A0A096NJF5_PAPAN Loading...

phosphatidylinositol-3,5-bisphosphate 3-phosphatase

AlphaFold DB , UniProt , Accession A0A096NJF5, Species PAPAN (Papio anubis, Olive baboon), Gene MTMR3, Length 1,207 aa.

						>A0A096NJF5_PAPAN|A0A096NJF5|MTMR3
MDEETRHSLECIQANQIFPRKQLIREDENLQVPFLELHGESTEFVGRAEDAIIALSNYRLHIKFKESLVNVPLQLIESVECRDIFQLHLTCKDCKVIRCQFSTFEQCQEWLKRLNNAIRPPAKIEDLFSFAYHAWCMEVYASEKEQHGDLCRPGEHVTSRFKNEVERMGFDMNNAWRISNINEKYKLCGSYPQELIVPAWITDKELESVASFRSWKRIPAVVYRHQSNGAVIARCGQPEVSWWGWRNADDEHLVQSVAKACASDSRSSGSKLSTRNTSRDFPNGGDLSDVEFDSSLSNASGAESLAIQPQKLLILDARSYAAAVANRAKGGGCECPEYYPNCEVVFMGMANIHSIRRSFQSLRLLCTQMPDPGNWLSALESTKWLHHLSVLLKSALLVVHAVDQDQRPVLVHCSDGWDRTPQIVALAKLLLDPYYRTIEGFQVLVEMEWLDFGHKFADRCGHGENSDDLNERCPVFLQWLDCVHQLQRQFPCSFEFNEAFLVKLVQHTYSCLFGTFLCNNAKERGEKHTQERTCSVWSLLRAGNKAFKNLLYSSQSEAVLYPVCHVRNLMLWSAVYLPCPSPTTPVDDSCAPYPAPGTSPDDPPLSRLPKTRSYDNLSTACDNTVPLASRRCSDPSLNEKWQEHRRSLELSSLAGPGEDPLSADSLGKPTRVPGGAELSVAAGVAEGQMENILQEATKEESGVEEPAHRAGIEMQEDKENPLLEKESRRKTPEASTIGLHQDLELGDAALRSHLDMSRPLFSQGISEQQGGLSVLLSSLQFPLRDEDSLEVPVEQFRIEEKAEGREEAVLPIPVNAKVGYGTSQSCSLLPSQVPFETRGPNVDSSTDMLVEDKVESGSGPQVHHRPCLVNSGKDRLPQTMEPSPSETSLVERPQVGSVVHRTSPGSTLSLTRSPCALPLAECKEGLVCNGAPETENRASEQPPGLSTLQMYATPNGHFANGEAGRSKDSLSRQLSAMSCSSAHLHSRNLHHKWLHSHSGRPSATSSPDQPSRSHLDDDGMSVYTDTIQQRLRQIESGHQQEVETLKKQVQELKSRLESQYLTSSLHFNGDFGDEVTSIPDSESNLDQNCLSRCSTEIFSEASWEQVDKQDTEMTRWLPDHLAAHCYACDSAFWLASRKHHCRDTDRVDQTWNCGNVFCSSCCNQKVPVPSQQLFEPSRVCKSCYSSLRPTSSSIDLELDKPIAATSN
					

Structure Viewer

Loading PAE data...

(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	40.7	Very low	41.4	Very low	230 Å²	230	170.4 Å²	170.4	100%	1.133	86%	0.861	S	S	*	*				0	-179.9	0	-72.7	-169.9	-78.2	0	0	107.2
2	D	34.9	Very low	43.8	Very low	163 Å²	163	165 Å²	165	87%	0.872	83%	0.834	S	S	*	*			trans	79.4	32.3	174	-41.2	-8.3	0	0	0	114.6
3	E	37.3	Very low	46.7	Very low	186 Å²	186	158.8 Å²	158.8	87%	0.869	80%	0.8	S	S	*	*				-87.4	159.9	128.6	-71.1	-163	121.6	0	0	108.4
4	E	41.3	Very low	49.4	Very low	189 Å²	189	147.8 Å²	147.8	88%	0.883	75%	0.746	S	S	*	*			trans	93.1	53.8	-175.1	-56.1	-167.1	146.1	0	0	118.2
5	T	37.5	Very low	51.7	Low	123 Å²	123	142.1 Å²	142.1	76%	0.755	72%	0.718	S	S	*	*			trans	-149.2	37.6	149.4	-17.6	0	0	0	0	114.8
6	R	37.9	Very low	53.9	Low	242 Å²	242	140.8 Å²	140.8	91%	0.913	71%	0.709	S	S	*	*			trans	-86	106.7	157.3	-74.5	-175.2	177.4	175.8	0.5	107.8	S8	R6-S8 PolarHBondContact O-N 2.93Å
7	H	37.3	Very low	55.8	Low	172 Å²	172	137.9 Å²	137.9	80%	0.796	70%	0.695	S	S	*	*			trans	-62.7	120.6	170	-65	-34.7	0	0	0	109	L9	H7-L9 PolarHBondContact O-N 3.35Å; H7-L9 VanDerWaalsContact O-N 3.12Å
8	S	41.1	Very low	57.7	Low	104 Å²	104	132.9 Å²	132.9	73%	0.727	67%	0.668	S	S	*	*			trans	-61.6	113.4	172.3	-59.7	0	0	0	0	109	R6 E10	R6-S8 PolarHBondContact O-N 2.93Å; S8-E10 VanDerWaalsContact C-N 3.27Å; S8-E10 PolarHBondContact O-N 2.89Å
9	L	46.3	Very low	59.2	Low	176 Å²	176	130.7 Å²	130.7	92%	0.921	66%	0.664	S	S	*	*			trans	-69.3	94.7	157.6	-73.1	169.9	0	0	0	106.4	H7 C11	H7-L9 PolarHBondContact O-N 3.35Å; H7-L9 VanDerWaalsContact O-N 3.12Å; L9-C11 PolarHBondContact O-N 3.41Å
10	E	43.2	Very low	60.6	Low	171 Å²	171	130.2 Å²	130.2	80%	0.799	65%	0.653	S	S	*	*			trans	-60.3	111.1	169.8	-68.6	-169.9	143.7	0	0	108	S8 I12	S8-E10 VanDerWaalsContact C-N 3.27Å; S8-E10 PolarHBondContact O-N 2.89Å; E10-I12 VanDerWaalsContact C-N 3.34Å; E10-I12 PolarHBondContact O-N 3.14Å
11	C	58.1	Low	61.8	Low	118 Å²	118	129.7 Å²	129.7	80%	0.797	65%	0.647	S	S	*	*			trans	-72.5	93.6	175.8	-168.4	0	0	0	0	108	L9 Q13	L9-C11 PolarHBondContact O-N 3.41Å; C11-Q13 PolarHBondContact O-N 3.3Å; C11-Q13 VanDerWaalsContact O-N 3.14Å
12	I	70.5	Confident	64	Low	106 Å²	106	127 Å²	127	54%	0.544	63%	0.632	S	S	.	*			trans	-61.2	115.4	178.4	-50.4	179.8	0	0	0	107.8	E10 Q16 I17	E10-I12 VanDerWaalsContact C-N 3.34Å; E10-I12 PolarHBondContact O-N 3.14Å; I12-Q16 HydrophobicContact CG2-CB 3.97Å; I12-I17 HydrophobicContact CB-CD1 4.32Å; I12-I17 HydrophobicContact CB-CG1 4.48Å; I12-I17 HydrophobicContact CG2-CD1 3.9Å; I12-I17 HydrophobicContact CG2-CG1 3.54Å
13	Q	81.4	Confident	66.7	Low	84 Å²	84	121.8 Å²	121.8	39%	0.393	60%	0.604	S	S	.	*			trans	-67.8	150	-177	-68.7	-177.8	-23.3	0	0	110.6	C11 N15 Q16 I17	C11-Q13 PolarHBondContact O-N 3.3Å; C11-Q13 VanDerWaalsContact O-N 3.14Å; Q13-N15 PolarHBondContact O-N 3.01Å; Q13-N15 VanDerWaalsContact O-N 3.16Å; Q13-N15 PolarHBondContact OE1-ND2 2.88Å; Q13-N15 PolarHBondContact OE1-OD1 2.87Å; Q13-Q16 HydrophobicContact CB-CG 4.2Å; Q13-Q16 WeakPolarHBondContact O-CB 3.49Å; Q13-Q16 PolarHBondContact O-N 3.29Å; Q13-I17 PolarHBondContact O-N 2.78Å
14	A	84.3	Confident	69.3	Low	5 Å²	5	117 Å²	117	4%	0.041	58%	0.583	C	S	.	*	H	α-helix	trans	-61.5	-28.1	177.7	0	0	0	0	0	111.3	Q16 I17 F18 A134 W135 E138	A14-Q16 VanDerWaalsContact C-N 3.3Å; A14-Q16 PolarHBondContact O-N 3.25Å; A14-I17 PolarHBondContact O-N 3.42Å; A14-F18 CarbonylContact O-C 3.59Å; A14-F18 WeakPolarHBondContact O-CA 3.36Å; A14-F18 WeakPolarHBondContact O-CB 3.43Å; A14-F18 PolarHBondContact O-N 3.33Å; A14-A134 HydrophobicContact CB-CB 3.86Å; A14-W135 HydrophobicContact CB-CB 4.34Å; A14-W135 HydrophobicContact CB-CD2 4.1Å; A14-W135 HydrophobicContact CB-CG 3.77Å; A14-W135 PolarHBondContact O-NE1 2.7Å; A14-E138 HydrophobicContact CB-CB 4.41Å; A14-E138 WeakPolarHBondContact CB-OE2 3.25Å; A14-E138 PolarHBondContact N-OE2 2.76Å
15	N	84.5	Confident	71.7	Confident	62 Å²	62	113.1 Å²	113.1	33%	0.332	56%	0.56	S	S	.	*	H	α-helix	trans	-68.6	-19.3	173	70.9	46.8	0	0	0	114.9	Q13 P19 W135	Q13-N15 PolarHBondContact O-N 3.01Å; Q13-N15 VanDerWaalsContact O-N 3.16Å; Q13-N15 PolarHBondContact OE1-ND2 2.88Å; Q13-N15 PolarHBondContact OE1-OD1 2.87Å; N15-P19 VanDerWaalsContact O-CA 3.31Å; N15-P19 WeakPolarHBondContact O-CA 3.43Å; N15-W135 HydrophobicContact CB-CH2 3.83Å; N15-W135 HydrophobicContact CB-CZ2 3.77Å
16	Q	85.8	Confident	74.2	Confident	121 Å²	121	110.6 Å²	110.6	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-86.6	-35.1	176.8	-67.6	164.6	3.7	0	0	111.4	I12 Q13 A14	I12-Q16 HydrophobicContact CG2-CB 3.97Å; Q13-Q16 HydrophobicContact CB-CG 4.2Å; Q13-Q16 WeakPolarHBondContact O-CB 3.49Å; Q13-Q16 PolarHBondContact O-N 3.29Å; A14-Q16 VanDerWaalsContact C-N 3.3Å; A14-Q16 PolarHBondContact O-N 3.25Å
17	I	86.1	Confident	76.5	Confident	93 Å²	93	101.2 Å²	101.2	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-82.6	-43.4	178.1	-50.1	176.6	0	0	0	110.6	I12 Q13 A14 P19	I12-I17 HydrophobicContact CB-CD1 4.32Å; I12-I17 HydrophobicContact CB-CG1 4.48Å; I12-I17 HydrophobicContact CG2-CD1 3.9Å; I12-I17 HydrophobicContact CG2-CG1 3.54Å; Q13-I17 PolarHBondContact O-N 2.78Å; A14-I17 PolarHBondContact O-N 3.42Å; I17-P19 VanDerWaalsContact C-CD 3.47Å; I17-P19 WeakPolarHBondContact O-CD 3.36Å
18	F	89.9	Confident	78.7	Confident	47 Å²	47	99.9 Å²	99.9	21%	0.206	50%	0.502	C	S	.	.	S	Bend	trans	-123.9	72.6	-177	-56.1	-75.3	0	0	0	109.8	A14 F130 A131 A134 W135	A14-F18 CarbonylContact O-C 3.59Å; A14-F18 WeakPolarHBondContact O-CA 3.36Å; A14-F18 WeakPolarHBondContact O-CB 3.43Å; A14-F18 PolarHBondContact O-N 3.33Å; F18-F130 HydrophobicContact CE1-CB 4.22Å; F18-F130 HydrophobicContact CE2-CB 4.5Å; F18-F130 HydrophobicContact CZ-CB 3.7Å; F18-A131 HydrophobicContact CB-CB 4.01Å; F18-A131 HydrophobicContact CD1-CB 3.72Å; F18-A131 HydrophobicContact CD2-CB 4.24Å; F18-A131 HydrophobicContact CE1-CB 4.24Å; F18-A131 HydrophobicContact CG-CB 3.72Å; F18-A134 HydrophobicContact CD2-CB 3.83Å; F18-A134 HydrophobicContact CE2-CB 3.75Å; F18-W135 PolarHBondContact O-NE1 3.24Å
19	P	87.1	Confident	80.9	Confident	91 Å²	91	101.1 Å²	101.1	59%	0.591	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-65.6	135.8	179.6	27.4	-35	0	0	0	111.2	N15 I17 K21	N15-P19 VanDerWaalsContact O-CA 3.31Å; N15-P19 WeakPolarHBondContact O-CA 3.43Å; I17-P19 VanDerWaalsContact C-CD 3.47Å; I17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-K21 PolarHBondContact O-N 3.3Å
20	R	86.4	Confident	82.8	Confident	120 Å²	120	92.9 Å²	92.9	45%	0.453	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-66.3	130.7	173.3	-63.6	-173.4	-179	-131.5	0.2	109.6	E36 E40 W135	R20-E36 IonicContact NH1-OE2 2.73Å; R20-E36 PolarHBondContact NH1-OE2 3.06Å; R20-E40 PolarHBondContact NH1-O 2.86Å; R20-W135 HydrophobicContact CG-CH2 4.04Å; R20-W135 HydrophobicContact CG-CZ2 3.87Å; R20-W135 VanDerWaalsContact NE-CH2 3.29Å
21	K	86	Confident	84.9	Confident	120 Å²	120	92.2 Å²	92.2	52%	0.522	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-76	159.8	174.3	-64	-179.3	-166.7	156.5	0	110.7	P19 E43	P19-K21 PolarHBondContact O-N 3.3Å; K21-E43 HydrophobicContact CB-CG 4.38Å; K21-E43 VanDerWaalsContact CD-CD 3.42Å; K21-E43 HydrophobicContact CD-CG 4.03Å; K21-E43 VanDerWaalsContact CD-OE2 3.27Å; K21-E43 WeakPolarHBondContact CD-OE2 3.27Å; K21-E43 IonicContact NZ-OE1 3.9Å; K21-E43 PolarHBondContact NZ-OE1 3.23Å; K21-E43 IonicContact NZ-OE2 2.83Å; K21-E43 PolarHBondContact NZ-OE2 3.08Å
22	Q	87.3	Confident	86.2	Confident	173 Å²	173	88.7 Å²	88.7	81%	0.808	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-74.3	128.1	175.8	-175.5	174.2	4.2	0	0	110.6	I24	Q22-I24 PolarHBondContact O-N 2.9Å
23	L	91.8	Very high	86.8	Confident	54 Å²	54	85 Å²	85	28%	0.283	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64.6	123.5	172.7	169.5	61.6	0	0	0	110.9	R25 V32 T42 V45	L23-R25 HydrophobicContact CD2-CG 4.48Å; L23-R25 HydrophobicContact CG-CG 4.32Å; L23-V32 HydrophobicContact CD2-CG2 4.01Å; L23-T42 WeakPolarHBondContact CA-O 3.47Å; L23-T42 HydrophobicContact CD1-CG2 4.06Å; L23-T42 WeakPolarHBondContact CD1-O 3.38Å; L23-V45 HydrophobicContact CD1-CB 4.44Å; L23-V45 HydrophobicContact CD1-CG2 3.73Å
24	I	92.2	Very high	87.1	Confident	87 Å²	87	82.2 Å²	82.2	45%	0.446	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129	171.8	-63.8	167.8	0	0	0	108.9	Q22 E43 F44 V45	Q22-I24 PolarHBondContact O-N 2.9Å; I24-E43 WeakPolarHBondContact CB-O 3.46Å; I24-E43 PolarHBondContact N-O 2.9Å; I24-F44 HydrophobicContact CB-CD1 3.92Å; I24-F44 HydrophobicContact CB-CE1 4.22Å; I24-F44 HydrophobicContact CD1-CD1 4.22Å; I24-F44 HydrophobicContact CD1-CE1 3.62Å; I24-F44 HydrophobicContact CD1-CZ 4.19Å; I24-F44 HydrophobicContact CG1-CE1 4.49Å; I24-F44 HydrophobicContact CG2-CD1 4.09Å; I24-F44 HydrophobicContact CG2-CE1 4.38Å; I24-F44 CarbonylContact O-C 3.5Å; I24-F44 WeakPolarHBondContact O-CA 3.23Å; I24-V45 PolarHBondContact O-N 3.37Å
25	R	91.9	Very high	87.3	Confident	106 Å²	106	86.4 Å²	86.4	40%	0.4	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.2	175.4	-62.4	179.3	-178.9	125.8	5.7	110.5	L23 D27 E28 L30	L23-R25 HydrophobicContact CD2-CG 4.48Å; L23-R25 HydrophobicContact CG-CG 4.32Å; R25-D27 VanDerWaalsContact C-N 3.31Å; R25-E28 IonicContact CZ-OE2 3.84Å; R25-E28 IonicContact NH1-OE2 3.3Å; R25-E28 PolarHBondContact NH1-OE2 3.07Å; R25-L30 VanDerWaalsContact CD-O 3.3Å; R25-L30 WeakPolarHBondContact CD-O 3.25Å; R25-L30 PolarHBondContact NE-O 3.16Å
26	E	89.4	Confident	87.6	Confident	71 Å²	71	86.3 Å²	86.3	33%	0.332	42%	0.418	S	S	.	.	S	Bend	trans	-77.9	-21.2	168.4	-62.1	-178.3	165.1	0	0	112.6	V45 G46 R47 W110 R113	E26-V45 PolarHBondContact N-O 3.49Å; E26-G46 WeakPolarHBondContact OE2-CA 3.41Å; E26-R47 PolarHBondContact OE2-N 3.05Å; E26-W110 PolarHBondContact OE1-NE1 2.96Å; E26-R113 IonicContact OE1-CZ 3.28Å; E26-R113 IonicContact OE1-NH1 3.94Å; E26-R113 PolarHBondContact OE1-NH1 3.22Å; E26-R113 IonicContact OE1-NH2 2.58Å
27	D	85.8	Confident	87.9	Confident	44 Å²	44	81.9 Å²	81.9	24%	0.235	40%	0.398	C	S	.	.	S	Bend	trans	-147.8	123.9	178.8	160.9	18.6	0	0	0	107.3	R25 N29 L30 R47	R25-D27 VanDerWaalsContact C-N 3.31Å; D27-N29 PolarHBondContact O-N 3.33Å; D27-N29 WeakPolarHBondContact OD1-CB 3.14Å; D27-N29 PolarHBondContact OD1-N 2.92Å; D27-N29 PolarHBondContact OD1-ND2 2.91Å; D27-L30 HydrophobicContact CB-CD1 3.9Å; D27-L30 HydrophobicContact CB-CG 4Å; D27-L30 VanDerWaalsContact O-CB 3.26Å; D27-L30 WeakPolarHBondContact O-CB 3.45Å; D27-L30 WeakPolarHBondContact O-CG 3.18Å; D27-L30 PolarHBondContact O-N 2.88Å; D27-R47 IonicContact OD2-CZ 3.74Å; D27-R47 VanDerWaalsContact OD2-CZ 3.3Å; D27-R47 IonicContact OD2-NE 3.43Å; D27-R47 PolarHBondContact OD2-NE 3.15Å; D27-R47 IonicContact OD2-NH2 3.43Å; D27-R47 PolarHBondContact OD2-NH2 3.11Å
28	E	84.4	Confident	88.1	Confident	144 Å²	144	80.3 Å²	80.3	67%	0.673	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20	-176.4	-74.9	-69.1	-174.9	0	0	114	R25 L30	R25-E28 IonicContact CZ-OE2 3.84Å; R25-E28 IonicContact NH1-OE2 3.3Å; R25-E28 PolarHBondContact NH1-OE2 3.07Å; E28-L30 PolarHBondContact O-N 3.38Å
29	N	86.1	Confident	88.2	Confident	131 Å²	131	78.2 Å²	78.2	70%	0.701	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.5	175.9	-56.5	-82.6	0	0	0	113	D27	D27-N29 PolarHBondContact O-N 3.33Å; D27-N29 WeakPolarHBondContact OD1-CB 3.14Å; D27-N29 PolarHBondContact OD1-N 2.92Å; D27-N29 PolarHBondContact OD1-ND2 2.91Å
30	L	87.4	Confident	88.6	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.016	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-79.4	122.6	178.6	-67.4	171.4	0	0	0	112.1	R25 D27 E28 V45 R47 I52	R25-L30 VanDerWaalsContact CD-O 3.3Å; R25-L30 WeakPolarHBondContact CD-O 3.25Å; R25-L30 PolarHBondContact NE-O 3.16Å; D27-L30 HydrophobicContact CB-CD1 3.9Å; D27-L30 HydrophobicContact CB-CG 4Å; D27-L30 VanDerWaalsContact O-CB 3.26Å; D27-L30 WeakPolarHBondContact O-CB 3.45Å; D27-L30 WeakPolarHBondContact O-CG 3.18Å; D27-L30 PolarHBondContact O-N 2.88Å; E28-L30 PolarHBondContact O-N 3.38Å; L30-V45 HydrophobicContact CB-CG1 3.85Å; L30-V45 HydrophobicContact CD1-CG1 4.2Å; L30-V45 HydrophobicContact CG-CG1 4.47Å; L30-R47 HydrophobicContact CD1-CG 4.12Å; L30-R47 HydrophobicContact CD2-CG 3.99Å; L30-I52 HydrophobicContact CD2-CG1 4.46Å; L30-I52 HydrophobicContact CD2-CG2 4.41Å
31	Q	86.3	Confident	88.9	Confident	157 Å²	157	68.4 Å²	68.4	73%	0.734	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-101.4	153.1	170.4	-60.9	-176.5	4.5	0	0	110	P33	Q31-P33 WeakPolarHBondContact O-CD 3.42Å
32	V	85.8	Confident	89.3	Confident	43 Å²	43	62.9 Å²	62.9	26%	0.261	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-61.8	121.1	173.2	-177.6	0	0	0	0	108.2	L23 F34 T42 V45	L23-V32 HydrophobicContact CD2-CG2 4.01Å; V32-F34 VanDerWaalsContact C-N 3.26Å; V32-F34 HydrophobicContact CG1-CD1 3.86Å; V32-F34 HydrophobicContact CG1-CD2 4.4Å; V32-F34 HydrophobicContact CG1-CE1 3.66Å; V32-F34 HydrophobicContact CG1-CE2 4.23Å; V32-F34 HydrophobicContact CG1-CG 4.22Å; V32-F34 HydrophobicContact CG1-CZ 3.86Å; V32-F34 PolarHBondContact O-N 3.39Å; V32-T42 HydrophobicContact CG1-CG2 4.27Å; V32-T42 VanDerWaalsContact CG1-OG1 3.3Å; V32-T42 WeakPolarHBondContact CG1-OG1 3.07Å; V32-T42 HydrophobicContact CG2-CG2 4.1Å; V32-V45 HydrophobicContact CG2-CG2 4.28Å
33	P	83.3	Confident	89.6	Confident	30 Å²	30	56.1 Å²	56.1	20%	0.195	28%	0.276	C	S	.	.	S	Bend	trans	-83	6.4	-169.4	30.1	-33.3	0	0	0	115.1	Q31 I52 A54 K63	Q31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-I52 HydrophobicContact CG-CG2 4.02Å; P33-A54 HydrophobicContact CG-CB 4.15Å; P33-K63 HydrophobicContact CB-CB 4.39Å; P33-K63 HydrophobicContact CB-CD 3.78Å
34	F	86.6	Confident	89.8	Confident	25 Å²	25	55.4 Å²	55.4	11%	0.11	27%	0.271	C	S	.	.	S	Bend	trans	-143.3	166.4	-176.3	61.9	-87.2	0	0	0	111.7	V32 E36 T42 A54 H61	V32-F34 VanDerWaalsContact C-N 3.26Å; V32-F34 HydrophobicContact CG1-CD1 3.86Å; V32-F34 HydrophobicContact CG1-CD2 4.4Å; V32-F34 HydrophobicContact CG1-CE1 3.66Å; V32-F34 HydrophobicContact CG1-CE2 4.23Å; V32-F34 HydrophobicContact CG1-CG 4.22Å; V32-F34 HydrophobicContact CG1-CZ 3.86Å; V32-F34 PolarHBondContact O-N 3.39Å; F34-E36 HydrophobicContact CE2-CG 4.2Å; F34-T42 HydrophobicContact CZ-CG2 4.41Å; F34-T42 WeakPolarHBondContact CZ-OG1 3.34Å; F34-A54 HydrophobicContact CE1-CB 3.81Å; F34-H61 HydrophobicContact CD1-CB 3.69Å; F34-H61 AromaticContact CD1-CD2 3.67Å; F34-H61 AromaticContact CD1-CE1 3.94Å; F34-H61 AromaticContact CD1-CG 3.37Å; F34-H61 AromaticContact CD1-ND1 3.59Å; F34-H61 AromaticContact CD1-NE2 4Å; F34-H61 HydrophobicContact CE1-CB 3.64Å; F34-H61 AromaticContact CE1-CG 3.88Å; F34-H61 AromaticContact CG-ND1 3.81Å; F34-H61 HydrophobicContact CZ-CB 4.46Å
35	L	88.8	Confident	90	Very high	93 Å²	93	51.3 Å²	51.3	49%	0.487	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-86.4	128.7	169.4	-173.9	67.2	0	0	0	111.1	R59 L1015 S1021	L35-R59 PolarHBondContact O-NH2 2.8Å; L35-L1015 HydrophobicContact CD2-CD2 3.83Å; L35-S1021 VanDerWaalsContact CB-CB 3.46Å
36	E	91.4	Very high	90.1	Very high	60 Å²	60	46.2 Å²	46.2	28%	0.28	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-70.1	135.7	175.1	-61.9	-178.7	154.4	0	0	111.4	R20 F34 E40 T42	R20-E36 IonicContact NH1-OE2 2.73Å; R20-E36 PolarHBondContact NH1-OE2 3.06Å; F34-E36 HydrophobicContact CE2-CG 4.2Å; E36-E40 WeakPolarHBondContact CA-OE2 3.44Å; E36-E40 HydrophobicContact CB-CB 4.08Å; E36-E40 HydrophobicContact CB-CG 4.3Å; E36-T42 WeakPolarHBondContact OE1-CB 3.18Å; E36-T42 PolarHBondContact OE1-N 3.36Å; E36-T42 PolarHBondContact OE1-OG1 3.27Å
37	L	92.1	Very high	90.1	Very high	27 Å²	27	47.9 Å²	47.9	14%	0.141	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.6	168.4	170.1	-60.4	178.4	0	0	0	111.5	G39 E40 Y58 F128 Y132 L512 G1019	L37-G39 PolarHBondContact O-N 3.16Å; L37-E40 HydrophobicContact CB-CB 4.07Å; L37-E40 PolarHBondContact N-OE2 3.26Å; L37-E40 WeakPolarHBondContact O-CB 3.31Å; L37-E40 PolarHBondContact O-N 3.28Å; L37-Y58 HydrophobicContact CD1-CD1 3.82Å; L37-Y58 HydrophobicContact CD1-CE1 3.62Å; L37-F128 HydrophobicContact CB-CZ 4.39Å; L37-F128 HydrophobicContact CD1-CE1 4.28Å; L37-Y132 HydrophobicContact CB-CD2 4.4Å; L37-Y132 HydrophobicContact CB-CE2 4.34Å; L37-L512 HydrophobicContact CD1-CD1 4.03Å; L37-G1019 WeakPolarHBondContact CD2-O 3.34Å
38	H	90.7	Very high	90.3	Very high	60 Å²	60	46.2 Å²	46.2	28%	0.278	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	127.3	169.6	-67.5	-70.2	0	0	0	110.4	E40 F128 Y132 W135	H38-E40 PolarHBondContact O-N 3.3Å; H38-F128 WeakPolarHBondContact O-CZ 3.35Å; H38-Y132 HydrophobicContact CB-CD2 4.33Å; H38-Y132 HydrophobicContact CB-CE2 4.35Å; H38-Y132 WeakPolarHBondContact O-CA 3.43Å; H38-Y132 WeakPolarHBondContact O-CD2 3.39Å; H38-W135 HydrophobicContact CB-CB 4.14Å
39	G	91.4	Very high	90.5	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-5.5	-175.2	0	0	0	0	0	115.6	L37 N57 W135	L37-G39 PolarHBondContact O-N 3.16Å; G39-N57 PolarHBondContact O-ND2 3.48Å; G39-W135 VanDerWaalsContact N-CB 3.34Å
40	E	94.6	Very high	90.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.			trans	-76.8	144.2	172.1	-170.2	173.4	-159.9	0	0	110.8	R20 E36 L37 H38 S56 N57 R59 F128	R20-E40 PolarHBondContact NH1-O 2.86Å; E36-E40 WeakPolarHBondContact CA-OE2 3.44Å; E36-E40 HydrophobicContact CB-CB 4.08Å; E36-E40 HydrophobicContact CB-CG 4.3Å; L37-E40 HydrophobicContact CB-CB 4.07Å; L37-E40 PolarHBondContact N-OE2 3.26Å; L37-E40 WeakPolarHBondContact O-CB 3.31Å; L37-E40 PolarHBondContact O-N 3.28Å; H38-E40 PolarHBondContact O-N 3.3Å; E40-S56 VanDerWaalsContact OE1-CB 3.26Å; E40-S56 WeakPolarHBondContact OE1-CB 3.12Å; E40-S56 PolarHBondContact OE1-OG 3.36Å; E40-N57 VanDerWaalsContact CA-OD1 3.29Å; E40-N57 WeakPolarHBondContact CA-OD1 3.43Å; E40-R59 WeakPolarHBondContact OE1-CG 3.46Å; E40-R59 IonicContact OE1-CZ 2.88Å; E40-R59 IonicContact OE1-NE 3.35Å; E40-R59 PolarHBondContact OE1-NE 3.18Å; E40-R59 IonicContact OE1-NH2 2.71Å; E40-R59 IonicContact OE2-CZ 3.1Å; E40-R59 IonicContact OE2-NE 2.83Å; E40-R59 PolarHBondContact OE2-NE 2.9Å; E40-R59 IonicContact OE2-NH2 3.21Å; E40-R59 PolarHBondContact OE2-NH2 3.18Å; E40-F128 HydrophobicContact CB-CE2 4.08Å; E40-F128 HydrophobicContact CB-CZ 3.83Å
41	S	93.9	Very high	90.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	21%	0.211	C	C	.	.			trans	-146.3	130	168.7	62.3	0	0	0	0	110.2	E43 S56 N57	S41-E43 PolarHBondContact O-N 2.57Å; S41-S56 WeakPolarHBondContact O-CA 3.45Å; S41-S56 WeakPolarHBondContact O-CB 3.35Å; S41-N57 PolarHBondContact N-OD1 3Å; S41-N57 PolarHBondContact O-N 2.91Å; S41-N57 PolarHBondContact O-OD1 3.22Å
42	T	94.6	Very high	91	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119	178.1	-49.4	0	0	0	0	110.3	L23 V32 F34 E36 V45 A54	L23-T42 WeakPolarHBondContact CA-O 3.47Å; L23-T42 HydrophobicContact CD1-CG2 4.06Å; L23-T42 WeakPolarHBondContact CD1-O 3.38Å; V32-T42 HydrophobicContact CG1-CG2 4.27Å; V32-T42 VanDerWaalsContact CG1-OG1 3.3Å; V32-T42 WeakPolarHBondContact CG1-OG1 3.07Å; V32-T42 HydrophobicContact CG2-CG2 4.1Å; F34-T42 HydrophobicContact CZ-CG2 4.41Å; F34-T42 WeakPolarHBondContact CZ-OG1 3.34Å; E36-T42 WeakPolarHBondContact OE1-CB 3.18Å; E36-T42 PolarHBondContact OE1-N 3.36Å; E36-T42 PolarHBondContact OE1-OG1 3.27Å; T42-V45 HydrophobicContact CG2-CG2 3.56Å; T42-A54 HydrophobicContact CG2-CB 4.34Å
43	E	94.3	Very high	91.4	Very high	31 Å²	31	35.8 Å²	35.8	15%	0.145	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-40.8	-176.1	-53.9	-170.3	-162.8	0	0	111.5	K21 I24 S41 L55 N57	K21-E43 HydrophobicContact CB-CG 4.38Å; K21-E43 VanDerWaalsContact CD-CD 3.42Å; K21-E43 HydrophobicContact CD-CG 4.03Å; K21-E43 VanDerWaalsContact CD-OE2 3.27Å; K21-E43 WeakPolarHBondContact CD-OE2 3.27Å; K21-E43 IonicContact NZ-OE1 3.9Å; K21-E43 PolarHBondContact NZ-OE1 3.23Å; K21-E43 IonicContact NZ-OE2 2.83Å; K21-E43 PolarHBondContact NZ-OE2 3.08Å; I24-E43 WeakPolarHBondContact CB-O 3.46Å; I24-E43 PolarHBondContact N-O 2.9Å; S41-E43 PolarHBondContact O-N 2.57Å; E43-L55 PolarHBondContact N-O 3.25Å; E43-N57 WeakPolarHBondContact OE1-CA 3.48Å; E43-N57 WeakPolarHBondContact OE1-CB 3.35Å
44	F	95.3	Very high	92	Very high	40 Å²	40	34.3 Å²	34.3	18%	0.175	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.6	-177.6	-56.7	-90.3	0	0	0	111.6	I24 A54 L55 W110 R113	I24-F44 HydrophobicContact CB-CD1 3.92Å; I24-F44 HydrophobicContact CB-CE1 4.22Å; I24-F44 HydrophobicContact CD1-CD1 4.22Å; I24-F44 HydrophobicContact CD1-CE1 3.62Å; I24-F44 HydrophobicContact CD1-CZ 4.19Å; I24-F44 HydrophobicContact CG1-CE1 4.49Å; I24-F44 HydrophobicContact CG2-CD1 4.09Å; I24-F44 HydrophobicContact CG2-CE1 4.38Å; I24-F44 CarbonylContact O-C 3.5Å; I24-F44 WeakPolarHBondContact O-CA 3.23Å; F44-A54 CarbonylContact O-C 3.49Å; F44-A54 VanDerWaalsContact O-CA 3.32Å; F44-A54 WeakPolarHBondContact O-CA 3.46Å; F44-L55 HydrophobicContact CB-CB 4.39Å; F44-L55 HydrophobicContact CD2-CD2 3.97Å; F44-L55 HydrophobicContact CD2-CG 4.39Å; F44-L55 PolarHBondContact N-O 2.75Å; F44-L55 VanDerWaalsContact N-O 3.11Å; F44-L55 PolarHBondContact O-N 2.76Å; F44-W110 HydrophobicContact CB-CH2 3.97Å; F44-W110 HydrophobicContact CB-CZ2 4.37Å; F44-R113 HydrophobicContact CE1-CG 4.42Å; F44-R113 HydrophobicContact CE2-CG 4.5Å; F44-R113 HydrophobicContact CZ-CG 4.42Å
45	V	95.5	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.9	168	-175.4	0	0	0	0	110.3	L23 I24 E26 L30 V32 T42 I52 I53 A54	L23-V45 HydrophobicContact CD1-CB 4.44Å; L23-V45 HydrophobicContact CD1-CG2 3.73Å; I24-V45 PolarHBondContact O-N 3.37Å; E26-V45 PolarHBondContact N-O 3.49Å; L30-V45 HydrophobicContact CB-CG1 3.85Å; L30-V45 HydrophobicContact CD1-CG1 4.2Å; L30-V45 HydrophobicContact CG-CG1 4.47Å; V32-V45 HydrophobicContact CG2-CG2 4.28Å; T42-V45 HydrophobicContact CG2-CG2 3.56Å; V45-I52 HydrophobicContact CG1-CG2 3.98Å; V45-I53 WeakPolarHBondContact CA-O 3.44Å; V45-A54 HydrophobicContact CG1-CB 4.37Å; V45-A54 HydrophobicContact CG2-CB 3.9Å
