	Confident	92.8	Very high	99 Å²	99	54.3 Å²	54.3	69%	0.692	30%	0.296	S	S	*	.	H	α-helix	trans	-63.1	-38	-171.2	48.7	0	0	0	0	114.4	Q806 Q807	S803-Q806 PolarHBondContact O-N 2.88Å; S803-Q807 WeakPolarHBondContact O-CB 3.33Å; S803-Q807 PolarHBondContact O-N 2.8Å
804	E	89	Confident	92.4	Very high	79 Å²	79	60.7 Å²	60.7	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-60.3	-50.6	177.9	-177	-178	174.4	0	0	111.4	G802 Q806 Q807 L808 G861	G802-E804 PolarHBondContact O-N 3.22Å; E804-Q806 VanDerWaalsContact C-N 3.33Å; E804-Q806 PolarHBondContact O-N 3.33Å; E804-Q807 PolarHBondContact O-N 3.25Å; E804-L808 WeakPolarHBondContact O-CG 3.48Å; E804-L808 PolarHBondContact O-N 3.49Å; E804-L808 VanDerWaalsContact O-N 3.12Å; E804-G861 PolarHBondContact OE1-N 3.05Å; E804-G861 WeakPolarHBondContact OE2-CA 3.42Å
805	A	91.3	Very high	92	Very high	9 Å²	9	63.7 Å²	63.7	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-68.7	-31.6	177.7	0	0	0	0	0	112.2	V766 I801 G802 K809	V766-A805 HydrophobicContact CG1-CB 4.25Å; I801-A805 HydrophobicContact CB-CB 3.96Å; I801-A805 HydrophobicContact CD1-CB 3.94Å; I801-A805 HydrophobicContact CG1-CB 4.09Å; G802-A805 PolarHBondContact O-N 3.38Å; A805-K809 WeakPolarHBondContact O-CD 3.38Å; A805-K809 WeakPolarHBondContact O-CE 3.12Å; A805-K809 WeakPolarHBondContact O-CG 3.38Å; A805-K809 PolarHBondContact O-N 3.31Å
806	Q	92.3	Very high	91.3	Very high	93 Å²	93	66.1 Å²	66.1	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-45.3	172.8	-174.4	-176.1	-10.6	0	0	111.6	I801 G802 S803 E804 K809 Q810	I801-Q806 HydrophobicContact CD1-CB 4.27Å; G802-Q806 WeakPolarHBondContact O-CB 3.38Å; G802-Q806 PolarHBondContact O-N 2.97Å; S803-Q806 PolarHBondContact O-N 2.88Å; E804-Q806 VanDerWaalsContact C-N 3.33Å; E804-Q806 PolarHBondContact O-N 3.33Å; Q806-K809 PolarHBondContact O-N 2.98Å; Q806-Q810 PolarHBondContact O-N 2.96Å
807	Q	91.1	Very high	90.7	Very high	118 Å²	118	70.6 Å²	70.6	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-61.2	-49.3	179	178.8	175.9	-17.9	0	0	111.3	S803 E804 K809 Q810 E811	S803-Q807 WeakPolarHBondContact O-CB 3.33Å; S803-Q807 PolarHBondContact O-N 2.8Å; E804-Q807 PolarHBondContact O-N 3.25Å; Q807-K809 PolarHBondContact O-N 3.42Å; Q807-Q810 WeakPolarHBondContact O-CB 3.26Å; Q807-Q810 PolarHBondContact O-N 3.2Å; Q807-E811 HydrophobicContact CG-CG 4.34Å; Q807-E811 VanDerWaalsContact CG-OE1 3.31Å; Q807-E811 WeakPolarHBondContact CG-OE1 3.48Å; Q807-E811 PolarHBondContact NE2-OE1 2.93Å; Q807-E811 WeakPolarHBondContact O-CG 3.34Å; Q807-E811 PolarHBondContact O-N 2.88Å
808	L	90.8	Very high	90.1	Very high	82 Å²	82	72.9 Å²	72.9	43%	0.429	39%	0.389	S	S	.	.	H	α-helix	trans	-58.9	-32.8	178.4	-68.8	170.5	0	0	0	112.9	E804 C812	E804-L808 WeakPolarHBondContact O-CG 3.48Å; E804-L808 PolarHBondContact O-N 3.49Å; E804-L808 VanDerWaalsContact O-N 3.12Å; L808-C812 VanDerWaalsContact O-CB 3.23Å; L808-C812 WeakPolarHBondContact O-CB 3.44Å; L808-C812 PolarHBondContact O-N 3.47Å
809	K	93.2	Very high	89.6	Confident	9 Å²	9	75.9 Å²	75.9	4%	0.039	41%	0.407	C	S	.	.	H	α-helix	trans	-75.2	-33.7	175.7	-67.8	163.7	-162.4	-65.8	0	112.4	M765 E768 P769 F771 F797 I801 A805 Q806 Q807 L813	M765-K809 WeakPolarHBondContact O-CE 3.18Å; M765-K809 PolarHBondContact O-NZ 3.36Å; E768-K809 PolarHBondContact O-NZ 2.88Å; P769-K809 WeakPolarHBondContact O-CG 3.44Å; F771-K809 WeakPolarHBondContact O-CD 3.49Å; F771-K809 PolarHBondContact O-NZ 3.29Å; F797-K809 HydrophobicContact CE1-CD 4.25Å; I801-K809 HydrophobicContact CD1-CD 3.57Å; I801-K809 VanDerWaalsContact CD1-CE 3.41Å; A805-K809 WeakPolarHBondContact O-CD 3.38Å; A805-K809 WeakPolarHBondContact O-CE 3.12Å; A805-K809 WeakPolarHBondContact O-CG 3.38Å; A805-K809 PolarHBondContact O-N 3.31Å; Q806-K809 PolarHBondContact O-N 2.98Å; Q807-K809 PolarHBondContact O-N 3.42Å; K809-L813 WeakPolarHBondContact O-CB 3.17Å; K809-L813 WeakPolarHBondContact O-CG 3.3Å; K809-L813 PolarHBondContact O-N 2.87Å
810	Q	91.4	Very high	89.2	Confident	100 Å²	100	72.5 Å²	72.5	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-68.8	-48.8	173.9	-177.4	61.4	28.7	0	0	111	Q806 Q807 C812 L813 E814	Q806-Q810 PolarHBondContact O-N 2.96Å; Q807-Q810 WeakPolarHBondContact O-CB 3.26Å; Q807-Q810 PolarHBondContact O-N 3.2Å; Q810-C812 VanDerWaalsContact C-N 3.26Å; Q810-C812 PolarHBondContact O-N 3.14Å; Q810-L813 WeakPolarHBondContact O-CB 3.47Å; Q810-L813 PolarHBondContact O-N 3.19Å; Q810-E814 WeakPolarHBondContact CG-OE1 3.21Å; Q810-E814 PolarHBondContact NE2-OE1 3.12Å; Q810-E814 WeakPolarHBondContact O-CG 3.43Å; Q810-E814 PolarHBondContact O-N 3.35Å
811	E	90.8	Very high	88.9	Confident	85 Å²	85	71.6 Å²	71.6	40%	0.397	38%	0.384	S	S	.	.	H	α-helix	trans	-57.2	-41.2	173.3	-69.3	172	-176.3	0	0	111	Q807 L813 E814 N815	Q807-E811 HydrophobicContact CG-CG 4.34Å; Q807-E811 VanDerWaalsContact CG-OE1 3.31Å; Q807-E811 WeakPolarHBondContact CG-OE1 3.48Å; Q807-E811 PolarHBondContact NE2-OE1 2.93Å; Q807-E811 WeakPolarHBondContact O-CG 3.34Å; Q807-E811 PolarHBondContact O-N 2.88Å; E811-L813 PolarHBondContact O-N 2.85Å; E811-E814 PolarHBondContact O-N 3.29Å; E811-N815 PolarHBondContact O-ND2 3.29Å
812	C	90.1	Very high	88.6	Confident	24 Å²	24	73.9 Å²	73.9	16%	0.162	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-39.1	174.7	-169.8	0	0	0	0	113	P769 L808 Q810 N815 Y818	P769-C812 HydrophobicContact CB-CB 3.71Å; L808-C812 VanDerWaalsContact O-CB 3.23Å; L808-C812 WeakPolarHBondContact O-CB 3.44Å; L808-C812 PolarHBondContact O-N 3.47Å; Q810-C812 VanDerWaalsContact C-N 3.26Å; Q810-C812 PolarHBondContact O-N 3.14Å; C812-N815 PolarHBondContact O-N 3.27Å; C812-Y818 VanDerWaalsContact O-CD2 3.25Å; C812-Y818 WeakPolarHBondContact O-CD2 3.35Å
813	L	88.9	Confident	88.3	Confident	73 Å²	73	75 Å²	75	38%	0.382	41%	0.406	S	S	.	.	H	α-helix	trans	-69	-30	176.5	-87.6	164.6	0	0	0	113.7	K809 Q810 E811 N815 Y818	K809-L813 WeakPolarHBondContact O-CB 3.17Å; K809-L813 WeakPolarHBondContact O-CG 3.3Å; K809-L813 PolarHBondContact O-N 2.87Å; Q810-L813 WeakPolarHBondContact O-CB 3.47Å; Q810-L813 PolarHBondContact O-N 3.19Å; E811-L813 PolarHBondContact O-N 2.85Å; L813-N815 VanDerWaalsContact C-N 3.27Å; L813-N815 PolarHBondContact O-N 2.93Å; L813-Y818 HydrophobicContact CD2-CD1 4Å; L813-Y818 HydrophobicContact CD2-CE1 3.65Å; L813-Y818 HydrophobicContact CD2-CE2 4.2Å; L813-Y818 HydrophobicContact CD2-CG 4.43Å; L813-Y818 HydrophobicContact CG-CE2 4.48Å