46	G	93.6	Very high	92.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-174	-173.7	0	0	0	0	0	114.2	E26 I53	E26-G46 WeakPolarHBondContact OE2-CA 3.41Å; G46-I53 PolarHBondContact N-O 3.18Å; G46-I53 PolarHBondContact O-N 3.2Å; G46-I53 VanDerWaalsContact O-N 3.1Å
47	R	90.9	Very high	92.9	Very high	105 Å²	105	28.3 Å²	28.3	40%	0.396	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.2	179.3	-64.1	179.5	-174.1	-83.7	3.5	111.5	E26 D27 L30	E26-R47 PolarHBondContact OE2-N 3.05Å; D27-R47 IonicContact OD2-CZ 3.74Å; D27-R47 VanDerWaalsContact OD2-CZ 3.3Å; D27-R47 IonicContact OD2-NE 3.43Å; D27-R47 PolarHBondContact OD2-NE 3.15Å; D27-R47 IonicContact OD2-NH2 3.43Å; D27-R47 PolarHBondContact OD2-NH2 3.11Å; L30-R47 HydrophobicContact CD1-CG 4.12Å; L30-R47 HydrophobicContact CD2-CG 3.99Å
48	A	90	Very high	93	Very high	9 Å²	9	27.9 Å²	27.9	7%	0.074	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	167.1	156.1	0	0	0	0	0	108.8	D50 A51 Q100 F101	A48-D50 VanDerWaalsContact C-N 3.31Å; A48-D50 PolarHBondContact O-N 2.73Å; A48-A51 CarbonylContact C-O 3.57Å; A48-A51 HydrophobicContact CB-CB 4.2Å; A48-A51 PolarHBondContact N-O 3.18Å; A48-A51 PolarHBondContact O-N 2.97Å; A48-A51 VanDerWaalsContact O-O 3.05Å; A48-Q100 WeakPolarHBondContact CA-O 3.29Å; A48-Q100 VanDerWaalsContact CB-O 3.29Å; A48-Q100 WeakPolarHBondContact CB-O 3.49Å; A48-F101 HydrophobicContact CB-CD1 4.47Å; A48-F101 HydrophobicContact CB-CE1 4.32Å
49	E	87.8	Confident	93.3	Very high	113 Å²	113	25.3 Å²	25.3	53%	0.528	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-41	-171.8	-171.2	172.7	-177.2	0	0	113	Q100	E49-Q100 PolarHBondContact N-O 3.21Å; E49-Q100 WeakPolarHBondContact OE2-CG 3.3Å; E49-Q100 PolarHBondContact OE2-NE2 2.86Å
50	D	86.9	Confident	93.5	Very high	86 Å²	86	25.1 Å²	25.1	46%	0.46	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	10.8	179.5	-96.7	-46.4	0	0	0	114.2	A48 F64 K65	A48-D50 VanDerWaalsContact C-N 3.31Å; A48-D50 PolarHBondContact O-N 2.73Å; D50-F64 WeakPolarHBondContact O-CA 3.5Å; D50-K65 WeakPolarHBondContact OD1-CE 3.12Å; D50-K65 IonicContact OD1-NZ 3.12Å; D50-K65 PolarHBondContact OD1-NZ 3.15Å
51	A	91.3	Very high	93.4	Very high	10 Å²	10	25.2 Å²	25.2	8%	0.083	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.1	-174.9	0	0	0	0	0	115.2	A48 I62 K63 F64	A48-A51 CarbonylContact C-O 3.57Å; A48-A51 HydrophobicContact CB-CB 4.2Å; A48-A51 PolarHBondContact N-O 3.18Å; A48-A51 PolarHBondContact O-N 2.97Å; A48-A51 VanDerWaalsContact O-O 3.05Å; A51-I62 HydrophobicContact CB-CG2 3.73Å; A51-K63 CarbonylContact C-O 3.54Å; A51-K63 WeakPolarHBondContact CA-O 3.05Å; A51-K63 WeakPolarHBondContact CB-O 3.34Å; A51-F64 HydrophobicContact CB-CD1 3.7Å; A51-F64 HydrophobicContact CB-CE1 4.01Å; A51-F64 HydrophobicContact CB-CG 4.04Å
52	I	92.4	Very high	93.4	Very high	49 Å²	49	25 Å²	25	25%	0.251	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.8	160.7	-59.7	174.2	0	0	0	107.5	L30 P33 V45 K63	L30-I52 HydrophobicContact CD2-CG1 4.46Å; L30-I52 HydrophobicContact CD2-CG2 4.41Å; P33-I52 HydrophobicContact CG-CG2 4.02Å; V45-I52 HydrophobicContact CG1-CG2 3.98Å; I52-K63 PolarHBondContact N-O 3.18Å; I52-K63 PolarHBondContact O-N 2.93Å
53	I	94.3	Very high	93.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.8	179	-173.7	170	0	0	0	109.5	V45 G46 L60 I62 F101 W110	V45-I53 WeakPolarHBondContact CA-O 3.44Å; G46-I53 PolarHBondContact N-O 3.18Å; G46-I53 PolarHBondContact O-N 3.2Å; G46-I53 VanDerWaalsContact O-N 3.1Å; I53-L60 HydrophobicContact CD1-CD1 4.07Å; I53-L60 HydrophobicContact CG1-CD1 3.77Å; I53-I62 HydrophobicContact CD1-CG1 4.43Å; I53-I62 HydrophobicContact CG1-CG1 4.2Å; I53-F101 HydrophobicContact CD1-CZ 4.02Å; I53-F101 HydrophobicContact CG2-CE1 4.34Å; I53-W110 HydrophobicContact CD1-CD2 4.12Å; I53-W110 HydrophobicContact CD1-CE3 3.72Å; I53-W110 HydrophobicContact CD1-CZ3 4Å; I53-W110 HydrophobicContact CG1-CE3 4.03Å; I53-W110 HydrophobicContact CG1-CH2 4.09Å; I53-W110 HydrophobicContact CG1-CZ3 3.77Å; I53-W110 HydrophobicContact CG2-CD2 4.19Å; I53-W110 HydrophobicContact CG2-CE3 4.48Å; I53-W110 HydrophobicContact CG2-CH2 4.05Å; I53-W110 HydrophobicContact CG2-CZ2 3.73Å; I53-W110 HydrophobicContact CG2-CZ3 4.4Å
54	A	95.3	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.5	-173.5	0	0	0	0	0	110.9	P33 F34 T42 F44 V45 H61	P33-A54 HydrophobicContact CG-CB 4.15Å; F34-A54 HydrophobicContact CE1-CB 3.81Å; T42-A54 HydrophobicContact CG2-CB 4.34Å; F44-A54 CarbonylContact O-C 3.49Å; F44-A54 VanDerWaalsContact O-CA 3.32Å; F44-A54 WeakPolarHBondContact O-CA 3.46Å; V45-A54 HydrophobicContact CG1-CB 4.37Å; V45-A54 HydrophobicContact CG2-CB 3.9Å; A54-H61 HydrophobicContact CB-CB 4.47Å; A54-H61 PolarHBondContact N-O 3.22Å; A54-H61 PolarHBondContact O-N 3.23Å
55	L	96.1	Very high	92.3	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.3	-174.5	170.2	60.9	0	0	0	109.4	E43 F44 L60 L73 W110 R113 A117	E43-L55 PolarHBondContact N-O 3.25Å; F44-L55 HydrophobicContact CB-CB 4.39Å; F44-L55 HydrophobicContact CD2-CD2 3.97Å; F44-L55 HydrophobicContact CD2-CG 4.39Å; F44-L55 PolarHBondContact N-O 2.75Å; F44-L55 VanDerWaalsContact N-O 3.11Å; F44-L55 PolarHBondContact O-N 2.76Å; L55-L60 HydrophobicContact CB-CD1 4.33Å; L55-L73 HydrophobicContact CD1-CD1 4.2Å; L55-L73 HydrophobicContact CD1-CD2 3.58Å; L55-L73 HydrophobicContact CD1-CG 4.41Å; L55-W110 HydrophobicContact CB-CH2 4.23Å; L55-W110 HydrophobicContact CB-CZ3 3.87Å; L55-R113 HydrophobicContact CD2-CB 4.08Å; L55-A117 HydrophobicContact CD1-CB 4.14Å; L55-A117 HydrophobicContact CD2-CB 4.26Å
56	S	95.8	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	176.3	170.9	71.6	0	0	0	0	111.7	E40 S41 Y58 R59 L73	E40-S56 VanDerWaalsContact OE1-CB 3.26Å; E40-S56 WeakPolarHBondContact OE1-CB 3.12Å; E40-S56 PolarHBondContact OE1-OG 3.36Å; S41-S56 WeakPolarHBondContact O-CA 3.45Å; S41-S56 WeakPolarHBondContact O-CB 3.35Å; S56-Y58 PolarHBondContact O-N 3.04Å; S56-Y58 VanDerWaalsContact O-N 3.17Å; S56-Y58 PolarHBondContact OG-N 3.5Å; S56-Y58 VanDerWaalsContact OG-N 3.13Å; S56-R59 PolarHBondContact N-O 3.39Å; S56-R59 WeakPolarHBondContact OG-CG 3.17Å; S56-R59 PolarHBondContact OG-N 3.12Å; S56-R59 PolarHBondContact OG-O 3.19Å; S56-L73 WeakPolarHBondContact O-CD1 3.46Å
57	N	93.7	Very high	91.2	Very high	48 Å²	48	47.6 Å²	47.6	26%	0.257	23%	0.227	S	C	.	.	S	Bend	trans	-65	-3.7	167.8	62.9	-28	0	0	0	114.4	G39 E40 S41 E43	G39-N57 PolarHBondContact O-ND2 3.48Å; E40-N57 VanDerWaalsContact CA-OD1 3.29Å; E40-N57 WeakPolarHBondContact CA-OD1 3.43Å; S41-N57 PolarHBondContact N-OD1 3Å; S41-N57 PolarHBondContact O-N 2.91Å; S41-N57 PolarHBondContact O-OD1 3.22Å; E43-N57 WeakPolarHBondContact OE1-CA 3.48Å; E43-N57 WeakPolarHBondContact OE1-CB 3.35Å
58	Y	95.4	Very high	91	Very high	19 Å²	19	47.2 Å²	47.2	8%	0.075	23%	0.232	C	C	.	.	S	Bend	trans	-117.6	-43	179.2	172.5	-130.8	0	0	0	113.5	L37 S56 P72 L73 F128 S510 L512	L37-Y58 HydrophobicContact CD1-CD1 3.82Å; L37-Y58 HydrophobicContact CD1-CE1 3.62Å; S56-Y58 PolarHBondContact O-N 3.04Å; S56-Y58 VanDerWaalsContact O-N 3.17Å; S56-Y58 PolarHBondContact OG-N 3.5Å; S56-Y58 VanDerWaalsContact OG-N 3.13Å; Y58-P72 HydrophobicContact CE2-CB 4.03Å; Y58-P72 HydrophobicContact CE2-CG 4.45Å; Y58-L73 WeakPolarHBondContact O-CG 3.26Å; Y58-L73 PolarHBondContact O-N 3.04Å; Y58-F128 HydrophobicContact CD1-CD1 4.28Å; Y58-F128 HydrophobicContact CD1-CE1 4.13Å; Y58-F128 HydrophobicContact CD2-CB 3.86Å; Y58-F128 AromaticContact CD2-CD1 3.27Å; Y58-F128 HydrophobicContact CD2-CD1 3.27Å; Y58-F128 AromaticContact CD2-CE1 3.96Å; Y58-F128 HydrophobicContact CD2-CE1 3.96Å; Y58-F128 AromaticContact CD2-CG 3.62Å; Y58-F128 HydrophobicContact CD2-CG 3.62Å; Y58-F128 AromaticContact CE2-CD1 3.91Å; Y58-F128 HydrophobicContact CE2-CD1 3.91Å; Y58-F128 AromaticContact CG-CD1 3.5Å; Y58-F128 HydrophobicContact CG-CD1 3.5Å; Y58-F128 VanDerWaalsContact CG-CD1 3.5Å; Y58-F128 HydrophobicContact CG-CD2 4.39Å; Y58-F128 AromaticContact CG-CE1 3.73Å; Y58-F128 HydrophobicContact CG-CE1 3.73Å; Y58-F128 AromaticContact CG-CG 3.86Å; Y58-F128 HydrophobicContact CG-CG 3.86Å; Y58-F128 HydrophobicContact CG-CZ 4.29Å; Y58-S510 WeakPolarHBondContact CE2-O 3.29Å; Y58-L512 HydrophobicContact CE2-CB 3.96Å; Y58-L512 HydrophobicContact CE2-CD1 4.4Å
59	R	95.4	Very high	90.9	Very high	5 Å²	5	48.6 Å²	48.6	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.3	-167	53.2	175	161.2	177.2	-12.7	113.2	L35 E40 S56 N70 V71 M1020	L35-R59 PolarHBondContact O-NH2 2.8Å; E40-R59 WeakPolarHBondContact OE1-CG 3.46Å; E40-R59 IonicContact OE1-CZ 2.88Å; E40-R59 IonicContact OE1-NE 3.35Å; E40-R59 PolarHBondContact OE1-NE 3.18Å; E40-R59 IonicContact OE1-NH2 2.71Å; E40-R59 IonicContact OE2-CZ 3.1Å; E40-R59 IonicContact OE2-NE 2.83Å; E40-R59 PolarHBondContact OE2-NE 2.9Å; E40-R59 IonicContact OE2-NH2 3.21Å; E40-R59 PolarHBondContact OE2-NH2 3.18Å; S56-R59 PolarHBondContact N-O 3.39Å; S56-R59 WeakPolarHBondContact OG-CG 3.17Å; S56-R59 PolarHBondContact OG-N 3.12Å; S56-R59 PolarHBondContact OG-O 3.19Å; R59-N70 PolarHBondContact NH1-OD1 3.15Å; R59-V71 CarbonylContact C-O 3.59Å; R59-V71 WeakPolarHBondContact CA-O 3.4Å; R59-V71 VanDerWaalsContact CB-O 3.26Å; R59-V71 WeakPolarHBondContact CB-O 3.29Å; R59-M1020 PolarHBondContact NH1-SD 2.9Å
60	L	95.7	Very high	91.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.1	154.9	-173.8	63.5	0	0	0	109.4	I53 L55 I62 V71 L89 W110 L114	I53-L60 HydrophobicContact CD1-CD1 4.07Å; I53-L60 HydrophobicContact CG1-CD1 3.77Å; L55-L60 HydrophobicContact CB-CD1 4.33Å; L60-I62 HydrophobicContact CD2-CD1 3.92Å; L60-I62 HydrophobicContact CD2-CG1 4.2Å; L60-I62 HydrophobicContact CG-CD1 4.31Å; L60-I62 HydrophobicContact CG-CG1 4.13Å; L60-V71 HydrophobicContact CB-CB 4.46Å; L60-V71 PolarHBondContact N-O 2.84Å; L60-V71 PolarHBondContact O-N 2.59Å; L60-L89 HydrophobicContact CD2-CD2 3.34Å; L60-W110 HydrophobicContact CD1-CZ3 4.24Å; L60-L114 HydrophobicContact CD1-CD2 3.9Å; L60-L114 HydrophobicContact CD2-CD1 4.44Å; L60-L114 HydrophobicContact CD2-CD2 3.88Å; L60-L114 HydrophobicContact CG-CD2 4.32Å
61	H	94.1	Very high	91.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.5	174.7	179.8	102.9	0	0	0	109.4	F34 A54 L68 V69 N70	F34-H61 HydrophobicContact CD1-CB 3.69Å; F34-H61 AromaticContact CD1-CD2 3.67Å; F34-H61 AromaticContact CD1-CE1 3.94Å; F34-H61 AromaticContact CD1-CG 3.37Å; F34-H61 AromaticContact CD1-ND1 3.59Å; F34-H61 AromaticContact CD1-NE2 4Å; F34-H61 HydrophobicContact CE1-CB 3.64Å; F34-H61 AromaticContact CE1-CG 3.88Å; F34-H61 AromaticContact CG-ND1 3.81Å; F34-H61 HydrophobicContact CZ-CB 4.46Å; A54-H61 HydrophobicContact CB-CB 4.47Å; A54-H61 PolarHBondContact N-O 3.22Å; A54-H61 PolarHBondContact O-N 3.23Å; H61-L68 VanDerWaalsContact CE1-CD1 3.42Å; H61-L68 WeakPolarHBondContact CE1-CD1 3.37Å; H61-L68 VanDerWaalsContact NE2-CD1 3.34Å; H61-L68 WeakPolarHBondContact NE2-CD1 3.35Å; H61-V69 WeakPolarHBondContact CA-O 3.34Å; H61-N70 PolarHBondContact ND1-OD1 2.95Å
62	I	92.3	Very high	91.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.4	179.9	-52.8	150.1	0	0	0	108	A51 I53 L60 F64 V69 I97 C99	A51-I62 HydrophobicContact CB-CG2 3.73Å; I53-I62 HydrophobicContact CD1-CG1 4.43Å; I53-I62 HydrophobicContact CG1-CG1 4.2Å; L60-I62 HydrophobicContact CD2-CD1 3.92Å; L60-I62 HydrophobicContact CD2-CG1 4.2Å; L60-I62 HydrophobicContact CG-CD1 4.31Å; L60-I62 HydrophobicContact CG-CG1 4.13Å; I62-F64 HydrophobicContact CB-CE2 4.2Å; I62-F64 HydrophobicContact CG2-CD2 3.96Å; I62-F64 HydrophobicContact CG2-CE1 4.31Å; I62-F64 HydrophobicContact CG2-CE2 3.44Å; I62-F64 VanDerWaalsContact CG2-CE2 3.44Å; I62-F64 HydrophobicContact CG2-CZ 3.64Å; I62-V69 HydrophobicContact CB-CB 4.35Å; I62-V69 PolarHBondContact N-O 3.39Å; I62-V69 PolarHBondContact O-N 2.97Å; I62-I97 HydrophobicContact CD1-CG2 3.77Å; I62-C99 VanDerWaalsContact CD1-SG 3.53Å
63	K	91.1	Very high	91.7	Very high	86 Å²	86	40.5 Å²	40.5	37%	0.374	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	99.6	178.8	-179.6	170.4	-178.2	171.5	0	109.8	P33 A51 I52 L68	P33-K63 HydrophobicContact CB-CB 4.39Å; P33-K63 HydrophobicContact CB-CD 3.78Å; A51-K63 CarbonylContact C-O 3.54Å; A51-K63 WeakPolarHBondContact CA-O 3.05Å; A51-K63 WeakPolarHBondContact CB-O 3.34Å; I52-K63 PolarHBondContact N-O 3.18Å; I52-K63 PolarHBondContact O-N 2.93Å; K63-L68 HydrophobicContact CB-CD1 3.72Å; K63-L68 HydrophobicContact CD-CD1 4.24Å; K63-L68 HydrophobicContact CG-CD1 3.82Å
64	F	87.3	Confident	91.7	Very high	59 Å²	59	41.7 Å²	41.7	26%	0.259	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	177.6	170.1	-60.6	-89	0	0	0	110.4	D50 A51 I62 E66 S67 V69	D50-F64 WeakPolarHBondContact O-CA 3.5Å; A51-F64 HydrophobicContact CB-CD1 3.7Å; A51-F64 HydrophobicContact CB-CE1 4.01Å; A51-F64 HydrophobicContact CB-CG 4.04Å; I62-F64 HydrophobicContact CB-CE2 4.2Å; I62-F64 HydrophobicContact CG2-CD2 3.96Å; I62-F64 HydrophobicContact CG2-CE1 4.31Å; I62-F64 HydrophobicContact CG2-CE2 3.44Å; I62-F64 VanDerWaalsContact CG2-CE2 3.44Å; I62-F64 HydrophobicContact CG2-CZ 3.64Å; F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 3.2Å; F64-S67 WeakPolarHBondContact CD2-OG 3.16Å; F64-S67 PolarHBondContact N-O 3.39Å; F64-V69 HydrophobicContact CD2-CG2 4.4Å; F64-V69 HydrophobicContact CE2-CG2 3.95Å
65	K	83.6	Confident	91.6	Very high	171 Å²	171	42.1 Å²	42.1	74%	0.743	21%	0.208	S	C	*	.	S	Bend	trans	-59	-39.6	175.5	-71	168.3	175.8	163.9	0	113.6	D50	D50-K65 WeakPolarHBondContact OD1-CE 3.12Å; D50-K65 IonicContact OD1-NZ 3.12Å; D50-K65 PolarHBondContact OD1-NZ 3.15Å
66	E	81.6	Confident	91.6	Very high	178 Å²	178	42.2 Å²	42.2	83%	0.832	21%	0.209	S	C	*	.	S	Bend	trans	-124.3	-5.6	-173.1	-61.2	-173.7	176.8	0	0	114.1	F64	F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 3.2Å
67	S	83.7	Confident	91.4	Very high	56 Å²	56	45.4 Å²	45.4	39%	0.392	22%	0.224	S	C	.	.			trans	-140.9	160	-175.4	68	0	0	0	0	113	F64	F64-S67 WeakPolarHBondContact CD2-OG 3.16Å; F64-S67 PolarHBondContact N-O 3.39Å
68	L	86.4	Confident	91.3	Very high	96 Å²	96	44.6 Å²	44.6	50%	0.503	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.6	-174.8	-161.6	71.2	0	0	0	109.6	H61 K63	H61-L68 VanDerWaalsContact CE1-CD1 3.42Å; H61-L68 WeakPolarHBondContact CE1-CD1 3.37Å; H61-L68 VanDerWaalsContact NE2-CD1 3.34Å; H61-L68 WeakPolarHBondContact NE2-CD1 3.35Å; K63-L68 HydrophobicContact CB-CD1 3.72Å; K63-L68 HydrophobicContact CD-CD1 4.24Å; K63-L68 HydrophobicContact CG-CD1 3.82Å
69	V	88.4	Confident	91.3	Very high	38 Å²	38	44 Å²	44	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.4	178.4	-171.1	0	0	0	0	109.1	H61 I62 F64 V71 I97	H61-V69 WeakPolarHBondContact CA-O 3.34Å; I62-V69 HydrophobicContact CB-CB 4.35Å; I62-V69 PolarHBondContact N-O 3.39Å; I62-V69 PolarHBondContact O-N 2.97Å; F64-V69 HydrophobicContact CD2-CG2 4.4Å; F64-V69 HydrophobicContact CE2-CG2 3.95Å; V69-V71 HydrophobicContact CG1-CG2 3.81Å; V69-I97 HydrophobicContact CG1-CD1 3.64Å; V69-I97 HydrophobicContact CG1-CG1 4.25Å
70	N	91.4	Very high	91.2	Very high	55 Å²	55	46.8 Å²	46.8	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126	172.6	-68.6	-91.9	0	0	0	107.9	R59 H61	R59-N70 PolarHBondContact NH1-OD1 3.15Å; H61-N70 PolarHBondContact ND1-OD1 2.95Å
71	V	93.8	Very high	90.9	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	108.4	-178.4	-159.3	0	0	0	0	108.7	R59 L60 V69 L73 L75 I76 I97	R59-V71 CarbonylContact C-O 3.59Å; R59-V71 WeakPolarHBondContact CA-O 3.4Å; R59-V71 VanDerWaalsContact CB-O 3.26Å; R59-V71 WeakPolarHBondContact CB-O 3.29Å; L60-V71 HydrophobicContact CB-CB 4.46Å; L60-V71 PolarHBondContact N-O 2.84Å; L60-V71 PolarHBondContact O-N 2.59Å; V69-V71 HydrophobicContact CG1-CG2 3.81Å; V71-L73 PolarHBondContact O-N 3.2Å; V71-L75 HydrophobicContact CG1-CB 4.45Å; V71-L75 HydrophobicContact CG1-CD2 4.18Å; V71-L75 HydrophobicContact CG1-CG 4.38Å; V71-I76 HydrophobicContact CG1-CD1 4.26Å; V71-I76 HydrophobicContact CG1-CG1 3.67Å; V71-I97 HydrophobicContact CG2-CD1 3.39Å
72	P	95.5	Very high	90.3	Very high	18 Å²	18	57.1 Å²	57.1	12%	0.117	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	138.4	168.3	-24.6	34.9	0	0	0	110.2	Y58 Q74 L75	Y58-P72 HydrophobicContact CE2-CB 4.03Å; Y58-P72 HydrophobicContact CE2-CG 4.45Å; P72-Q74 PolarHBondContact O-N 2.98Å; P72-L75 HydrophobicContact CB-CB 4.24Å; P72-L75 VanDerWaalsContact O-CB 3.31Å; P72-L75 WeakPolarHBondContact O-CB 3.34Å; P72-L75 PolarHBondContact O-N 3.41Å
73	L	95.1	Very high	89.8	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.063	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-60.3	-37.7	-174	-67.7	172.1	0	0	0	112.2	L55 S56 Y58 V71 L75 I76 A117 I118	L55-L73 HydrophobicContact CD1-CD1 4.2Å; L55-L73 HydrophobicContact CD1-CD2 3.58Å; L55-L73 HydrophobicContact CD1-CG 4.41Å; S56-L73 WeakPolarHBondContact O-CD1 3.46Å; Y58-L73 WeakPolarHBondContact O-CG 3.26Å; Y58-L73 PolarHBondContact O-N 3.04Å; V71-L73 PolarHBondContact O-N 3.2Å; L73-L75 PolarHBondContact O-N 2.81Å; L73-I76 HydrophobicContact CD2-CD1 4.23Å; L73-I76 WeakPolarHBondContact O-CB 3.47Å; L73-I76 PolarHBondContact O-N 3.2Å; L73-I76 VanDerWaalsContact O-N 3.1Å; L73-A117 HydrophobicContact CD1-CB 4.01Å; L73-A117 HydrophobicContact CD2-CB 4.09Å; L73-I118 HydrophobicContact CD2-CG2 4.35Å
74	Q	93.5	Very high	89.7	Confident	26 Å²	26	61.3 Å²	61.3	12%	0.121	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-75.2	-6	178.5	-59.9	-60.3	-30.4	0	0	113.8	P72 K92 L127 Y509 C511	P72-Q74 PolarHBondContact O-N 2.98Å; Q74-K92 WeakPolarHBondContact O-CD 3.47Å; Q74-K92 VanDerWaalsContact O-CE 3.23Å; Q74-K92 WeakPolarHBondContact O-CE 3.31Å; Q74-K92 PolarHBondContact O-NZ 2.69Å; Q74-L127 HydrophobicContact CG-CD2 3.96Å; Q74-Y509 CarbonylContact C-O 3.59Å; Q74-Y509 WeakPolarHBondContact CB-O 3.39Å; Q74-C511 HydrophobicContact CB-CB 4.16Å; Q74-C511 HydrophobicContact CG-CB 4.02Å
75	L	94.3	Very high	89.9	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.047	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-83.9	-18.5	167.5	176	63.5	0	0	0	112.4	V71 P72 L73 C91 K92 D93 Y509	V71-L75 HydrophobicContact CG1-CB 4.45Å; V71-L75 HydrophobicContact CG1-CD2 4.18Å; V71-L75 HydrophobicContact CG1-CG 4.38Å; P72-L75 HydrophobicContact CB-CB 4.24Å; P72-L75 VanDerWaalsContact O-CB 3.31Å; P72-L75 WeakPolarHBondContact O-CB 3.34Å; P72-L75 PolarHBondContact O-N 3.41Å; L73-L75 PolarHBondContact O-N 2.81Å; L75-C91 HydrophobicContact CG-CB 4.32Å; L75-C91 WeakPolarHBondContact O-CA 3.18Å; L75-K92 HydrophobicContact CD1-CB 4.16Å; L75-K92 WeakPolarHBondContact O-CG 3.27Å; L75-K92 PolarHBondContact O-N 2.7Å; L75-D93 HydrophobicContact CD1-CB 3.83Å; L75-Y509 HydrophobicContact CD1-CD2 3.91Å; L75-Y509 HydrophobicContact CD1-CG 3.97Å; L75-Y509 PolarHBondContact N-O 2.72Å
76	I	94.6	Very high	90.4	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	138.3	176.4	-53.6	170.1	0	0	0	109	V71 L73 V79 L89 K92 I118	V71-I76 HydrophobicContact CG1-CD1 4.26Å; V71-I76 HydrophobicContact CG1-CG1 3.67Å; L73-I76 HydrophobicContact CD2-CD1 4.23Å; L73-I76 WeakPolarHBondContact O-CB 3.47Å; L73-I76 PolarHBondContact O-N 3.2Å; L73-I76 VanDerWaalsContact O-N 3.1Å; I76-V79 HydrophobicContact CG2-CG2 3.72Å; I76-L89 HydrophobicContact CD1-CD2 4.21Å; I76-K92 WeakPolarHBondContact O-CE 3.48Å; I76-I118 HydrophobicContact CB-CG2 3.85Å; I76-I118 HydrophobicContact CD1-CG2 3.85Å; I76-I118 HydrophobicContact CG1-CG2 4.39Å; I76-I118 HydrophobicContact CG2-CD1 3.97Å; I76-I118 HydrophobicContact CG2-CG2 4.07Å
77	E	92.1	Very high	90.9	Very high	68 Å²	68	47.8 Å²	47.8	32%	0.318	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-43.7	-179.2	-168.6	178.3	128.2	0	0	112	T90 K92 R363	E77-T90 WeakPolarHBondContact CB-O 3.46Å; E77-T90 PolarHBondContact N-O 3.25Å; E77-K92 HydrophobicContact CB-CG 3.92Å; E77-K92 HydrophobicContact CG-CG 4.37Å; E77-R363 IonicContact OE1-CZ 3.07Å; E77-R363 IonicContact OE1-NH1 2.88Å; E77-R363 PolarHBondContact OE1-NH1 2.84Å; E77-R363 IonicContact OE1-NH2 3.57Å; E77-R363 IonicContact OE2-CZ 2.69Å; E77-R363 VanDerWaalsContact OE2-CZ 3.32Å; E77-R363 IonicContact OE2-NH1 3.58Å; E77-R363 PolarHBondContact OE2-NH1 3.3Å; E77-R363 VanDerWaalsContact OE2-NH1 3.1Å; E77-R363 IonicContact OE2-NH2 2.72Å; E77-R363 PolarHBondContact OE2-NH2 2.98Å
78	S	92.6	Very high	91.3	Very high	30 Å²	30	46.4 Å²	46.4	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.8	171.7	74.3	0	0	0	0	111.2	E80 T90	S78-E80 PolarHBondContact OG-OE1 3.11Å; S78-T90 PolarHBondContact N-O 2.67Å; S78-T90 PolarHBondContact O-N 2.82Å; S78-T90 VanDerWaalsContact OG-CB 3.31Å; S78-T90 WeakPolarHBondContact OG-CB 3.31Å; S78-T90 PolarHBondContact OG-OG1 3.14Å
79	V	94.8	Very high	91.7	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.7	165.3	-177.7	0	0	0	0	109	I76 H88 L89 L111 L114 N115 I118	I76-V79 HydrophobicContact CG2-CG2 3.72Å; V79-H88 WeakPolarHBondContact CA-O 3.49Å; V79-L89 HydrophobicContact CG1-CG 4.15Å; V79-L89 HydrophobicContact CG2-CB 4.37Å; V79-L89 HydrophobicContact CG2-CD2 4.02Å; V79-L89 HydrophobicContact CG2-CG 3.93Å; V79-L111 HydrophobicContact CG1-CD1 3.98Å; V79-L111 WeakPolarHBondContact O-CD1 3.37Å; V79-L114 HydrophobicContact CB-CB 4.42Å; V79-L114 HydrophobicContact CG1-CB 4.26Å; V79-L114 HydrophobicContact CG1-CD1 3.97Å; V79-L114 HydrophobicContact CG2-CB 4.09Å; V79-L114 HydrophobicContact CG2-CD1 4.48Å; V79-N115 PolarHBondContact O-ND2 3.29Å; V79-I118 HydrophobicContact CG2-CD1 4.19Å
80	E	92.9	Very high	91.9	Very high	63 Å²	63	40.9 Å²	40.9	29%	0.294	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.1	-173.7	-70	162.3	-142	0	0	110.7	S78 R82 L87 H88	S78-E80 PolarHBondContact OG-OE1 3.11Å; E80-R82 HydrophobicContact CB-CG 4.27Å; E80-R82 IonicContact OE2-CZ 2.69Å; E80-R82 IonicContact OE2-NE 3.19Å; E80-R82 PolarHBondContact OE2-NE 3.27Å; E80-R82 IonicContact OE2-NH2 2.59Å; E80-R82 PolarHBondContact OE2-NH2 2.86Å; E80-L87 CarbonylContact O-C 3.46Å; E80-L87 WeakPolarHBondContact O-CA 3.37Å; E80-H88 PolarHBondContact N-O 2.88Å; E80-H88 PolarHBondContact O-N 2.78Å
81	C	89.1	Confident	92	Very high	44 Å²	44	38.3 Å²	38.3	30%	0.297	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	104.8	170	-162	0	0	0	0	107.1	D83 L87 C107 Q108 L111	C81-D83 PolarHBondContact SG-O 2.91Å; C81-L87 HydrophobicContact CB-CD2 4.08Å; C81-C107 VanDerWaalsContact SG-SG 3.61Å; C81-Q108 PolarHBondContact SG-NE2 3.31Å; C81-L111 HydrophobicContact CB-CD1 4.42Å; C81-L111 HydrophobicContact CB-CD2 4Å
82	R	81.3	Confident	92	Very high	174 Å²	174	38.8 Å²	38.8	66%	0.657	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	-17.9	-175.6	-69.3	-161.9	170	-139.7	-1.2	113.9	E80 Q86 H88	E80-R82 HydrophobicContact CB-CG 4.27Å; E80-R82 IonicContact OE2-CZ 2.69Å; E80-R82 IonicContact OE2-NE 3.19Å; E80-R82 PolarHBondContact OE2-NE 3.27Å; E80-R82 IonicContact OE2-NH2 2.59Å; E80-R82 PolarHBondContact OE2-NH2 2.86Å; R82-Q86 PolarHBondContact N-O 3.2Å; R82-H88 HydrophobicContact CG-CB 4.43Å
83	D	82.7	Confident	91.8	Very high	86 Å²	86	38.1 Å²	38.1	46%	0.46	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.8	161.8	-172.8	2.1	0	0	0	106.7	C81 F85 Q86	C81-D83 PolarHBondContact SG-O 2.91Å; D83-F85 PolarHBondContact O-N 2.91Å; D83-Q86 HydrophobicContact CB-CB 3.93Å; D83-Q86 PolarHBondContact O-N 3.41Å
84	I	88.6	Confident	91.6	Very high	89 Å²	89	37.6 Å²	37.6	46%	0.456	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.2	-179.3	50.7	166.9	0	0	0	113.1	F104 C107	I84-F104 HydrophobicContact CB-CD2 3.86Å; I84-F104 HydrophobicContact CB-CE2 4.49Å; I84-F104 HydrophobicContact CG2-CD2 4.12Å; I84-F104 HydrophobicContact CG2-CE2 4.28Å; I84-F104 WeakPolarHBondContact O-CD2 3.48Å; I84-C107 WeakPolarHBondContact O-CB 3.42Å
85	F	92.2	Very high	91.4	Very high	80 Å²	80	38.9 Å²	38.9	35%	0.351	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	1.8	176.8	-55.5	-59.2	0	0	0	114.1	D83 Q100 F101 F104	D83-F85 PolarHBondContact O-N 2.91Å; F85-Q100 CarbonylContact O-C 3.46Å; F85-Q100 WeakPolarHBondContact O-CA 3.33Å; F85-F101 PolarHBondContact O-N 3.25Å; F85-F104 HydrophobicContact CE1-CB 4.16Å
86	Q	92.8	Very high	91.2	Very high	44 Å²	44	40.3 Å²	40.3	21%	0.206	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.2	-170.2	-158.2	179	93.3	0	0	114.3	R82 D83 H88 C99 Q100	R82-Q86 PolarHBondContact N-O 3.2Å; D83-Q86 HydrophobicContact CB-CB 3.93Å; D83-Q86 PolarHBondContact O-N 3.41Å; Q86-H88 PolarHBondContact OE1-NE2 2.99Å; Q86-C99 WeakPolarHBondContact CA-O 3.47Å; Q86-Q100 VanDerWaalsContact NE2-OE1 3.09Å
87	L	93.3	Very high	91	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135	170.4	-59.1	-174.5	0	0	0	111.1	E80 C81 L89 R98 C99 F101 C107 W110 L111 L114	E80-L87 CarbonylContact O-C 3.46Å; E80-L87 WeakPolarHBondContact O-CA 3.37Å; C81-L87 HydrophobicContact CB-CD2 4.08Å; L87-L89 HydrophobicContact CB-CD1 4.38Å; L87-R98 WeakPolarHBondContact O-CA 3.44Å; L87-C99 PolarHBondContact N-O 2.87Å; L87-C99 PolarHBondContact O-N 3.11Å; L87-F101 HydrophobicContact CB-CE2 4.23Å; L87-F101 HydrophobicContact CD1-CE2 3.6Å; L87-F101 HydrophobicContact CD1-CZ 3.99Å; L87-F101 HydrophobicContact CG-CD2 4.26Å; L87-F101 HydrophobicContact CG-CE2 3.68Å; L87-C107 WeakPolarHBondContact CD2-SG 3.4Å; L87-W110 HydrophobicContact CD1-CB 3.86Å; L87-L111 HydrophobicContact CD2-CB 3.84Å; L87-L111 HydrophobicContact CD2-CD1 4.02Å; L87-L111 HydrophobicContact CD2-CG 4.45Å; L87-L114 HydrophobicContact CD1-CD1 4.1Å
88	H	92.8	Very high	90.9	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.12	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.2	170.8	-73	-136.3	0	0	0	107.7	V79 E80 R82 Q86 I97 R98	V79-H88 WeakPolarHBondContact CA-O 3.49Å; E80-H88 PolarHBondContact N-O 2.88Å; E80-H88 PolarHBondContact O-N 2.78Å; R82-H88 HydrophobicContact CG-CB 4.43Å; Q86-H88 PolarHBondContact OE1-NE2 2.99Å; H88-I97 WeakPolarHBondContact CA-O 3.45Å; H88-R98 PolarHBondContact CE1-NE 3.3Å; H88-R98 VanDerWaalsContact CE1-NE 3.31Å
89	L	93.8	Very high	90.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.6	175.9	-59.2	89.1	0	0	0	108.6	L60 I76 V79 L87 V96 I97 L114	L60-L89 HydrophobicContact CD2-CD2 3.34Å; I76-L89 HydrophobicContact CD1-CD2 4.21Å; V79-L89 HydrophobicContact CG1-CG 4.15Å; V79-L89 HydrophobicContact CG2-CB 4.37Å; V79-L89 HydrophobicContact CG2-CD2 4.02Å; V79-L89 HydrophobicContact CG2-CG 3.93Å; L87-L89 HydrophobicContact CB-CD1 4.38Å; L89-V96 CarbonylContact O-C 3.25Å; L89-V96 VanDerWaalsContact O-CA 3.29Å; L89-V96 WeakPolarHBondContact O-CA 3.49Å; L89-I97 HydrophobicContact CB-CB 4.36Å; L89-I97 HydrophobicContact CD1-CG2 4.48Å; L89-I97 PolarHBondContact N-O 2.6Å; L89-I97 PolarHBondContact O-N 3.25Å; L89-L114 HydrophobicContact CD2-CD1 4Å
90	T	93.4	Very high	90.7	Very high	18 Å²	18	46 Å²	46	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.2	-179.6	-52.8	0	0	0	0	109.1	E77 S78 V96	E77-T90 WeakPolarHBondContact CB-O 3.46Å; E77-T90 PolarHBondContact N-O 3.25Å; S78-T90 PolarHBondContact N-O 2.67Å; S78-T90 PolarHBondContact O-N 2.82Å; S78-T90 VanDerWaalsContact OG-CB 3.31Å; S78-T90 WeakPolarHBondContact OG-CB 3.31Å; S78-T90 PolarHBondContact OG-OG1 3.14Å; T90-V96 HydrophobicContact CG2-CG2 4.42Å
91	C	93.7	Very high	90.7	Very high	1 Å²	1	43 Å²	43	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147	-176.7	-60.9	0	0	0	0	113.2	L75 D93 C94 K95 R363	L75-C91 HydrophobicContact CG-CB 4.32Å; L75-C91 WeakPolarHBondContact O-CA 3.18Å; C91-D93 WeakPolarHBondContact CB-OD1 3.22Å; C91-D93 PolarHBondContact O-N 3.19Å; C91-C94 PolarHBondContact O-N 3.45Å; C91-K95 HydrophobicContact CB-CB 4.18Å; C91-K95 WeakPolarHBondContact CB-O 3.26Å; C91-K95 PolarHBondContact N-O 3.45Å; C91-R363 PolarHBondContact O-NE 3.23Å; C91-R363 PolarHBondContact O-NH2 2.8Å
92	K	92.9	Very high	90.8	Very high	13 Å²	13	44.5 Å²	44.5	6%	0.057	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.3	-178.7	-59.8	173.4	-174.4	175.4	0	112.8	Q74 L75 I76 E77 F359 C460 G461 Y509	Q74-K92 WeakPolarHBondContact O-CD 3.47Å; Q74-K92 VanDerWaalsContact O-CE 3.23Å; Q74-K92 WeakPolarHBondContact O-CE 3.31Å; Q74-K92 PolarHBondContact O-NZ 2.69Å; L75-K92 HydrophobicContact CD1-CB 4.16Å; L75-K92 WeakPolarHBondContact O-CG 3.27Å; L75-K92 PolarHBondContact O-N 2.7Å; I76-K92 WeakPolarHBondContact O-CE 3.48Å; E77-K92 HydrophobicContact CB-CG 3.92Å; E77-K92 HydrophobicContact CG-CG 4.37Å; K92-F359 WeakPolarHBondContact O-CE1 3.22Å; K92-C460 WeakPolarHBondContact CD-O 3.29Å; K92-C460 WeakPolarHBondContact CE-O 3.31Å; K92-C460 PolarHBondContact NZ-O 3.05Å; K92-G461 PolarHBondContact NZ-O 2.84Å; K92-Y509 HydrophobicContact CB-CD1 3.8Å; K92-Y509 HydrophobicContact CB-CD2 4.38Å; K92-Y509 HydrophobicContact CB-CE1 3.89Å; K92-Y509 HydrophobicContact CB-CE2 4.46Å; K92-Y509 HydrophobicContact CB-CG 4.07Å; K92-Y509 HydrophobicContact CD-CD1 3.68Å; K92-Y509 HydrophobicContact CD-CE1 4.19Å; K92-Y509 HydrophobicContact CD-CG 4.39Å; K92-Y509 HydrophobicContact CG-CD1 4.37Å
93	D	91.1	Very high	91.3	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	18.3	176.5	73.9	-23.1	0	0	0	114.7	L75 C91 K95 V505 V575	L75-D93 HydrophobicContact CD1-CB 3.83Å; C91-D93 WeakPolarHBondContact CB-OD1 3.22Å; C91-D93 PolarHBondContact O-N 3.19Å; D93-K95 VanDerWaalsContact C-N 3.29Å; D93-K95 PolarHBondContact O-N 3.14Å; D93-K95 WeakPolarHBondContact OD1-CB 3.41Å; D93-K95 PolarHBondContact OD1-N 3.21Å; D93-K95 WeakPolarHBondContact OD2-CD 3.23Å; D93-K95 IonicContact OD2-NZ 3.32Å; D93-K95 PolarHBondContact OD2-NZ 3.5Å; D93-V505 HydrophobicContact CB-CG1 4.3Å; D93-V575 HydrophobicContact CB-CG1 4.42Å
94	C	90.9	Very high	91.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	19%	0.19	C	C	.	.	S	Bend	trans	78.5	-6.3	-178.3	-142.6	0	0	0	0	115.7	C91 F359 R363 Y576	C91-C94 PolarHBondContact O-N 3.45Å; C94-F359 HydrophobicContact CB-CE1 4.33Å; C94-F359 HydrophobicContact CB-CE2 3.94Å; C94-F359 HydrophobicContact CB-CZ 3.58Å; C94-R363 WeakPolarHBondContact SG-CA 3.11Å; C94-Y576 HydrophobicContact CB-CD1 3.52Å; C94-Y576 HydrophobicContact CB-CE1 4.32Å; C94-Y576 HydrophobicContact CB-CG 4.26Å
95	K	89.2	Confident	92	Very high	53 Å²	53	40.4 Å²	40.4	23%	0.23	20%	0.197	C	C	.	.			trans	-73.4	151.7	175.2	-63.9	-179.2	-177.7	63.1	0	111.5	C91 D93 V575	C91-K95 HydrophobicContact CB-CB 4.18Å; C91-K95 WeakPolarHBondContact CB-O 3.26Å; C91-K95 PolarHBondContact N-O 3.45Å; D93-K95 VanDerWaalsContact C-N 3.29Å; D93-K95 PolarHBondContact O-N 3.14Å; D93-K95 WeakPolarHBondContact OD1-CB 3.41Å; D93-K95 PolarHBondContact OD1-N 3.21Å; D93-K95 WeakPolarHBondContact OD2-CD 3.23Å; D93-K95 IonicContact OD2-NZ 3.32Å; D93-K95 PolarHBondContact OD2-NZ 3.5Å; K95-V575 PolarHBondContact NZ-O 3.28Å
96	V	90.2	Very high	92	Very high	38 Å²	38	38.7 Å²	38.7	23%	0.23	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.3	166.5	-179.6	0	0	0	0	108.5	L89 T90 R363 T367	L89-V96 CarbonylContact O-C 3.25Å; L89-V96 VanDerWaalsContact O-CA 3.29Å; L89-V96 WeakPolarHBondContact O-CA 3.49Å; T90-V96 HydrophobicContact CG2-CG2 4.42Å; V96-R363 HydrophobicContact CG2-CG 4.01Å; V96-T367 HydrophobicContact CB-CG2 3.55Å; V96-T367 HydrophobicContact CG1-CG2 4.28Å; V96-T367 HydrophobicContact CG2-CG2 3.42Å; V96-T367 VanDerWaalsContact CG2-CG2 3.42Å
97	I	89.9	Confident	92	Very high	21 Å²	21	36.6 Å²	36.6	11%	0.108	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.8	-174.8	-62.5	156	0	0	0	108.2	I62 V69 V71 H88 L89	I62-I97 HydrophobicContact CD1-CG2 3.77Å; V69-I97 HydrophobicContact CG1-CD1 3.64Å; V69-I97 HydrophobicContact CG1-CG1 4.25Å; V71-I97 HydrophobicContact CG2-CD1 3.39Å; H88-I97 WeakPolarHBondContact CA-O 3.45Å; L89-I97 HydrophobicContact CB-CB 4.36Å; L89-I97 HydrophobicContact CD1-CG2 4.48Å; L89-I97 PolarHBondContact N-O 2.6Å; L89-I97 PolarHBondContact O-N 3.25Å
98	R	89.7	Confident	92.1	Very high	121 Å²	121	39.9 Å²	39.9	46%	0.457	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.8	178.9	-60.4	-179.7	-172.1	142.8	8	109.5	L87 H88 T367	L87-R98 WeakPolarHBondContact O-CA 3.44Å; H88-R98 PolarHBondContact CE1-NE 3.3Å; H88-R98 VanDerWaalsContact CE1-NE 3.31Å; R98-T367 PolarHBondContact NH2-O 3.13Å; R98-T367 VanDerWaalsContact NH2-O 3.11Å
99	C	90.9	Very high	92.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.9	176.4	-67	0	0	0	0	109.7	I62 Q86 L87 F101	I62-C99 VanDerWaalsContact CD1-SG 3.53Å; Q86-C99 WeakPolarHBondContact CA-O 3.47Å; L87-C99 PolarHBondContact N-O 2.87Å; L87-C99 PolarHBondContact O-N 3.11Å; C99-F101 HydrophobicContact CB-CE2 3.83Å; C99-F101 HydrophobicContact CB-CZ 4.27Å
100	Q	92.3	Very high	92.2	Very high	88 Å²	88	41.3 Å²	41.3	41%	0.411	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.6	-178.5	-166.4	165	-59.3	0	0	110.8	A48 E49 F85 Q86	A48-Q100 WeakPolarHBondContact CA-O 3.29Å; A48-Q100 VanDerWaalsContact CB-O 3.29Å; A48-Q100 WeakPolarHBondContact CB-O 3.49Å; E49-Q100 PolarHBondContact N-O 3.21Å; E49-Q100 WeakPolarHBondContact OE2-CG 3.3Å; E49-Q100 PolarHBondContact OE2-NE2 2.86Å; F85-Q100 CarbonylContact O-C 3.46Å; F85-Q100 WeakPolarHBondContact O-CA 3.33Å; Q86-Q100 VanDerWaalsContact NE2-OE1 3.09Å
101	F	93.5	Very high	92.3	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	20%	0.204	C	C	.	.			trans	-122.9	142.5	-171.6	-68.1	-92.2	0	0	0	111.2	A48 I53 F85 L87 C99 T103 Q106 C107 W110	A48-F101 HydrophobicContact CB-CD1 4.47Å; A48-F101 HydrophobicContact CB-CE1 4.32Å; I53-F101 HydrophobicContact CD1-CZ 4.02Å; I53-F101 HydrophobicContact CG2-CE1 4.34Å; F85-F101 PolarHBondContact O-N 3.25Å; L87-F101 HydrophobicContact CB-CE2 4.23Å; L87-F101 HydrophobicContact CD1-CE2 3.6Å; L87-F101 HydrophobicContact CD1-CZ 3.99Å; L87-F101 HydrophobicContact CG-CD2 4.26Å; L87-F101 HydrophobicContact CG-CE2 3.68Å; C99-F101 HydrophobicContact CB-CE2 3.83Å; C99-F101 HydrophobicContact CB-CZ 4.27Å; F101-T103 PolarHBondContact O-N 2.97Å; F101-Q106 HydrophobicContact CB-CB 4.21Å; F101-Q106 HydrophobicContact CD1-CB 4.04Å; F101-Q106 HydrophobicContact CG-CB 4.47Å; F101-C107 HydrophobicContact CB-CB 4.07Å; F101-C107 HydrophobicContact CD2-CB 4.15Å; F101-C107 HydrophobicContact CG-CB 4.24Å; F101-W110 HydrophobicContact CE1-CB 3.98Å; F101-W110 AromaticContact CE1-CD1 3.47Å; F101-W110 VanDerWaalsContact CE1-CD1 3.47Å; F101-W110 HydrophobicContact CE1-CD2 4.39Å; F101-W110 AromaticContact CE1-CG 3.65Å; F101-W110 HydrophobicContact CE1-CG 3.65Å; F101-W110 HydrophobicContact CZ-CB 3.78Å; F101-W110 AromaticContact CZ-CG 3.86Å; F101-W110 HydrophobicContact CZ-CG 3.86Å
102	S	91.6	Very high	92.4	Very high	75 Å²	75	47.5 Å²	47.5	52%	0.524	23%	0.229	S	C	.	.	S	Bend	trans	-67	-17.7	-179.2	30.7	0	0	0	0	114.8	Q106	S102-Q106 PolarHBondContact OG-OE1 3.14Å
103	T	92.1	Very high	92.5	Very high	49 Å²	49	48.3 Å²	48.3	30%	0.301	23%	0.231	S	C	.	.	S	Bend	trans	-141.8	159.5	171.7	96.3	0	0	0	0	112.8	F101 E105 Q106 C107	F101-T103 PolarHBondContact O-N 2.97Å; T103-E105 VanDerWaalsContact C-N 3.34Å; T103-E105 WeakPolarHBondContact CB-OE2 3.46Å; T103-E105 PolarHBondContact OG1-N 3.38Å; T103-E105 PolarHBondContact OG1-OE2 2.93Å; T103-Q106 PolarHBondContact O-N 2.79Å; T103-Q106 PolarHBondContact OG1-N 3.23Å; T103-C107 PolarHBondContact O-N 3.39Å; T103-C107 VanDerWaalsContact O-N 3.14Å
104	F	92.4	Very high	92.7	Very high	88 Å²	88	48.1 Å²	48.1	39%	0.386	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-37.7	176.7	166.8	-106.4	0	0	0	111.7	I84 F85 Q106 C107 Q108	I84-F104 HydrophobicContact CB-CD2 3.86Å; I84-F104 HydrophobicContact CB-CE2 4.49Å; I84-F104 HydrophobicContact CG2-CD2 4.12Å; I84-F104 HydrophobicContact CG2-CE2 4.28Å; I84-F104 WeakPolarHBondContact O-CD2 3.48Å; F85-F104 HydrophobicContact CE1-CB 4.16Å; F104-Q106 PolarHBondContact O-N 3.06Å; F104-C107 WeakPolarHBondContact O-CB 3.4Å; F104-C107 PolarHBondContact O-N 3.44Å; F104-Q108 HydrophobicContact CD1-CG 4.38Å; F104-Q108 HydrophobicContact CD2-CG 3.91Å; F104-Q108 HydrophobicContact CE1-CG 3.98Å; F104-Q108 HydrophobicContact CE2-CG 3.47Å; F104-Q108 VanDerWaalsContact CE2-CG 3.47Å; F104-Q108 HydrophobicContact CG-CG 4.36Å; F104-Q108 HydrophobicContact CZ-CG 3.51Å; F104-Q108 WeakPolarHBondContact O-CB 3.4Å; F104-Q108 WeakPolarHBondContact O-CG 3.38Å; F104-Q108 PolarHBondContact O-N 2.88Å
105	E	92.6	Very high	92.9	Very high	125 Å²	125	51 Å²	51	58%	0.584	25%	0.246	S	C	*	.	H	α-helix	trans	-64.2	-41.7	178.8	-55.8	71.9	-156.1	0	0	111.1	T103 E109	T103-E105 VanDerWaalsContact C-N 3.34Å; T103-E105 WeakPolarHBondContact CB-OE2 3.46Å; T103-E105 PolarHBondContact OG1-N 3.38Å; T103-E105 PolarHBondContact OG1-OE2 2.93Å; E105-E109 VanDerWaalsContact O-CB 3.31Å; E105-E109 WeakPolarHBondContact O-CB 3.44Å; E105-E109 PolarHBondContact O-N 3.46Å
106	Q	92.3	Very high	93.1	Very high	45 Å²	45	52.4 Å²	52.4	21%	0.21	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-46.9	172.4	-66.4	-177.8	-62.1	0	0	111	F101 S102 T103 F104 Q108 E109 W110	F101-Q106 HydrophobicContact CB-CB 4.21Å; F101-Q106 HydrophobicContact CD1-CB 4.04Å; F101-Q106 HydrophobicContact CG-CB 4.47Å; S102-Q106 PolarHBondContact OG-OE1 3.14Å; T103-Q106 PolarHBondContact O-N 2.79Å; T103-Q106 PolarHBondContact OG1-N 3.23Å; F104-Q106 PolarHBondContact O-N 3.06Å; Q106-Q108 PolarHBondContact O-N 2.65Å; Q106-E109 PolarHBondContact O-N 3.2Å; Q106-W110 PolarHBondContact O-N 3.12Å
107	C	94.2	Very high	93.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-47.2	178.9	-164.6	0	0	0	0	111.9	C81 I84 L87 F101 T103 F104 L111	C81-C107 VanDerWaalsContact SG-SG 3.61Å; I84-C107 WeakPolarHBondContact O-CB 3.42Å; L87-C107 WeakPolarHBondContact CD2-SG 3.4Å; F101-C107 HydrophobicContact CB-CB 4.07Å; F101-C107 HydrophobicContact CD2-CB 4.15Å; F101-C107 HydrophobicContact CG-CB 4.24Å; T103-C107 PolarHBondContact O-N 3.39Å; T103-C107 VanDerWaalsContact O-N 3.14Å; F104-C107 WeakPolarHBondContact O-CB 3.4Å; F104-C107 PolarHBondContact O-N 3.44Å; C107-L111 WeakPolarHBondContact O-CB 3.35Å; C107-L111 PolarHBondContact O-N 3.01Å
108	Q	94.4	Very high	93.3	Very high	68 Å²	68	52.4 Å²	52.4	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-68.8	-38.5	179.4	-71.2	-61.8	-55.1	0	0	113.5	C81 F104 Q106 L111 K112	C81-Q108 PolarHBondContact SG-NE2 3.31Å; F104-Q108 HydrophobicContact CD1-CG 4.38Å; F104-Q108 HydrophobicContact CD2-CG 3.91Å; F104-Q108 HydrophobicContact CE1-CG 3.98Å; F104-Q108 HydrophobicContact CE2-CG 3.47Å; F104-Q108 VanDerWaalsContact CE2-CG 3.47Å; F104-Q108 HydrophobicContact CG-CG 4.36Å; F104-Q108 HydrophobicContact CZ-CG 3.51Å; F104-Q108 WeakPolarHBondContact O-CB 3.4Å; F104-Q108 WeakPolarHBondContact O-CG 3.38Å; F104-Q108 PolarHBondContact O-N 2.88Å; Q106-Q108 PolarHBondContact O-N 2.65Å; Q108-L111 WeakPolarHBondContact O-CB 3.49Å; Q108-L111 PolarHBondContact O-N 2.79Å; Q108-K112 VanDerWaalsContact O-CB 3.29Å; Q108-K112 WeakPolarHBondContact O-CB 3.41Å; Q108-K112 PolarHBondContact O-N 3.45Å
109	E	93.9	Very high	93.2	Very high	58 Å²	58	53.9 Å²	53.9	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-71	-36.1	177.3	173.6	61.4	-166.8	0	0	111.3	E105 Q106 K112 R113	E105-E109 VanDerWaalsContact O-CB 3.31Å; E105-E109 WeakPolarHBondContact O-CB 3.44Å; E105-E109 PolarHBondContact O-N 3.46Å; Q106-E109 PolarHBondContact O-N 3.2Å; E109-K112 PolarHBondContact O-N 3.47Å; E109-K112 IonicContact OE2-NZ 2.68Å; E109-K112 PolarHBondContact OE2-NZ 2.84Å; E109-R113 VanDerWaalsContact O-CG 3.28Å; E109-R113 WeakPolarHBondContact O-CG 3.18Å; E109-R113 PolarHBondContact O-N 3.38Å; E109-R113 IonicContact OE1-CZ 3.96Å; E109-R113 IonicContact OE1-NE 2.91Å; E109-R113 PolarHBondContact OE1-NE 3.22Å; E109-R113 IonicContact OE1-NH2 2.85Å; E109-R113 PolarHBondContact OE1-NH2 3.13Å
110	W	94.9	Very high	92.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.8	-39.5	170.4	-83.5	92.4	0	0	0	113.1	E26 F44 I53 L55 L60 L87 F101 Q106 K112 R113 L114	E26-W110 PolarHBondContact OE1-NE1 2.96Å; F44-W110 HydrophobicContact CB-CH2 3.97Å; F44-W110 HydrophobicContact CB-CZ2 4.37Å; I53-W110 HydrophobicContact CD1-CD2 4.12Å; I53-W110 HydrophobicContact CD1-CE3 3.72Å; I53-W110 HydrophobicContact CD1-CZ3 4Å; I53-W110 HydrophobicContact CG1-CE3 4.03Å; I53-W110 HydrophobicContact CG1-CH2 4.09Å; I53-W110 HydrophobicContact CG1-CZ3 3.77Å; I53-W110 HydrophobicContact CG2-CD2 4.19Å; I53-W110 HydrophobicContact CG2-CE3 4.48Å; I53-W110 HydrophobicContact CG2-CH2 4.05Å; I53-W110 HydrophobicContact CG2-CZ2 3.73Å; I53-W110 HydrophobicContact CG2-CZ3 4.4Å; L55-W110 HydrophobicContact CB-CH2 4.23Å; L55-W110 HydrophobicContact CB-CZ3 3.87Å; L60-W110 HydrophobicContact CD1-CZ3 4.24Å; L87-W110 HydrophobicContact CD1-CB 3.86Å; F101-W110 HydrophobicContact CE1-CB 3.98Å; F101-W110 AromaticContact CE1-CD1 3.47Å; F101-W110 VanDerWaalsContact CE1-CD1 3.47Å; F101-W110 HydrophobicContact CE1-CD2 4.39Å; F101-W110 AromaticContact CE1-CG 3.65Å; F101-W110 HydrophobicContact CE1-CG 3.65Å; F101-W110 HydrophobicContact CZ-CB 3.78Å; F101-W110 AromaticContact CZ-CG 3.86Å; F101-W110 HydrophobicContact CZ-CG 3.86Å; Q106-W110 PolarHBondContact O-N 3.12Å; W110-K112 VanDerWaalsContact C-N 3.28Å; W110-K112 PolarHBondContact O-N 3.43Å; W110-R113 VanDerWaalsContact CE2-NH1 3.32Å; W110-R113 PolarHBondContact O-N 3.44Å; W110-L114 WeakPolarHBondContact O-CB 3.33Å; W110-L114 VanDerWaalsContact O-CG 3.27Å; W110-L114 WeakPolarHBondContact O-CG 3.28Å; W110-L114 PolarHBondContact O-N 3.39Å
111	L	95.5	Very high	92.6	Very high	28 Å²	28	52.5 Å²	52.5	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-53.7	-46.5	170.8	178.1	69.2	0	0	0	111.3	V79 C81 L87 C107 Q108 N115	V79-L111 HydrophobicContact CG1-CD1 3.98Å; V79-L111 WeakPolarHBondContact O-CD1 3.37Å; C81-L111 HydrophobicContact CB-CD1 4.42Å; C81-L111 HydrophobicContact CB-CD2 4Å; L87-L111 HydrophobicContact CD2-CB 3.84Å; L87-L111 HydrophobicContact CD2-CD1 4.02Å; L87-L111 HydrophobicContact CD2-CG 4.45Å; C107-L111 WeakPolarHBondContact O-CB 3.35Å; C107-L111 PolarHBondContact O-N 3.01Å; Q108-L111 WeakPolarHBondContact O-CB 3.49Å; Q108-L111 PolarHBondContact O-N 2.79Å; L111-N115 VanDerWaalsContact CD1-ND2 3.28Å; L111-N115 WeakPolarHBondContact CD1-ND2 3.47Å; L111-N115 WeakPolarHBondContact O-CB 3.29Å; L111-N115 PolarHBondContact O-N 2.83Å; L111-N115 PolarHBondContact O-ND2 3.41Å
112	K	95.3	Very high	92.3	Very high	121 Å²	121	56.3 Å²	56.3	53%	0.526	29%	0.294	S	S	.	.	H	α-helix	trans	-68.6	-43.9	179.9	176.6	-174.6	161.8	-147.1	0	112.3	Q108 E109 W110 N116	Q108-K112 VanDerWaalsContact O-CB 3.29Å; Q108-K112 WeakPolarHBondContact O-CB 3.41Å; Q108-K112 PolarHBondContact O-N 3.45Å; E109-K112 PolarHBondContact O-N 3.47Å; E109-K112 IonicContact OE2-NZ 2.68Å; E109-K112 PolarHBondContact OE2-NZ 2.84Å; W110-K112 VanDerWaalsContact C-N 3.28Å; W110-K112 PolarHBondContact O-N 3.43Å; K112-N116 WeakPolarHBondContact O-CB 3.34Å; K112-N116 PolarHBondContact O-N 3.48Å; K112-N116 PolarHBondContact O-ND2 2.81Å; K112-N116 PolarHBondContact O-OD1 3.5Å
113	R	95.4	Very high	92.2	Very high	30 Å²	30	58.8 Å²	58.8	11%	0.113	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-47.1	174.3	-73.2	171.5	-166.5	164.5	6.5	111.4	E26 F44 L55 E109 W110 N116 A117	E26-R113 IonicContact OE1-CZ 3.28Å; E26-R113 IonicContact OE1-NH1 3.94Å; E26-R113 PolarHBondContact OE1-NH1 3.22Å; E26-R113 IonicContact OE1-NH2 2.58Å; F44-R113 HydrophobicContact CE1-CG 4.42Å; F44-R113 HydrophobicContact CE2-CG 4.5Å; F44-R113 HydrophobicContact CZ-CG 4.42Å; L55-R113 HydrophobicContact CD2-CB 4.08Å; E109-R113 VanDerWaalsContact O-CG 3.28Å; E109-R113 WeakPolarHBondContact O-CG 3.18Å; E109-R113 PolarHBondContact O-N 3.38Å; E109-R113 IonicContact OE1-CZ 3.96Å; E109-R113 IonicContact OE1-NE 2.91Å; E109-R113 PolarHBondContact OE1-NE 3.22Å; E109-R113 IonicContact OE1-NH2 2.85Å; E109-R113 PolarHBondContact OE1-NH2 3.13Å; W110-R113 VanDerWaalsContact CE2-NH1 3.32Å; W110-R113 PolarHBondContact O-N 3.44Å; R113-N116 WeakPolarHBondContact O-CB 3.34Å; R113-N116 PolarHBondContact O-N 2.67Å; R113-A117 WeakPolarHBondContact O-CB 3.28Å; R113-A117 PolarHBondContact O-N 2.89Å
114	L	95.8	Very high	92.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-48.9	-179.9	-69.5	168.6	0	0	0	111.9	L60 V79 L87 L89 W110 N116 A117 I118	L60-L114 HydrophobicContact CD1-CD2 3.9Å; L60-L114 HydrophobicContact CD2-CD1 4.44Å; L60-L114 HydrophobicContact CD2-CD2 3.88Å; L60-L114 HydrophobicContact CG-CD2 4.32Å; V79-L114 HydrophobicContact CB-CB 4.42Å; V79-L114 HydrophobicContact CG1-CB 4.26Å; V79-L114 HydrophobicContact CG1-CD1 3.97Å; V79-L114 HydrophobicContact CG2-CB 4.09Å; V79-L114 HydrophobicContact CG2-CD1 4.48Å; L87-L114 HydrophobicContact CD1-CD1 4.1Å; L89-L114 HydrophobicContact CD2-CD1 4Å; W110-L114 WeakPolarHBondContact O-CB 3.33Å; W110-L114 VanDerWaalsContact O-CG 3.27Å; W110-L114 WeakPolarHBondContact O-CG 3.28Å; W110-L114 PolarHBondContact O-N 3.39Å; L114-N116 PolarHBondContact O-N 3.38Å; L114-N116 VanDerWaalsContact O-N 3.15Å; L114-A117 PolarHBondContact O-N 3.08Å; L114-I118 WeakPolarHBondContact O-CG1 3.37Å; L114-I118 PolarHBondContact O-N 2.82Å
115	N	94.7	Very high	92.1	Very high	62 Å²	62	55.2 Å²	55.2	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-14.2	175.8	-77.5	-58.6	0	0	0	113.9	V79 L111 R119	V79-N115 PolarHBondContact O-ND2 3.29Å; L111-N115 VanDerWaalsContact CD1-ND2 3.28Å; L111-N115 WeakPolarHBondContact CD1-ND2 3.47Å; L111-N115 WeakPolarHBondContact O-CB 3.29Å; L111-N115 PolarHBondContact O-N 2.83Å; L111-N115 PolarHBondContact O-ND2 3.41Å; N115-R119 VanDerWaalsContact O-CG 3.23Å; N115-R119 WeakPolarHBondContact O-CG 3.44Å
116	N	93.3	Very high	92.1	Very high	82 Å²	82	54 Å²	54	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-83.6	-34.2	166.7	-68.3	-18.8	0	0	0	112.5	K112 R113 L114 R119	K112-N116 WeakPolarHBondContact O-CB 3.34Å; K112-N116 PolarHBondContact O-N 3.48Å; K112-N116 PolarHBondContact O-ND2 2.81Å; K112-N116 PolarHBondContact O-OD1 3.5Å; R113-N116 WeakPolarHBondContact O-CB 3.34Å; R113-N116 PolarHBondContact O-N 2.67Å; L114-N116 PolarHBondContact O-N 3.38Å; L114-N116 VanDerWaalsContact O-N 3.15Å; N116-R119 PolarHBondContact OD1-NH2 3.36Å
117	A	92.8	Very high	92.2	Very high	31 Å²	31	52 Å²	52	26%	0.256	27%	0.265	S	S	.	.	H	α-helix	trans	-82	-25.4	-177.2	0	0	0	0	0	114.3	L55 L73 R113 L114	L55-A117 HydrophobicContact CD1-CB 4.14Å; L55-A117 HydrophobicContact CD2-CB 4.26Å; L73-A117 HydrophobicContact CD1-CB 4.01Å; L73-A117 HydrophobicContact CD2-CB 4.09Å; R113-A117 WeakPolarHBondContact O-CB 3.28Å; R113-A117 PolarHBondContact O-N 2.89Å; L114-A117 PolarHBondContact O-N 3.08Å