814	E	88.8	Confident	88.1	Confident	134 Å²	134	76 Å²	76	63%	0.626	41%	0.408	S	S	*	.	H	α-helix	trans	-78.5	-8.2	179.7	-72.4	173.9	-166.6	0	0	113.5	Q810 E811	Q810-E814 WeakPolarHBondContact CG-OE1 3.21Å; Q810-E814 PolarHBondContact NE2-OE1 3.12Å; Q810-E814 WeakPolarHBondContact O-CG 3.43Å; Q810-E814 PolarHBondContact O-N 3.35Å; E811-E814 PolarHBondContact O-N 3.29Å
815	N	88.9	Confident	88.1	Confident	95 Å²	95	75 Å²	75	51%	0.508	41%	0.407	S	S	.	.	S	Bend	trans	-71.5	131.7	175.2	-82	-91.6	0	0	0	111.4	E811 C812 L813 D817 Y818	E811-N815 PolarHBondContact O-ND2 3.29Å; C812-N815 PolarHBondContact O-N 3.27Å; L813-N815 VanDerWaalsContact C-N 3.27Å; L813-N815 PolarHBondContact O-N 2.93Å; N815-D817 PolarHBondContact O-N 3.17Å; N815-Y818 WeakPolarHBondContact O-CB 3.09Å; N815-Y818 PolarHBondContact O-N 3.28Å
816	P	81.7	Confident	88	Confident	127 Å²	127	82.6 Å²	82.6	83%	0.825	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.4	-176.8	26.8	-35.2	0	0	0	114.1	Y818	P816-Y818 VanDerWaalsContact C-N 3.31Å
817	D	84.8	Confident	87.8	Confident	149 Å²	149	79.4 Å²	79.4	80%	0.797	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	7.9	174.3	-67.1	-49	0	0	0	113.3	N815 T819	N815-D817 PolarHBondContact O-N 3.17Å; D817-T819 PolarHBondContact O-N 3.33Å; D817-T819 VanDerWaalsContact O-N 3.14Å; D817-T819 PolarHBondContact O-OG1 3.39Å
818	Y	84.3	Confident	87.2	Confident	52 Å²	52	82.8 Å²	82.8	20%	0.204	44%	0.438	C	S	.	.			trans	-59.1	120.1	-178	179.5	-93.3	0	0	0	111.7	R770 N772 C812 L813 N815 P816 L820	R770-Y818 PolarHBondContact O-OH 2.93Å; N772-Y818 PolarHBondContact ND2-OH 2.96Å; C812-Y818 VanDerWaalsContact O-CD2 3.25Å; C812-Y818 WeakPolarHBondContact O-CD2 3.35Å; L813-Y818 HydrophobicContact CD2-CD1 4Å; L813-Y818 HydrophobicContact CD2-CE1 3.65Å; L813-Y818 HydrophobicContact CD2-CE2 4.2Å; L813-Y818 HydrophobicContact CD2-CG 4.43Å; L813-Y818 HydrophobicContact CG-CE2 4.48Å; N815-Y818 WeakPolarHBondContact O-CB 3.09Å; N815-Y818 PolarHBondContact O-N 3.28Å; P816-Y818 VanDerWaalsContact C-N 3.31Å; Y818-L820 HydrophobicContact CE1-CB 3.99Å; Y818-L820 HydrophobicContact CE1-CD1 4.29Å
819	T	84.3	Confident	86.1	Confident	89 Å²	89	83 Å²	83	55%	0.546	44%	0.444	S	S	.	.			trans	-113.5	114.8	173.2	-57.4	0	0	0	0	109.4	R770 D817	R770-T819 PolarHBondContact NH2-O 3.07Å; D817-T819 PolarHBondContact O-N 3.33Å; D817-T819 VanDerWaalsContact O-N 3.14Å; D817-T819 PolarHBondContact O-OG1 3.39Å
820	L	83.8	Confident	84.7	Confident	59 Å²	59	91.4 Å²	91.4	31%	0.309	48%	0.476	S	S	.	.			trans	-54.6	138.7	177.6	-177.1	61.1	0	0	0	111.6	E774 L778 Y818	E774-L820 HydrophobicContact CB-CD1 4.26Å; E774-L820 HydrophobicContact CG-CD1 4.26Å; E774-L820 HydrophobicContact CG-CD2 4.36Å; L778-L820 HydrophobicContact CD1-CD2 3.95Å; L778-L820 HydrophobicContact CD1-CG 4.47Å; Y818-L820 HydrophobicContact CE1-CB 3.99Å; Y818-L820 HydrophobicContact CE1-CD1 4.29Å
821	L	88	Confident	82.8	Confident	4 Å²	4	96.1 Å²	96.1	2%	0.021	50%	0.495	C	S	.	.			trans	-78	129.7	175.9	-66.9	178.1	0	0	0	110.6	V693 L694 L697 R770 F771 T775	V693-L821 HydrophobicContact CG1-CD2 4.3Å; L694-L821 HydrophobicContact CD1-CD1 4.35Å; L697-L821 HydrophobicContact CD1-CD1 3.82Å; L697-L821 HydrophobicContact CD1-CD2 3.62Å; L697-L821 HydrophobicContact CD1-CG 4.39Å; R770-L821 HydrophobicContact CB-CD1 3.81Å; R770-L821 HydrophobicContact CB-CG 4.07Å; F771-L821 HydrophobicContact CB-CD1 4.3Å; T775-L821 HydrophobicContact CG2-CB 3.73Å; T775-L821 HydrophobicContact CG2-CD1 4.47Å
822	T	86.8	Confident	80.9	Confident	49 Å²	49	99.1 Å²	99.1	30%	0.301	51%	0.513	S	S	.	.			trans	-130.6	144.9	171.5	71	0	0	0	0	109.5	T824 T825	T822-T824 PolarHBondContact O-N 3.47Å; T822-T824 VanDerWaalsContact O-N 3.16Å; T822-T824 PolarHBondContact OG1-OG1 3.01Å; T822-T825 PolarHBondContact O-N 2.74Å; T822-T825 VanDerWaalsContact O-N 3.17Å; T822-T825 PolarHBondContact OG1-N 3.48Å; T822-T825 PolarHBondContact OG1-OG1 3Å
823	A	83.9	Confident	78.2	Confident	47 Å²	47	103.1 Å²	103.1	39%	0.388	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.7	-179.3	0	0	0	0	0	113.2	S692 L694 L779	S692-A823 PolarHBondContact OG-O 3.25Å; L694-A823 HydrophobicContact CD2-CB 4.26Å; L779-A823 HydrophobicContact CD2-CB 3.99Å
824	T	85	Confident	76	Confident	120 Å²	120	109.8 Å²	109.8	74%	0.736	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-13.7	-177.5	53.2	0	0	0	0	114.4	T822 K826	T822-T824 PolarHBondContact O-N 3.47Å; T822-T824 VanDerWaalsContact O-N 3.16Å; T822-T824 PolarHBondContact OG1-OG1 3.01Å; T824-K826 PolarHBondContact O-N 2.88Å; T824-K826 VanDerWaalsContact O-N 3.1Å
825	T	89.6	Confident	74	Confident	58 Å²	58	105.5 Å²	105.5	36%	0.356	56%	0.559	S	S	.	*			trans	-65.4	111.5	178	-65.8	0	0	0	0	110.3	V693 T822	V693-T825 HydrophobicContact CB-CG2 4.12Å; V693-T825 HydrophobicContact CG2-CG2 3.78Å; V693-T825 PolarHBondContact N-O 2.83Å; T822-T825 PolarHBondContact O-N 2.74Å; T822-T825 VanDerWaalsContact O-N 3.17Å; T822-T825 PolarHBondContact OG1-N 3.48Å; T822-T825 PolarHBondContact OG1-OG1 3Å
826	K	90.1	Very high	71.4	Confident	167 Å²	167	108.9 Å²	108.9	73%	0.726	58%	0.578	S	S	*	*	B	Isolated β-bridge	trans	-84.5	143	178.6	-64.1	-174.4	-178.9	-179.2	0	112.3	G691 T824 K828	G691-K826 CarbonylContact O-C 3.55Å; G691-K826 VanDerWaalsContact O-CA 3.23Å; G691-K826 WeakPolarHBondContact O-CA 3.36Å; T824-K826 PolarHBondContact O-N 2.88Å; T824-K826 VanDerWaalsContact O-N 3.1Å; K826-K828 PolarHBondContact O-N 2.88Å
827	V	87.1	Confident	69.5	Low	26 Å²	26	113.6 Å²	113.6	16%	0.158	59%	0.585	C	S	.	*			trans	-62.1	133.2	170.5	177.3	0	0	0	0	108.6	V682 L686 G691 V693 H696 P829	V682-V827 HydrophobicContact CG1-CG1 4.13Å; L686-V827 HydrophobicContact CD1-CG1 4.45Å; L686-V827 HydrophobicContact CD2-CB 4.22Å; L686-V827 HydrophobicContact CD2-CG1 4.35Å; G691-V827 PolarHBondContact O-N 2.8Å; V693-V827 HydrophobicContact CB-CG2 4.45Å; V693-V827 HydrophobicContact CG2-CB 4.43Å; V693-V827 HydrophobicContact CG2-CG2 3.75Å; H696-V827 HydrophobicContact CB-CG2 4.44Å; V827-P829 WeakPolarHBondContact O-CD 3.46Å
828	K	79.2	Confident	67.2	Low	190 Å²	190	109.8 Å²	109.8	83%	0.826	58%	0.581	S	S	*	*			trans	-90.8	112.1	173.8	-69.2	174.3	-177.9	171.3	0	108	K826 R830	K826-K828 PolarHBondContact O-N 2.88Å; K828-R830 PolarHBondContact O-N 3.24Å
829	P	67.8	Low	65.1	Low	85 Å²	85	116.1 Å²	116.1	55%	0.552	62%	0.615	S	S	*	*			trans	-61	137.2	176	25	-33.4	0	0	0	110	L686 V827 K831	L686-P829 HydrophobicContact CD1-CB 4.15Å; V827-P829 WeakPolarHBondContact O-CD 3.46Å; P829-K831 PolarHBondContact O-N 3.03Å
830	R	63	Low	63	Low	186 Å²	186	123.7 Å²	123.7	70%	0.702	63%	0.633	S	S	*	*			trans	-66.5	107.6	177.6	-69.4	-174.8	-177.8	-115.6	5.3	108.9	K828 L832 E849	K828-R830 PolarHBondContact O-N 3.24Å; R830-L832 PolarHBondContact O-N 2.91Å; R830-E849 IonicContact CZ-OE1 2.76Å; R830-E849 IonicContact CZ-OE2 2.7Å; R830-E849 VanDerWaalsContact CZ-OE2 3.28Å; R830-E849 IonicContact NE-OE1 2.77Å; R830-E849 IonicContact NE-OE2 4Å; R830-E849 PolarHBondContact NE-OE2 3.09Å; R830-E849 IonicContact NH2-OE1 3.32Å; R830-E849 PolarHBondContact NH2-OE1 3.42Å; R830-E849 IonicContact NH2-OE2 3.93Å; R830-E849 PolarHBondContact NH2-OE2 3.41Å; R830-E849 VanDerWaalsContact NH2-OE2 3.15Å
831	K	52	Low	61.1	Low	199 Å²	199	131.2 Å²	131.2	87%	0.865	66%	0.663	S	S	*	*			trans	-65	110.3	168.1	-75.4	-169.8	175.9	-174.3	0	108.7	P829 S833	P829-K831 PolarHBondContact O-N 3.03Å; K831-S833 PolarHBondContact O-N 2.89Å; K831-S833 VanDerWaalsContact O-N 3.12Å
832	L	51.1	Low	58.6	Low	149 Å²	149	140.4 Å²	140.4	78%	0.78	70%	0.703	S	S	*	*			trans	-54.5	117.8	168.3	-66.8	174.9	0	0	0	108.7	R830 F834	R830-L832 PolarHBondContact O-N 2.91Å; L832-F834 PolarHBondContact O-N 3.04Å
833	S	32.8	Very low	56.4	Low	108 Å²	108	146.8 Å²	146.8	76%	0.755	73%	0.727	S	S	*	*			trans	-75.2	98.7	-176.3	-173.3	0	0	0	0	109.8	K831 G835	K831-S833 PolarHBondContact O-N 2.89Å; K831-S833 VanDerWaalsContact O-N 3.12Å; S833-G835 PolarHBondContact O-N 2.85Å
834	F	44	Very low	53.8	Low	212 Å²	212	152.9 Å²	152.9	93%	0.93	75%	0.747	S	S	*	*			trans	-66.9	74.3	170.1	-87.5	-92.1	0	0	0	110.5	L832	L832-F834 PolarHBondContact O-N 3.04Å
835	G	45.8	Very low	51.4	Low	45 Å²	45	154 Å²	154	46%	0.464	74%	0.744	S	S	.	*			trans	171.7	84	-176.7	0	0	0	0	0	113.5	S833	S833-G835 PolarHBondContact O-N 2.85Å
836	N	35.4	Very low	49	Very low	166 Å²	166	159.7 Å²	159.7	89%	0.888	77%	0.767	S	S	*	*			trans	-170.6	100.3	139.6	-101	-9.5	0	0	0	110.5	G838	N836-G838 PolarHBondContact O-N 2.91Å
837	F	41.4	Very low	46.9	Very low	226 Å²	226	158.9 Å²	158.9	99%	0.991	77%	0.77	S	S	*	*			trans	-74.1	87.9	169	-89.6	-94.1	0	0	0	109.6
838	G	36.5	Very low	45.6	Very low	68 Å²	68	161.5 Å²	161.5	70%	0.701	78%	0.781	S	S	*	*			trans	-126.3	87.8	-177.8	0	0	0	0	0	112.9	N836 R840	N836-G838 PolarHBondContact O-N 2.91Å; G838-R840 PolarHBondContact O-N 2.9Å
839	M	40	Very low	45.8	Very low	186 Å²	186	156.7 Å²	156.7	92%	0.916	76%	0.761	S	S	*	*			trans	-76.3	99.9	-178.6	-84.2	-80.9	-80.6	0	0	113.1
840	R	39.7	Very low	46.9	Very low	248 Å²	248	155.7 Å²	155.7	94%	0.936	75%	0.747	S	S	*	*			trans	-172.2	149.3	137.5	-106.2	160.7	-176.8	-173.7	0.1	113.8	G838 K842	G838-R840 PolarHBondContact O-N 2.9Å; R840-K842 PolarHBondContact O-N 3.43Å
841	K	44.1	Very low	48.3	Very low	216 Å²	216	147.3 Å²	147.3	94%	0.939	72%	0.716	S	S	*	*			trans	-61.1	126	-176.1	-69	178.6	174.8	-179.6	0	113.4
842	K	34.8	Very low	50.2	Low	197 Å²	197	137.9 Å²	137.9	86%	0.857	68%	0.676	S	S	*	*				-123.4	147.2	118.3	-168.3	173.6	-179.4	-176.7	0	106.5	R840 Q844	R840-K842 PolarHBondContact O-N 3.43Å; K842-Q844 VanDerWaalsContact C-N 3.29Å; K842-Q844 PolarHBondContact O-N 3.16Å
843	K	40.6	Very low	51.9	Low	183 Å²	183	132.7 Å²	132.7	80%	0.796	65%	0.651	S	S	*	*			trans	-69.1	94.9	169	-174.7	-167.7	177.5	-155.2	0	106	E845	K843-E845 PolarHBondContact O-N 3.41Å
844	Q	30.6	Very low	54.3	Low	175 Å²	175	130.9 Å²	130.9	82%	0.818	63%	0.631	S	S	*	*			trans	-72.1	108.9	168.6	-178.5	165.7	-10.8	0	0	106	K842 E846	K842-Q844 VanDerWaalsContact C-N 3.29Å; K842-Q844 PolarHBondContact O-N 3.16Å; Q844-E846 PolarHBondContact O-N 2.76Å
845	E	34.3	Very low	55.9	Low	145 Å²	145	127.3 Å²	127.3	68%	0.678	62%	0.622	S	S	*	*			trans	-53.8	134.1	166.8	-153.6	129.7	-113.3	0	0	108.1	K843 N847	K843-E845 PolarHBondContact O-N 3.41Å; E845-N847 VanDerWaalsContact C-N 3.31Å; E845-N847 PolarHBondContact O-N 3.24Å
846	E	39.4	Very low	57.2	Low	176 Å²	176	126.4 Å²	126.4	82%	0.822	61%	0.607	S	S	*	*			trans	-71.4	93	-177.8	-171.8	155.8	-155.4	0	0	107.7	Q844 E848	Q844-E846 PolarHBondContact O-N 2.76Å; E846-E848 PolarHBondContact O-N 3.3Å
847	N	44.8	Very low	58.6	Low	151 Å²	151	125.1 Å²	125.1	81%	0.807	60%	0.596	S	S	*	*			trans	-79	74.1	-169.4	-160.8	3.4	0	0	0	109.1	E845 E849	E845-N847 VanDerWaalsContact C-N 3.31Å; E845-N847 PolarHBondContact O-N 3.24Å; N847-E849 PolarHBondContact O-N 2.95Å
848	E	61.2	Low	59.8	Low	81 Å²	81	117.3 Å²	117.3	38%	0.379	56%	0.563	S	S	.	*			trans	-52.8	120.6	179.5	-69.1	-161.8	170.6	0	0	110	K626 T681 E846 Y850	K626-E848 IonicContact NZ-OE2 3.27Å; T681-E848 HydrophobicContact CG2-CB 4.23Å; E846-E848 PolarHBondContact O-N 3.3Å; E848-Y850 HydrophobicContact CB-CD1 4.48Å; E848-Y850 HydrophobicContact CB-CE1 4.05Å; E848-Y850 HydrophobicContact CB-CE2 4.28Å; E848-Y850 PolarHBondContact O-N 3.41Å; E848-Y850 VanDerWaalsContact OE2-CE1 3.31Å; E848-Y850 WeakPolarHBondContact OE2-CE1 3.37Å
849	E	82.4	Confident	61.4	Low	89 Å²	89	115.3 Å²	115.3	42%	0.416	54%	0.538	S	S	.	.			trans	-76.8	80.1	179	-169.6	169.4	-149.6	0	0	109.8	T681 V682 R830 N847	T681-E849 WeakPolarHBondContact CA-O 3.43Å; V682-E849 HydrophobicContact CG2-CG 4.01Å; V682-E849 PolarHBondContact N-O 3.36Å; V682-E849 VanDerWaalsContact N-O 3.15Å; R830-E849 IonicContact CZ-OE1 2.76Å; R830-E849 IonicContact CZ-OE2 2.7Å; R830-E849 VanDerWaalsContact CZ-OE2 3.28Å; R830-E849 IonicContact NE-OE1 2.77Å; R830-E849 IonicContact NE-OE2 4Å; R830-E849 PolarHBondContact NE-OE2 3.09Å; R830-E849 IonicContact NH2-OE1 3.32Å; R830-E849 PolarHBondContact NH2-OE1 3.42Å; R830-E849 IonicContact NH2-OE2 3.93Å; R830-E849 PolarHBondContact NH2-OE2 3.41Å; R830-E849 VanDerWaalsContact NH2-OE2 3.15Å; N847-E849 PolarHBondContact O-N 2.95Å