118	I	91.3	Very high	92.2	Very high	27 Å²	27	52.7 Å²	52.7	14%	0.138	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	11	179.9	71.6	158.1	0	0	0	114.2	L73 I76 V79 L114	L73-I118 HydrophobicContact CD2-CG2 4.35Å; I76-I118 HydrophobicContact CB-CG2 3.85Å; I76-I118 HydrophobicContact CD1-CG2 3.85Å; I76-I118 HydrophobicContact CG1-CG2 4.39Å; I76-I118 HydrophobicContact CG2-CD1 3.97Å; I76-I118 HydrophobicContact CG2-CG2 4.07Å; V79-I118 HydrophobicContact CG2-CD1 4.19Å; L114-I118 WeakPolarHBondContact O-CG1 3.37Å; L114-I118 PolarHBondContact O-N 2.82Å
119	R	87.9	Confident	92.3	Very high	153 Å²	153	49.4 Å²	49.4	58%	0.577	25%	0.253	S	S	*	.	S	Bend	trans	-63.9	151.5	177.3	-62.9	-174	-173.5	-175.3	5.6	110.7	N115 N116	N115-R119 VanDerWaalsContact O-CG 3.23Å; N115-R119 WeakPolarHBondContact O-CG 3.44Å; N116-R119 PolarHBondContact OD1-NH2 3.36Å
120	P	84.1	Confident	92.3	Very high	49 Å²	49	46.9 Å²	46.9	32%	0.318	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-52	139.1	166.9	-26.2	35.8	0	0	0	111.2
121	P	86.4	Confident	92.3	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.071	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-66.5	140.5	177.1	30.5	-36.8	0	0	0	110.4	K123 D126 L127	P121-K123 WeakPolarHBondContact CB-O 3.34Å; P121-D126 HydrophobicContact CB-CB 4.06Å; P121-L127 HydrophobicContact CB-CD2 4.15Å; P121-L127 HydrophobicContact CB-CG 4.26Å; P121-L127 HydrophobicContact CG-CD2 3.94Å; P121-L127 HydrophobicContact CG-CG 4.16Å
122	A	87.1	Confident	92.2	Very high	81 Å²	81	47.7 Å²	47.7	67%	0.669	24%	0.243	S	C	*	.	S	Bend	trans	-78.2	-27.6	178.5	0	0	0	0	0	111.5	D126	A122-D126 PolarHBondContact N-OD2 3.26Å
123	K	90.1	Very high	92.1	Very high	127 Å²	127	43.2 Å²	43.2	55%	0.552	23%	0.225	S	C	*	.	S	Bend	trans	-136.2	150.2	169	-59	176.2	-173.7	171	0	109.2	P121 E125 D126 E464	P121-K123 WeakPolarHBondContact CB-O 3.34Å; K123-E125 HydrophobicContact CB-CB 4.49Å; K123-E125 PolarHBondContact O-N 3.42Å; K123-E125 VanDerWaalsContact O-N 3.14Å; K123-D126 PolarHBondContact N-OD2 3.2Å; K123-D126 VanDerWaalsContact O-CB 3.29Å; K123-D126 WeakPolarHBondContact O-CB 3.33Å; K123-D126 PolarHBondContact O-N 3.43Å; K123-E464 WeakPolarHBondContact CA-OE1 3.38Å
124	I	91.5	Very high	91.9	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.062	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-57.7	-30.3	176.5	-161.8	170.6	0	0	0	112.2	D126 L127 F130 E464 L517 C518 K527 T529	I124-D126 PolarHBondContact O-N 3.43Å; I124-L127 HydrophobicContact CG1-CD1 4.11Å; I124-L127 WeakPolarHBondContact O-CB 3.48Å; I124-L127 WeakPolarHBondContact O-CG 3.47Å; I124-L127 PolarHBondContact O-N 3.07Å; I124-L127 VanDerWaalsContact O-N 3.16Å; I124-F130 HydrophobicContact CG1-CE2 3.98Å; I124-F130 HydrophobicContact CG1-CZ 4.16Å; I124-F130 HydrophobicContact CG2-CE2 4.49Å; I124-F130 HydrophobicContact CG2-CZ 4.15Å; I124-F130 VanDerWaalsContact O-CD2 3.31Å; I124-F130 WeakPolarHBondContact O-CD2 3.33Å; I124-F130 WeakPolarHBondContact O-CE2 3.17Å; I124-E464 HydrophobicContact CB-CG 4.37Å; I124-E464 PolarHBondContact N-OE1 3.44Å; I124-L517 HydrophobicContact CD1-CB 4.28Å; I124-L517 HydrophobicContact CD1-CD1 4.48Å; I124-L517 HydrophobicContact CG1-CD1 4.46Å; I124-C518 WeakPolarHBondContact CD1-SG 3.42Å; I124-K527 HydrophobicContact CD1-CG 4.47Å; I124-K527 HydrophobicContact CG2-CB 4.33Å; I124-K527 HydrophobicContact CG2-CD 3.79Å; I124-K527 HydrophobicContact CG2-CG 4.14Å; I124-T529 HydrophobicContact CD1-CG2 4.41Å
125	E	91.8	Very high	91.7	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.229	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.8	-22.2	172.1	-75.4	79	-172.1	0	0	115.3	K123 L127 R532	K123-E125 HydrophobicContact CB-CB 4.49Å; K123-E125 PolarHBondContact O-N 3.42Å; K123-E125 VanDerWaalsContact O-N 3.14Å; E125-L127 PolarHBondContact O-N 3.37Å; E125-R532 IonicContact OE1-CZ 2.67Å; E125-R532 VanDerWaalsContact OE1-CZ 3.25Å; E125-R532 IonicContact OE1-NH1 2.66Å; E125-R532 PolarHBondContact OE1-NH1 3.27Å; E125-R532 IonicContact OE1-NH2 2.78Å; E125-R532 PolarHBondContact OE1-NH2 3.06Å
126	D	91.5	Very high	91.3	Very high	100 Å²	100	41.6 Å²	41.6	54%	0.535	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-72.1	-12.1	178.1	-54.5	-29.9	0	0	0	111.6	P121 A122 K123 I124	P121-D126 HydrophobicContact CB-CB 4.06Å; A122-D126 PolarHBondContact N-OD2 3.26Å; K123-D126 PolarHBondContact N-OD2 3.2Å; K123-D126 VanDerWaalsContact O-CB 3.29Å; K123-D126 WeakPolarHBondContact O-CB 3.33Å; K123-D126 PolarHBondContact O-N 3.43Å; I124-D126 PolarHBondContact O-N 3.43Å
127	L	94	Very high	90.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-75.5	140.5	176.6	-65.4	175.4	0	0	0	112.1	Q74 P121 I124 E125 S129 F130 C511 L517	Q74-L127 HydrophobicContact CG-CD2 3.96Å; P121-L127 HydrophobicContact CB-CD2 4.15Å; P121-L127 HydrophobicContact CB-CG 4.26Å; P121-L127 HydrophobicContact CG-CD2 3.94Å; P121-L127 HydrophobicContact CG-CG 4.16Å; I124-L127 HydrophobicContact CG1-CD1 4.11Å; I124-L127 WeakPolarHBondContact O-CB 3.48Å; I124-L127 WeakPolarHBondContact O-CG 3.47Å; I124-L127 PolarHBondContact O-N 3.07Å; I124-L127 VanDerWaalsContact O-N 3.16Å; E125-L127 PolarHBondContact O-N 3.37Å; L127-S129 PolarHBondContact O-N 3.45Å; L127-F130 HydrophobicContact CB-CD2 4.4Å; L127-F130 PolarHBondContact O-N 2.99Å; L127-F130 VanDerWaalsContact O-N 3.16Å; L127-C511 HydrophobicContact CB-CB 4.47Å; L127-C511 HydrophobicContact CD2-CB 4.12Å; L127-L517 HydrophobicContact CD1-CD1 4.25Å; L127-L517 HydrophobicContact CD1-CD2 3.67Å
128	F	95.4	Very high	90.3	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.057	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-30.1	-173.1	-173.2	-109.3	0	0	0	114.6	L37 H38 E40 Y58 F130 A131 Y132 L512	L37-F128 HydrophobicContact CB-CZ 4.39Å; L37-F128 HydrophobicContact CD1-CE1 4.28Å; H38-F128 WeakPolarHBondContact O-CZ 3.35Å; E40-F128 HydrophobicContact CB-CE2 4.08Å; E40-F128 HydrophobicContact CB-CZ 3.83Å; Y58-F128 HydrophobicContact CD1-CD1 4.28Å; Y58-F128 HydrophobicContact CD1-CE1 4.13Å; Y58-F128 HydrophobicContact CD2-CB 3.86Å; Y58-F128 AromaticContact CD2-CD1 3.27Å; Y58-F128 HydrophobicContact CD2-CD1 3.27Å; Y58-F128 AromaticContact CD2-CE1 3.96Å; Y58-F128 HydrophobicContact CD2-CE1 3.96Å; Y58-F128 AromaticContact CD2-CG 3.62Å; Y58-F128 HydrophobicContact CD2-CG 3.62Å; Y58-F128 AromaticContact CE2-CD1 3.91Å; Y58-F128 HydrophobicContact CE2-CD1 3.91Å; Y58-F128 AromaticContact CG-CD1 3.5Å; Y58-F128 HydrophobicContact CG-CD1 3.5Å; Y58-F128 VanDerWaalsContact CG-CD1 3.5Å; Y58-F128 HydrophobicContact CG-CD2 4.39Å; Y58-F128 AromaticContact CG-CE1 3.73Å; Y58-F128 HydrophobicContact CG-CE1 3.73Å; Y58-F128 AromaticContact CG-CG 3.86Å; Y58-F128 HydrophobicContact CG-CG 3.86Å; Y58-F128 HydrophobicContact CG-CZ 4.29Å; F128-F130 PolarHBondContact O-N 2.94Å; F128-F130 VanDerWaalsContact O-N 3.1Å; F128-A131 HydrophobicContact CD2-CB 4.35Å; F128-A131 HydrophobicContact CE2-CB 4.47Å; F128-A131 PolarHBondContact O-N 3.33Å; F128-A131 VanDerWaalsContact O-N 3.1Å; F128-Y132 AromaticContact CE1-CD2 3.99Å; F128-Y132 HydrophobicContact CE1-CD2 3.99Å; F128-Y132 HydrophobicContact CE1-CG 4.21Å; F128-Y132 HydrophobicContact CZ-CD2 4.39Å; F128-Y132 WeakPolarHBondContact O-CB 3.28Å; F128-Y132 PolarHBondContact O-N 3.27Å; F128-L512 HydrophobicContact CD1-CD1 3.7Å; F128-L512 HydrophobicContact CE1-CD1 3.56Å
129	S	95.3	Very high	89.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-52.3	-31.1	177.6	53.7	0	0	0	0	115.1	L127 H133 C511 L512	L127-S129 PolarHBondContact O-N 3.45Å; S129-H133 WeakPolarHBondContact O-CB 3.35Å; S129-H133 PolarHBondContact O-N 3.4Å; S129-C511 VanDerWaalsContact CB-O 3.3Å; S129-C511 WeakPolarHBondContact CB-O 3.34Å; S129-C511 PolarHBondContact N-O 2.85Å; S129-L512 WeakPolarHBondContact CA-O 3.34Å; S129-L512 WeakPolarHBondContact CB-O 3.5Å
130	F	94.9	Very high	88.9	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-79	-42.9	178.5	-66.3	-93.8	0	0	0	111.5	F18 I124 L127 F128 A134 L517 T529 R532 T533	F18-F130 HydrophobicContact CE1-CB 4.22Å; F18-F130 HydrophobicContact CE2-CB 4.5Å; F18-F130 HydrophobicContact CZ-CB 3.7Å; I124-F130 HydrophobicContact CG1-CE2 3.98Å; I124-F130 HydrophobicContact CG1-CZ 4.16Å; I124-F130 HydrophobicContact CG2-CE2 4.49Å; I124-F130 HydrophobicContact CG2-CZ 4.15Å; I124-F130 VanDerWaalsContact O-CD2 3.31Å; I124-F130 WeakPolarHBondContact O-CD2 3.33Å; I124-F130 WeakPolarHBondContact O-CE2 3.17Å; L127-F130 HydrophobicContact CB-CD2 4.4Å; L127-F130 PolarHBondContact O-N 2.99Å; L127-F130 VanDerWaalsContact O-N 3.16Å; F128-F130 PolarHBondContact O-N 2.94Å; F128-F130 VanDerWaalsContact O-N 3.1Å; F130-A134 WeakPolarHBondContact O-CB 3.41Å; F130-A134 PolarHBondContact O-N 2.69Å; F130-L517 HydrophobicContact CE2-CD1 3.96Å; F130-L517 HydrophobicContact CZ-CD1 4.46Å; F130-T529 HydrophobicContact CZ-CG2 4.37Å; F130-R532 HydrophobicContact CD1-CB 3.88Å; F130-R532 HydrophobicContact CE1-CB 3.91Å; F130-T533 HydrophobicContact CD1-CG2 3.81Å; F130-T533 HydrophobicContact CD2-CG2 3.98Å; F130-T533 HydrophobicContact CE1-CG2 3.73Å; F130-T533 HydrophobicContact CE2-CG2 3.86Å; F130-T533 HydrophobicContact CG-CG2 3.94Å; F130-T533 HydrophobicContact CZ-CG2 3.75Å
131	A	94.4	Very high	88.2	Confident	5 Å²	5	39 Å²	39	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-47.4	173.2	0	0	0	0	0	111.2	F18 F128 H133 A134 W135	F18-A131 HydrophobicContact CB-CB 4.01Å; F18-A131 HydrophobicContact CD1-CB 3.72Å; F18-A131 HydrophobicContact CD2-CB 4.24Å; F18-A131 HydrophobicContact CE1-CB 4.24Å; F18-A131 HydrophobicContact CG-CB 3.72Å; F128-A131 HydrophobicContact CD2-CB 4.35Å; F128-A131 HydrophobicContact CE2-CB 4.47Å; F128-A131 PolarHBondContact O-N 3.33Å; F128-A131 VanDerWaalsContact O-N 3.1Å; A131-H133 PolarHBondContact O-N 2.94Å; A131-A134 PolarHBondContact O-N 2.83Å; A131-W135 WeakPolarHBondContact O-CB 3.4Å; A131-W135 VanDerWaalsContact O-CD1 3.27Å; A131-W135 PolarHBondContact O-N 3.35Å
132	Y	94	Very high	87.1	Confident	40 Å²	40	42.9 Å²	42.9	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-55.3	-50.8	177.9	-179.7	-105.3	0	0	0	112	L37 H38 F128 C136 L512 C534	L37-Y132 HydrophobicContact CB-CD2 4.4Å; L37-Y132 HydrophobicContact CB-CE2 4.34Å; H38-Y132 HydrophobicContact CB-CD2 4.33Å; H38-Y132 HydrophobicContact CB-CE2 4.35Å; H38-Y132 WeakPolarHBondContact O-CA 3.43Å; H38-Y132 WeakPolarHBondContact O-CD2 3.39Å; F128-Y132 AromaticContact CE1-CD2 3.99Å; F128-Y132 HydrophobicContact CE1-CD2 3.99Å; F128-Y132 HydrophobicContact CE1-CG 4.21Å; F128-Y132 HydrophobicContact CZ-CD2 4.39Å; F128-Y132 WeakPolarHBondContact O-CB 3.28Å; F128-Y132 PolarHBondContact O-N 3.27Å; Y132-C136 VanDerWaalsContact O-CB 3.31Å; Y132-C136 WeakPolarHBondContact O-CB 3.37Å; Y132-C136 PolarHBondContact O-N 3.23Å; Y132-C136 PolarHBondContact O-SG 3.4Å; Y132-L512 HydrophobicContact CD1-CD1 3.98Å; Y132-L512 HydrophobicContact CD2-CD1 3.72Å; Y132-L512 HydrophobicContact CE1-CD1 4.31Å; Y132-L512 HydrophobicContact CE2-CD1 4.07Å; Y132-L512 HydrophobicContact CG-CD1 3.69Å; Y132-C534 HydrophobicContact CD1-CB 4.25Å; Y132-C534 HydrophobicContact CE1-CB 4.1Å
133	H	92.5	Very high	86	Confident	28 Å²	28	42.8 Å²	42.8	13%	0.13	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-44.8	178.8	173.3	-93.1	0	0	0	113	S129 A131 W135 C136 M137 E531 R532 T533	S129-H133 WeakPolarHBondContact O-CB 3.35Å; S129-H133 PolarHBondContact O-N 3.4Å; A131-H133 PolarHBondContact O-N 2.94Å; H133-W135 PolarHBondContact O-N 2.86Å; H133-C136 PolarHBondContact O-N 2.95Å; H133-M137 WeakPolarHBondContact O-CB 3.29Å; H133-M137 VanDerWaalsContact O-CG 3.3Å; H133-M137 WeakPolarHBondContact O-CG 3.38Å; H133-M137 PolarHBondContact O-N 2.81Å; H133-E531 PolarHBondContact CE1-O 3.34Å; H133-R532 WeakPolarHBondContact CB-O 3.29Å; H133-R532 VanDerWaalsContact CG-C 3.48Å; H133-R532 PolarHBondContact ND1-O 3.06Å; H133-T533 VanDerWaalsContact CD2-C 3.47Å
134	A	91.7	Very high	84.1	Confident	21 Å²	21	46.1 Å²	46.1	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-47.9	179.1	0	0	0	0	0	111.8	A14 F18 F130 A131 M137 E138	A14-A134 HydrophobicContact CB-CB 3.86Å; F18-A134 HydrophobicContact CD2-CB 3.83Å; F18-A134 HydrophobicContact CE2-CB 3.75Å; F130-A134 WeakPolarHBondContact O-CB 3.41Å; F130-A134 PolarHBondContact O-N 2.69Å; A131-A134 PolarHBondContact O-N 2.83Å; A134-M137 PolarHBondContact O-N 2.93Å; A134-E138 PolarHBondContact O-N 2.87Å; A134-E138 VanDerWaalsContact O-N 3.09Å
135	W	90.4	Very high	82	Confident	37 Å²	37	50.6 Å²	50.6	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-32.7	178.2	-80	83.3	0	0	0	112.9	A14 N15 F18 R20 H38 G39 A131 H133 V139	A14-W135 HydrophobicContact CB-CB 4.34Å; A14-W135 HydrophobicContact CB-CD2 4.1Å; A14-W135 HydrophobicContact CB-CG 3.77Å; A14-W135 PolarHBondContact O-NE1 2.7Å; N15-W135 HydrophobicContact CB-CH2 3.83Å; N15-W135 HydrophobicContact CB-CZ2 3.77Å; F18-W135 PolarHBondContact O-NE1 3.24Å; R20-W135 HydrophobicContact CG-CH2 4.04Å; R20-W135 HydrophobicContact CG-CZ2 3.87Å; R20-W135 VanDerWaalsContact NE-CH2 3.29Å; H38-W135 HydrophobicContact CB-CB 4.14Å; G39-W135 VanDerWaalsContact N-CB 3.34Å; A131-W135 WeakPolarHBondContact O-CB 3.4Å; A131-W135 VanDerWaalsContact O-CD1 3.27Å; A131-W135 PolarHBondContact O-N 3.35Å; H133-W135 PolarHBondContact O-N 2.86Å; W135-V139 WeakPolarHBondContact O-CG2 3.33Å; W135-V139 PolarHBondContact O-N 2.75Å
136	C	87.4	Confident	80	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-46.7	170.2	-76.5	0	0	0	0	111.6	Y132 H133 E138 V139 Y140	Y132-C136 VanDerWaalsContact O-CB 3.31Å; Y132-C136 WeakPolarHBondContact O-CB 3.37Å; Y132-C136 PolarHBondContact O-N 3.23Å; Y132-C136 PolarHBondContact O-SG 3.4Å; H133-C136 PolarHBondContact O-N 2.95Å; C136-E138 PolarHBondContact O-N 3.01Å; C136-V139 PolarHBondContact O-N 2.82Å; C136-Y140 HydrophobicContact CB-CD2 4.23Å; C136-Y140 HydrophobicContact CB-CE2 3.89Å; C136-Y140 WeakPolarHBondContact O-CD2 3.4Å; C136-Y140 PolarHBondContact O-N 2.9Å
137	M	82.6	Confident	78.1	Confident	71 Å²	71	55 Å²	55	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-36.7	-177.8	-70.8	-85.5	78.5	0	0	112.7	H133 A134 V139 Y140 A141	H133-M137 WeakPolarHBondContact O-CB 3.29Å; H133-M137 VanDerWaalsContact O-CG 3.3Å; H133-M137 WeakPolarHBondContact O-CG 3.38Å; H133-M137 PolarHBondContact O-N 2.81Å; A134-M137 PolarHBondContact O-N 2.93Å; M137-V139 VanDerWaalsContact C-N 3.35Å; M137-Y140 HydrophobicContact CE-CD2 3.93Å; M137-A141 VanDerWaalsContact O-CB 3.22Å; M137-A141 WeakPolarHBondContact O-CB 3.49Å; M137-A141 PolarHBondContact O-N 3.23Å
138	E	82.1	Confident	76.1	Confident	67 Å²	67	56.5 Å²	56.5	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-40	173.6	-171.9	169.1	-179.1	0	0	111.9	A14 A134 C136 S142	A14-E138 HydrophobicContact CB-CB 4.41Å; A14-E138 WeakPolarHBondContact CB-OE2 3.25Å; A14-E138 PolarHBondContact N-OE2 2.76Å; A134-E138 PolarHBondContact O-N 2.87Å; A134-E138 VanDerWaalsContact O-N 3.09Å; C136-E138 PolarHBondContact O-N 3.01Å; E138-S142 PolarHBondContact O-N 3.07Å
139	V	77.7	Confident	74.3	Confident	38 Å²	38	62.1 Å²	62.1	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-54.3	175.1	171.7	0	0	0	0	111.3	W135 C136 M137 A141 S142 E143	W135-V139 WeakPolarHBondContact O-CG2 3.33Å; W135-V139 PolarHBondContact O-N 2.75Å; C136-V139 PolarHBondContact O-N 2.82Å; M137-V139 VanDerWaalsContact C-N 3.35Å; V139-A141 VanDerWaalsContact C-N 3.28Å; V139-A141 PolarHBondContact O-N 2.99Å; V139-S142 WeakPolarHBondContact O-CB 3.31Å; V139-S142 PolarHBondContact O-N 2.87Å; V139-S142 PolarHBondContact O-OG 2.76Å; V139-E143 PolarHBondContact O-N 2.96Å
140	Y	72.9	Confident	72.8	Confident	29 Å²	29	64.3 Å²	64.3	11%	0.114	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-31.8	-177.7	-63.8	-52.3	0	0	0	113.1	C136 M137 S142 E143 H147 L150	C136-Y140 HydrophobicContact CB-CD2 4.23Å; C136-Y140 HydrophobicContact CB-CE2 3.89Å; C136-Y140 WeakPolarHBondContact O-CD2 3.4Å; C136-Y140 PolarHBondContact O-N 2.9Å; M137-Y140 HydrophobicContact CE-CD2 3.93Å; Y140-S142 PolarHBondContact O-N 2.9Å; Y140-E143 PolarHBondContact O-N 3.42Å; Y140-H147 HydrophobicContact CD1-CB 3.65Å; Y140-H147 HydrophobicContact CE1-CB 4Å; Y140-H147 AromaticContact CE1-CD2 3.82Å; Y140-H147 HydrophobicContact CG-CB 4.06Å; Y140-L150 HydrophobicContact CE1-CD1 4.03Å; Y140-L150 WeakPolarHBondContact OH-CD1 3.31Å
141	A	68.8	Low	71.7	Confident	82 Å²	82	64.6 Å²	64.6	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-63.4	-29.2	173.5	0	0	0	0	0	112.9	M137 V139	M137-A141 VanDerWaalsContact O-CB 3.22Å; M137-A141 WeakPolarHBondContact O-CB 3.49Å; M137-A141 PolarHBondContact O-N 3.23Å; V139-A141 VanDerWaalsContact C-N 3.28Å; V139-A141 PolarHBondContact O-N 2.99Å
142	S	64.1	Low	71	Confident	92 Å²	92	72.1 Å²	72.1	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-78.4	-29.7	177.9	77.8	0	0	0	0	113.6	E138 V139 Y140	E138-S142 PolarHBondContact O-N 3.07Å; V139-S142 WeakPolarHBondContact O-CB 3.31Å; V139-S142 PolarHBondContact O-N 2.87Å; V139-S142 PolarHBondContact O-OG 2.76Å; Y140-S142 PolarHBondContact O-N 2.9Å
143	E	62.2	Low	70.6	Confident	80 Å²	80	71.6 Å²	71.6	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-84.6	-9.3	-171	-67.9	173.7	143.9	0	0	113.9	V139 Y140 E145 R1012	V139-E143 PolarHBondContact O-N 2.96Å; Y140-E143 PolarHBondContact O-N 3.42Å; E143-E145 HydrophobicContact CB-CB 4.37Å; E143-E145 PolarHBondContact O-N 3.47Å; E143-E145 VanDerWaalsContact O-N 3.11Å; E143-R1012 VanDerWaalsContact CD-NH1 3.31Å; E143-R1012 VanDerWaalsContact CD-NH2 3.27Å; E143-R1012 IonicContact OE1-CZ 2.93Å; E143-R1012 VanDerWaalsContact OE1-CZ 3.31Å; E143-R1012 IonicContact OE1-NH1 3.24Å; E143-R1012 PolarHBondContact OE1-NH1 3.05Å; E143-R1012 IonicContact OE1-NH2 2.78Å; E143-R1012 PolarHBondContact OE1-NH2 2.71Å; E143-R1012 IonicContact OE2-CZ 3.89Å; E143-R1012 IonicContact OE2-NH1 3.41Å; E143-R1012 PolarHBondContact OE2-NH1 3.14Å; E143-R1012 IonicContact OE2-NH2 3.61Å; E143-R1012 PolarHBondContact OE2-NH2 3.02Å
144	K	50.8	Low	70.3	Confident	197 Å²	197	71.7 Å²	71.7	86%	0.857	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	13.7	-174.1	-64.8	-174.8	175.2	-179.7	0	115.2
145	E	48.5	Very low	70.2	Confident	105 Å²	105	78 Å²	78	49%	0.491	41%	0.405	S	S	.	.			trans	-88.7	147.2	-173.6	-131.5	167.5	-164.6	0	0	111.1	E143 H147 R1012	E143-E145 HydrophobicContact CB-CB 4.37Å; E143-E145 PolarHBondContact O-N 3.47Å; E143-E145 VanDerWaalsContact O-N 3.11Å; E145-H147 VanDerWaalsContact CD-CE1 3.47Å; E145-H147 PolarHBondContact O-N 2.92Å; E145-H147 IonicContact OE2-CD2 2.68Å; E145-H147 IonicContact OE2-CE1 2.82Å; E145-H147 PolarHBondContact OE2-CE1 2.72Å; E145-H147 IonicContact OE2-NE2 3.82Å; E145-H147 PolarHBondContact OE2-NE2 3.06Å; E145-R1012 IonicContact OE2-NH1 2.91Å
146	Q	48.8	Very low	70.2	Confident	190 Å²	190	77.8 Å²	77.8	89%	0.888	41%	0.406	S	S	*	.			trans	-77.5	55.9	-176.4	-65.8	179.4	-77.2	0	0	111.9
147	H	52.3	Low	70.5	Confident	53 Å²	53	77.9 Å²	77.9	25%	0.245	41%	0.406	C	S	.	.			trans	-101.4	13.1	-166.5	-80.7	35.3	0	0	0	114.8	Y140 E145 D149 L150	Y140-H147 HydrophobicContact CD1-CB 3.65Å; Y140-H147 HydrophobicContact CE1-CB 4Å; Y140-H147 AromaticContact CE1-CD2 3.82Å; Y140-H147 HydrophobicContact CG-CB 4.06Å; E145-H147 VanDerWaalsContact CD-CE1 3.47Å; E145-H147 PolarHBondContact O-N 2.92Å; E145-H147 IonicContact OE2-CD2 2.68Å; E145-H147 IonicContact OE2-CE1 2.82Å; E145-H147 PolarHBondContact OE2-CE1 2.72Å; E145-H147 IonicContact OE2-NE2 3.82Å; E145-H147 PolarHBondContact OE2-NE2 3.06Å; H147-D149 PolarHBondContact O-N 3.49Å; H147-D149 VanDerWaalsContact O-N 3.14Å; H147-L150 HydrophobicContact CB-CD1 4.12Å; H147-L150 HydrophobicContact CB-CG 4.48Å; H147-L150 WeakPolarHBondContact CD2-CD1 3.5Å; H147-L150 WeakPolarHBondContact O-CB 3.46Å; H147-L150 PolarHBondContact O-N 3.25Å
148	G	51.4	Low	70.8	Confident	34 Å²	34	78.6 Å²	78.6	35%	0.351	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-57.7	-26.3	174.8	0	0	0	0	0	113.9	L150 C151	G148-L150 PolarHBondContact O-N 2.99Å; G148-C151 PolarHBondContact O-N 3.43Å
149	D	58.4	Low	71.3	Confident	131 Å²	131	77.7 Å²	77.7	70%	0.701	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-69.1	-15.6	178.2	-56.8	-14.7	0	0	0	113	H147 C151	H147-D149 PolarHBondContact O-N 3.49Å; H147-D149 VanDerWaalsContact O-N 3.14Å; D149-C151 VanDerWaalsContact C-N 3.33Å; D149-C151 PolarHBondContact O-N 3.45Å
150	L	62	Low	72.1	Confident	47 Å²	47	77.4 Å²	77.4	25%	0.246	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-78.2	-11.8	-179.7	-66.4	-177.3	0	0	0	114.4	Y140 H147 G148 S538	Y140-L150 HydrophobicContact CE1-CD1 4.03Å; Y140-L150 WeakPolarHBondContact OH-CD1 3.31Å; H147-L150 HydrophobicContact CB-CD1 4.12Å; H147-L150 HydrophobicContact CB-CG 4.48Å; H147-L150 WeakPolarHBondContact CD2-CD1 3.5Å; H147-L150 WeakPolarHBondContact O-CB 3.46Å; H147-L150 PolarHBondContact O-N 3.25Å; G148-L150 PolarHBondContact O-N 2.99Å; L150-S538 WeakPolarHBondContact O-CB 3.14Å; L150-S538 PolarHBondContact O-OG 2.63Å
151	C	73	Confident	73.2	Confident	9 Å²	9	77.4 Å²	77.4	6%	0.061	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-10.2	173.4	-80.5	0	0	0	0	114.1	G148 D149 C534 S535	G148-C151 PolarHBondContact O-N 3.43Å; D149-C151 VanDerWaalsContact C-N 3.33Å; D149-C151 PolarHBondContact O-N 3.45Å; C151-C534 HydrophobicContact CB-CB 3.57Å; C151-C534 WeakPolarHBondContact CB-SG 3.43Å; C151-C534 CarbonylContact O-C 3.59Å; C151-C534 WeakPolarHBondContact O-CA 3.37Å; C151-C534 WeakPolarHBondContact SG-CB 3.42Å; C151-C534 CovalentContact SG-SG 2.04Å; C151-C534 PolarHBondContact SG-SG 2.7Å; C151-S535 PolarHBondContact O-N 3.48Å
152	R	79.9	Confident	74.5	Confident	164 Å²	164	79.8 Å²	79.8	62%	0.619	41%	0.406	S	S	*	.	S	Bend	trans	-93.5	150.7	179	-69.5	-176.9	173.4	-154.2	-6.7	111.7
153	P	85.4	Confident	76	Confident	28 Å²	28	78.4 Å²	78.4	18%	0.182	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-70.4	157.1	165.9	34	-35.9	0	0	0	110.3	V157 T158 W537	P153-V157 HydrophobicContact CB-CB 4.01Å; P153-V157 HydrophobicContact CB-CG1 3.72Å; P153-V157 HydrophobicContact CG-CG1 4.17Å; P153-T158 HydrophobicContact CG-CG2 4.06Å; P153-W537 HydrophobicContact CB-CB 4.5Å
154	G	86.2	Confident	77.6	Confident	30 Å²	30	74.8 Å²	74.8	31%	0.309	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-69.8	165.5	178.4	0	0	0	0	0	113.8	H156 V157 T158	G154-H156 PolarHBondContact O-N 2.88Å; G154-V157 WeakPolarHBondContact O-CB 3.46Å; G154-V157 PolarHBondContact O-N 2.92Å; G154-T158 PolarHBondContact O-N 2.91Å; G154-T158 VanDerWaalsContact O-N 3.11Å
155	E	88.8	Confident	79.8	Confident	154 Å²	154	66.1 Å²	66.1	72%	0.72	34%	0.338	S	S	*	.	H	α-helix	trans	-61.5	-31.3	-176	-174.2	172.1	-166.3	0	0	113.3	V157 T158 S159	E155-V157 PolarHBondContact O-N 3.46Å; E155-T158 WeakPolarHBondContact CA-OG1 3.46Å; E155-T158 PolarHBondContact O-N 2.85Å; E155-T158 PolarHBondContact O-OG1 2.96Å; E155-S159 WeakPolarHBondContact O-CB 3.02Å; E155-S159 PolarHBondContact O-N 2.74Å