850	Y	90.9	Very high	62.4	Low	63 Å²	63	113.1 Å²	113.1	25%	0.247	52%	0.523	C	S	.	.	B	Isolated β-bridge	trans	-60.9	135.7	173.2	-60.9	-60	0	0	0	110.8	Y679 M680 T681 E848 C852 P853 M854	Y679-Y850 HydrophobicContact CD1-CE1 4.07Å; M680-Y850 CarbonylContact O-C 3.07Å; M680-Y850 WeakPolarHBondContact O-CA 3.43Å; T681-Y850 HydrophobicContact CG2-CD1 4.19Å; T681-Y850 HydrophobicContact CG2-CE1 4.48Å; E848-Y850 HydrophobicContact CB-CD1 4.48Å; E848-Y850 HydrophobicContact CB-CE1 4.05Å; E848-Y850 HydrophobicContact CB-CE2 4.28Å; E848-Y850 PolarHBondContact O-N 3.41Å; E848-Y850 VanDerWaalsContact OE2-CE1 3.31Å; E848-Y850 WeakPolarHBondContact OE2-CE1 3.37Å; Y850-C852 VanDerWaalsContact C-N 3.26Å; Y850-C852 PolarHBondContact O-N 3.31Å; Y850-P853 WeakPolarHBondContact O-CD 3.36Å; Y850-M854 HydrophobicContact CD1-CE 4.39Å; Y850-M854 HydrophobicContact CD2-CE 4.07Å; Y850-M854 HydrophobicContact CD2-CG 4.38Å; Y850-M854 HydrophobicContact CE1-CE 4.35Å; Y850-M854 HydrophobicContact CE2-CE 4.02Å; Y850-M854 HydrophobicContact CE2-CG 4.47Å; Y850-M854 HydrophobicContact CG-CE 4.25Å
851	V	91.8	Very high	63.5	Low	10 Å²	10	101.6 Å²	101.6	6%	0.061	48%	0.482	C	S	.	.	S	Bend	trans	-58.1	-41.4	177.9	174.9	0	0	0	0	110.7	M680 T681 V682 L685 I699 K700	M680-V851 HydrophobicContact CB-CG2 4.39Å; M680-V851 HydrophobicContact CG-CB 4.45Å; M680-V851 HydrophobicContact CG-CG2 3.89Å; M680-V851 WeakPolarHBondContact O-CG2 3.16Å; M680-V851 PolarHBondContact O-N 3.01Å; T681-V851 VanDerWaalsContact C-CG2 3.44Å; T681-V851 WeakPolarHBondContact O-CG2 3.44Å; V682-V851 HydrophobicContact CG2-CG2 4.49Å; L685-V851 HydrophobicContact CD1-CB 4.41Å; L685-V851 HydrophobicContact CD1-CG1 3.96Å; L685-V851 HydrophobicContact CD1-CG2 3.58Å; L685-V851 HydrophobicContact CG-CG2 3.96Å; I699-V851 HydrophobicContact CG2-CG1 4.35Å; K700-V851 HydrophobicContact CB-CG1 3.84Å; K700-V851 WeakPolarHBondContact CD-O 3.26Å; K700-V851 WeakPolarHBondContact CE-O 3.4Å; K700-V851 WeakPolarHBondContact CG-O 3.38Å
852	C	91.7	Very high	64.3	Low	2 Å²	2	101.9 Å²	101.9	1%	0.014	48%	0.477	C	S	.	.	S	Bend	trans	-116.5	93.3	169	-172.3	0	0	0	0	109.4	K700 I703 R707 Y850	K700-C852 HydrophobicContact CG-CB 4.23Å; I703-C852 HydrophobicContact CB-CB 4.01Å; I703-C852 HydrophobicContact CG2-CB 3.74Å; R707-C852 PolarHBondContact NH2-O 3.19Å; Y850-C852 VanDerWaalsContact C-N 3.26Å; Y850-C852 PolarHBondContact O-N 3.31Å
853	P	87.4	Confident	66	Low	39 Å²	39	94.3 Å²	94.3	25%	0.253	45%	0.449	S	S	.	.			trans	-51.1	149.5	179.4	-26.1	33.7	0	0	0	112.4	R707 Y850 D855 V856	R707-P853 PolarHBondContact NH1-O 2.69Å; Y850-P853 WeakPolarHBondContact O-CD 3.36Å; P853-D855 VanDerWaalsContact C-N 3.27Å; P853-D855 WeakPolarHBondContact CB-OD1 3.31Å; P853-D855 PolarHBondContact O-N 3.17Å; P853-V856 HydrophobicContact CB-CG2 4Å; P853-V856 HydrophobicContact CG-CG2 4.22Å; P853-V856 VanDerWaalsContact O-CG2 3.32Å; P853-V856 WeakPolarHBondContact O-CG2 3.44Å; P853-V856 PolarHBondContact O-N 3.26Å
854	M	84.1	Confident	67.4	Low	70 Å²	70	86.9 Å²	86.9	35%	0.345	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-30.5	-174.1	-57.3	-50.8	-178.2	0	0	111.9	H678 Y679 R707 Y850	H678-M854 WeakPolarHBondContact O-CE 3.31Å; Y679-M854 HydrophobicContact CD1-CE 3.46Å; Y679-M854 VanDerWaalsContact CD1-CE 3.46Å; Y679-M854 HydrophobicContact CE1-CE 3.68Å; Y679-M854 HydrophobicContact CG-CE 4.34Å; R707-M854 PolarHBondContact NH1-O 2.69Å; R707-M854 PolarHBondContact NH2-SD 2.87Å; Y850-M854 HydrophobicContact CD1-CE 4.39Å; Y850-M854 HydrophobicContact CD2-CE 4.07Å; Y850-M854 HydrophobicContact CD2-CG 4.38Å; Y850-M854 HydrophobicContact CE1-CE 4.35Å; Y850-M854 HydrophobicContact CE2-CE 4.02Å; Y850-M854 HydrophobicContact CE2-CG 4.47Å; Y850-M854 HydrophobicContact CG-CE 4.25Å
855	D	76.3	Confident	68.8	Low	137 Å²	137	82.5 Å²	82.5	73%	0.733	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	10.5	-178.4	63.1	-42.2	0	0	0	114.8	P853 E857	P853-D855 VanDerWaalsContact C-N 3.27Å; P853-D855 WeakPolarHBondContact CB-OD1 3.31Å; P853-D855 PolarHBondContact O-N 3.17Å; D855-E857 PolarHBondContact O-N 2.81Å
856	V	74.3	Confident	69.7	Low	26 Å²	26	83.1 Å²	83.1	16%	0.158	40%	0.397	C	S	.	.			trans	-57.6	115.7	176	170.3	0	0	0	0	110	P853 M858	P853-V856 HydrophobicContact CB-CG2 4Å; P853-V856 HydrophobicContact CG-CG2 4.22Å; P853-V856 VanDerWaalsContact O-CG2 3.32Å; P853-V856 WeakPolarHBondContact O-CG2 3.44Å; P853-V856 PolarHBondContact O-N 3.26Å; V856-M858 PolarHBondContact O-N 3.03Å
857	E	63.9	Low	70	Confident	140 Å²	140	77.2 Å²	77.2	65%	0.654	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-52.4	129.2	176.1	-74	-165.1	-150.6	0	0	111.2	D855 K860	D855-E857 PolarHBondContact O-N 2.81Å; E857-K860 VanDerWaalsContact OE2-CE 3.32Å; E857-K860 WeakPolarHBondContact OE2-CE 3.32Å; E857-K860 IonicContact OE2-NZ 2.71Å; E857-K860 PolarHBondContact OE2-NZ 3.13Å
858	M	68	Low	69.9	Low	61 Å²	61	75.3 Å²	75.3	30%	0.3	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-75.2	146.5	176.9	-59.3	-56.5	165.5	0	0	110.3	L708 V856 K860	L708-M858 HydrophobicContact CD2-CG 4.43Å; L708-M858 HydrophobicContact CD2-SD 3.58Å; L708-M858 VanDerWaalsContact CD2-SD 3.58Å; L708-M858 HydrophobicContact CG-SD 4.2Å; V856-M858 PolarHBondContact O-N 3.03Å; M858-K860 PolarHBondContact O-N 3.5Å
859	P	69.4	Low	69	Low	27 Å²	27	76.8 Å²	76.8	18%	0.175	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.8	177.9	-22.9	33.8	0	0	0	111.3	L767 G861 F864	L767-P859 HydrophobicContact CD2-CG 3.68Å; P859-G861 VanDerWaalsContact C-N 3.31Å; P859-F864 HydrophobicContact CB-CB 4.11Å; P859-F864 HydrophobicContact CB-CD1 4.22Å; P859-F864 HydrophobicContact CB-CD2 3.57Å; P859-F864 HydrophobicContact CB-CE2 3.97Å; P859-F864 HydrophobicContact CB-CG 3.71Å; P859-F864 HydrophobicContact CB-CZ 4.44Å; P859-F864 HydrophobicContact CG-CD1 3.99Å; P859-F864 HydrophobicContact CG-CD2 4.18Å; P859-F864 HydrophobicContact CG-CE1 4.14Å; P859-F864 HydrophobicContact CG-CE2 4.32Å; P859-F864 HydrophobicContact CG-CG 4.01Å; P859-F864 HydrophobicContact CG-CZ 4.3Å
860	K	60.6	Low	67.2	Low	139 Å²	139	77.8 Å²	77.8	60%	0.604	38%	0.383	S	S	*	.			trans	-84.9	-8.6	-176.3	-67.6	165.1	-170.3	160.9	0	112.3	E857 M858 Q865	E857-K860 VanDerWaalsContact OE2-CE 3.32Å; E857-K860 WeakPolarHBondContact OE2-CE 3.32Å; E857-K860 IonicContact OE2-NZ 2.71Å; E857-K860 PolarHBondContact OE2-NZ 3.13Å; M858-K860 PolarHBondContact O-N 3.5Å; K860-Q865 PolarHBondContact O-NE2 2.81Å; K860-Q865 PolarHBondContact O-OE1 3.41Å
861	G	63.3	Low	64.9	Low	7 Å²	7	79.8 Å²	79.8	7%	0.072	40%	0.395	C	S	.	.	S	Bend	trans	-54	134.1	171.6	0	0	0	0	0	114.4	E804 P859 S863 F864 Q865	E804-G861 PolarHBondContact OE1-N 3.05Å; E804-G861 WeakPolarHBondContact OE2-CA 3.42Å; P859-G861 VanDerWaalsContact C-N 3.31Å; G861-S863 PolarHBondContact O-N 3.03Å; G861-F864 PolarHBondContact O-N 3.29Å; G861-Q865 PolarHBondContact O-N 3.31Å
862	R	61.6	Low	62.7	Low	221 Å²	221	84.4 Å²	84.4	83%	0.834	42%	0.418	S	S	*	.	H	α-helix	trans	-57.1	-21.9	-176	-154.8	178.3	-171.3	-168.5	2.5	114.6
863	S	69.2	Low	60.2	Low	39 Å²	39	89.8 Å²	89.8	27%	0.273	44%	0.439	S	S	.	.	H	α-helix	trans	-73.4	-29	174.4	49.3	0	0	0	0	113.6	A729 G861	A729-S863 WeakPolarHBondContact CB-O 3.16Å; G861-S863 PolarHBondContact O-N 3.03Å
864	F	70.6	Confident	57.9	Low	27 Å²	27	94.9 Å²	94.9	12%	0.118	46%	0.459	C	S	.	.	H	α-helix	trans	-86.8	-34.4	175.9	-67.3	-89	0	0	0	111.7	L708 P728 A729 V766 L767 P859 G861 K866 G867	L708-F864 HydrophobicContact CD1-CD1 4.33Å; L708-F864 HydrophobicContact CD1-CE1 4.36Å; P728-F864 HydrophobicContact CB-CE2 4.16Å; A729-F864 HydrophobicContact CB-CD1 3.85Å; A729-F864 HydrophobicContact CB-CD2 4.33Å; A729-F864 HydrophobicContact CB-CE1 3.92Å; A729-F864 HydrophobicContact CB-CE2 4.39Å; A729-F864 HydrophobicContact CB-CG 4.08Å; A729-F864 HydrophobicContact CB-CZ 4.19Å; V766-F864 HydrophobicContact CG1-CZ 4.1Å; L767-F864 HydrophobicContact CD2-CE1 4.07Å; L767-F864 HydrophobicContact CD2-CZ 3.98Å; P859-F864 HydrophobicContact CB-CB 4.11Å; P859-F864 HydrophobicContact CB-CD1 4.22Å; P859-F864 HydrophobicContact CB-CD2 3.57Å; P859-F864 HydrophobicContact CB-CE2 3.97Å; P859-F864 HydrophobicContact CB-CG 3.71Å; P859-F864 HydrophobicContact CB-CZ 4.44Å; P859-F864 HydrophobicContact CG-CD1 3.99Å; P859-F864 HydrophobicContact CG-CD2 4.18Å; P859-F864 HydrophobicContact CG-CE1 4.14Å; P859-F864 HydrophobicContact CG-CE2 4.32Å; P859-F864 HydrophobicContact CG-CG 4.01Å; P859-F864 HydrophobicContact CG-CZ 4.3Å; G861-F864 PolarHBondContact O-N 3.29Å; F864-K866 VanDerWaalsContact C-N 3.28Å; F864-K866 PolarHBondContact O-N 3.14Å; F864-G867 PolarHBondContact O-N 2.9Å
865	Q	60.4	Low	55.9	Low	83 Å²	83	99.2 Å²	99.2	39%	0.388	48%	0.484	S	S	.	.	H	α-helix	trans	-60.1	-34.2	179.2	-67.7	178.6	-47.1	0	0	113.4	K860 G861 G867 F868 E869	K860-Q865 PolarHBondContact O-NE2 2.81Å; K860-Q865 PolarHBondContact O-OE1 3.41Å; G861-Q865 PolarHBondContact O-N 3.31Å; Q865-G867 PolarHBondContact O-N 3.29Å; Q865-G867 VanDerWaalsContact O-N 3.13Å; Q865-F868 WeakPolarHBondContact O-CA 3.45Å; Q865-F868 WeakPolarHBondContact O-CB 3.43Å; Q865-F868 PolarHBondContact O-N 3.21Å; Q865-E869 PolarHBondContact O-N 3.44Å
866	K	53.2	Low	54.5	Low	157 Å²	157	96.8 Å²	96.8	68%	0.683	47%	0.471	S	S	*	.	H	α-helix	trans	-60.1	-25.8	-178.2	-166.2	176.5	-177.7	-175.8	0	114.2	F864	F864-K866 VanDerWaalsContact C-N 3.28Å; F864-K866 PolarHBondContact O-N 3.14Å
867	G	45.8	Very low	53.1	Low	53 Å²	53	99.6 Å²	99.6	55%	0.546	48%	0.484	S	S	.	.	H	α-helix	trans	-83.2	-13.8	173.5	0	0	0	0	0	114.3	F864 Q865	F864-G867 PolarHBondContact O-N 2.9Å; Q865-G867 PolarHBondContact O-N 3.29Å; Q865-G867 VanDerWaalsContact O-N 3.13Å
868	F	42.3	Very low	52.3	Low	111 Å²	111	99.8 Å²	99.8	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-101.8	-36.6	-175.6	-138.9	-89.3	0	0	0	111.9	Q865 L870 Q871 I872	Q865-F868 WeakPolarHBondContact O-CA 3.45Å; Q865-F868 WeakPolarHBondContact O-CB 3.43Å; Q865-F868 PolarHBondContact O-N 3.21Å; F868-L870 VanDerWaalsContact C-N 3.34Å; F868-L870 PolarHBondContact O-N 3.12Å; F868-Q871 PolarHBondContact O-N 3.09Å; F868-I872 HydrophobicContact CD1-CD1 3.97Å; F868-I872 HydrophobicContact CE1-CD1 4.36Å; F868-I872 PolarHBondContact O-N 2.97Å
869	E	41	Very low	51.3	Low	112 Å²	112	106 Å²	106	52%	0.523	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-41.5	174.4	-70.5	175.9	132.2	0	0	111.6	Q865 Q871 I872 Y873	Q865-E869 PolarHBondContact O-N 3.44Å; E869-Q871 PolarHBondContact O-N 3.05Å; E869-Q871 VanDerWaalsContact O-N 3.11Å; E869-I872 PolarHBondContact O-N 3.5Å; E869-I872 VanDerWaalsContact O-N 3.08Å; E869-Y873 WeakPolarHBondContact O-CD2 3.47Å; E869-Y873 PolarHBondContact O-N 2.84Å; E869-Y873 VanDerWaalsContact O-N 3.15Å
870	L	44.7	Very low	50.3	Low	109 Å²	109	108.8 Å²	108.8	57%	0.571	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.6	177.2	-108.5	162.4	0	0	0	113.4	F868 E874	F868-L870 VanDerWaalsContact C-N 3.34Å; F868-L870 PolarHBondContact O-N 3.12Å; L870-E874 WeakPolarHBondContact O-CB 3.19Å; L870-E874 PolarHBondContact O-N 2.94Å
871	Q	44.5	Very low	49.5	Very low	106 Å²	106	109.4 Å²	109.4	50%	0.495	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-5.2	-176.5	-155.5	169.7	22	0	0	113.8	N710 F868 E869	N710-Q871 VanDerWaalsContact ND2-CD 3.34Å; N710-Q871 PolarHBondContact ND2-NE2 2.91Å; N710-Q871 PolarHBondContact ND2-OE1 3.33Å; F868-Q871 PolarHBondContact O-N 3.09Å; E869-Q871 PolarHBondContact O-N 3.05Å; E869-Q871 VanDerWaalsContact O-N 3.11Å
872	I	44.2	Very low	48.8	Very low	106 Å²	106	117.1 Å²	117.1	54%	0.544	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-27.7	170.1	-68.3	173	0	0	0	110.6	F868 E869	F868-I872 HydrophobicContact CD1-CD1 3.97Å; F868-I872 HydrophobicContact CE1-CD1 4.36Å; F868-I872 PolarHBondContact O-N 2.97Å; E869-I872 PolarHBondContact O-N 3.5Å; E869-I872 VanDerWaalsContact O-N 3.08Å
873	Y	40.3	Very low	48.1	Very low	116 Å²	116	112 Å²	112	46%	0.455	55%	0.549	S	S	.	.	S	Bend	trans	-107.7	1.8	-175.6	-69	-72.3	0	0	0	115.2	E869 D875 D876 L877	E869-Y873 WeakPolarHBondContact O-CD2 3.47Å; E869-Y873 PolarHBondContact O-N 2.84Å; E869-Y873 VanDerWaalsContact O-N 3.15Å; Y873-D875 PolarHBondContact O-N 3.39Å; Y873-D876 HydrophobicContact CD1-CB 4.45Å; Y873-D876 PolarHBondContact O-N 2.91Å; Y873-L877 PolarHBondContact O-N 3.43Å
874	E	39.3	Very low	47.1	Very low	145 Å²	145	117.4 Å²	117.4	68%	0.678	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-27.2	179.2	-140.6	167.3	-160.3	0	0	112.8	L870	L870-E874 WeakPolarHBondContact O-CB 3.19Å; L870-E874 PolarHBondContact O-N 2.94Å
875	D	40.9	Very low	46	Very low	162 Å²	162	123.2 Å²	123.2	87%	0.866	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-9.1	177.5	-143.7	28.9	0	0	0	113.2	Y873	Y873-D875 PolarHBondContact O-N 3.39Å