156	H	91.8	Very high	82	Confident	33 Å²	33	69 Å²	69	15%	0.153	35%	0.351	C	S	.	.	H	α-helix	trans	-59.7	-32.4	172.8	62.5	-63.5	0	0	0	112.6	G154 R160 E439 Q442 V443	G154-H156 PolarHBondContact O-N 2.88Å; H156-R160 VanDerWaalsContact O-CA 3.29Å; H156-R160 WeakPolarHBondContact O-CA 3.38Å; H156-R160 WeakPolarHBondContact O-CB 3.27Å; H156-R160 PolarHBondContact O-N 3.12Å; H156-E439 PolarHBondContact CD2-O 3.45Å; H156-Q442 PolarHBondContact CE1-OE1 3.12Å; H156-Q442 PolarHBondContact NE2-OE1 2.95Å; H156-V443 WeakPolarHBondContact O-CG2 3.48Å
157	V	92.1	Very high	84.3	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-81.5	-43.7	173.4	165.3	0	0	0	0	111.5	P153 G154 E155 S159 R160 Q442 V443 E446	P153-V157 HydrophobicContact CB-CB 4.01Å; P153-V157 HydrophobicContact CB-CG1 3.72Å; P153-V157 HydrophobicContact CG-CG1 4.17Å; G154-V157 WeakPolarHBondContact O-CB 3.46Å; G154-V157 PolarHBondContact O-N 2.92Å; E155-V157 PolarHBondContact O-N 3.46Å; V157-S159 PolarHBondContact O-N 3.27Å; V157-R160 VanDerWaalsContact O-CB 3.31Å; V157-R160 WeakPolarHBondContact O-CB 3.38Å; V157-R160 VanDerWaalsContact O-CD 3.25Å; V157-R160 WeakPolarHBondContact O-CD 3.26Å; V157-R160 WeakPolarHBondContact O-CG 3.36Å; V157-R160 PolarHBondContact O-N 3.43Å; V157-R160 PolarHBondContact O-NH1 3.01Å; V157-Q442 HydrophobicContact CG2-CB 3.93Å; V157-V443 HydrophobicContact CG2-CG2 4.27Å; V157-E446 HydrophobicContact CG1-CB 4.47Å; V157-E446 HydrophobicContact CG1-CG 3.72Å; V157-E446 HydrophobicContact CG2-CG 4.31Å
158	T	89.9	Confident	86.4	Confident	86 Å²	86	60.3 Å²	60.3	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-37.1	-177.4	58.9	0	0	0	0	112.5	P153 G154 E155	P153-T158 HydrophobicContact CG-CG2 4.06Å; G154-T158 PolarHBondContact O-N 2.91Å; G154-T158 VanDerWaalsContact O-N 3.11Å; E155-T158 WeakPolarHBondContact CA-OG1 3.46Å; E155-T158 PolarHBondContact O-N 2.85Å; E155-T158 PolarHBondContact O-OG1 2.96Å
159	S	91.7	Very high	88.5	Confident	47 Å²	47	60.7 Å²	60.7	33%	0.329	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.3	178.3	-63.4	0	0	0	0	114.1	E155 V157 F161 K162 N163	E155-S159 WeakPolarHBondContact O-CB 3.02Å; E155-S159 PolarHBondContact O-N 2.74Å; V157-S159 PolarHBondContact O-N 3.27Å; S159-F161 VanDerWaalsContact C-N 3.35Å; S159-F161 PolarHBondContact O-N 3.42Å; S159-K162 PolarHBondContact O-N 3.37Å; S159-K162 VanDerWaalsContact O-N 3.14Å; S159-N163 PolarHBondContact O-N 2.92Å; S159-N163 PolarHBondContact O-OD1 3.11Å
160	R	95.6	Very high	90.2	Very high	33 Å²	33	55.1 Å²	55.1	13%	0.125	28%	0.282	C	S	.	.	H	α-helix	trans	-43.7	-47.1	-167.3	65.4	-168.2	173.7	-81.8	2	116	H156 V157 K162 N163 E164 V443 M447 D451	H156-R160 VanDerWaalsContact O-CA 3.29Å; H156-R160 WeakPolarHBondContact O-CA 3.38Å; H156-R160 WeakPolarHBondContact O-CB 3.27Å; H156-R160 PolarHBondContact O-N 3.12Å; V157-R160 VanDerWaalsContact O-CB 3.31Å; V157-R160 WeakPolarHBondContact O-CB 3.38Å; V157-R160 VanDerWaalsContact O-CD 3.25Å; V157-R160 WeakPolarHBondContact O-CD 3.26Å; V157-R160 WeakPolarHBondContact O-CG 3.36Å; V157-R160 PolarHBondContact O-N 3.43Å; V157-R160 PolarHBondContact O-NH1 3.01Å; R160-K162 PolarHBondContact O-N 2.94Å; R160-N163 PolarHBondContact O-N 3.18Å; R160-E164 WeakPolarHBondContact O-CB 3.39Å; R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.18Å; R160-V443 HydrophobicContact CB-CG1 4.13Å; R160-V443 HydrophobicContact CB-CG2 4.13Å; R160-M447 HydrophobicContact CG-CG 4.11Å; R160-M447 HydrophobicContact CG-SD 4.47Å; R160-D451 IonicContact CZ-OD1 3.48Å; R160-D451 IonicContact CZ-OD2 3.76Å; R160-D451 VanDerWaalsContact CZ-OD2 3.24Å; R160-D451 IonicContact NE-OD1 3.67Å; R160-D451 IonicContact NE-OD2 3.8Å; R160-D451 PolarHBondContact NE-OD2 2.85Å; R160-D451 IonicContact NH2-OD1 3.7Å; R160-D451 PolarHBondContact NH2-OD1 3.09Å; R160-D451 IonicContact NH2-OD2 2.71Å; R160-D451 PolarHBondContact NH2-OD2 3Å
161	F	95.7	Very high	91.8	Very high	28 Å²	28	54 Å²	54	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-45.5	-174.5	179.1	-99.4	0	0	0	112.2	S159 E164 V165 I178 E194 I196 M447	S159-F161 VanDerWaalsContact C-N 3.35Å; S159-F161 PolarHBondContact O-N 3.42Å; F161-E164 PolarHBondContact O-N 2.93Å; F161-V165 HydrophobicContact CE1-CG2 4.16Å; F161-V165 HydrophobicContact CE2-CG2 4.47Å; F161-V165 HydrophobicContact CZ-CG2 4.11Å; F161-V165 VanDerWaalsContact O-CG2 3.32Å; F161-V165 WeakPolarHBondContact O-CG2 3.47Å; F161-V165 PolarHBondContact O-N 2.96Å; F161-I178 HydrophobicContact CE1-CD1 3.88Å; F161-I178 HydrophobicContact CE1-CG1 3.94Å; F161-I178 HydrophobicContact CE1-CG2 4.15Å; F161-I178 HydrophobicContact CZ-CD1 4.47Å; F161-I178 HydrophobicContact CZ-CG1 4.07Å; F161-I178 HydrophobicContact CZ-CG2 4.35Å; F161-E194 HydrophobicContact CD1-CB 3.79Å; F161-E194 HydrophobicContact CD1-CG 4.27Å; F161-E194 WeakPolarHBondContact CD1-OE2 3.33Å; F161-E194 HydrophobicContact CD2-CB 4.48Å; F161-E194 HydrophobicContact CE1-CB 3.32Å; F161-E194 HydrophobicContact CE1-CG 4.05Å; F161-E194 HydrophobicContact CE2-CB 4.08Å; F161-E194 HydrophobicContact CG-CB 4.36Å; F161-E194 HydrophobicContact CZ-CB 3.49Å; F161-E194 VanDerWaalsContact CZ-CB 3.49Å; F161-I196 HydrophobicContact CE2-CG1 4.16Å; F161-I196 HydrophobicContact CZ-CG1 4.02Å; F161-M447 HydrophobicContact CD2-CE 4.38Å
162	K	95	Very high	92.8	Very high	133 Å²	133	56.5 Å²	56.5	58%	0.578	29%	0.288	S	S	*	.	H	α-helix	trans	-71.5	-41.9	-179.9	-66.3	176.8	-177.6	173	0	111	S159 R160 E164 V165 E166	S159-K162 PolarHBondContact O-N 3.37Å; S159-K162 VanDerWaalsContact O-N 3.14Å; R160-K162 PolarHBondContact O-N 2.94Å; K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 3.05Å; K162-V165 PolarHBondContact O-N 3.11Å; K162-E166 PolarHBondContact O-N 3.06Å
163	N	96	Very high	93.2	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-43	175.8	-62.9	1.9	0	0	0	111.2	S159 R160 R167	S159-N163 PolarHBondContact O-N 2.92Å; S159-N163 PolarHBondContact O-OD1 3.11Å; R160-N163 PolarHBondContact O-N 3.18Å; N163-R167 WeakPolarHBondContact O-CB 3.27Å; N163-R167 PolarHBondContact O-N 2.91Å
164	E	96.8	Very high	93.5	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.019	31%	0.314	C	S	.	.	H	α-helix	trans	-71.6	-38.1	178.7	-74.1	-63.4	95.3	0	0	113.2	R160 F161 K162 E166 R167 M168 Y434 Y435 V443 M447	R160-E164 WeakPolarHBondContact O-CB 3.39Å; R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.18Å; F161-E164 PolarHBondContact O-N 2.93Å; K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 3.05Å; E164-E166 VanDerWaalsContact C-N 3.34Å; E164-E166 PolarHBondContact O-N 3.49Å; E164-R167 PolarHBondContact O-N 3.33Å; E164-R167 IonicContact OE1-CZ 3.6Å; E164-R167 IonicContact OE1-NE 3.48Å; E164-R167 PolarHBondContact OE1-NE 2.63Å; E164-R167 IonicContact OE1-NH2 3.22Å; E164-R167 PolarHBondContact OE1-NH2 3.43Å; E164-R167 IonicContact OE2-CZ 2.71Å; E164-R167 IonicContact OE2-NE 3.44Å; E164-R167 IonicContact OE2-NH2 3.35Å; E164-R167 PolarHBondContact OE2-NH2 3.37Å; E164-M168 HydrophobicContact CB-CE 4.32Å; E164-M168 WeakPolarHBondContact O-CB 3.45Å; E164-M168 VanDerWaalsContact O-CG 3.29Å; E164-M168 WeakPolarHBondContact O-CG 3.35Å; E164-M168 PolarHBondContact O-N 2.85Å; E164-M168 VanDerWaalsContact OE2-CE 3.29Å; E164-M168 WeakPolarHBondContact OE2-CE 3.37Å; E164-Y434 WeakPolarHBondContact OE1-CE1 3.42Å; E164-Y435 VanDerWaalsContact OE2-CE1 3.24Å; E164-Y435 WeakPolarHBondContact OE2-CE1 3.21Å; E164-Y435 PolarHBondContact OE2-OH 3.04Å; E164-V443 HydrophobicContact CG-CG1 3.77Å; E164-M447 HydrophobicContact CB-SD 4.12Å; E164-M447 HydrophobicContact CG-SD 3.7Å
165	V	95.9	Very high	94	Very high	16 Å²	16	58 Å²	58	10%	0.097	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-45	173.5	168.9	0	0	0	0	110.9	F161 K162 G169 F170 M172 I196	F161-V165 HydrophobicContact CE1-CG2 4.16Å; F161-V165 HydrophobicContact CE2-CG2 4.47Å; F161-V165 HydrophobicContact CZ-CG2 4.11Å; F161-V165 VanDerWaalsContact O-CG2 3.32Å; F161-V165 WeakPolarHBondContact O-CG2 3.47Å; F161-V165 PolarHBondContact O-N 2.96Å; K162-V165 PolarHBondContact O-N 3.11Å; V165-G169 PolarHBondContact O-N 2.87Å; V165-F170 HydrophobicContact CG1-CD2 4.45Å; V165-M172 HydrophobicContact CG1-CG 4.13Å; V165-M172 HydrophobicContact CG1-SD 3.85Å; V165-I196 HydrophobicContact CG2-CD1 3.73Å; V165-I196 HydrophobicContact CG2-CG1 4.29Å
166	E	95.6	Very high	94.4	Very high	164 Å²	164	50.6 Å²	50.6	77%	0.766	27%	0.265	S	S	*	.	H	α-helix	trans	-67.8	-48.4	176.4	-175.4	170.7	-172.8	0	0	111.6	K162 E164 M168 G169	K162-E166 PolarHBondContact O-N 3.06Å; E164-E166 VanDerWaalsContact C-N 3.34Å; E164-E166 PolarHBondContact O-N 3.49Å; E166-M168 PolarHBondContact O-N 3.4Å; E166-G169 PolarHBondContact O-N 3.3Å
167	R	96.9	Very high	94.7	Very high	58 Å²	58	51.4 Å²	51.4	22%	0.219	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-38.8	-177.3	-169.7	-172	67.4	78.3	1.6	112.7	N163 E164 G169 Q226 D432 Y434 Y435	N163-R167 WeakPolarHBondContact O-CB 3.27Å; N163-R167 PolarHBondContact O-N 2.91Å; E164-R167 PolarHBondContact O-N 3.33Å; E164-R167 IonicContact OE1-CZ 3.6Å; E164-R167 IonicContact OE1-NE 3.48Å; E164-R167 PolarHBondContact OE1-NE 2.63Å; E164-R167 IonicContact OE1-NH2 3.22Å; E164-R167 PolarHBondContact OE1-NH2 3.43Å; E164-R167 IonicContact OE2-CZ 2.71Å; E164-R167 IonicContact OE2-NE 3.44Å; E164-R167 IonicContact OE2-NH2 3.35Å; E164-R167 PolarHBondContact OE2-NH2 3.37Å; R167-G169 VanDerWaalsContact C-N 3.27Å; R167-G169 PolarHBondContact O-N 3.29Å; R167-Q226 PolarHBondContact O-NE2 3.19Å; R167-D432 IonicContact CZ-OD2 3.41Å; R167-D432 VanDerWaalsContact CZ-OD2 3.22Å; R167-D432 VanDerWaalsContact NH1-CG 3.35Å; R167-D432 IonicContact NH1-OD1 2.71Å; R167-D432 PolarHBondContact NH1-OD1 2.96Å; R167-D432 IonicContact NH1-OD2 3.27Å; R167-D432 PolarHBondContact NH1-OD2 3.31Å; R167-D432 IonicContact NH2-OD2 2.81Å; R167-D432 PolarHBondContact NH2-OD2 3.39Å; R167-Y434 VanDerWaalsContact NE-CD1 3.28Å; R167-Y435 PolarHBondContact NH2-OH 2.84Å
168	M	95.8	Very high	95	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-76.1	-14.7	176.9	-67.1	-176.8	-164.3	0	0	113.7	E164 E166 F170 Y223 R224 Y435	E164-M168 HydrophobicContact CB-CE 4.32Å; E164-M168 WeakPolarHBondContact O-CB 3.45Å; E164-M168 VanDerWaalsContact O-CG 3.29Å; E164-M168 WeakPolarHBondContact O-CG 3.35Å; E164-M168 PolarHBondContact O-N 2.85Å; E164-M168 VanDerWaalsContact OE2-CE 3.29Å; E164-M168 WeakPolarHBondContact OE2-CE 3.37Å; E166-M168 PolarHBondContact O-N 3.4Å; M168-F170 HydrophobicContact CB-CD2 3.84Å; M168-F170 HydrophobicContact CB-CE2 3.64Å; M168-F170 HydrophobicContact CG-CE2 4.19Å; M168-F170 HydrophobicContact SD-CE2 3.53Å; M168-F170 VanDerWaalsContact SD-CE2 3.53Å; M168-F170 HydrophobicContact SD-CZ 3.92Å; M168-Y223 HydrophobicContact CE-CD2 3.84Å; M168-Y223 HydrophobicContact SD-CD2 4.06Å; M168-R224 HydrophobicContact CB-CB 4.22Å; M168-R224 PolarHBondContact O-NH1 2.69Å; M168-R224 PolarHBondContact SD-N 3.33Å; M168-R224 VanDerWaalsContact SD-N 3.38Å; M168-Y435 WeakPolarHBondContact CE-OH 3.41Å
169	G	95.3	Very high	95.3	Very high	41 Å²	41	49.8 Å²	49.8	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	41.2	176.3	0	0	0	0	0	114.1	V165 E166 R167 R224	V165-G169 PolarHBondContact O-N 2.87Å; E166-G169 PolarHBondContact O-N 3.3Å; R167-G169 VanDerWaalsContact C-N 3.27Å; R167-G169 PolarHBondContact O-N 3.29Å; G169-R224 PolarHBondContact O-NE 2.96Å; G169-R224 PolarHBondContact O-NH1 2.87Å
170	F	95.1	Very high	95.6	Very high	14 Å²	14	52.1 Å²	52.1	6%	0.061	26%	0.263	C	S	.	.			trans	-60	134.5	173.2	-71.8	-88.8	0	0	0	111.5	V165 M168 M172 W176 I196 V221 R224	V165-F170 HydrophobicContact CG1-CD2 4.45Å; M168-F170 HydrophobicContact CB-CD2 3.84Å; M168-F170 HydrophobicContact CB-CE2 3.64Å; M168-F170 HydrophobicContact CG-CE2 4.19Å; M168-F170 HydrophobicContact SD-CE2 3.53Å; M168-F170 VanDerWaalsContact SD-CE2 3.53Å; M168-F170 HydrophobicContact SD-CZ 3.92Å; F170-M172 VanDerWaalsContact C-N 3.32Å; F170-M172 HydrophobicContact CB-CG 4.36Å; F170-M172 HydrophobicContact CB-SD 3.6Å; F170-M172 HydrophobicContact CG-SD 4.49Å; F170-M172 PolarHBondContact O-N 3.42Å; F170-W176 AromaticContact CD1-CD1 3.64Å; F170-W176 HydrophobicContact CD1-CD2 4.26Å; F170-W176 AromaticContact CD1-CG 3.9Å; F170-W176 HydrophobicContact CD1-CG 3.9Å; F170-W176 AromaticContact CD1-NE1 3.81Å; F170-I196 HydrophobicContact CD1-CG2 4.24Å; F170-I196 HydrophobicContact CD2-CD1 4.29Å; F170-I196 HydrophobicContact CE1-CD1 4.31Å; F170-I196 HydrophobicContact CE1-CG2 4.1Å; F170-I196 HydrophobicContact CE2-CD1 3.71Å; F170-I196 HydrophobicContact CZ-CD1 3.73Å; F170-V221 HydrophobicContact CE1-CG1 3.72Å; F170-V221 HydrophobicContact CZ-CG1 4.05Å; F170-R224 HydrophobicContact CD1-CB 4Å; F170-R224 HydrophobicContact CD1-CG 4.44Å; F170-R224 HydrophobicContact CD2-CB 4.49Å; F170-R224 HydrophobicContact CE1-CB 3.54Å; F170-R224 HydrophobicContact CE1-CG 4.4Å; F170-R224 HydrophobicContact CE2-CB 4.09Å; F170-R224 HydrophobicContact CG-CB 4.46Å; F170-R224 HydrophobicContact CZ-CB 3.59Å
171	D	94.5	Very high	95.7	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.128	26%	0.262	C	S	.	.			trans	-76.8	86.2	169.4	-173.9	5.4	0	0	0	111.6	N173 N174 A175 W176 D264	D171-N173 PolarHBondContact O-N 2.9Å; D171-N173 VanDerWaalsContact O-N 3.17Å; D171-N173 WeakPolarHBondContact OD1-CB 3.36Å; D171-N173 PolarHBondContact OD1-N 3.4Å; D171-N173 PolarHBondContact OD1-ND2 2.97Å; D171-N173 VanDerWaalsContact OD1-ND2 3.12Å; D171-N174 PolarHBondContact OD1-N 3.24Å; D171-N174 PolarHBondContact OD1-ND2 2.94Å; D171-N174 WeakPolarHBondContact OD2-CB 3.48Å; D171-N174 PolarHBondContact OD2-ND2 3.41Å; D171-A175 HydrophobicContact CB-CB 4.31Å; D171-A175 PolarHBondContact O-N 3.48Å; D171-A175 VanDerWaalsContact O-N 3.09Å; D171-W176 PolarHBondContact O-N 2.86Å; D171-D264 PolarHBondContact N-OD2 3.42Å
172	M	94.1	Very high	95.9	Very high	62 Å²	62	50.3 Å²	50.3	31%	0.305	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-1.9	177.4	-57.1	-50.1	-55.7	0	0	114.7	V165 F170 W176 I178	V165-M172 HydrophobicContact CG1-CG 4.13Å; V165-M172 HydrophobicContact CG1-SD 3.85Å; F170-M172 VanDerWaalsContact C-N 3.32Å; F170-M172 HydrophobicContact CB-CG 4.36Å; F170-M172 HydrophobicContact CB-SD 3.6Å; F170-M172 HydrophobicContact CG-SD 4.49Å; F170-M172 PolarHBondContact O-N 3.42Å; M172-W176 CarbonylContact C-O 3.43Å; M172-W176 WeakPolarHBondContact CA-O 3.42Å; M172-W176 HydrophobicContact CE-CB 4.45Å; M172-W176 HydrophobicContact SD-CB 4.1Å; M172-I178 HydrophobicContact CE-CB 4.5Å; M172-I178 HydrophobicContact CE-CD1 4.17Å; M172-I178 HydrophobicContact CE-CG1 3.78Å
173	N	90	Very high	96	Very high	141 Å²	141	47.3 Å²	47.3	75%	0.754	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-31.1	-178.6	-49.9	-88.1	0	0	0	112.4	D171	D171-N173 PolarHBondContact O-N 2.9Å; D171-N173 VanDerWaalsContact O-N 3.17Å; D171-N173 WeakPolarHBondContact OD1-CB 3.36Å; D171-N173 PolarHBondContact OD1-N 3.4Å; D171-N173 PolarHBondContact OD1-ND2 2.97Å; D171-N173 VanDerWaalsContact OD1-ND2 3.12Å
174	N	91.3	Very high	96	Very high	111 Å²	111	51 Å²	51	59%	0.594	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-38	-172.1	-51.3	-77.6	0	0	0	114	D171	D171-N174 PolarHBondContact OD1-N 3.24Å; D171-N174 PolarHBondContact OD1-ND2 2.94Å; D171-N174 WeakPolarHBondContact OD2-CB 3.48Å; D171-N174 PolarHBondContact OD2-ND2 3.41Å
175	A	95.2	Very high	96	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-41	-170.8	0	0	0	0	0	112.9	D171 P198 A199 A260 D264	D171-A175 HydrophobicContact CB-CB 4.31Å; D171-A175 PolarHBondContact O-N 3.48Å; D171-A175 VanDerWaalsContact O-N 3.09Å; A175-P198 WeakPolarHBondContact O-CA 3.35Å; A175-A199 PolarHBondContact O-N 3.03Å; A175-A260 HydrophobicContact CB-CB 4.46Å; A175-A260 WeakPolarHBondContact O-CB 3.45Å; A175-D264 HydrophobicContact CB-CB 3.75Å
176	W	97.8	Very high	96.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.4	-172.2	-51.6	101.7	0	0	0	112.5	F170 D171 M172 I196 V197 P198 V221 V231 V257 A260 D264	F170-W176 AromaticContact CD1-CD1 3.64Å; F170-W176 HydrophobicContact CD1-CD2 4.26Å; F170-W176 AromaticContact CD1-CG 3.9Å; F170-W176 HydrophobicContact CD1-CG 3.9Å; F170-W176 AromaticContact CD1-NE1 3.81Å; D171-W176 PolarHBondContact O-N 2.86Å; M172-W176 CarbonylContact C-O 3.43Å; M172-W176 WeakPolarHBondContact CA-O 3.42Å; M172-W176 HydrophobicContact CE-CB 4.45Å; M172-W176 HydrophobicContact SD-CB 4.1Å; W176-I196 HydrophobicContact CB-CG2 4.18Å; W176-I196 HydrophobicContact CE3-CG2 4.38Å; W176-I196 HydrophobicContact CG-CG2 4.48Å; W176-V197 CarbonylContact C-O 3.18Å; W176-V197 WeakPolarHBondContact CA-O 3.44Å; W176-P198 HydrophobicContact CE3-CG 4.48Å; W176-P198 HydrophobicContact CZ3-CG 4.03Å; W176-V221 HydrophobicContact CE3-CG2 4.28Å; W176-V221 HydrophobicContact CH2-CG2 3.99Å; W176-V221 HydrophobicContact CZ3-CB 4.5Å; W176-V221 HydrophobicContact CZ3-CG2 3.59Å; W176-V231 HydrophobicContact CH2-CG1 4.19Å; W176-V231 HydrophobicContact CH2-CG2 4.09Å; W176-V231 HydrophobicContact CZ2-CG1 3.69Å; W176-V231 HydrophobicContact CZ2-CG2 4.32Å; W176-V257 HydrophobicContact CH2-CG1 4.28Å; W176-A260 HydrophobicContact CD2-CB 4.15Å; W176-A260 HydrophobicContact CE3-CB 3.98Å; W176-A260 HydrophobicContact CH2-CB 3.43Å; W176-A260 VanDerWaalsContact CH2-CB 3.43Å; W176-A260 HydrophobicContact CZ2-CB 3.62Å; W176-A260 HydrophobicContact CZ3-CB 3.61Å; W176-D264 PolarHBondContact NE1-OD2 3.22Å
177	R	97.7	Very high	96.1	Very high	50 Å²	50	51.7 Å²	51.7	19%	0.189	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.7	166	68.7	177.9	-175.3	93.4	5.7	110.6	V197 I201 D203	R177-V197 HydrophobicContact CG-CG2 3.67Å; R177-V197 PolarHBondContact N-O 2.98Å; R177-V197 PolarHBondContact O-N 3.27Å; R177-I201 PolarHBondContact NE-O 3.42Å; R177-I201 PolarHBondContact NH2-O 3.46Å; R177-D203 IonicContact CZ-OD1 3.19Å; R177-D203 VanDerWaalsContact CZ-OD1 3.24Å; R177-D203 IonicContact NH1-OD1 2.66Å; R177-D203 PolarHBondContact NH1-OD1 2.88Å; R177-D203 IonicContact NH1-OD2 2.72Å; R177-D203 PolarHBondContact NH1-OD2 2.9Å; R177-D203 IonicContact NH2-OD1 2.62Å; R177-D203 PolarHBondContact NH2-OD1 3.44Å
178	I	98.2	Very high	96.2	Very high	54 Å²	54	49.1 Å²	49.1	28%	0.277	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.5	161.5	-67.9	157.4	0	0	0	106.8	F161 M172 E194 L195	F161-I178 HydrophobicContact CE1-CD1 3.88Å; F161-I178 HydrophobicContact CE1-CG1 3.94Å; F161-I178 HydrophobicContact CE1-CG2 4.15Å; F161-I178 HydrophobicContact CZ-CD1 4.47Å; F161-I178 HydrophobicContact CZ-CG1 4.07Å; F161-I178 HydrophobicContact CZ-CG2 4.35Å; M172-I178 HydrophobicContact CE-CB 4.5Å; M172-I178 HydrophobicContact CE-CD1 4.17Å; M172-I178 HydrophobicContact CE-CG1 3.78Å; I178-E194 HydrophobicContact CG2-CB 3.92Å; I178-E194 HydrophobicContact CG2-CG 4.23Å; I178-L195 CarbonylContact C-O 3.54Å; I178-L195 WeakPolarHBondContact CA-O 3.18Å
179	S	98	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.1	165.5	178.3	0	0	0	0	110	I181 L195 D203	S179-I181 VanDerWaalsContact OG-CB 3.29Å; S179-I181 WeakPolarHBondContact OG-CB 3.36Å; S179-I181 WeakPolarHBondContact OG-CG2 3.36Å; S179-I181 PolarHBondContact OG-N 2.68Å; S179-I181 VanDerWaalsContact OG-N 3.08Å; S179-L195 PolarHBondContact N-O 3.47Å; S179-L195 PolarHBondContact O-N 3.34Å; S179-D203 WeakPolarHBondContact CB-OD1 3.29Å; S179-D203 PolarHBondContact OG-OD1 3.46Å
180	N	97.8	Very high	96.4	Very high	95 Å²	95	49.1 Å²	49.1	51%	0.508	25%	0.246	S	C	.	.			trans	-99.1	16.1	171	-67.1	-67.5	0	0	0	111.8	N182 E183	N180-N182 PolarHBondContact O-N 3.1Å; N180-E183 HydrophobicContact CB-CB 4.49Å; N180-E183 WeakPolarHBondContact O-CB 3.42Å; N180-E183 PolarHBondContact O-N 2.86Å
181	I	97.9	Very high	96.6	Very high	23 Å²	23	48.5 Å²	48.5	12%	0.118	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.2	-179.5	-166.5	171.9	0	0	0	112.5	S179 L187 L195 D203 L206 E207	S179-I181 VanDerWaalsContact OG-CB 3.29Å; S179-I181 WeakPolarHBondContact OG-CB 3.36Å; S179-I181 WeakPolarHBondContact OG-CG2 3.36Å; S179-I181 PolarHBondContact OG-N 2.68Å; S179-I181 VanDerWaalsContact OG-N 3.08Å; I181-L187 HydrophobicContact CD1-CD1 4Å; I181-L187 HydrophobicContact CD1-CD2 4.02Å; I181-L187 HydrophobicContact CG1-CB 4.44Å; I181-L187 HydrophobicContact CG1-CD1 4.37Å; I181-L187 HydrophobicContact CG1-CD2 4.3Å; I181-L187 HydrophobicContact CG2-CD2 3.78Å; I181-L195 HydrophobicContact CG2-CD1 4.41Å; I181-D203 HydrophobicContact CB-CB 4.39Å; I181-D203 HydrophobicContact CD1-CB 3.91Å; I181-D203 WeakPolarHBondContact CD1-O 3.41Å; I181-D203 HydrophobicContact CG1-CB 4.36Å; I181-L206 HydrophobicContact CD1-CB 3.79Å; I181-L206 HydrophobicContact CG2-CD1 4.1Å; I181-E207 HydrophobicContact CD1-CG 3.8Å
182	N	98.3	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	14.5	177.7	-151.8	36.6	0	0	0	113.5	N180 K184 Y185 K186 L187 C188 Y191 P192 Q193 L195	N180-N182 PolarHBondContact O-N 3.1Å; N182-K184 PolarHBondContact O-N 2.88Å; N182-Y185 VanDerWaalsContact O-CA 3.31Å; N182-Y185 WeakPolarHBondContact O-CA 3.47Å; N182-Y185 PolarHBondContact O-N 3.38Å; N182-Y185 VanDerWaalsContact OD1-C 3.24Å; N182-Y185 WeakPolarHBondContact OD1-CA 3.48Å; N182-K186 PolarHBondContact OD1-N 2.76Å; N182-L187 HydrophobicContact CB-CB 4.33Å; N182-L187 WeakPolarHBondContact OD1-CB 3.26Å; N182-L187 PolarHBondContact OD1-N 3.4Å; N182-C188 PolarHBondContact ND2-O 3.39Å; N182-C188 PolarHBondContact OD1-N 2.89Å; N182-C188 PolarHBondContact OD1-O 2.95Å; N182-Y191 PolarHBondContact ND2-O 3Å; N182-P192 PolarHBondContact ND2-O 3.35Å; N182-Q193 CarbonylContact C-O 3.47Å; N182-Q193 VanDerWaalsContact C-O 3.26Å; N182-Q193 WeakPolarHBondContact O-CA 3.43Å; N182-L195 HydrophobicContact CB-CD1 4.07Å
183	E	97.4	Very high	96.9	Very high	70 Å²	70	48.4 Å²	48.4	33%	0.327	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55.7	125.1	170.3	-173.4	-112.6	175	0	0	109.4	N180 Y185 K186 Q193	N180-E183 HydrophobicContact CB-CB 4.49Å; N180-E183 WeakPolarHBondContact O-CB 3.42Å; N180-E183 PolarHBondContact O-N 2.86Å; E183-Y185 PolarHBondContact O-N 2.84Å; E183-K186 WeakPolarHBondContact O-CD 3.34Å; E183-K186 WeakPolarHBondContact O-CE 3.39Å; E183-K186 WeakPolarHBondContact O-CG 3.45Å; E183-K186 PolarHBondContact O-NZ 3.1Å; E183-K186 IonicContact OE2-NZ 2.74Å; E183-K186 PolarHBondContact OE2-NZ 2.92Å; E183-Q193 PolarHBondContact N-O 3.23Å
184	K	96.2	Very high	97.2	Very high	140 Å²	140	44.3 Å²	44.3	61%	0.609	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	61.5	27.4	-170.4	-55.1	169.7	177.3	125.2	0	114.3	N182 K186	N182-K184 PolarHBondContact O-N 2.88Å; K184-K186 VanDerWaalsContact C-N 3.28Å; K184-K186 PolarHBondContact O-N 3.05Å
185	Y	97.5	Very high	97.6	Very high	46 Å²	46	39.1 Å²	39.1	18%	0.18	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	60.2	29.6	172.1	-47.4	-80.3	0	0	0	115	N182 E183 Y191 Q193 A521 K522	N182-Y185 VanDerWaalsContact O-CA 3.31Å; N182-Y185 WeakPolarHBondContact O-CA 3.47Å; N182-Y185 PolarHBondContact O-N 3.38Å; N182-Y185 VanDerWaalsContact OD1-C 3.24Å; N182-Y185 WeakPolarHBondContact OD1-CA 3.48Å; E183-Y185 PolarHBondContact O-N 2.84Å; Y185-Y191 WeakPolarHBondContact CD1-O 3.42Å; Y185-Q193 HydrophobicContact CD1-CG 3.91Å; Y185-Q193 HydrophobicContact CD2-CG 4.37Å; Y185-Q193 HydrophobicContact CE1-CG 3.5Å; Y185-Q193 HydrophobicContact CE2-CG 4.02Å; Y185-Q193 HydrophobicContact CG-CG 4.33Å; Y185-Q193 PolarHBondContact OH-NE2 2.92Å; Y185-A521 HydrophobicContact CE1-CB 4.09Å; Y185-A521 WeakPolarHBondContact OH-CB 3.43Å; Y185-A521 PolarHBondContact OH-O 3.4Å; Y185-K522 HydrophobicContact CD1-CB 4Å; Y185-K522 HydrophobicContact CD2-CB 3.6Å; Y185-K522 HydrophobicContact CD2-CD 4.39Å; Y185-K522 HydrophobicContact CD2-CG 3.63Å; Y185-K522 HydrophobicContact CE1-CB 4.23Å; Y185-K522 HydrophobicContact CE2-CB 3.85Å; Y185-K522 HydrophobicContact CE2-CG 4.17Å; Y185-K522 HydrophobicContact CG-CB 3.67Å; Y185-K522 HydrophobicContact CG-CD 4.35Å; Y185-K522 HydrophobicContact CG-CG 3.95Å
186	K	96.8	Very high	97.7	Very high	134 Å²	134	39.6 Å²	39.6	58%	0.583	19%	0.194	S	C	*	.	S	Bend	trans	-66.8	-36.4	-174.5	-63.5	171.1	-159.2	124.5	0	113.8	N182 E183 K184	N182-K186 PolarHBondContact OD1-N 2.76Å; E183-K186 WeakPolarHBondContact O-CD 3.34Å; E183-K186 WeakPolarHBondContact O-CE 3.39Å; E183-K186 WeakPolarHBondContact O-CG 3.45Å; E183-K186 PolarHBondContact O-NZ 3.1Å; E183-K186 IonicContact OE2-NZ 2.74Å; E183-K186 PolarHBondContact OE2-NZ 2.92Å; K184-K186 VanDerWaalsContact C-N 3.28Å; K184-K186 PolarHBondContact O-N 3.05Å
187	L	97.4	Very high	97.8	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.099	19%	0.194	C	C	.	.	S	Bend	trans	-84.5	-51.4	-176.7	-170.2	73.8	0	0	0	110.8	I181 N182 E207 A210 K216 I218	I181-L187 HydrophobicContact CD1-CD1 4Å; I181-L187 HydrophobicContact CD1-CD2 4.02Å; I181-L187 HydrophobicContact CG1-CB 4.44Å; I181-L187 HydrophobicContact CG1-CD1 4.37Å; I181-L187 HydrophobicContact CG1-CD2 4.3Å; I181-L187 HydrophobicContact CG2-CD2 3.78Å; N182-L187 HydrophobicContact CB-CB 4.33Å; N182-L187 WeakPolarHBondContact OD1-CB 3.26Å; N182-L187 PolarHBondContact OD1-N 3.4Å; L187-E207 HydrophobicContact CD1-CG 4.36Å; L187-A210 HydrophobicContact CD1-CB 3.53Å; L187-A210 HydrophobicContact CD2-CB 4.13Å; L187-A210 HydrophobicContact CG-CB 3.84Å; L187-K216 WeakPolarHBondContact O-CB 3.48Å; L187-K216 WeakPolarHBondContact O-CD 3.2Å; L187-I218 HydrophobicContact CD2-CD1 3.94Å
188	C	98.1	Very high	97.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.02	19%	0.185	C	C	.	.			trans	-142.7	115.6	-177	-179.3	0	0	0	0	110.5	N182 S190 Y191 W215 K216 R217	N182-C188 PolarHBondContact ND2-O 3.39Å; N182-C188 PolarHBondContact OD1-N 2.89Å; N182-C188 PolarHBondContact OD1-O 2.95Å; C188-S190 PolarHBondContact O-N 3.37Å; C188-S190 VanDerWaalsContact O-N 3.14Å; C188-S190 PolarHBondContact SG-OG 2.92Å; C188-Y191 HydrophobicContact CB-CG 4.36Å; C188-Y191 PolarHBondContact O-N 3.45Å; C188-W215 PolarHBondContact SG-O 3.34Å; C188-K216 HydrophobicContact CB-CB 4.05Å; C188-K216 WeakPolarHBondContact CB-O 3.41Å; C188-R217 VanDerWaalsContact SG-CG 3.55Å
189	G	97.7	Very high	97.7	Very high	31 Å²	31	36.4 Å²	36.4	32%	0.32	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.3	-179	0	0	0	0	0	115.7
190	S	97.6	Very high	97.7	Very high	14 Å²	14	41.1 Å²	41.1	10%	0.098	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	12	-175.8	60.8	0	0	0	0	114	C188 R217 F452 G453	C188-S190 PolarHBondContact O-N 3.37Å; C188-S190 VanDerWaalsContact O-N 3.14Å; C188-S190 PolarHBondContact SG-OG 2.92Å; S190-R217 VanDerWaalsContact CB-NH1 3.29Å; S190-R217 PolarHBondContact O-NH1 3.02Å; S190-R217 WeakPolarHBondContact OG-CD 3.44Å; S190-R217 PolarHBondContact OG-NH1 3.48Å; S190-F452 CarbonylContact O-C 3.54Å; S190-F452 VanDerWaalsContact O-O 3.13Å; S190-G453 WeakPolarHBondContact O-CA 3.22Å; S190-G453 PolarHBondContact O-N 3.36Å
191	Y	98.3	Very high	97.7	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.179	C	C	.	.	S	Bend	trans	-112.7	159.6	175.5	-96.4	23.4	0	0	0	111.1	N182 Y185 C188 L195 R217 I218 A220 R234 C235 D451 F452	N182-Y191 PolarHBondContact ND2-O 3Å; Y185-Y191 WeakPolarHBondContact CD1-O 3.42Å; C188-Y191 HydrophobicContact CB-CG 4.36Å; C188-Y191 PolarHBondContact O-N 3.45Å; Y191-L195 HydrophobicContact CD2-CD1 4.04Å; Y191-L195 HydrophobicContact CD2-CD2 3.64Å; Y191-L195 HydrophobicContact CE2-CD2 4.27Å; Y191-L195 HydrophobicContact CG-CD2 4.37Å; Y191-R217 HydrophobicContact CD1-CB 4.36Å; Y191-R217 HydrophobicContact CD1-CG 3.96Å; Y191-R217 HydrophobicContact CE1-CB 3.62Å; Y191-R217 HydrophobicContact CE1-CG 3.67Å; Y191-R217 PolarHBondContact OH-O 2.98Å; Y191-I218 HydrophobicContact CE2-CG1 4.05Å; Y191-I218 VanDerWaalsContact CE2-O 3.27Å; Y191-I218 WeakPolarHBondContact CE2-O 3.23Å; Y191-I218 PolarHBondContact OH-O 2.96Å; Y191-A220 HydrophobicContact CE2-CB 4.04Å; Y191-R234 PolarHBondContact OH-O 3.46Å; Y191-C235 WeakPolarHBondContact OH-CA 3.4Å; Y191-D451 CarbonylContact C-O 3.58Å; Y191-F452 AromaticContact CD1-CD1 3.64Å; Y191-F452 HydrophobicContact CD1-CD1 3.64Å; Y191-F452 AromaticContact CD1-CE1 3.96Å; Y191-F452 HydrophobicContact CD1-CE1 3.96Å; Y191-F452 HydrophobicContact CD2-CE1 4.12Å; Y191-F452 AromaticContact CE1-CD1 3.53Å; Y191-F452 HydrophobicContact CE1-CD1 3.53Å; Y191-F452 AromaticContact CE1-CE1 3.78Å; Y191-F452 HydrophobicContact CE1-CE1 3.78Å; Y191-F452 AromaticContact CE2-CE1 3.95Å; Y191-F452 HydrophobicContact CE2-CE1 3.95Å; Y191-F452 HydrophobicContact CG-CD1 4.19Å; Y191-F452 HydrophobicContact CG-CE1 4.11Å; Y191-F452 AromaticContact CZ-CD1 4Å; Y191-F452 AromaticContact CZ-CE1 3.76Å
192	P	97.6	Very high	97.8	Very high	13 Å²	13	38.8 Å²	38.8	8%	0.084	19%	0.194	C	C	.	.			trans	-59.3	161.7	166.8	23.1	-30.8	0	0	0	112.2	N182 L195 D451 F452	N182-P192 PolarHBondContact ND2-O 3.35Å; P192-L195 HydrophobicContact CG-CD2 3.89Å; P192-D451 HydrophobicContact CB-CB 4.17Å; P192-F452 HydrophobicContact CG-CD2 4.16Å; P192-F452 HydrophobicContact CG-CE1 4.24Å; P192-F452 HydrophobicContact CG-CE2 3.73Å; P192-F452 HydrophobicContact CG-CZ 3.77Å
193	Q	97.5	Very high	97.8	Very high	72 Å²	72	41.7 Å²	41.7	34%	0.336	21%	0.21	S	C	.	.	S	Bend	trans	-74.4	-33.1	-178.6	-65.2	-172.9	74.2	0	0	113.3	N182 E183 Y185	N182-Q193 CarbonylContact C-O 3.47Å; N182-Q193 VanDerWaalsContact C-O 3.26Å; N182-Q193 WeakPolarHBondContact O-CA 3.43Å; E183-Q193 PolarHBondContact N-O 3.23Å; Y185-Q193 HydrophobicContact CD1-CG 3.91Å; Y185-Q193 HydrophobicContact CD2-CG 4.37Å; Y185-Q193 HydrophobicContact CE1-CG 3.5Å; Y185-Q193 HydrophobicContact CE2-CG 4.02Å; Y185-Q193 HydrophobicContact CG-CG 4.33Å; Y185-Q193 PolarHBondContact OH-NE2 2.92Å
194	E	97.8	Very high	97.8	Very high	55 Å²	55	46 Å²	46	26%	0.257	23%	0.227	S	C	.	.	S	Bend	trans	-101.8	135.3	175.6	-63.1	177.1	93.8	0	0	109.2	F161 I178	F161-E194 HydrophobicContact CD1-CB 3.79Å; F161-E194 HydrophobicContact CD1-CG 4.27Å; F161-E194 WeakPolarHBondContact CD1-OE2 3.33Å; F161-E194 HydrophobicContact CD2-CB 4.48Å; F161-E194 HydrophobicContact CE1-CB 3.32Å; F161-E194 HydrophobicContact CE1-CG 4.05Å; F161-E194 HydrophobicContact CE2-CB 4.08Å; F161-E194 HydrophobicContact CG-CB 4.36Å; F161-E194 HydrophobicContact CZ-CB 3.49Å; F161-E194 VanDerWaalsContact CZ-CB 3.49Å; I178-E194 HydrophobicContact CG2-CB 3.92Å; I178-E194 HydrophobicContact CG2-CG 4.23Å
195	L	98.3	Very high	97.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.4	-176.6	-64.1	172.1	0	0	0	111.7	I178 S179 I181 N182 Y191 P192 I218 A220 F452	I178-L195 CarbonylContact C-O 3.54Å; I178-L195 WeakPolarHBondContact CA-O 3.18Å; S179-L195 PolarHBondContact N-O 3.47Å; S179-L195 PolarHBondContact O-N 3.34Å; I181-L195 HydrophobicContact CG2-CD1 4.41Å; N182-L195 HydrophobicContact CB-CD1 4.07Å; Y191-L195 HydrophobicContact CD2-CD1 4.04Å; Y191-L195 HydrophobicContact CD2-CD2 3.64Å; Y191-L195 HydrophobicContact CE2-CD2 4.27Å; Y191-L195 HydrophobicContact CG-CD2 4.37Å; P192-L195 HydrophobicContact CG-CD2 3.89Å; L195-I218 HydrophobicContact CD1-CD1 4.15Å; L195-A220 HydrophobicContact CD2-CB 4.08Å; L195-F452 HydrophobicContact CD2-CZ 4.43Å
196	I	98.5	Very high	98	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.046	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.5	176.9	-49	174.2	0	0	0	109.6	F161 V165 F170 W176 V221	F161-I196 HydrophobicContact CE2-CG1 4.16Å; F161-I196 HydrophobicContact CZ-CG1 4.02Å; V165-I196 HydrophobicContact CG2-CD1 3.73Å; V165-I196 HydrophobicContact CG2-CG1 4.29Å; F170-I196 HydrophobicContact CD1-CG2 4.24Å; F170-I196 HydrophobicContact CD2-CD1 4.29Å; F170-I196 HydrophobicContact CE1-CD1 4.31Å; F170-I196 HydrophobicContact CE1-CG2 4.1Å; F170-I196 HydrophobicContact CE2-CD1 3.71Å; F170-I196 HydrophobicContact CZ-CD1 3.73Å; W176-I196 HydrophobicContact CB-CG2 4.18Å; W176-I196 HydrophobicContact CE3-CG2 4.38Å; W176-I196 HydrophobicContact CG-CG2 4.48Å; I196-V221 HydrophobicContact CB-CB 4.23Å; I196-V221 HydrophobicContact CG2-CB 4.23Å; I196-V221 PolarHBondContact O-N 2.83Å
197	V	98.4	Very high	98	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.6	-178.2	-61.9	0	0	0	0	110.9	W176 R177 L206	W176-V197 CarbonylContact C-O 3.18Å; W176-V197 WeakPolarHBondContact CA-O 3.44Å; R177-V197 HydrophobicContact CG-CG2 3.67Å; R177-V197 PolarHBondContact N-O 2.98Å; R177-V197 PolarHBondContact O-N 3.27Å; V197-L206 HydrophobicContact CG1-CD1 4.07Å; V197-L206 HydrophobicContact CG1-CD2 4.29Å; V197-L206 HydrophobicContact CG2-CD1 4.31Å
198	P	98.1	Very high	98.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	140.6	176.1	-24.7	34.9	0	0	0	112.6	A175 W176 W200 I201 L253 V257 A260	A175-P198 WeakPolarHBondContact O-CA 3.35Å; W176-P198 HydrophobicContact CE3-CG 4.48Å; W176-P198 HydrophobicContact CZ3-CG 4.03Å; P198-W200 VanDerWaalsContact C-N 3.26Å; P198-W200 HydrophobicContact CB-CD2 4.5Å; P198-W200 HydrophobicContact CB-CZ2 4.02Å; P198-W200 PolarHBondContact O-N 3.15Å; P198-W200 VanDerWaalsContact O-N 3.13Å; P198-I201 HydrophobicContact CB-CG1 3.96Å; P198-I201 HydrophobicContact CG-CG1 4.16Å; P198-I201 PolarHBondContact O-N 2.94Å; P198-I201 VanDerWaalsContact O-N 3.13Å; P198-L253 HydrophobicContact CG-CD1 4.3Å; P198-V257 HydrophobicContact CG-CG2 4.03Å; P198-A260 HydrophobicContact CB-CB 4.06Å; P198-A260 HydrophobicContact CG-CB 4.3Å
199	A	97.6	Very high	98.1	Very high	35 Å²	35	38.3 Å²	38.3	29%	0.289	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.5	-169	0	0	0	0	0	114.7	A175	A175-A199 PolarHBondContact O-N 3.03Å
200	W	97.4	Very high	98.1	Very high	99 Å²	99	37 Å²	37	38%	0.375	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-11.4	-178.6	55.3	80.5	0	0	0	114.9	P198 T202 S256 K259 A260	P198-W200 VanDerWaalsContact C-N 3.26Å; P198-W200 HydrophobicContact CB-CD2 4.5Å; P198-W200 HydrophobicContact CB-CZ2 4.02Å; P198-W200 PolarHBondContact O-N 3.15Å; P198-W200 VanDerWaalsContact O-N 3.13Å; W200-T202 PolarHBondContact O-N 3.26Å; W200-S256 VanDerWaalsContact NE1-CB 3.35Å; W200-S256 PolarHBondContact NE1-OG 3.07Å; W200-K259 HydrophobicContact CH2-CB 4.07Å; W200-K259 HydrophobicContact CZ2-CB 3.74Å; W200-K259 HydrophobicContact CZ2-CD 4.43Å; W200-A260 HydrophobicContact CH2-CB 3.77Å; W200-A260 HydrophobicContact CZ2-CB 4.21Å
201	I	98.3	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.			trans	-72	125.5	174.7	-65.9	-69.9	0	0	0	108	R177 P198 E205 L206 H252 L253	R177-I201 PolarHBondContact NE-O 3.42Å; R177-I201 PolarHBondContact NH2-O 3.46Å; P198-I201 HydrophobicContact CB-CG1 3.96Å; P198-I201 HydrophobicContact CG-CG1 4.16Å; P198-I201 PolarHBondContact O-N 2.94Å; P198-I201 VanDerWaalsContact O-N 3.13Å; I201-E205 WeakPolarHBondContact CD1-OE1 3.45Å; I201-E205 HydrophobicContact CG2-CB 4.01Å; I201-L206 HydrophobicContact CG2-CD2 3.55Å; I201-L206 HydrophobicContact CG2-CG 4.14Å; I201-H252 WeakPolarHBondContact CD1-ND1 3.34Å; I201-L253 HydrophobicContact CD1-CB 4.49Å; I201-L253 HydrophobicContact CG1-CD1 4.05Å; I201-L253 HydrophobicContact CG2-CD1 4.28Å
202	T	98.3	Very high	98.1	Very high	69 Å²	69	41 Å²	41	42%	0.423	21%	0.213	S	C	.	.			trans	-81	155.6	179.8	66.1	0	0	0	0	112.1	W200 K204 E205 L206	W200-T202 PolarHBondContact O-N 3.26Å; T202-K204 PolarHBondContact O-N 3.18Å; T202-E205 VanDerWaalsContact CB-OE2 3.31Å; T202-E205 WeakPolarHBondContact CB-OE2 3.26Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.19Å; T202-E205 PolarHBondContact N-OE2 3.16Å; T202-E205 WeakPolarHBondContact O-CB 3.44Å; T202-E205 PolarHBondContact O-N 2.83Å; T202-E205 VanDerWaalsContact O-N 3.16Å; T202-E205 PolarHBondContact OG1-N 3.07Å; T202-E205 PolarHBondContact OG1-OE2 2.76Å; T202-L206 PolarHBondContact O-N 3.06Å
203	D	98.3	Very high	98.1	Very high	61 Å²	61	40.5 Å²	40.5	33%	0.326	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-28.3	175.4	-72.2	-30.2	0	0	0	112.1	R177 S179 I181 L206 E207	R177-D203 IonicContact CZ-OD1 3.19Å; R177-D203 VanDerWaalsContact CZ-OD1 3.24Å; R177-D203 IonicContact NH1-OD1 2.66Å; R177-D203 PolarHBondContact NH1-OD1 2.88Å; R177-D203 IonicContact NH1-OD2 2.72Å; R177-D203 PolarHBondContact NH1-OD2 2.9Å; R177-D203 IonicContact NH2-OD1 2.62Å; R177-D203 PolarHBondContact NH2-OD1 3.44Å; S179-D203 WeakPolarHBondContact CB-OD1 3.29Å; S179-D203 PolarHBondContact OG-OD1 3.46Å; I181-D203 HydrophobicContact CB-CB 4.39Å; I181-D203 HydrophobicContact CD1-CB 3.91Å; I181-D203 WeakPolarHBondContact CD1-O 3.41Å; I181-D203 HydrophobicContact CG1-CB 4.36Å; D203-L206 WeakPolarHBondContact O-CB 3.32Å; D203-L206 PolarHBondContact O-N 2.74Å; D203-L206 VanDerWaalsContact O-N 3.12Å; D203-E207 PolarHBondContact O-N 2.71Å
204	K	98	Very high	98.1	Very high	161 Å²	161	37.6 Å²	37.6	70%	0.7	20%	0.197	S	C	*	.	H	α-helix	trans	-65.2	-38.3	173.4	-172.7	-172.7	173.1	-166.2	0	113	T202 L206 E207 S208	T202-K204 PolarHBondContact O-N 3.18Å; K204-L206 VanDerWaalsContact C-N 3.29Å; K204-E207 PolarHBondContact O-N 3.07Å; K204-S208 PolarHBondContact O-N 2.75Å
205	E	98.6	Very high	98.1	Very high	30 Å²	30	42.2 Å²	42.2	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-40.7	170.8	-75.6	157.8	95.6	0	0	110.2	I201 T202 E207 S208 V209 D249 H252	I201-E205 WeakPolarHBondContact CD1-OE1 3.45Å; I201-E205 HydrophobicContact CG2-CB 4.01Å; T202-E205 VanDerWaalsContact CB-OE2 3.31Å; T202-E205 WeakPolarHBondContact CB-OE2 3.26Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.19Å; T202-E205 PolarHBondContact N-OE2 3.16Å; T202-E205 WeakPolarHBondContact O-CB 3.44Å; T202-E205 PolarHBondContact O-N 2.83Å; T202-E205 VanDerWaalsContact O-N 3.16Å; T202-E205 PolarHBondContact OG1-N 3.07Å; T202-E205 PolarHBondContact OG1-OE2 2.76Å; E205-E207 VanDerWaalsContact C-N 3.33Å; E205-E207 PolarHBondContact O-N 3.47Å; E205-S208 WeakPolarHBondContact O-CB 3.3Å; E205-S208 PolarHBondContact O-N 3.18Å; E205-S208 VanDerWaalsContact O-N 3.11Å; E205-V209 WeakPolarHBondContact O-CG2 3.49Å; E205-V209 PolarHBondContact O-N 2.87Å; E205-D249 HydrophobicContact CB-CB 4.17Å; E205-D249 HydrophobicContact CG-CB 4.25Å; E205-H252 IonicContact OE1-CE1 3.67Å; E205-H252 PolarHBondContact OE1-CE1 3.37Å; E205-H252 IonicContact OE1-ND1 2.72Å; E205-H252 PolarHBondContact OE1-ND1 3.43Å
206	L	98.6	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-32.5	176.9	-53.7	-176.1	0	0	0	113.2	I181 V197 I201 T202 D203 K204 A210 I218 L253	I181-L206 HydrophobicContact CD1-CB 3.79Å; I181-L206 HydrophobicContact CG2-CD1 4.1Å; V197-L206 HydrophobicContact CG1-CD1 4.07Å; V197-L206 HydrophobicContact CG1-CD2 4.29Å; V197-L206 HydrophobicContact CG2-CD1 4.31Å; I201-L206 HydrophobicContact CG2-CD2 3.55Å; I201-L206 HydrophobicContact CG2-CG 4.14Å; T202-L206 PolarHBondContact O-N 3.06Å; D203-L206 WeakPolarHBondContact O-CB 3.32Å; D203-L206 PolarHBondContact O-N 2.74Å; D203-L206 VanDerWaalsContact O-N 3.12Å; K204-L206 VanDerWaalsContact C-N 3.29Å; L206-A210 WeakPolarHBondContact O-CB 3.34Å; L206-A210 PolarHBondContact O-N 3.11Å; L206-I218 HydrophobicContact CB-CD1 4.16Å; L206-I218 HydrophobicContact CD1-CD1 4.26Å; L206-I218 HydrophobicContact CD2-CD1 4.14Å; L206-I218 HydrophobicContact CG-CD1 4.4Å; L206-L253 HydrophobicContact CD2-CD1 4.38Å; L206-L253 HydrophobicContact CD2-CD2 4.07Å
207	E	98.4	Very high	98.1	Very high	119 Å²	119	46.9 Å²	46.9	56%	0.556	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-41.8	170.7	-64.3	-178.7	151.3	0	0	111.9	I181 L187 D203 K204 E205 A210 S211	I181-E207 HydrophobicContact CD1-CG 3.8Å; L187-E207 HydrophobicContact CD1-CG 4.36Å; D203-E207 PolarHBondContact O-N 2.71Å; K204-E207 PolarHBondContact O-N 3.07Å; E205-E207 VanDerWaalsContact C-N 3.33Å; E205-E207 PolarHBondContact O-N 3.47Å; E207-A210 PolarHBondContact O-N 3.11Å; E207-S211 PolarHBondContact O-N 3.31Å
208	S	98.4	Very high	98.1	Very high	32 Å²	32	46.8 Å²	46.8	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-49.7	175.3	-176.8	0	0	0	0	111.2	K204 E205 A210 S211 N247 D249	K204-S208 PolarHBondContact O-N 2.75Å; E205-S208 WeakPolarHBondContact O-CB 3.3Å; E205-S208 PolarHBondContact O-N 3.18Å; E205-S208 VanDerWaalsContact O-N 3.11Å; S208-A210 VanDerWaalsContact C-N 3.3Å; S208-A210 PolarHBondContact O-N 3.45Å; S208-S211 WeakPolarHBondContact O-CB 3.4Å; S208-S211 PolarHBondContact O-N 3.26Å; S208-S211 PolarHBondContact O-OG 2.88Å; S208-N247 PolarHBondContact O-ND2 2.95Å; S208-N247 PolarHBondContact OG-ND2 2.84Å; S208-D249 WeakPolarHBondContact CB-OD2 3.3Å; S208-D249 PolarHBondContact OG-OD2 2.98Å
209	V	98.6	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-39.9	176.7	177.7	0	0	0	0	111.8	E205 S211 F212 R213 I218 D249 D250 L253	E205-V209 WeakPolarHBondContact O-CG2 3.49Å; E205-V209 PolarHBondContact O-N 2.87Å; V209-S211 PolarHBondContact O-N 3.14Å; V209-F212 CarbonylContact O-C 3.59Å; V209-F212 PolarHBondContact O-N 2.58Å; V209-R213 HydrophobicContact CG1-CG 3.76Å; V209-R213 PolarHBondContact O-N 2.77Å; V209-I218 HydrophobicContact CB-CG2 4.23Å; V209-I218 HydrophobicContact CG1-CB 4.06Å; V209-I218 HydrophobicContact CG1-CG2 3.81Å; V209-D249 VanDerWaalsContact CG2-C 3.43Å; V209-D249 HydrophobicContact CG2-CB 3.95Å; V209-D249 WeakPolarHBondContact CG2-O 3.44Å; V209-D250 HydrophobicContact CG1-CB 4.15Å; V209-D250 WeakPolarHBondContact CG1-OD1 3.36Å; V209-D250 HydrophobicContact CG2-CB 4.01Å; V209-L253 HydrophobicContact CB-CD2 4.47Å; V209-L253 HydrophobicContact CG1-CD2 4.03Å; V209-L253 HydrophobicContact CG2-CB 4.4Å; V209-L253 HydrophobicContact CG2-CD2 4.18Å
210	A	98.4	Very high	98.2	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-24	175.5	0	0	0	0	0	113.4	L187 L206 E207 S208 F212 K216 I218	L187-A210 HydrophobicContact CD1-CB 3.53Å; L187-A210 HydrophobicContact CD2-CB 4.13Å; L187-A210 HydrophobicContact CG-CB 3.84Å; L206-A210 WeakPolarHBondContact O-CB 3.34Å; L206-A210 PolarHBondContact O-N 3.11Å; E207-A210 PolarHBondContact O-N 3.11Å; S208-A210 VanDerWaalsContact C-N 3.3Å; S208-A210 PolarHBondContact O-N 3.45Å; A210-F212 VanDerWaalsContact C-N 3.32Å; A210-K216 HydrophobicContact CB-CB 4.07Å; A210-K216 WeakPolarHBondContact O-CA 3.23Å; A210-K216 WeakPolarHBondContact O-CG 3.41Å; A210-I218 HydrophobicContact CB-CG2 3.82Å
211	S	96.9	Very high	98.2	Very high	86 Å²	86	40.8 Å²	40.8	60%	0.601	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.2	172.5	76.8	0	0	0	0	114.1	E207 S208 V209	E207-S211 PolarHBondContact O-N 3.31Å; S208-S211 WeakPolarHBondContact O-CB 3.4Å; S208-S211 PolarHBondContact O-N 3.26Å; S208-S211 PolarHBondContact O-OG 2.88Å; V209-S211 PolarHBondContact O-N 3.14Å
212	F	97.9	Very high	98.2	Very high	13 Å²	13	41 Å²	41	6%	0.057	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-15.3	-179.1	-179.1	-112.4	0	0	0	113.9	V209 A210 P238 E239 V240 W245 N247 D250	V209-F212 CarbonylContact O-C 3.59Å; V209-F212 PolarHBondContact O-N 2.58Å; A210-F212 VanDerWaalsContact C-N 3.32Å; F212-P238 HydrophobicContact CD1-CB 4.18Å; F212-P238 HydrophobicContact CE1-CB 3.48Å; F212-P238 VanDerWaalsContact CE1-CB 3.48Å; F212-P238 HydrophobicContact CZ-CB 3.75Å; F212-P238 CarbonylContact O-C 3.51Å; F212-E239 PolarHBondContact O-N 3.17Å; F212-V240 HydrophobicContact CZ-CG2 4.02Å; F212-W245 HydrophobicContact CE2-CB 4.34Å; F212-N247 HydrophobicContact CB-CB 3.63Å; F212-N247 HydrophobicContact CD1-CB 3.48Å; F212-N247 VanDerWaalsContact CD1-CB 3.48Å; F212-N247 HydrophobicContact CD2-CB 4.01Å; F212-N247 HydrophobicContact CE1-CB 4.06Å; F212-N247 HydrophobicContact CG-CB 3.43Å; F212-N247 VanDerWaalsContact CG-CB 3.43Å; F212-D250 HydrophobicContact CD1-CB 3.88Å; F212-D250 HydrophobicContact CE1-CB 4.28Å
213	R	98.1	Very high	98.2	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-98.6	127.9	176.8	-73.8	-79.1	177.2	-178.9	-8.4	110.3	V209 K216 C235 G236 D250 E334	V209-R213 HydrophobicContact CG1-CG 3.76Å; V209-R213 PolarHBondContact O-N 2.77Å; R213-K216 WeakPolarHBondContact O-CA 3.42Å; R213-K216 PolarHBondContact O-N 3.37Å; R213-C235 PolarHBondContact NH1-SG 2.77Å; R213-G236 VanDerWaalsContact CD-O 3.29Å; R213-G236 WeakPolarHBondContact CD-O 3.42Å; R213-G236 PolarHBondContact NH1-O 2.87Å; R213-D250 IonicContact CZ-OD1 3.63Å; R213-D250 IonicContact CZ-OD2 3.92Å; R213-D250 IonicContact NE-OD1 3.56Å; R213-D250 PolarHBondContact NE-OD1 3.39Å; R213-D250 IonicContact NE-OD2 2.74Å; R213-D250 IonicContact NH2-OD1 3.01Å; R213-D250 PolarHBondContact NH2-OD1 3.21Å; R213-D250 IonicContact NH2-OD2 3.54Å; R213-D250 PolarHBondContact NH2-OD2 3.24Å; R213-E334 IonicContact CZ-OE1 2.71Å; R213-E334 IonicContact NH1-OE1 3.46Å; R213-E334 PolarHBondContact NH1-OE1 3.29Å; R213-E334 IonicContact NH2-OE1 3.24Å; R213-E334 PolarHBondContact NH2-OE1 2.81Å
214	S	97.6	Very high	98.2	Very high	11 Å²	11	35.2 Å²	35.2	8%	0.077	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-59.6	140.3	-172.5	-153.3	0	0	0	0	112.5	K216 R217 Q237 E239	S214-K216 PolarHBondContact O-N 3.05Å; S214-K216 VanDerWaalsContact O-N 3.09Å; S214-R217 WeakPolarHBondContact O-CB 3.5Å; S214-R217 PolarHBondContact O-N 3.02Å; S214-R217 VanDerWaalsContact O-N 3.1Å; S214-Q237 PolarHBondContact N-O 2.93Å; S214-E239 WeakPolarHBondContact CA-OE1 3.36Å; S214-E239 WeakPolarHBondContact CB-OE1 3.34Å; S214-E239 PolarHBondContact OG-OE1 3.08Å
215	W	97.3	Very high	98.1	Very high	151 Å²	151	28.3 Å²	28.3	57%	0.572	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	53.3	20.1	-167.9	-61.1	98.3	0	0	0	115.3	C188 R217 D415 W417	C188-W215 PolarHBondContact SG-O 3.34Å; W215-R217 HydrophobicContact CB-CG 4.03Å; W215-R217 PolarHBondContact O-N 3.41Å; W215-D415 PolarHBondContact NE1-OD1 2.84Å; W215-W417 HydrophobicContact CB-CZ3 4.19Å; W215-W417 AromaticContact CD1-CH2 3.67Å; W215-W417 AromaticContact CD1-CZ3 3.82Å; W215-W417 AromaticContact CD2-CH2 3.7Å; W215-W417 HydrophobicContact CD2-CH2 3.7Å; W215-W417 AromaticContact CD2-CZ3 3.9Å; W215-W417 HydrophobicContact CD2-CZ3 3.9Å; W215-W417 AromaticContact CE2-CH2 3.48Å; W215-W417 VanDerWaalsContact CE2-CH2 3.48Å; W215-W417 HydrophobicContact CE3-CH2 4.4Å; W215-W417 AromaticContact CG-CH2 3.84Å; W215-W417 HydrophobicContact CG-CH2 3.84Å; W215-W417 AromaticContact CG-CZ3 3.7Å; W215-W417 HydrophobicContact CG-CZ3 3.7Å; W215-W417 HydrophobicContact CZ2-CH2 4.02Å; W215-W417 AromaticContact NE1-CH2 3.41Å
216	K	98.3	Very high	97.8	Very high	109 Å²	109	32 Å²	32	47%	0.474	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	63.8	20.2	-174.6	-49.1	-168.8	171.6	-175.6	0	113.9	L187 C188 A210 R213 S214 I218	L187-K216 WeakPolarHBondContact O-CB 3.48Å; L187-K216 WeakPolarHBondContact O-CD 3.2Å; C188-K216 HydrophobicContact CB-CB 4.05Å; C188-K216 WeakPolarHBondContact CB-O 3.41Å; A210-K216 HydrophobicContact CB-CB 4.07Å; A210-K216 WeakPolarHBondContact O-CA 3.23Å; A210-K216 WeakPolarHBondContact O-CG 3.41Å; R213-K216 WeakPolarHBondContact O-CA 3.42Å; R213-K216 PolarHBondContact O-N 3.37Å; S214-K216 PolarHBondContact O-N 3.05Å; S214-K216 VanDerWaalsContact O-N 3.09Å; K216-I218 PolarHBondContact O-N 3.18Å