876	D	46.6	Very low	45.9	Very low	86 Å²	86	121.8 Å²	121.8	46%	0.46	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.1	-18.6	-178.2	-101.5	-34.4	0	0	0	113.5	Y873 D878 R879 L880	Y873-D876 HydrophobicContact CD1-CB 4.45Å; Y873-D876 PolarHBondContact O-N 2.91Å; D876-D878 VanDerWaalsContact C-N 3.35Å; D876-D878 PolarHBondContact O-N 3.42Å; D876-R879 WeakPolarHBondContact O-CB 3.34Å; D876-R879 PolarHBondContact O-N 3.03Å; D876-L880 PolarHBondContact O-N 3.43Å
877	L	45.3	Very low	46.3	Very low	84 Å²	84	119.1 Å²	119.1	44%	0.44	59%	0.592	S	S	.	*	H	α-helix	trans	-61.3	-39.7	-174	-128	77.5	0	0	0	113	Y873 R879 L880 E881	Y873-L877 PolarHBondContact O-N 3.43Å; L877-R879 PolarHBondContact O-N 3.46Å; L877-L880 PolarHBondContact O-N 2.84Å; L877-E881 PolarHBondContact O-N 3.28Å
878	D	46.6	Very low	47.2	Very low	145 Å²	145	119 Å²	119	78%	0.775	59%	0.59	S	S	*	*	H	α-helix	trans	-56.1	-16.3	174.3	-96	5.8	0	0	0	113.4	D876	D876-D878 VanDerWaalsContact C-N 3.35Å; D876-D878 PolarHBondContact O-N 3.42Å
879	R	48	Very low	48.3	Very low	191 Å²	191	117.4 Å²	117.4	72%	0.721	59%	0.59	S	S	*	*	H	α-helix	trans	-106.4	-18.7	176.5	-55	-172.9	69.7	-165.8	-0.2	113.6	D876 L877	D876-R879 WeakPolarHBondContact O-CB 3.34Å; D876-R879 PolarHBondContact O-N 3.03Å; L877-R879 PolarHBondContact O-N 3.46Å
880	L	48.5	Very low	49.5	Very low	86 Å²	86	116.4 Å²	116.4	45%	0.45	59%	0.591	S	S	.	*	H	α-helix	trans	-99.9	-32	-174.7	-153.5	71.7	0	0	0	113.1	D876 L877 Q882 M883 E884	D876-L880 PolarHBondContact O-N 3.43Å; L877-L880 PolarHBondContact O-N 2.84Å; L880-Q882 PolarHBondContact O-N 2.86Å; L880-M883 WeakPolarHBondContact O-CA 3.14Å; L880-M883 WeakPolarHBondContact O-CB 3.31Å; L880-M883 PolarHBondContact O-N 2.94Å; L880-E884 PolarHBondContact O-N 3.4Å
881	E	42.3	Very low	50.8	Low	151 Å²	151	119.5 Å²	119.5	71%	0.706	60%	0.595	S	S	*	*	H	α-helix	trans	-65.3	-27.4	176.5	-162.8	170.7	-134	0	0	111.7	L877 M883	L877-E881 PolarHBondContact O-N 3.28Å; E881-M883 PolarHBondContact O-N 3.04Å
882	Q	49.3	Very low	52	Low	170 Å²	170	121.2 Å²	121.2	79%	0.794	60%	0.603	S	S	*	*	H	α-helix	trans	-72.8	-5.8	169.5	-66	-169	3.4	0	0	114.5	L880	L880-Q882 PolarHBondContact O-N 2.86Å
883	M	46.7	Very low	53.2	Low	114 Å²	114	121.3 Å²	121.3	56%	0.562	60%	0.603	S	S	*	*	H	α-helix	trans	-106	-25.8	-178.3	-93.5	-179.4	51.9	0	0	114.5	L880 E881 D885 S886 E887	L880-M883 WeakPolarHBondContact O-CA 3.14Å; L880-M883 WeakPolarHBondContact O-CB 3.31Å; L880-M883 PolarHBondContact O-N 2.94Å; E881-M883 PolarHBondContact O-N 3.04Å; M883-D885 PolarHBondContact O-N 2.7Å; M883-S886 WeakPolarHBondContact O-CB 3.34Å; M883-S886 PolarHBondContact O-N 2.76Å; M883-S886 PolarHBondContact O-OG 2.98Å; M883-E887 PolarHBondContact O-N 2.77Å
884	E	48.6	Very low	54.8	Low	151 Å²	151	117.5 Å²	117.5	71%	0.706	60%	0.6	S	S	*	*	H	α-helix	trans	-65.2	-39.2	-177.1	-65	-155.7	146.5	0	0	112.8	L880 S886 E887	L880-E884 PolarHBondContact O-N 3.4Å; E884-S886 PolarHBondContact O-N 3.32Å; E884-E887 PolarHBondContact O-N 2.73Å
885	D	48.3	Very low	56.6	Low	150 Å²	150	113.6 Å²	113.6	80%	0.802	59%	0.592	S	S	*	*	H	α-helix	trans	-56.1	-22.4	171.6	-92.1	-6.8	0	0	0	113.2	M883	M883-D885 PolarHBondContact O-N 2.7Å
886	S	58.1	Low	58	Low	53 Å²	53	113 Å²	113	37%	0.371	58%	0.582	S	S	.	*	H	α-helix	trans	-84.5	-26.7	176.6	83.4	0	0	0	0	113.7	M883 E884 G888 T889 V890	M883-S886 WeakPolarHBondContact O-CB 3.34Å; M883-S886 PolarHBondContact O-N 2.76Å; M883-S886 PolarHBondContact O-OG 2.98Å; E884-S886 PolarHBondContact O-N 3.32Å; S886-G888 PolarHBondContact O-N 3.35Å; S886-T889 PolarHBondContact O-N 3.08Å; S886-V890 WeakPolarHBondContact O-CB 3.44Å; S886-V890 VanDerWaalsContact O-CG2 3.3Å; S886-V890 WeakPolarHBondContact O-CG2 3.45Å; S886-V890 PolarHBondContact O-N 3.14Å
887	E	61	Low	59.4	Low	101 Å²	101	111.7 Å²	111.7	47%	0.472	58%	0.58	S	S	.	*	H	α-helix	trans	-67.4	-41.1	-172.1	-153.6	-153.4	152.3	0	0	111.8	M883 E884 T889 V890 R891	M883-E887 PolarHBondContact O-N 2.77Å; E884-E887 PolarHBondContact O-N 2.73Å; E887-T889 VanDerWaalsContact C-N 3.32Å; E887-T889 PolarHBondContact O-N 3.42Å; E887-V890 PolarHBondContact O-N 2.95Å; E887-R891 WeakPolarHBondContact O-CB 3.28Å; E887-R891 WeakPolarHBondContact O-CG 3.43Å; E887-R891 PolarHBondContact O-N 3.42Å; E887-R891 IonicContact OE1-CZ 3.49Å; E887-R891 IonicContact OE1-NE 2.68Å; E887-R891 PolarHBondContact OE1-NE 3.47Å; E887-R891 IonicContact OE1-NH2 3.48Å; E887-R891 PolarHBondContact OE1-NH2 3.17Å; E887-R891 IonicContact OE2-NH2 2.72Å
888	G	63.9	Low	61	Low	50 Å²	50	113.6 Å²	113.6	52%	0.515	59%	0.586	S	S	.	*	H	α-helix	trans	-58.8	-44.1	174.7	0	0	0	0	0	112.2	S886 Q892	S886-G888 PolarHBondContact O-N 3.35Å; G888-Q892 WeakPolarHBondContact O-CB 3.49Å; G888-Q892 PolarHBondContact O-N 3.49Å
889	T	66.6	Low	62.6	Low	78 Å²	78	108.3 Å²	108.3	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-43.6	177.1	-57	0	0	0	0	111.6	S886 E887 Q892 I893	S886-T889 PolarHBondContact O-N 3.08Å; E887-T889 VanDerWaalsContact C-N 3.32Å; E887-T889 PolarHBondContact O-N 3.42Å; T889-Q892 PolarHBondContact O-N 2.79Å; T889-I893 HydrophobicContact CG2-CD1 3.92Å; T889-I893 VanDerWaalsContact O-CG1 3.31Å; T889-I893 WeakPolarHBondContact O-CG1 3.24Å; T889-I893 PolarHBondContact O-N 3.16Å
890	V	66.1	Low	64	Low	90 Å²	90	103.5 Å²	103.5	55%	0.545	55%	0.554	S	S	.	*	H	α-helix	trans	-65.6	-40.6	178.4	168.6	0	0	0	0	111.5	S886 E887 I893 G894	S886-V890 WeakPolarHBondContact O-CB 3.44Å; S886-V890 VanDerWaalsContact O-CG2 3.3Å; S886-V890 WeakPolarHBondContact O-CG2 3.45Å; S886-V890 PolarHBondContact O-N 3.14Å; E887-V890 PolarHBondContact O-N 2.95Å; V890-I893 PolarHBondContact O-N 3.18Å; V890-G894 PolarHBondContact O-N 2.83Å
891	R	71.8	Confident	65.2	Low	174 Å²	174	105.7 Å²	105.7	66%	0.657	56%	0.562	S	S	*	*	H	α-helix	trans	-63.1	-41.1	172.4	-74.3	-174.5	-176.3	-158.5	7.2	112	E887 G894 A895	E887-R891 WeakPolarHBondContact O-CB 3.28Å; E887-R891 WeakPolarHBondContact O-CG 3.43Å; E887-R891 PolarHBondContact O-N 3.42Å; E887-R891 IonicContact OE1-CZ 3.49Å; E887-R891 IonicContact OE1-NE 2.68Å; E887-R891 PolarHBondContact OE1-NE 3.47Å; E887-R891 IonicContact OE1-NH2 3.48Å; E887-R891 PolarHBondContact OE1-NH2 3.17Å; E887-R891 IonicContact OE2-NH2 2.72Å; R891-G894 PolarHBondContact O-N 3.44Å; R891-A895 PolarHBondContact O-N 3.45Å
892	Q	70	Confident	66.9	Low	142 Å²	142	103 Å²	103	66%	0.664	55%	0.553	S	S	*	*	H	α-helix	trans	-66.7	-40.8	177.9	-167.1	171.6	9.5	0	0	111.9	G888 T889 F896	G888-Q892 WeakPolarHBondContact O-CB 3.49Å; G888-Q892 PolarHBondContact O-N 3.49Å; T889-Q892 PolarHBondContact O-N 2.79Å; Q892-F896 WeakPolarHBondContact O-CB 3.46Å; Q892-F896 PolarHBondContact O-N 2.66Å
893	I	68.6	Low	68	Low	108 Å²	108	99.6 Å²	99.6	55%	0.554	54%	0.539	S	S	*	.	H	α-helix	trans	-64.1	-40.5	172.1	-69.4	168	0	0	0	111	T889 V890 F896 S897	T889-I893 HydrophobicContact CG2-CD1 3.92Å; T889-I893 VanDerWaalsContact O-CG1 3.31Å; T889-I893 WeakPolarHBondContact O-CG1 3.24Å; T889-I893 PolarHBondContact O-N 3.16Å; V890-I893 PolarHBondContact O-N 3.18Å; I893-F896 PolarHBondContact O-N 3.13Å; I893-S897 WeakPolarHBondContact O-CB 3.48Å; I893-S897 PolarHBondContact O-N 3.15Å
894	G	74.9	Confident	69.1	Low	37 Å²	37	97.1 Å²	97.1	38%	0.381	53%	0.531	S	S	.	.	H	α-helix	trans	-57.9	-52.4	175.1	0	0	0	0	0	112.2	V890 R891 F896 S897 E898	V890-G894 PolarHBondContact O-N 2.83Å; R891-G894 PolarHBondContact O-N 3.44Å; G894-F896 VanDerWaalsContact C-N 3.3Å; G894-F896 PolarHBondContact O-N 3.44Å; G894-S897 WeakPolarHBondContact O-CB 3.29Å; G894-S897 PolarHBondContact O-N 3.07Å; G894-S897 VanDerWaalsContact O-N 3.17Å; G894-E898 WeakPolarHBondContact O-CB 3.39Å; G894-E898 PolarHBondContact O-N 3.38Å
895	A	76.1	Confident	70	Confident	63 Å²	63	92.4 Å²	92.4	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-35.2	176.1	0	0	0	0	0	112.8	R891 G899	R891-A895 PolarHBondContact O-N 3.45Å; A895-G899 PolarHBondContact O-N 2.82Å
896	F	70.4	Confident	70.9	Confident	149 Å²	149	90.6 Å²	90.6	65%	0.654	50%	0.502	S	S	*	.	H	α-helix	trans	-68.8	-39.5	174.8	-136.4	-85.4	0	0	0	112.1	Q892 I893 G894 G899 I900	Q892-F896 WeakPolarHBondContact O-CB 3.46Å; Q892-F896 PolarHBondContact O-N 2.66Å; I893-F896 PolarHBondContact O-N 3.13Å; G894-F896 VanDerWaalsContact C-N 3.3Å; G894-F896 PolarHBondContact O-N 3.44Å; F896-G899 PolarHBondContact O-N 3.19Å; F896-I900 HydrophobicContact CD1-CD1 3.93Å; F896-I900 HydrophobicContact CD1-CG1 4.44Å; F896-I900 HydrophobicContact CE1-CD1 4.43Å; F896-I900 VanDerWaalsContact O-CG1 3.31Å; F896-I900 WeakPolarHBondContact O-CG1 3.4Å; F896-I900 PolarHBondContact O-N 3.28Å
897	S	76.7	Confident	71.2	Confident	59 Å²	59	94.4 Å²	94.4	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-66.6	-42.2	175.8	-167.7	0	0	0	0	111.7	I893 G894 I900 Q901	I893-S897 WeakPolarHBondContact O-CB 3.48Å; I893-S897 PolarHBondContact O-N 3.15Å; G894-S897 WeakPolarHBondContact O-CB 3.29Å; G894-S897 PolarHBondContact O-N 3.07Å; G894-S897 VanDerWaalsContact O-N 3.17Å; S897-I900 PolarHBondContact O-N 3.15Å; S897-Q901 WeakPolarHBondContact O-CB 3.42Å; S897-Q901 WeakPolarHBondContact O-CG 3.46Å; S897-Q901 PolarHBondContact O-N 3.21Å
898	E	79.3	Confident	71.3	Confident	123 Å²	123	96.6 Å²	96.6	58%	0.575	53%	0.526	S	S	*	.	H	α-helix	trans	-65.2	-38.1	173.8	-174.6	172.2	-152.1	0	0	111.9	G894 Q901 N902	G894-E898 WeakPolarHBondContact O-CB 3.39Å; G894-E898 PolarHBondContact O-N 3.38Å; E898-Q901 PolarHBondContact O-N 2.95Å; E898-N902 WeakPolarHBondContact O-CB 3.47Å; E898-N902 PolarHBondContact O-N 2.84Å; E898-N902 PolarHBondContact O-ND2 2.94Å
899	G	78.6	Confident	71	Confident	34 Å²	34	99.9 Å²	99.9	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-61.9	-44.2	170.5	0	0	0	0	0	112.8	A895 F896 N902 L903	A895-G899 PolarHBondContact O-N 2.82Å; F896-G899 PolarHBondContact O-N 3.19Å; G899-N902 PolarHBondContact O-N 3.12Å; G899-L903 WeakPolarHBondContact O-CB 3.3Å; G899-L903 PolarHBondContact O-N 2.81Å
900	I	77.4	Confident	70.2	Confident	91 Å²	91	101.7 Å²	101.7	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-39.7	174.5	-71.5	166.2	0	0	0	111.1	F896 S897 L903 T904	F896-I900 HydrophobicContact CD1-CD1 3.93Å; F896-I900 HydrophobicContact CD1-CG1 4.44Å; F896-I900 HydrophobicContact CE1-CD1 4.43Å; F896-I900 VanDerWaalsContact O-CG1 3.31Å; F896-I900 WeakPolarHBondContact O-CG1 3.4Å; F896-I900 PolarHBondContact O-N 3.28Å; S897-I900 PolarHBondContact O-N 3.15Å; I900-L903 PolarHBondContact O-N 3.46Å; I900-T904 VanDerWaalsContact O-CB 3.28Å; I900-T904 WeakPolarHBondContact O-CB 3.38Å; I900-T904 PolarHBondContact O-N 3.22Å; I900-T904 PolarHBondContact O-OG1 2.92Å
901	Q	75.1	Confident	69.7	Low	132 Å²	132	103.8 Å²	103.8	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-68.7	-39.9	177.8	-75.8	-175.7	0.3	0	0	112.4	S897 E898 T904 S905	S897-Q901 WeakPolarHBondContact O-CB 3.42Å; S897-Q901 WeakPolarHBondContact O-CG 3.46Å; S897-Q901 PolarHBondContact O-N 3.21Å; E898-Q901 PolarHBondContact O-N 2.95Å; Q901-T904 CarbonylContact O-C 3.49Å; Q901-T904 PolarHBondContact O-N 3.07Å; Q901-S905 PolarHBondContact O-N 2.71Å
902	N	76.8	Confident	68.7	Low	95 Å²	95	104.2 Å²	104.2	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-64.7	-43.7	173.2	-80.3	-66.7	0	0	0	112	E898 G899 T904 S905 M906	E898-N902 WeakPolarHBondContact O-CB 3.47Å; E898-N902 PolarHBondContact O-N 2.84Å; E898-N902 PolarHBondContact O-ND2 2.94Å; G899-N902 PolarHBondContact O-N 3.12Å; N902-T904 VanDerWaalsContact C-N 3.27Å; N902-T904 PolarHBondContact O-N 3.44Å; N902-S905 PolarHBondContact O-N 3.02Å; N902-S905 VanDerWaalsContact O-N 3.12Å; N902-M906 WeakPolarHBondContact O-CG 3.2Å; N902-M906 PolarHBondContact O-N 2.9Å
903	L	72.9	Confident	67.8	Low	97 Å²	97	107.4 Å²	107.4	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-58.7	-38.8	170.4	-81.2	164	0	0	0	112	G899 I900 S905 M906 L907	G899-L903 WeakPolarHBondContact O-CB 3.3Å; G899-L903 PolarHBondContact O-N 2.81Å; I900-L903 PolarHBondContact O-N 3.46Å; L903-S905 VanDerWaalsContact C-N 3.33Å; L903-M906 PolarHBondContact O-N 3.49Å; L903-L907 WeakPolarHBondContact O-CB 3.43Å; L903-L907 VanDerWaalsContact O-CG 3.24Å; L903-L907 WeakPolarHBondContact O-CG 3.46Å; L903-L907 PolarHBondContact O-N 3.48Å
904	T	70.4	Confident	66.7	Low	63 Å²	63	109.7 Å²	109.7	39%	0.387	57%	0.567	S	S	.	*	H	α-helix	trans	-73.1	-22.4	177.2	-55.4	0	0	0	0	112.8	I900 Q901 N902 K908	I900-T904 VanDerWaalsContact O-CB 3.28Å; I900-T904 WeakPolarHBondContact O-CB 3.38Å; I900-T904 PolarHBondContact O-N 3.22Å; I900-T904 PolarHBondContact O-OG1 2.92Å; Q901-T904 CarbonylContact O-C 3.49Å; Q901-T904 PolarHBondContact O-N 3.07Å; N902-T904 VanDerWaalsContact C-N 3.27Å; N902-T904 PolarHBondContact O-N 3.44Å; T904-K908 WeakPolarHBondContact O-CD 3.5Å; T904-K908 VanDerWaalsContact O-CG 3.28Å; T904-K908 WeakPolarHBondContact O-CG 3.46Å