217	R	98.6	Very high	97.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.			trans	-85.8	75.1	-173.7	-67.5	170.9	67.3	82.2	0.1	110.5	C188 S190 Y191 S214 W215 C235 G236 D415 G416 F452	C188-R217 VanDerWaalsContact SG-CG 3.55Å; S190-R217 VanDerWaalsContact CB-NH1 3.29Å; S190-R217 PolarHBondContact O-NH1 3.02Å; S190-R217 WeakPolarHBondContact OG-CD 3.44Å; S190-R217 PolarHBondContact OG-NH1 3.48Å; Y191-R217 HydrophobicContact CD1-CB 4.36Å; Y191-R217 HydrophobicContact CD1-CG 3.96Å; Y191-R217 HydrophobicContact CE1-CB 3.62Å; Y191-R217 HydrophobicContact CE1-CG 3.67Å; Y191-R217 PolarHBondContact OH-O 2.98Å; S214-R217 WeakPolarHBondContact O-CB 3.5Å; S214-R217 PolarHBondContact O-N 3.02Å; S214-R217 VanDerWaalsContact O-N 3.1Å; W215-R217 HydrophobicContact CB-CG 4.03Å; W215-R217 PolarHBondContact O-N 3.41Å; R217-C235 CarbonylContact O-C 3.56Å; R217-C235 WeakPolarHBondContact O-CA 3.37Å; R217-C235 VanDerWaalsContact O-CB 3.26Å; R217-C235 WeakPolarHBondContact O-CB 3.49Å; R217-G236 PolarHBondContact O-N 2.85Å; R217-D415 WeakPolarHBondContact CD-O 3.05Å; R217-D415 PolarHBondContact NE-O 3.36Å; R217-G416 PolarHBondContact NH2-O 3.21Å; R217-F452 PolarHBondContact NH1-O 3.4Å; R217-F452 PolarHBondContact NH2-O 3Å
218	I	98.6	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.			trans	-60.9	157.4	-176.7	67.3	176.8	0	0	0	113.5	L187 Y191 L195 L206 V209 A210 K216 A220	L187-I218 HydrophobicContact CD2-CD1 3.94Å; Y191-I218 HydrophobicContact CE2-CG1 4.05Å; Y191-I218 VanDerWaalsContact CE2-O 3.27Å; Y191-I218 WeakPolarHBondContact CE2-O 3.23Å; Y191-I218 PolarHBondContact OH-O 2.96Å; L195-I218 HydrophobicContact CD1-CD1 4.15Å; L206-I218 HydrophobicContact CB-CD1 4.16Å; L206-I218 HydrophobicContact CD1-CD1 4.26Å; L206-I218 HydrophobicContact CD2-CD1 4.14Å; L206-I218 HydrophobicContact CG-CD1 4.4Å; V209-I218 HydrophobicContact CB-CG2 4.23Å; V209-I218 HydrophobicContact CG1-CB 4.06Å; V209-I218 HydrophobicContact CG1-CG2 3.81Å; A210-I218 HydrophobicContact CB-CG2 3.82Å; K216-I218 PolarHBondContact O-N 3.18Å; I218-A220 PolarHBondContact O-N 3.03Å
219	P	98.6	Very high	96.8	Very high	2 Å²	2	30 Å²	30	1%	0.013	15%	0.154	C	C	.	.			trans	-53.8	108.9	165.6	-26.6	34.8	0	0	0	112.3	R234 C235 L253 V254 L410	P219-R234 WeakPolarHBondContact CA-O 3.16Å; P219-C235 HydrophobicContact CB-CB 4.49Å; P219-C235 HydrophobicContact CG-CB 4.07Å; P219-L253 HydrophobicContact CB-CD2 3.94Å; P219-L253 HydrophobicContact CB-CG 4.28Å; P219-L253 HydrophobicContact CG-CD2 4.03Å; P219-V254 HydrophobicContact CG-CG2 4.09Å; P219-L410 HydrophobicContact CB-CD1 3.96Å; P219-L410 HydrophobicContact CG-CD1 4.43Å; P219-L410 HydrophobicContact CG-CD2 4.41Å
220	A	98.4	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.3	175.4	0	0	0	0	0	110	Y191 L195 I218 A233 R234 F452	Y191-A220 HydrophobicContact CE2-CB 4.04Å; L195-A220 HydrophobicContact CD2-CB 4.08Å; I218-A220 PolarHBondContact O-N 3.03Å; A220-A233 CarbonylContact O-C 3.56Å; A220-A233 WeakPolarHBondContact O-CA 3.46Å; A220-A233 WeakPolarHBondContact O-CB 3.44Å; A220-R234 PolarHBondContact N-O 3.26Å; A220-R234 PolarHBondContact O-N 2.82Å; A220-F452 HydrophobicContact CB-CE1 4.37Å; A220-F452 HydrophobicContact CB-CZ 4.4Å
221	V	98.4	Very high	96.6	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.7	179.3	-178.6	0	0	0	0	110.3	F170 W176 I196 V231 A233 V257	F170-V221 HydrophobicContact CE1-CG1 3.72Å; F170-V221 HydrophobicContact CZ-CG1 4.05Å; W176-V221 HydrophobicContact CE3-CG2 4.28Å; W176-V221 HydrophobicContact CH2-CG2 3.99Å; W176-V221 HydrophobicContact CZ3-CB 4.5Å; W176-V221 HydrophobicContact CZ3-CG2 3.59Å; I196-V221 HydrophobicContact CB-CB 4.23Å; I196-V221 HydrophobicContact CG2-CB 4.23Å; I196-V221 PolarHBondContact O-N 2.83Å; V221-V231 HydrophobicContact CG1-CB 3.95Å; V221-V231 HydrophobicContact CG1-CG1 4.15Å; V221-A233 HydrophobicContact CG2-CB 4.17Å; V221-V257 HydrophobicContact CG2-CG1 4.19Å; V221-V257 HydrophobicContact CG2-CG2 4.39Å
222	V	98.4	Very high	96.7	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.03	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	-5.6	-173.3	-63	0	0	0	0	114.1	I232 R234 V424 K428 F452	V222-I232 PolarHBondContact N-O 2.86Å; V222-R234 HydrophobicContact CG1-CG 3.88Å; V222-R234 HydrophobicContact CG2-CG 4.09Å; V222-V424 HydrophobicContact CG2-CG1 3.82Å; V222-K428 PolarHBondContact O-NZ 3.46Å; V222-F452 HydrophobicContact CG1-CD2 4.36Å; V222-F452 HydrophobicContact CG1-CE1 4.25Å; V222-F452 HydrophobicContact CG1-CE2 3.44Å; V222-F452 VanDerWaalsContact CG1-CE2 3.44Å; V222-F452 HydrophobicContact CG1-CZ 3.37Å
223	Y	98.6	Very high	96.7	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.9	171	-175.9	-104.7	0	0	0	111.1	M168 H225 V231 I232 V402 K428 L431 D432 Y435	M168-Y223 HydrophobicContact CE-CD2 3.84Å; M168-Y223 HydrophobicContact SD-CD2 4.06Å; Y223-H225 HydrophobicContact CE1-CB 3.84Å; Y223-V231 CarbonylContact O-C 3.26Å; Y223-V231 VanDerWaalsContact O-CA 3.22Å; Y223-V231 WeakPolarHBondContact O-CA 3.36Å; Y223-V231 WeakPolarHBondContact O-CB 3.31Å; Y223-I232 HydrophobicContact CD1-CD1 3.83Å; Y223-I232 HydrophobicContact CD1-CG1 4.07Å; Y223-I232 HydrophobicContact CG-CD1 4.2Å; Y223-I232 PolarHBondContact N-O 3.1Å; Y223-I232 PolarHBondContact O-N 3.18Å; Y223-V402 HydrophobicContact CE1-CG1 4.23Å; Y223-K428 HydrophobicContact CD2-CD 4.42Å; Y223-K428 HydrophobicContact CD2-CG 3.99Å; Y223-K428 HydrophobicContact CG-CG 4.1Å; Y223-L431 HydrophobicContact CD1-CD1 4.32Å; Y223-L431 HydrophobicContact CE1-CB 4.21Å; Y223-L431 HydrophobicContact CE1-CD1 3.89Å; Y223-D432 HydrophobicContact CE2-CB 3.99Å; Y223-Y435 HydrophobicContact CD2-CE2 4.36Å; Y223-Y435 HydrophobicContact CE2-CE2 4.32Å
224	R	97.5	Very high	96.8	Very high	5 Å²	5	25 Å²	25	2%	0.019	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.8	167.2	172.8	-168.6	-178	-67.9	-4.8	108.5	M168 G169 F170 Q226 A230 V231 D264	M168-R224 HydrophobicContact CB-CB 4.22Å; M168-R224 PolarHBondContact O-NH1 2.69Å; M168-R224 PolarHBondContact SD-N 3.33Å; M168-R224 VanDerWaalsContact SD-N 3.38Å; G169-R224 PolarHBondContact O-NE 2.96Å; G169-R224 PolarHBondContact O-NH1 2.87Å; F170-R224 HydrophobicContact CD1-CB 4Å; F170-R224 HydrophobicContact CD1-CG 4.44Å; F170-R224 HydrophobicContact CD2-CB 4.49Å; F170-R224 HydrophobicContact CE1-CB 3.54Å; F170-R224 HydrophobicContact CE1-CG 4.4Å; F170-R224 HydrophobicContact CE2-CB 4.09Å; F170-R224 HydrophobicContact CG-CB 4.46Å; F170-R224 HydrophobicContact CZ-CB 3.59Å; R224-Q226 PolarHBondContact O-N 3Å; R224-A230 WeakPolarHBondContact CA-O 3.47Å; R224-V231 HydrophobicContact CB-CG1 4.03Å; R224-V231 HydrophobicContact CG-CG1 4.24Å; R224-D264 IonicContact CZ-OD1 2.74Å; R224-D264 IonicContact CZ-OD2 3.65Å; R224-D264 VanDerWaalsContact NE-CG 3.28Å; R224-D264 IonicContact NE-OD1 2.75Å; R224-D264 PolarHBondContact NE-OD1 2.71Å; R224-D264 IonicContact NE-OD2 3.2Å; R224-D264 PolarHBondContact NE-OD2 3.05Å; R224-D264 IonicContact NH2-OD1 2.7Å; R224-D264 PolarHBondContact NH2-OD1 3.29Å; R224-D264 IonicContact NH2-OD2 2.76Å
225	H	95.6	Very high	96.8	Very high	15 Å²	15	24.6 Å²	24.6	7%	0.069	12%	0.118	C	C	.	.			trans	-73.5	121	177.5	-170.7	-141.3	0	0	0	109.8	Y223 S227 N228 G229 A230 V402 D403	Y223-H225 HydrophobicContact CE1-CB 3.84Å; H225-S227 VanDerWaalsContact C-N 3.29Å; H225-S227 PolarHBondContact CE1-OG 2.89Å; H225-S227 PolarHBondContact ND1-OG 2.87Å; H225-S227 PolarHBondContact O-N 2.84Å; H225-N228 WeakPolarHBondContact CB-OD1 3.47Å; H225-N228 PolarHBondContact ND1-ND2 3.49Å; H225-N228 VanDerWaalsContact ND1-ND2 3.14Å; H225-N228 PolarHBondContact ND1-OD1 2.87Å; H225-G229 WeakPolarHBondContact O-CA 3.49Å; H225-G229 PolarHBondContact O-N 3.5Å; H225-A230 WeakPolarHBondContact CB-O 3.46Å; H225-A230 PolarHBondContact N-O 3.01Å; H225-V402 HydrophobicContact CB-CG1 3.74Å; H225-D403 IonicContact CE1-OD1 3.24Å; H225-D403 PolarHBondContact CE1-OD1 2.86Å; H225-D403 VanDerWaalsContact CE1-OD1 3.28Å; H225-D403 IonicContact NE2-OD1 3.02Å
226	Q	91.8	Very high	96.9	Very high	107 Å²	107	17.4 Å²	17.4	50%	0.5	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.8	-167.2	-71.4	179	-27.1	0	0	114.1	R167 R224	R167-Q226 PolarHBondContact O-NE2 3.19Å; R224-Q226 PolarHBondContact O-N 3Å
227	S	89.8	Confident	96.9	Very high	90 Å²	90	12.7 Å²	12.7	63%	0.629	7%	0.071	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-38.8	-170.3	58.9	0	0	0	0	114.1	H225	H225-S227 VanDerWaalsContact C-N 3.29Å; H225-S227 PolarHBondContact CE1-OG 2.89Å; H225-S227 PolarHBondContact ND1-OG 2.87Å; H225-S227 PolarHBondContact O-N 2.84Å
228	N	91.7	Very high	96.8	Very high	20 Å²	20	12.7 Å²	12.7	11%	0.107	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-12.2	-174.6	70.6	13.2	0	0	0	114.1	H225 A230 S265 V402 D403 Q406	H225-N228 WeakPolarHBondContact CB-OD1 3.47Å; H225-N228 PolarHBondContact ND1-ND2 3.49Å; H225-N228 VanDerWaalsContact ND1-ND2 3.14Å; H225-N228 PolarHBondContact ND1-OD1 2.87Å; N228-A230 VanDerWaalsContact C-N 3.34Å; N228-A230 VanDerWaalsContact OD1-CB 3.23Å; N228-A230 WeakPolarHBondContact OD1-CB 3.29Å; N228-A230 PolarHBondContact OD1-N 3.44Å; N228-S265 VanDerWaalsContact O-CB 3.29Å; N228-S265 WeakPolarHBondContact O-CB 3.45Å; N228-S265 PolarHBondContact O-OG 3.28Å; N228-V402 PolarHBondContact ND2-O 3.17Å; N228-D403 PolarHBondContact ND2-O 2.93Å; N228-Q406 HydrophobicContact CB-CB 4.45Å; N228-Q406 HydrophobicContact CB-CG 4.28Å
229	G	92.8	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.			trans	82.1	1.3	179.6	0	0	0	0	0	115.7	H225	H225-G229 WeakPolarHBondContact O-CA 3.49Å; H225-G229 PolarHBondContact O-N 3.5Å
230	A	96	Very high	96.4	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.092	C	C	.	.			trans	-63.9	142.1	177.4	0	0	0	0	0	111.8	R224 H225 N228 V402	R224-A230 WeakPolarHBondContact CA-O 3.47Å; H225-A230 WeakPolarHBondContact CB-O 3.46Å; H225-A230 PolarHBondContact N-O 3.01Å; N228-A230 VanDerWaalsContact C-N 3.34Å; N228-A230 VanDerWaalsContact OD1-CB 3.23Å; N228-A230 WeakPolarHBondContact OD1-CB 3.29Å; N228-A230 PolarHBondContact OD1-N 3.44Å; A230-V402 HydrophobicContact CB-CG1 3.97Å; A230-V402 WeakPolarHBondContact CB-O 3.33Å
231	V	98	Very high	96	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.6	-171.2	-63.8	0	0	0	0	113.9	W176 V221 Y223 R224 V257 C261 P408 V409	W176-V231 HydrophobicContact CH2-CG1 4.19Å; W176-V231 HydrophobicContact CH2-CG2 4.09Å; W176-V231 HydrophobicContact CZ2-CG1 3.69Å; W176-V231 HydrophobicContact CZ2-CG2 4.32Å; V221-V231 HydrophobicContact CG1-CB 3.95Å; V221-V231 HydrophobicContact CG1-CG1 4.15Å; Y223-V231 CarbonylContact O-C 3.26Å; Y223-V231 VanDerWaalsContact O-CA 3.22Å; Y223-V231 WeakPolarHBondContact O-CA 3.36Å; Y223-V231 WeakPolarHBondContact O-CB 3.31Å; R224-V231 HydrophobicContact CB-CG1 4.03Å; R224-V231 HydrophobicContact CG-CG1 4.24Å; V231-V257 HydrophobicContact CG2-CG1 3.96Å; V231-C261 HydrophobicContact CG2-CB 4Å; V231-P408 HydrophobicContact CG2-CB 3.87Å; V231-P408 WeakPolarHBondContact O-CA 3.3Å; V231-V409 PolarHBondContact O-N 3.31Å
232	I	98.8	Very high	95.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.9	166.1	-50.3	167.3	0	0	0	108.6	V222 Y223 V398 V402 V409 V411 V424 A427 L431	V222-I232 PolarHBondContact N-O 2.86Å; Y223-I232 HydrophobicContact CD1-CD1 3.83Å; Y223-I232 HydrophobicContact CD1-CG1 4.07Å; Y223-I232 HydrophobicContact CG-CD1 4.2Å; Y223-I232 PolarHBondContact N-O 3.1Å; Y223-I232 PolarHBondContact O-N 3.18Å; I232-V398 HydrophobicContact CD1-CG1 3.62Å; I232-V398 HydrophobicContact CG1-CG1 3.84Å; I232-V398 HydrophobicContact CG2-CG1 4.41Å; I232-V402 HydrophobicContact CD1-CG2 4.27Å; I232-V402 HydrophobicContact CG1-CG2 3.74Å; I232-V409 CarbonylContact C-O 3.58Å; I232-V409 WeakPolarHBondContact CA-O 3.2Å; I232-V411 HydrophobicContact CG2-CG2 4.14Å; I232-V424 HydrophobicContact CG2-CG1 4.41Å; I232-V424 HydrophobicContact CG2-CG2 4.2Å; I232-A427 HydrophobicContact CD1-CB 4.15Å; I232-L431 HydrophobicContact CD1-CD1 3.91Å
233	A	98.8	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	159.8	170.9	0	0	0	0	0	111	A220 V221 V409 L410 V411	A220-A233 CarbonylContact O-C 3.56Å; A220-A233 WeakPolarHBondContact O-CA 3.46Å; A220-A233 WeakPolarHBondContact O-CB 3.44Å; V221-A233 HydrophobicContact CG2-CB 4.17Å; A233-V409 PolarHBondContact N-O 3.45Å; A233-L410 HydrophobicContact CB-CD1 3.62Å; A233-L410 WeakPolarHBondContact O-CA 3.34Å; A233-V411 PolarHBondContact O-N 3.09Å
234	R	98.8	Very high	94.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.4	176.1	60.6	-176.7	-65.8	-174.1	-7.9	112.9	Y191 P219 A220 V222 V411 G416 T420 V424 E448 F452	Y191-R234 PolarHBondContact OH-O 3.46Å; P219-R234 WeakPolarHBondContact CA-O 3.16Å; A220-R234 PolarHBondContact N-O 3.26Å; A220-R234 PolarHBondContact O-N 2.82Å; V222-R234 HydrophobicContact CG1-CG 3.88Å; V222-R234 HydrophobicContact CG2-CG 4.09Å; R234-V411 VanDerWaalsContact CA-O 3.31Å; R234-V411 WeakPolarHBondContact CA-O 3.42Å; R234-G416 PolarHBondContact NH2-O 2.79Å; R234-G416 VanDerWaalsContact NH2-O 3.07Å; R234-T420 HydrophobicContact CB-CG2 3.77Å; R234-V424 HydrophobicContact CB-CG2 4.43Å; R234-E448 IonicContact CZ-OE2 2.73Å; R234-E448 PolarHBondContact NH1-O 2.96Å; R234-E448 IonicContact NH1-OE2 3.76Å; R234-E448 PolarHBondContact NH1-OE2 2.74Å; R234-F452 HydrophobicContact CG-CD1 4.33Å; R234-F452 HydrophobicContact CG-CE1 4.14Å
235	C	98.8	Very high	94	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	19%	0.187	C	C	.	.			trans	-155	175.3	177.7	57.3	0	0	0	0	113.2	Y191 R213 R217 P219 L410 V411 H412 G416	Y191-C235 WeakPolarHBondContact OH-CA 3.4Å; R213-C235 PolarHBondContact NH1-SG 2.77Å; R217-C235 CarbonylContact O-C 3.56Å; R217-C235 WeakPolarHBondContact O-CA 3.37Å; R217-C235 VanDerWaalsContact O-CB 3.26Å; R217-C235 WeakPolarHBondContact O-CB 3.49Å; P219-C235 HydrophobicContact CB-CB 4.49Å; P219-C235 HydrophobicContact CG-CB 4.07Å; C235-L410 HydrophobicContact CB-CD1 4.36Å; C235-V411 PolarHBondContact N-O 3.16Å; C235-H412 VanDerWaalsContact O-CB 3.29Å; C235-H412 WeakPolarHBondContact O-CB 3.32Å; C235-G416 WeakPolarHBondContact O-CA 3.35Å
236	G	98.4	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-83.9	170	155	0	0	0	0	0	112	R213 R217	R213-G236 VanDerWaalsContact CD-O 3.29Å; R213-G236 WeakPolarHBondContact CD-O 3.42Å; R213-G236 PolarHBondContact NH1-O 2.87Å; R217-G236 PolarHBondContact O-N 2.85Å
237	Q	98.1	Very high	94.2	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.047	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-58.9	152.2	176.3	66.3	-175.2	-33.3	0	0	112.8	S214 N326 G332 C413 S414	S214-Q237 PolarHBondContact N-O 2.93Å; Q237-N326 PolarHBondContact NE2-OD1 2.95Å; Q237-N326 PolarHBondContact OE1-OD1 2.87Å; Q237-G332 PolarHBondContact OE1-O 3.11Å; Q237-C413 WeakPolarHBondContact CB-O 3.48Å; Q237-S414 WeakPolarHBondContact CG-O 3.4Å; Q237-S414 PolarHBondContact N-O 3.38Å
238	P	97.6	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-74.1	140.7	165.7	32.9	-34.2	0	0	0	110.9	F212 V240 G331 G332 E334	F212-P238 HydrophobicContact CD1-CB 4.18Å; F212-P238 HydrophobicContact CE1-CB 3.48Å; F212-P238 VanDerWaalsContact CE1-CB 3.48Å; F212-P238 HydrophobicContact CZ-CB 3.75Å; F212-P238 CarbonylContact O-C 3.51Å; P238-V240 HydrophobicContact CB-CG2 3.94Å; P238-V240 HydrophobicContact CG-CG2 3.9Å; P238-V240 PolarHBondContact O-N 3.33Å; P238-G331 CarbonylContact O-C 3.59Å; P238-G332 PolarHBondContact O-N 3.49Å; P238-G332 VanDerWaalsContact O-N 3.11Å; P238-E334 WeakPolarHBondContact CD-OE2 3.31Å; P238-E334 HydrophobicContact CG-CG 4.21Å; P238-E334 WeakPolarHBondContact CG-OE2 3.45Å
239	E	95.9	Very high	94.9	Very high	76 Å²	76	41.3 Å²	41.3	36%	0.355	19%	0.194	S	C	.	.			trans	-87.7	57.3	179.7	-60.2	-164.1	160.2	0	0	111.1	F212 S214 S241 G330	F212-E239 PolarHBondContact O-N 3.17Å; S214-E239 WeakPolarHBondContact CA-OE1 3.36Å; S214-E239 WeakPolarHBondContact CB-OE1 3.34Å; S214-E239 PolarHBondContact OG-OE1 3.08Å; E239-S241 PolarHBondContact O-N 3.39Å; E239-G330 CarbonylContact C-O 3.55Å; E239-G330 WeakPolarHBondContact CA-O 3.36Å
240	V	92.4	Very high	95.2	Very high	17 Å²	17	41.3 Å²	41.3	10%	0.103	19%	0.194	C	C	.	.			trans	-60.9	-33	178.9	179.2	0	0	0	0	111.4	F212 P238 G244 W245 G331	F212-V240 HydrophobicContact CZ-CG2 4.02Å; P238-V240 HydrophobicContact CB-CG2 3.94Å; P238-V240 HydrophobicContact CG-CG2 3.9Å; P238-V240 PolarHBondContact O-N 3.33Å; V240-G244 CarbonylContact O-C 3.5Å; V240-G244 WeakPolarHBondContact O-CA 3.47Å; V240-G244 PolarHBondContact O-N 3.23Å; V240-G244 VanDerWaalsContact O-N 3.16Å; V240-W245 PolarHBondContact O-N 2.79Å; V240-G331 PolarHBondContact N-O 2.91Å
241	S	89.3	Confident	95.3	Very high	23 Å²	23	42.8 Å²	42.8	16%	0.161	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-179.8	-175.4	-164.4	0	0	0	0	113.4	E239 W243 G244 R327 G330 G331	E239-S241 PolarHBondContact O-N 3.39Å; S241-W243 VanDerWaalsContact C-N 3.25Å; S241-W243 PolarHBondContact O-N 3.4Å; S241-G244 PolarHBondContact O-N 3.28Å; S241-R327 CarbonylContact C-O 3.53Å; S241-R327 VanDerWaalsContact C-O 3.32Å; S241-R327 WeakPolarHBondContact CA-O 3.39Å; S241-R327 WeakPolarHBondContact O-CG 3.47Å; S241-R327 PolarHBondContact O-NE 2.69Å; S241-G330 WeakPolarHBondContact CA-O 3.22Å; S241-G330 PolarHBondContact N-O 2.95Å; S241-G331 PolarHBondContact N-O 3.19Å
242	W	85.8	Confident	95.3	Very high	86 Å²	86	45.8 Å²	45.8	33%	0.326	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-45	174.3	-158.3	-109.2	0	0	0	111	G244 R327 A328 M689 L693	W242-G244 PolarHBondContact O-N 2.86Å; W242-G244 VanDerWaalsContact O-N 3.09Å; W242-R327 PolarHBondContact N-O 2.58Å; W242-R327 PolarHBondContact O-NH2 2.75Å; W242-A328 HydrophobicContact CE3-CB 3.92Å; W242-A328 HydrophobicContact CZ3-CB 3.74Å; W242-M689 HydrophobicContact CD2-CE 3.85Å; W242-M689 HydrophobicContact CD2-SD 4.39Å; W242-M689 HydrophobicContact CE3-CE 3.88Å; W242-M689 HydrophobicContact CH2-CB 3.65Å; W242-M689 HydrophobicContact CH2-CE 3.78Å; W242-M689 HydrophobicContact CH2-CG 3.58Å; W242-M689 HydrophobicContact CH2-SD 3.73Å; W242-M689 HydrophobicContact CZ2-CB 3.64Å; W242-M689 HydrophobicContact CZ2-CE 3.7Å; W242-M689 HydrophobicContact CZ2-CG 3.66Å; W242-M689 HydrophobicContact CZ2-SD 3.27Å; W242-M689 WeakPolarHBondContact CZ2-SD 3.36Å; W242-M689 HydrophobicContact CZ3-CE 3.84Å; W242-M689 HydrophobicContact CZ3-CG 4.4Å; W242-M689 HydrophobicContact CZ3-SD 4.41Å; W242-L693 HydrophobicContact CH2-CD1 3.77Å; W242-L693 HydrophobicContact CH2-CD2 4.44Å; W242-L693 HydrophobicContact CH2-CG 4.21Å; W242-L693 HydrophobicContact CZ2-CD1 4.39Å; W242-L693 HydrophobicContact CZ3-CD2 4.49Å
243	W	86.2	Confident	95.2	Very high	203 Å²	203	45.8 Å²	45.8	77%	0.769	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.5	-176	-54.8	107.4	0	0	0	115.8	S241 W245	S241-W243 VanDerWaalsContact C-N 3.25Å; S241-W243 PolarHBondContact O-N 3.4Å; W243-W245 HydrophobicContact CB-CD2 4.47Å; W243-W245 HydrophobicContact CB-CZ2 4.48Å; W243-W245 AromaticContact CD1-NE1 3.78Å
244	G	87.9	Confident	95.1	Very high	24 Å²	24	45.8 Å²	45.8	25%	0.247	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	37.3	-178.7	0	0	0	0	0	113.1	V240 S241 W242	V240-G244 CarbonylContact O-C 3.5Å; V240-G244 WeakPolarHBondContact O-CA 3.47Å; V240-G244 PolarHBondContact O-N 3.23Å; V240-G244 VanDerWaalsContact O-N 3.16Å; S241-G244 PolarHBondContact O-N 3.28Å; W242-G244 PolarHBondContact O-N 2.86Å; W242-G244 VanDerWaalsContact O-N 3.09Å
245	W	91.3	Very high	95	Very high	160 Å²	160	48.8 Å²	48.8	61%	0.606	23%	0.228	S	C	*	.			trans	-56.4	148.6	172.3	-63.8	124.3	0	0	0	111.4	F212 V240 W243	F212-W245 HydrophobicContact CE2-CB 4.34Å; V240-W245 PolarHBondContact O-N 2.79Å; W243-W245 HydrophobicContact CB-CD2 4.47Å; W243-W245 HydrophobicContact CB-CZ2 4.48Å; W243-W245 AromaticContact CD1-NE1 3.78Å
246	R	95.4	Very high	94.8	Very high	127 Å²	127	48.8 Å²	48.8	48%	0.479	23%	0.228	S	C	.	.			trans	-137.6	151.6	-177.7	-68.1	174.1	61.7	-172.9	-4.3	109.2	E251 Y338	R246-E251 IonicContact CZ-OE1 3.98Å; R246-E251 VanDerWaalsContact CZ-OE1 3.3Å; R246-E251 IonicContact CZ-OE2 3.24Å; R246-E251 IonicContact NE-OE1 3.73Å; R246-E251 PolarHBondContact NE-OE1 3.31Å; R246-E251 IonicContact NE-OE2 3.34Å; R246-E251 VanDerWaalsContact NH2-CD 3.27Å; R246-E251 IonicContact NH2-OE1 2.73Å; R246-E251 PolarHBondContact NH2-OE1 3.11Å; R246-E251 IonicContact NH2-OE2 2.75Å; R246-E251 PolarHBondContact NH2-OE2 3.11Å; R246-Y338 HydrophobicContact CG-CD2 3.88Å; R246-Y338 HydrophobicContact CG-CE2 4.04Å; R246-Y338 HydrophobicContact CG-CG 4.44Å
247	N	97.4	Very high	94.7	Very high	17 Å²	17	48.9 Å²	48.9	9%	0.091	23%	0.229	C	C	.	.			trans	-127.9	117	170.3	-175.4	-62.6	0	0	0	108.7	S208 F212 D249 D250 E251	S208-N247 PolarHBondContact O-ND2 2.95Å; S208-N247 PolarHBondContact OG-ND2 2.84Å; F212-N247 HydrophobicContact CB-CB 3.63Å; F212-N247 HydrophobicContact CD1-CB 3.48Å; F212-N247 VanDerWaalsContact CD1-CB 3.48Å; F212-N247 HydrophobicContact CD2-CB 4.01Å; F212-N247 HydrophobicContact CE1-CB 4.06Å; F212-N247 HydrophobicContact CG-CB 3.43Å; F212-N247 VanDerWaalsContact CG-CB 3.43Å; N247-D249 PolarHBondContact O-N 3.4Å; N247-D249 WeakPolarHBondContact OD1-CA 3.32Å; N247-D249 VanDerWaalsContact OD1-CB 3.3Å; N247-D249 WeakPolarHBondContact OD1-CB 3.4Å; N247-D249 PolarHBondContact OD1-N 2.86Å; N247-D250 HydrophobicContact CB-CB 4.08Å; N247-D250 PolarHBondContact O-N 2.87Å; N247-D250 PolarHBondContact OD1-N 3.38Å; N247-E251 PolarHBondContact O-N 3.36Å; N247-E251 VanDerWaalsContact O-N 3.1Å
248	A	97.6	Very high	94.5	Very high	71 Å²	71	49 Å²	49	59%	0.587	23%	0.231	S	C	*	.	H	α-helix	trans	-67.2	-26.7	-177.1	0	0	0	0	0	112.7	H252	A248-H252 VanDerWaalsContact O-CB 3.23Å; A248-H252 WeakPolarHBondContact O-CB 3.43Å; A248-H252 PolarHBondContact O-N 2.88Å
249	D	98.4	Very high	94.3	Very high	52 Å²	52	52.8 Å²	52.8	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-76.4	-27	176.7	-49.5	-57.1	0	0	0	111.2	E205 S208 V209 N247 L253	E205-D249 HydrophobicContact CB-CB 4.17Å; E205-D249 HydrophobicContact CG-CB 4.25Å; S208-D249 WeakPolarHBondContact CB-OD2 3.3Å; S208-D249 PolarHBondContact OG-OD2 2.98Å; V209-D249 VanDerWaalsContact CG2-C 3.43Å; V209-D249 HydrophobicContact CG2-CB 3.95Å; V209-D249 WeakPolarHBondContact CG2-O 3.44Å; N247-D249 PolarHBondContact O-N 3.4Å; N247-D249 WeakPolarHBondContact OD1-CA 3.32Å; N247-D249 VanDerWaalsContact OD1-CB 3.3Å; N247-D249 WeakPolarHBondContact OD1-CB 3.4Å; N247-D249 PolarHBondContact OD1-N 2.86Å; D249-L253 VanDerWaalsContact O-CB 3.24Å; D249-L253 WeakPolarHBondContact O-CB 3.49Å; D249-L253 PolarHBondContact O-N 2.78Å
250	D	98.4	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-75.4	-45.7	172.8	-171.6	87.5	0	0	0	111	V209 F212 R213 N247 H252 L253 V254 Y339	V209-D250 HydrophobicContact CG1-CB 4.15Å; V209-D250 WeakPolarHBondContact CG1-OD1 3.36Å; V209-D250 HydrophobicContact CG2-CB 4.01Å; F212-D250 HydrophobicContact CD1-CB 3.88Å; F212-D250 HydrophobicContact CE1-CB 4.28Å; R213-D250 IonicContact CZ-OD1 3.63Å; R213-D250 IonicContact CZ-OD2 3.92Å; R213-D250 IonicContact NE-OD1 3.56Å; R213-D250 PolarHBondContact NE-OD1 3.39Å; R213-D250 IonicContact NE-OD2 2.74Å; R213-D250 IonicContact NH2-OD1 3.01Å; R213-D250 PolarHBondContact NH2-OD1 3.21Å; R213-D250 IonicContact NH2-OD2 3.54Å; R213-D250 PolarHBondContact NH2-OD2 3.24Å; N247-D250 HydrophobicContact CB-CB 4.08Å; N247-D250 PolarHBondContact O-N 2.87Å; N247-D250 PolarHBondContact OD1-N 3.38Å; D250-H252 PolarHBondContact O-N 2.75Å; D250-L253 PolarHBondContact O-N 2.94Å; D250-V254 WeakPolarHBondContact O-CG2 3.5Å; D250-V254 PolarHBondContact O-N 3.02Å; D250-Y339 PolarHBondContact OD2-OH 3.44Å