905	S	67.6	Low	65.2	Low	52 Å²	52	117 Å²	117	36%	0.364	59%	0.591	S	S	.	*	H	α-helix	trans	-75.1	-52.4	168.3	-160.1	0	0	0	0	110.1	Q901 N902 L903 L907 K908 D909	Q901-S905 PolarHBondContact O-N 2.71Å; N902-S905 PolarHBondContact O-N 3.02Å; N902-S905 VanDerWaalsContact O-N 3.12Å; L903-S905 VanDerWaalsContact C-N 3.33Å; S905-L907 VanDerWaalsContact C-N 3.25Å; S905-L907 PolarHBondContact O-N 3.34Å; S905-K908 CarbonylContact O-C 3.55Å; S905-K908 WeakPolarHBondContact O-CA 3.46Å; S905-K908 WeakPolarHBondContact O-CB 3.5Å; S905-K908 PolarHBondContact O-N 2.9Å; S905-D909 VanDerWaalsContact C-OD2 3.22Å; S905-D909 VanDerWaalsContact O-CG 3.24Å; S905-D909 PolarHBondContact O-N 3.22Å; S905-D909 PolarHBondContact OG-OD2 3.25Å
906	M	67.3	Low	63.3	Low	111 Å²	111	122 Å²	122	55%	0.547	61%	0.606	S	S	.	*	H	α-helix	trans	-52.4	-43.6	176.8	-70.9	166.6	50.7	0	0	112	N902 L903 K908 D909 D910	N902-M906 WeakPolarHBondContact O-CG 3.2Å; N902-M906 PolarHBondContact O-N 2.9Å; L903-M906 PolarHBondContact O-N 3.49Å; M906-K908 PolarHBondContact O-N 3.04Å; M906-D909 PolarHBondContact O-N 2.9Å; M906-D910 WeakPolarHBondContact O-CB 3.44Å; M906-D910 PolarHBondContact O-N 3.02Å
907	L	64.4	Low	61.6	Low	133 Å²	133	120.5 Å²	120.5	70%	0.696	61%	0.614	S	S	*	*	H	α-helix	trans	-72.2	-3.5	175.9	-68.9	169.9	0	0	0	115.3	L903 S905	L903-L907 WeakPolarHBondContact O-CB 3.43Å; L903-L907 VanDerWaalsContact O-CG 3.24Å; L903-L907 WeakPolarHBondContact O-CG 3.46Å; L903-L907 PolarHBondContact O-N 3.48Å; S905-L907 VanDerWaalsContact C-N 3.25Å; S905-L907 PolarHBondContact O-N 3.34Å
908	K	61.8	Low	59.5	Low	148 Å²	148	125.3 Å²	125.3	64%	0.643	64%	0.635	S	S	*	*	H	α-helix	trans	-103.9	-33.3	167.8	-73.3	170.5	-178.6	174.2	0	112.3	T904 S905 M906	T904-K908 WeakPolarHBondContact O-CD 3.5Å; T904-K908 VanDerWaalsContact O-CG 3.28Å; T904-K908 WeakPolarHBondContact O-CG 3.46Å; S905-K908 CarbonylContact O-C 3.55Å; S905-K908 WeakPolarHBondContact O-CA 3.46Å; S905-K908 WeakPolarHBondContact O-CB 3.5Å; S905-K908 PolarHBondContact O-N 2.9Å; M906-K908 PolarHBondContact O-N 3.04Å
909	D	57.3	Low	57.3	Low	119 Å²	119	124.9 Å²	124.9	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-76.2	-27.1	179.6	-60.6	-45.9	0	0	0	111	S905 M906 E911	S905-D909 VanDerWaalsContact C-OD2 3.22Å; S905-D909 VanDerWaalsContact O-CG 3.24Å; S905-D909 PolarHBondContact O-N 3.22Å; S905-D909 PolarHBondContact OG-OD2 3.25Å; M906-D909 PolarHBondContact O-N 2.9Å; D909-E911 VanDerWaalsContact C-N 3.29Å; D909-E911 PolarHBondContact O-N 3.05Å
910	D	51.3	Low	55.9	Low	116 Å²	116	128.3 Å²	128.3	62%	0.62	66%	0.661	S	S	*	*			trans	-73.4	68.2	165.4	-83	-31.6	0	0	0	112.3	M906 F912	M906-D910 WeakPolarHBondContact O-CB 3.44Å; M906-D910 PolarHBondContact O-N 3.02Å; D910-F912 PolarHBondContact O-N 2.9Å
911	E	53.9	Low	53.8	Low	133 Å²	133	131.2 Å²	131.2	62%	0.621	68%	0.678	S	S	*	*			trans	-69.5	32.6	166.7	-82.1	-142.6	119.7	0	0	113.3	D909 F913 K914	D909-E911 VanDerWaalsContact C-N 3.29Å; D909-E911 PolarHBondContact O-N 3.05Å; E911-F913 VanDerWaalsContact C-N 3.34Å; E911-F913 PolarHBondContact O-N 3.48Å; E911-K914 WeakPolarHBondContact OE1-CD 3.26Å; E911-K914 IonicContact OE1-NZ 2.62Å; E911-K914 PolarHBondContact OE1-NZ 2.81Å
912	F	52.4	Low	52.6	Low	184 Å²	184	130 Å²	130	81%	0.807	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	11	-174.5	-134	-90.1	0	0	0	115.4	D910	D910-F912 PolarHBondContact O-N 2.9Å
913	F	50.7	Low	50.4	Low	208 Å²	208	130.3 Å²	130.3	91%	0.912	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	44	174.5	-88.4	-76.5	0	0	0	113.1	E911	E911-F913 VanDerWaalsContact C-N 3.34Å; E911-F913 PolarHBondContact O-N 3.48Å
914	K	46.1	Very low	48.6	Very low	157 Å²	157	131.5 Å²	131.5	68%	0.683	70%	0.702	S	S	*	*			trans	-131	7.8	179.2	-127.1	176.8	-169.1	172	0	116.5	E911	E911-K914 WeakPolarHBondContact OE1-CD 3.26Å; E911-K914 IonicContact OE1-NZ 2.62Å; E911-K914 PolarHBondContact OE1-NZ 2.81Å
915	E	43	Very low	47.1	Very low	189 Å²	189	134 Å²	134	88%	0.883	72%	0.718	S	S	*	*	S	Bend	trans	-100	42.8	172.1	-157.3	169.7	-139.3	0	0	112.6
916	M	36.3	Very low	45.6	Very low	169 Å²	169	137.8 Å²	137.8	83%	0.833	73%	0.734	S	S	*	*	S	Bend	trans	-166	117.3	166.4	-106.1	161	-83.4	0	0	106.3
917	S	34.8	Very low	44.4	Very low	117 Å²	117	140 Å²	140	82%	0.818	74%	0.743	S	S	*	*			cis	-143.4	147.9	13.1	-60.1	0	0	0	0	111.5
918	N	32.2	Very low	43.2	Very low	160 Å²	160	141.7 Å²	141.7	86%	0.856	75%	0.747	S	S	*	*			trans	-98.8	168.1	168.8	-115	-40.4	0	0	0	110.8
919	S	32.9	Very low	42.2	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	76%	0.756	S	S	*	*			trans	82.6	148	176.5	86.4	0	0	0	0	116.3
920	P	49	Very low	41.6	Very low	106 Å²	106	142.7 Å²	142.7	69%	0.688	77%	0.769	S	S	*	*				-140.9	174.9	-126.9	43.2	-26.4	0	0	0	118
921	N	33.8	Very low	41	Very low	153 Å²	153	145.6 Å²	145.6	82%	0.818	81%	0.809	S	S	*	*			trans	66.6	170.1	154.6	-77.1	-10.6	0	0	0	117.5
922	P	48.6	Very low	40.3	Very low	106 Å²	106	146.2 Å²	146.2	69%	0.688	82%	0.818	S	S	*	*			cis	-127.9	-166.8	-16.8	29.1	-7.4	0	0	0	112.9
923	S	31.8	Very low	39.7	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	82%	0.819	S	S	*	*			trans	69.5	120	160.3	31.4	0	0	0	0	117.3
924	V	34.7	Very low	39.1	Very low	122 Å²	122	140.7 Å²	140.7	74%	0.739	81%	0.814	S	S	*	*			cis	87	115.9	46.6	171.9	0	0	0	0	111.8
925	T	38.3	Very low	38.7	Very low	115 Å²	115	139.7 Å²	139.7	71%	0.706	82%	0.821	S	S	*	*			trans	62.7	153.9	169.2	47.2	0	0	0	0	116.1
926	D	37.8	Very low	38.4	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	82%	0.817	S	S	*	*			cis	-155.1	168	6.1	-123.5	-15.5	0	0	0	112.1
927	E	40.2	Very low	38.5	Very low	158 Å²	158	134.5 Å²	134.5	74%	0.738	82%	0.816	S	S	*	*			trans	60	163.5	145.3	-65.8	-75.3	70.5	0	0	123.4
928	E	41.1	Very low	38.8	Very low	168 Å²	168	135.7 Å²	135.7	79%	0.785	82%	0.816	S	S	*	*			trans	-56	148.4	-175.9	-47.2	178.3	114.8	0	0	116.3
929	S	39.8	Very low	39.3	Very low	118 Å²	118	133.8 Å²	133.8	83%	0.825	81%	0.813	S	S	*	*				177	159.9	102.5	43.6	0	0	0	0	113.6
930	N	44.9	Very low	39.8	Very low	170 Å²	170	135.5 Å²	135.5	91%	0.909	81%	0.814	S	S	*	*			trans	-73.3	145	-169.2	-57.6	-63	0	0	0	115.1
931	A	37.8	Very low	39	Very low	177 Å²	177	138.2 Å²	138.2	100%	1.463	83%	0.826	S	S	*	*			trans	-145.9	0	142.9	0	0	0	0	0	109.4

Retrieved 931 of 931 residues in 2034.1 ms (Link to these results)

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