251	E	97.6	Very high	94.2	Very high	32 Å²	32	48.5 Å²	48.5	15%	0.15	23%	0.227	C	C	.	.	H	α-helix	trans	-54.4	-41.7	169.2	-68.1	170.7	-160.5	0	0	110.6	R246 N247 Q255 Y339	R246-E251 IonicContact CZ-OE1 3.98Å; R246-E251 VanDerWaalsContact CZ-OE1 3.3Å; R246-E251 IonicContact CZ-OE2 3.24Å; R246-E251 IonicContact NE-OE1 3.73Å; R246-E251 PolarHBondContact NE-OE1 3.31Å; R246-E251 IonicContact NE-OE2 3.34Å; R246-E251 VanDerWaalsContact NH2-CD 3.27Å; R246-E251 IonicContact NH2-OE1 2.73Å; R246-E251 PolarHBondContact NH2-OE1 3.11Å; R246-E251 IonicContact NH2-OE2 2.75Å; R246-E251 PolarHBondContact NH2-OE2 3.11Å; N247-E251 PolarHBondContact O-N 3.36Å; N247-E251 VanDerWaalsContact O-N 3.1Å; E251-Q255 VanDerWaalsContact O-CB 3.31Å; E251-Q255 WeakPolarHBondContact O-CB 3.41Å; E251-Q255 PolarHBondContact O-N 2.97Å; E251-Q255 VanDerWaalsContact O-N 3.15Å; E251-Y339 HydrophobicContact CG-CD1 4.5Å; E251-Y339 HydrophobicContact CG-CE1 4.04Å; E251-Y339 HydrophobicContact CG-CE2 4.16Å
252	H	97.6	Very high	94.2	Very high	62 Å²	62	49.2 Å²	49.2	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-69.6	-42	176.1	-173.5	-131.9	0	0	0	113.6	I201 E205 A248 D250 S256	I201-H252 WeakPolarHBondContact CD1-ND1 3.34Å; E205-H252 IonicContact OE1-CE1 3.67Å; E205-H252 PolarHBondContact OE1-CE1 3.37Å; E205-H252 IonicContact OE1-ND1 2.72Å; E205-H252 PolarHBondContact OE1-ND1 3.43Å; A248-H252 VanDerWaalsContact O-CB 3.23Å; A248-H252 WeakPolarHBondContact O-CB 3.43Å; A248-H252 PolarHBondContact O-N 2.88Å; D250-H252 PolarHBondContact O-N 2.75Å; H252-S256 PolarHBondContact NE2-OG 2.81Å; H252-S256 WeakPolarHBondContact O-CB 3.45Å; H252-S256 PolarHBondContact O-N 2.95Å; H252-S256 PolarHBondContact O-OG 2.77Å
253	L	98.1	Very high	94.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-50.2	178.2	171.8	59.7	0	0	0	111.3	P198 I201 L206 V209 P219 D249 D250 Q255 S256 V257	P198-L253 HydrophobicContact CG-CD1 4.3Å; I201-L253 HydrophobicContact CD1-CB 4.49Å; I201-L253 HydrophobicContact CG1-CD1 4.05Å; I201-L253 HydrophobicContact CG2-CD1 4.28Å; L206-L253 HydrophobicContact CD2-CD1 4.38Å; L206-L253 HydrophobicContact CD2-CD2 4.07Å; V209-L253 HydrophobicContact CB-CD2 4.47Å; V209-L253 HydrophobicContact CG1-CD2 4.03Å; V209-L253 HydrophobicContact CG2-CB 4.4Å; V209-L253 HydrophobicContact CG2-CD2 4.18Å; P219-L253 HydrophobicContact CB-CD2 3.94Å; P219-L253 HydrophobicContact CB-CG 4.28Å; P219-L253 HydrophobicContact CG-CD2 4.03Å; D249-L253 VanDerWaalsContact O-CB 3.24Å; D249-L253 WeakPolarHBondContact O-CB 3.49Å; D249-L253 PolarHBondContact O-N 2.78Å; D250-L253 PolarHBondContact O-N 2.94Å; L253-Q255 VanDerWaalsContact C-N 3.34Å; L253-Q255 PolarHBondContact O-N 2.86Å; L253-S256 CarbonylContact O-C 3.58Å; L253-S256 WeakPolarHBondContact O-CA 3.43Å; L253-S256 WeakPolarHBondContact O-CB 3.46Å; L253-S256 PolarHBondContact O-N 2.92Å; L253-V257 HydrophobicContact CD1-CG2 4.4Å; L253-V257 PolarHBondContact O-N 3.09Å
254	V	97.2	Very high	94.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-43.7	179.5	176.5	0	0	0	0	110.3	P219 D250 S256 V257 L312 I314 Y339 L410	P219-V254 HydrophobicContact CG-CG2 4.09Å; D250-V254 WeakPolarHBondContact O-CG2 3.5Å; D250-V254 PolarHBondContact O-N 3.02Å; V254-S256 VanDerWaalsContact C-N 3.27Å; V254-S256 PolarHBondContact O-N 2.92Å; V254-V257 PolarHBondContact O-N 3.3Å; V254-L312 HydrophobicContact CG1-CD1 4.15Å; V254-L312 HydrophobicContact CG1-CD2 4.07Å; V254-I314 HydrophobicContact CG1-CD1 4.43Å; V254-Y339 HydrophobicContact CB-CD1 4.29Å; V254-Y339 HydrophobicContact CB-CE1 4.33Å; V254-Y339 HydrophobicContact CG1-CD1 4.24Å; V254-Y339 HydrophobicContact CG2-CE1 4.22Å; V254-L410 HydrophobicContact CG1-CD2 4.33Å; V254-L410 HydrophobicContact CG2-CD2 4.01Å
255	Q	95.1	Very high	93.5	Very high	63 Å²	63	39.2 Å²	39.2	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-31.2	173.5	-158.8	-164.9	59.2	0	0	112.4	E251 L253 A258 K259	E251-Q255 VanDerWaalsContact O-CB 3.31Å; E251-Q255 WeakPolarHBondContact O-CB 3.41Å; E251-Q255 PolarHBondContact O-N 2.97Å; E251-Q255 VanDerWaalsContact O-N 3.15Å; L253-Q255 VanDerWaalsContact C-N 3.34Å; L253-Q255 PolarHBondContact O-N 2.86Å; Q255-A258 PolarHBondContact O-N 2.88Å; Q255-K259 WeakPolarHBondContact O-CG 3.17Å; Q255-K259 PolarHBondContact O-N 3.24Å; Q255-K259 VanDerWaalsContact O-N 3.16Å
256	S	96.1	Very high	91.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-75.5	-30.5	178.8	-69.4	0	0	0	0	113.9	W200 H252 L253 V254 A258 K259 A260	W200-S256 VanDerWaalsContact NE1-CB 3.35Å; W200-S256 PolarHBondContact NE1-OG 3.07Å; H252-S256 PolarHBondContact NE2-OG 2.81Å; H252-S256 WeakPolarHBondContact O-CB 3.45Å; H252-S256 PolarHBondContact O-N 2.95Å; H252-S256 PolarHBondContact O-OG 2.77Å; L253-S256 CarbonylContact O-C 3.58Å; L253-S256 WeakPolarHBondContact O-CA 3.43Å; L253-S256 WeakPolarHBondContact O-CB 3.46Å; L253-S256 PolarHBondContact O-N 2.92Å; V254-S256 VanDerWaalsContact C-N 3.27Å; V254-S256 PolarHBondContact O-N 2.92Å; S256-A258 VanDerWaalsContact C-N 3.28Å; S256-A258 PolarHBondContact O-N 3.05Å; S256-K259 PolarHBondContact O-N 3.24Å; S256-A260 WeakPolarHBondContact O-CB 3.39Å; S256-A260 PolarHBondContact O-N 2.81Å
257	V	96.1	Very high	89.9	Confident	3 Å²	3	37 Å²	37	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-42.2	169.5	172	0	0	0	0	110.4	W176 P198 V221 V231 L253 V254 A260 C261 L312	W176-V257 HydrophobicContact CH2-CG1 4.28Å; P198-V257 HydrophobicContact CG-CG2 4.03Å; V221-V257 HydrophobicContact CG2-CG1 4.19Å; V221-V257 HydrophobicContact CG2-CG2 4.39Å; V231-V257 HydrophobicContact CG2-CG1 3.96Å; L253-V257 HydrophobicContact CD1-CG2 4.4Å; L253-V257 PolarHBondContact O-N 3.09Å; V254-V257 PolarHBondContact O-N 3.3Å; V257-A260 PolarHBondContact O-N 3.17Å; V257-C261 VanDerWaalsContact O-CB 3.31Å; V257-C261 WeakPolarHBondContact O-CB 3.48Å; V257-C261 PolarHBondContact O-N 3.16Å; V257-L312 HydrophobicContact CB-CD1 4.27Å; V257-L312 HydrophobicContact CG1-CD1 4.14Å
258	A	93.4	Very high	87.5	Confident	12 Å²	12	39.1 Å²	39.1	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-41.7	175.8	0	0	0	0	0	113.1	Q255 S256 C261 A262 L312 P408	Q255-A258 PolarHBondContact O-N 2.88Å; S256-A258 VanDerWaalsContact C-N 3.28Å; S256-A258 PolarHBondContact O-N 3.05Å; A258-C261 WeakPolarHBondContact O-CB 3.47Å; A258-A262 PolarHBondContact O-N 2.84Å; A258-A262 VanDerWaalsContact O-N 3.1Å; A258-L312 HydrophobicContact CB-CB 4.32Å; A258-L312 HydrophobicContact CB-CD1 4.35Å; A258-P408 HydrophobicContact CB-CG 4.1Å
259	K	92.9	Very high	85	Confident	79 Å²	79	38.8 Å²	38.8	34%	0.343	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-41.3	175.1	-68	168.8	-162.2	161.7	0	112.2	W200 Q255 S256 S263	W200-K259 HydrophobicContact CH2-CB 4.07Å; W200-K259 HydrophobicContact CZ2-CB 3.74Å; W200-K259 HydrophobicContact CZ2-CD 4.43Å; Q255-K259 WeakPolarHBondContact O-CG 3.17Å; Q255-K259 PolarHBondContact O-N 3.24Å; Q255-K259 VanDerWaalsContact O-N 3.16Å; S256-K259 PolarHBondContact O-N 3.24Å; K259-S263 WeakPolarHBondContact O-CB 3.42Å; K259-S263 PolarHBondContact O-N 3.04Å; K259-S263 PolarHBondContact O-OG 3.12Å
260	A	93.4	Very high	82.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-46.6	178.8	0	0	0	0	0	111.3	A175 W176 P198 W200 S256 V257 A262 S263 D264	A175-A260 HydrophobicContact CB-CB 4.46Å; A175-A260 WeakPolarHBondContact O-CB 3.45Å; W176-A260 HydrophobicContact CD2-CB 4.15Å; W176-A260 HydrophobicContact CE3-CB 3.98Å; W176-A260 HydrophobicContact CH2-CB 3.43Å; W176-A260 VanDerWaalsContact CH2-CB 3.43Å; W176-A260 HydrophobicContact CZ2-CB 3.62Å; W176-A260 HydrophobicContact CZ3-CB 3.61Å; P198-A260 HydrophobicContact CB-CB 4.06Å; P198-A260 HydrophobicContact CG-CB 4.3Å; W200-A260 HydrophobicContact CH2-CB 3.77Å; W200-A260 HydrophobicContact CZ2-CB 4.21Å; S256-A260 WeakPolarHBondContact O-CB 3.39Å; S256-A260 PolarHBondContact O-N 2.81Å; V257-A260 PolarHBondContact O-N 3.17Å; A260-A262 PolarHBondContact O-N 3.12Å; A260-S263 PolarHBondContact O-N 3.02Å; A260-S263 VanDerWaalsContact O-N 3.09Å; A260-D264 WeakPolarHBondContact O-CB 3.44Å; A260-D264 PolarHBondContact O-N 3.04Å
261	C	92.2	Very high	79.4	Confident	4 Å²	4	49 Å²	49	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-48.9	-55.9	170.6	-179.6	0	0	0	0	112.3	V231 V257 A258 S263 D264 S265 P408	V231-C261 HydrophobicContact CG2-CB 4Å; V257-C261 VanDerWaalsContact O-CB 3.31Å; V257-C261 WeakPolarHBondContact O-CB 3.48Å; V257-C261 PolarHBondContact O-N 3.16Å; A258-C261 WeakPolarHBondContact O-CB 3.47Å; C261-S263 PolarHBondContact O-N 3.39Å; C261-D264 PolarHBondContact O-N 2.98Å; C261-S265 WeakPolarHBondContact O-CB 3.31Å; C261-S265 PolarHBondContact O-N 3.24Å; C261-S265 VanDerWaalsContact O-N 3.07Å; C261-S265 PolarHBondContact O-OG 2.8Å; C261-P408 HydrophobicContact CB-CB 4.11Å; C261-P408 HydrophobicContact CB-CG 4.35Å
262	A	89.6	Confident	76.7	Confident	38 Å²	38	55 Å²	55	31%	0.314	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-22.7	-179.7	0	0	0	0	0	114.1	A258 A260 P309	A258-A262 PolarHBondContact O-N 2.84Å; A258-A262 VanDerWaalsContact O-N 3.1Å; A260-A262 PolarHBondContact O-N 3.12Å; A262-P309 HydrophobicContact CB-CB 4.4Å
263	S	87.3	Confident	73.8	Confident	63 Å²	63	57.5 Å²	57.5	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-81.8	-44.6	176.3	-57.8	0	0	0	0	111.8	K259 A260 C261 R266	K259-S263 WeakPolarHBondContact O-CB 3.42Å; K259-S263 PolarHBondContact O-N 3.04Å; K259-S263 PolarHBondContact O-OG 3.12Å; A260-S263 PolarHBondContact O-N 3.02Å; A260-S263 VanDerWaalsContact O-N 3.09Å; C261-S263 PolarHBondContact O-N 3.39Å; S263-R266 PolarHBondContact O-N 2.96Å
264	D	84.4	Confident	70.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-63.5	-44.2	179.2	-167.6	-19.9	0	0	0	111.5	D171 A175 W176 R224 A260 C261 R266 S267	D171-D264 PolarHBondContact N-OD2 3.42Å; A175-D264 HydrophobicContact CB-CB 3.75Å; W176-D264 PolarHBondContact NE1-OD2 3.22Å; R224-D264 IonicContact CZ-OD1 2.74Å; R224-D264 IonicContact CZ-OD2 3.65Å; R224-D264 VanDerWaalsContact NE-CG 3.28Å; R224-D264 IonicContact NE-OD1 2.75Å; R224-D264 PolarHBondContact NE-OD1 2.71Å; R224-D264 IonicContact NE-OD2 3.2Å; R224-D264 PolarHBondContact NE-OD2 3.05Å; R224-D264 IonicContact NH2-OD1 2.7Å; R224-D264 PolarHBondContact NH2-OD1 3.29Å; R224-D264 IonicContact NH2-OD2 2.76Å; A260-D264 WeakPolarHBondContact O-CB 3.44Å; A260-D264 PolarHBondContact O-N 3.04Å; C261-D264 PolarHBondContact O-N 2.98Å; D264-R266 PolarHBondContact O-N 3.08Å; D264-S267 VanDerWaalsContact O-CB 3.29Å; D264-S267 WeakPolarHBondContact O-CB 3.34Å; D264-S267 PolarHBondContact O-N 3.44Å; D264-S267 PolarHBondContact O-OG 3.33Å
265	S	73.4	Confident	67.6	Low	40 Å²	40	75.1 Å²	75.1	28%	0.28	42%	0.418	S	S	.	.	H	α-helix	trans	-48.7	-34.4	175.8	-54.5	0	0	0	0	113.3	N228 C261	N228-S265 VanDerWaalsContact O-CB 3.29Å; N228-S265 WeakPolarHBondContact O-CB 3.45Å; N228-S265 PolarHBondContact O-OG 3.28Å; C261-S265 WeakPolarHBondContact O-CB 3.31Å; C261-S265 PolarHBondContact O-N 3.24Å; C261-S265 VanDerWaalsContact O-N 3.07Å; C261-S265 PolarHBondContact O-OG 2.8Å
266	R	59.2	Low	64.9	Low	192 Å²	192	78.2 Å²	78.2	73%	0.725	44%	0.437	S	S	*	.	H	α-helix	trans	-75.4	-23.1	-179.8	-70.1	172.9	151.2	-166.6	-7.1	113.6	S263 D264	S263-R266 PolarHBondContact O-N 2.96Å; D264-R266 PolarHBondContact O-N 3.08Å
267	S	52.4	Low	61.8	Low	48 Å²	48	84.4 Å²	84.4	34%	0.336	48%	0.475	S	S	.	.	H	α-helix	trans	-67.3	-35.7	-178.9	77.3	0	0	0	0	112.5	D264	D264-S267 VanDerWaalsContact O-CB 3.29Å; D264-S267 WeakPolarHBondContact O-CB 3.34Å; D264-S267 PolarHBondContact O-N 3.44Å; D264-S267 PolarHBondContact O-OG 3.33Å
268	S	47.7	Very low	58.9	Low	62 Å²	62	88.7 Å²	88.7	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-77.8	-34.1	-174.2	-59.3	0	0	0	0	113.2	S270	S268-S270 PolarHBondContact O-N 2.87Å
269	G	44.5	Very low	56.2	Low	64 Å²	64	98.4 Å²	98.4	66%	0.66	54%	0.539	S	S	*	.	H	α-helix	trans	-71.4	-24.8	-176.7	0	0	0	0	0	115.5	K271	G269-K271 VanDerWaalsContact C-N 3.27Å; G269-K271 PolarHBondContact O-N 3.26Å; G269-K271 VanDerWaalsContact O-N 3.08Å
270	S	38.2	Very low	53.3	Low	104 Å²	104	99 Å²	99	73%	0.727	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	18.7	-166.8	-168.2	0	0	0	0	115.9	S268	S268-S270 PolarHBondContact O-N 2.87Å
271	K	41.3	Very low	50.6	Low	161 Å²	161	107.5 Å²	107.5	70%	0.7	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	15.6	-172.4	-77.1	177.9	-178.9	164	0	115.8	G269	G269-K271 VanDerWaalsContact C-N 3.27Å; G269-K271 PolarHBondContact O-N 3.26Å; G269-K271 VanDerWaalsContact O-N 3.08Å
272	L	41.3	Very low	48.9	Very low	158 Å²	158	112.8 Å²	112.8	83%	0.827	62%	0.617	S	S	*	*	S	Bend	trans	-135.6	147.8	169.9	-138.4	71.3	0	0	0	111.5
273	S	35.7	Very low	46.2	Very low	115 Å²	115	119.1 Å²	119.1	80%	0.804	65%	0.646	S	S	*	*			trans	64.4	81.3	-179.6	-157.1	0	0	0	0	117.9
274	T	34.4	Very low	43.6	Very low	148 Å²	148	119.2 Å²	119.2	91%	0.908	66%	0.657	S	S	*	*			trans	-159.8	87.9	133.8	-65.9	0	0	0	0	109.1
275	R	32	Very low	41	Very low	223 Å²	223	123.1 Å²	123.1	84%	0.842	70%	0.697	S	S	*	*			trans	-168.3	129.6	171.5	-176.4	165.9	175.8	-173.9	-4.6	106.2
276	N	37.8	Very low	39.1	Very low	129 Å²	129	127.9 Å²	127.9	69%	0.69	72%	0.72	S	S	*	*			cis	-157.9	145.3	20.1	-144.9	17.7	0	0	0	112
277	T	30.6	Very low	38	Very low	129 Å²	129	126.1 Å²	126.1	79%	0.791	72%	0.724	S	S	*	*			trans	175.6	121.9	138.6	31.2	0	0	0	0	108
278	S	34.2	Very low	37.2	Very low	94 Å²	94	128.5 Å²	128.5	66%	0.657	74%	0.74	S	S	*	*				60.7	120.3	69.3	174.4	0	0	0	0	111.5
279	R	36.9	Very low	36.7	Very low	216 Å²	216	132.5 Å²	132.5	82%	0.815	76%	0.757	S	S	*	*			cis	-173.6	172.2	18.9	-117.1	-176.1	143	127.1	6.7	110
280	D	32.8	Very low	36.3	Very low	91 Å²	91	136.2 Å²	136.2	49%	0.487	77%	0.767	S	S	.	*			cis	-162.4	173.9	-13.7	-148.7	-20.8	0	0	0	110.1
281	F	36.9	Very low	36.3	Very low	179 Å²	179	140 Å²	140	79%	0.785	77%	0.773	S	S	*	*			trans	70.6	150.6	163.3	-64.5	-63.7	0	0	0	122.8
282	P	55.4	Low	35.8	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	78%	0.779	S	S	*	*			trans	-126.2	171.4	-170.3	44.6	-31.8	0	0	0	116.3
283	N	34.1	Very low	35.3	Very low	171 Å²	171	140 Å²	140	91%	0.914	77%	0.773	S	S	*	*				-173.2	159.4	126.1	-137.6	-14.7	0	0	0	115.1
284	G	31.4	Very low	35.4	Very low	66 Å²	66	139.3 Å²	139.3	68%	0.68	77%	0.768	S	S	*	*			trans	103.3	79.2	132.3	0	0	0	0	0	122.7
285	G	31.7	Very low	35.5	Very low	82 Å²	82	137.2 Å²	137.2	85%	0.845	76%	0.759	S	S	*	*			trans	67	-174.1	145.3	0	0	0	0	0	119.1
286	D	31.6	Very low	35.9	Very low	140 Å²	140	134.5 Å²	134.5	75%	0.749	76%	0.76	S	S	*	*			cis	-166.5	131.6	-31.6	-171.3	35.4	0	0	0	109
287	L	37.7	Very low	35.8	Very low	154 Å²	154	133.8 Å²	133.8	81%	0.806	77%	0.766	S	S	*	*			trans	59	167	174.5	-61.4	173.2	0	0	0	115.9
288	S	34	Very low	36.4	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	77%	0.772	S	S	*	*			cis	-155.2	149.8	-21.2	45.1	0	0	0	0	110.7
289	D	37.5	Very low	36.3	Very low	147 Å²	147	136 Å²	136	79%	0.786	78%	0.779	S	S	*	*			trans	11.4	119.3	141.1	-167.4	26	0	0	0	120.3
290	V	37.6	Very low	36.5	Very low	142 Å²	142	131.5 Å²	131.5	86%	0.861	78%	0.78	S	S	*	*			trans	-161.7	149.5	144.4	-101.9	0	0	0	0	110.9
291	E	37	Very low	36.9	Very low	183 Å²	183	131.1 Å²	131.1	86%	0.855	80%	0.798	S	S	*	*			trans	-88.9	165.1	-178.6	-55.2	179.6	105.7	0	0	114.3
292	F	31.9	Very low	36.7	Very low	188 Å²	188	127.2 Å²	127.2	83%	0.825	80%	0.799	S	S	*	*			trans	59.9	107.2	142.5	-158.9	-82.3	0	0	0	120
293	D	29.7	Very low	35.8	Very low	131 Å²	131	130.8 Å²	130.8	70%	0.701	81%	0.806	S	S	*	*				-154.8	166.9	110.7	-158	2.7	0	0	0	111
294	S	37.9	Very low	36	Very low	101 Å²	101	127.2 Å²	127.2	71%	0.706	79%	0.794	S	S	*	*			trans	-145.6	91.1	176.7	-73	0	0	0	0	111.6
295	S	36.3	Very low	36.4	Very low	103 Å²	103	132 Å²	132	72%	0.72	80%	0.803	S	S	*	*			trans	-161.3	132.9	160.2	-89.1	0	0	0	0	114.9
296	L	40.6	Very low	36.9	Very low	166 Å²	166	131.5 Å²	131.5	87%	0.869	79%	0.791	S	S	*	*			trans	48.9	97.2	142.9	-56.3	175.8	0	0	0	118.8
297	S	36.7	Very low	37.7	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	79%	0.793	S	S	*	*			trans	-133.6	121.6	143.6	54.9	0	0	0	0	110.7	A299	S297-A299 PolarHBondContact O-N 3.38Å
298	N	42.2	Very low	38.5	Very low	172 Å²	172	133 Å²	133	92%	0.92	79%	0.793	S	S	*	*			trans	-76.4	102.7	172.4	-83.3	-11.8	0	0	0	108.9
299	A	33.1	Very low	39.8	Very low	97 Å²	97	132.4 Å²	132.4	80%	0.802	79%	0.786	S	S	*	*			trans	-99	93.8	171.1	0	0	0	0	0	110.2	S297	S297-A299 PolarHBondContact O-N 3.38Å
300	S	40.7	Very low	41.8	Very low	122 Å²	122	130.1 Å²	130.1	85%	0.853	77%	0.771	S	S	*	*			trans	-72.4	147.9	169.7	54.8	0	0	0	0	111.5
301	G	40.4	Very low	44.3	Very low	84 Å²	84	128.5 Å²	128.5	87%	0.866	75%	0.752	S	S	*	*			trans	107.6	34.8	160.6	0	0	0	0	0	117
302	A	33.5	Very low	47.1	Very low	96 Å²	96	119.9 Å²	119.9	79%	0.793	71%	0.712	S	S	*	*			trans	-139.5	64.8	161	0	0	0	0	0	110.4	S304	A302-S304 PolarHBondContact O-N 3.05Å
303	E	37.1	Very low	50.3	Low	189 Å²	189	111.2 Å²	111.2	88%	0.883	67%	0.674	S	S	*	*			trans	-64.3	91.3	158.9	-72.6	-171.4	150.7	0	0	107.8	L305	E303-L305 PolarHBondContact O-N 3.25Å
304	S	38	Very low	53.6	Low	97 Å²	97	105 Å²	105	68%	0.678	64%	0.641	S	S	*	*			trans	-50.2	129.3	156.4	-178.3	0	0	0	0	107	A302 A306	A302-S304 PolarHBondContact O-N 3.05Å; S304-A306 PolarHBondContact O-N 2.93Å
305	L	39.7	Very low	56.5	Low	166 Å²	166	100.1 Å²	100.1	87%	0.869	61%	0.607	S	S	*	*			trans	-68.6	74.3	175.6	-71	171.7	0	0	0	108.8	E303 I307	E303-L305 PolarHBondContact O-N 3.25Å; L305-I307 PolarHBondContact O-N 3.32Å
306	A	41.7	Very low	59.4	Low	71 Å²	71	95.2 Å²	95.2	59%	0.587	57%	0.573	S	S	*	*			trans	-69.9	86.7	174.5	0	0	0	0	0	107.2	S304 Q308	S304-A306 PolarHBondContact O-N 2.93Å; A306-Q308 PolarHBondContact O-N 3.39Å
307	I	49.3	Very low	62.2	Low	155 Å²	155	87.3 Å²	87.3	80%	0.795	53%	0.532	S	S	*	.			trans	-40.7	111.9	163.3	-59.2	171.5	0	0	0	106.1	L305	L305-I307 PolarHBondContact O-N 3.32Å
308	Q	53	Low	65.1	Low	172 Å²	172	81.9 Å²	81.9	80%	0.804	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-59.1	131.8	179.4	-69	-169.6	0.3	0	0	107	A306 Q310	A306-Q308 PolarHBondContact O-N 3.39Å; Q308-Q310 PolarHBondContact O-N 2.99Å; Q308-Q310 VanDerWaalsContact O-N 3.1Å
309	P	62.9	Low	67.8	Low	84 Å²	84	76 Å²	76	55%	0.545	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-57.9	123.7	-177.8	23.8	-33	0	0	0	108.2	A262 K311	A262-P309 HydrophobicContact CB-CB 4.4Å; P309-K311 PolarHBondContact O-N 3.39Å
310	Q	78.9	Confident	70.7	Confident	99 Å²	99	78.1 Å²	78.1	46%	0.463	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-49.9	132.2	179.3	-72.1	-74.8	40.3	0	0	109.1	Q308 D405 R407	Q308-Q310 PolarHBondContact O-N 2.99Å; Q308-Q310 VanDerWaalsContact O-N 3.1Å; Q310-D405 PolarHBondContact NE2-O 3.16Å; Q310-R407 HydrophobicContact CB-CB 4.38Å; Q310-R407 HydrophobicContact CB-CG 4.22Å
311	K	90.9	Very high	73.4	Confident	108 Å²	108	75.2 Å²	75.2	47%	0.47	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-53.5	146	176.6	-72.6	-170.8	175.2	-166.4	0	109.4	P309 N341 R407	P309-K311 PolarHBondContact O-N 3.39Å; K311-N341 CarbonylContact C-O 3.12Å; K311-N341 WeakPolarHBondContact CA-O 3.46Å; K311-N341 WeakPolarHBondContact CB-O 3.21Å; K311-R407 WeakPolarHBondContact O-CD 3.19Å; K311-R407 WeakPolarHBondContact O-CG 3.49Å; K311-R407 PolarHBondContact O-NE 3.4Å
312	L	95.8	Very high	76	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.01	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141.3	169.9	-171.7	144.7	0	0	0	109.6	V254 V257 A258 I314 N341 C342 E343 R407 P408 L410	V254-L312 HydrophobicContact CG1-CD1 4.15Å; V254-L312 HydrophobicContact CG1-CD2 4.07Å; V257-L312 HydrophobicContact CB-CD1 4.27Å; V257-L312 HydrophobicContact CG1-CD1 4.14Å; A258-L312 HydrophobicContact CB-CB 4.32Å; A258-L312 HydrophobicContact CB-CD1 4.35Å; L312-I314 HydrophobicContact CD2-CD1 4.36Å; L312-I314 HydrophobicContact CD2-CG1 3.46Å; L312-I314 VanDerWaalsContact CD2-CG1 3.46Å; L312-N341 PolarHBondContact N-O 3.37Å; L312-C342 CarbonylContact O-C 3.56Å; L312-C342 VanDerWaalsContact O-CA 3.29Å; L312-C342 WeakPolarHBondContact O-CA 3.47Å; L312-E343 PolarHBondContact O-N 2.77Å; L312-R407 PolarHBondContact O-NH2 2.77Å; L312-R407 VanDerWaalsContact O-NH2 3.12Å; L312-P408 WeakPolarHBondContact CA-O 3.41Å; L312-P408 HydrophobicContact CB-CG 4.35Å; L312-P408 HydrophobicContact CD1-CB 4.37Å; L312-P408 HydrophobicContact CG-CB 4.5Å; L312-P408 HydrophobicContact CG-CG 4.44Å; L312-L410 HydrophobicContact CD2-CB 3.77Å
313	L	98.2	Very high	78.9	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.9	170.8	177	60.8	0	0	0	109.1	V345 L397 A401 P408 V409 L410	L313-V345 HydrophobicContact CD1-CB 4.31Å; L313-V345 HydrophobicContact CD1-CG2 3.7Å; L313-L397 HydrophobicContact CD2-CG 4.39Å; L313-A401 HydrophobicContact CD2-CB 3.84Å; L313-P408 PolarHBondContact N-O 3.16Å; L313-V409 HydrophobicContact CB-CG1 4.29Å; L313-V409 HydrophobicContact CB-CG2 4.28Å; L313-V409 HydrophobicContact CD2-CG1 4.3Å; L313-V409 HydrophobicContact CD2-CG2 4.41Å; L313-V409 HydrophobicContact CG-CG1 4.3Å; L313-V409 CarbonylContact O-C 3.46Å; L313-V409 VanDerWaalsContact O-CA 3.31Å; L313-V409 WeakPolarHBondContact O-CA 3.41Å; L313-L410 PolarHBondContact O-N 3.41Å
314	I	98.6	Very high	81.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.2	169.9	-56.4	-178.3	0	0	0	107	V254 L312 E334 C342 E343 V344 V345 L410 H412	V254-I314 HydrophobicContact CG1-CD1 4.43Å; L312-I314 HydrophobicContact CD2-CD1 4.36Å; L312-I314 HydrophobicContact CD2-CG1 3.46Å; L312-I314 VanDerWaalsContact CD2-CG1 3.46Å; I314-E334 HydrophobicContact CD1-CB 3.78Å; I314-E334 HydrophobicContact CD1-CG 3.74Å; I314-C342 HydrophobicContact CD1-CB 3.84Å; I314-C342 HydrophobicContact CG1-CB 4.13Å; I314-E343 PolarHBondContact N-O 3.46Å; I314-V344 HydrophobicContact CB-CG2 4.22Å; I314-V344 HydrophobicContact CD1-CG2 4.37Å; I314-V344 HydrophobicContact CG2-CG1 4.42Å; I314-V344 WeakPolarHBondContact O-CA 3.41Å; I314-V345 PolarHBondContact O-N 2.92Å; I314-L410 WeakPolarHBondContact CA-O 3.26Å; I314-H412 WeakPolarHBondContact CG2-NE2 3.41Å
315	L	98.6	Very high	84.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	101.9	179.9	-169.6	159.2	0	0	0	108.7	M347 L397 V398 L410 V411 H412 I423	L315-M347 HydrophobicContact CD1-CG 4.27Å; L315-M347 HydrophobicContact CD1-SD 4.16Å; L315-M347 HydrophobicContact CD2-CG 3.49Å; L315-M347 VanDerWaalsContact CD2-CG 3.49Å; L315-M347 HydrophobicContact CD2-SD 4.42Å; L315-M347 HydrophobicContact CG-CG 3.85Å; L315-M347 HydrophobicContact CG-SD 4.17Å; L315-L397 HydrophobicContact CD1-CB 4.35Å; L315-L397 HydrophobicContact CD1-CD2 3.91Å; L315-L397 HydrophobicContact CD1-CG 4.22Å; L315-V398 HydrophobicContact CD1-CG2 3.76Å; L315-L410 PolarHBondContact N-O 2.9Å; L315-V411 HydrophobicContact CD2-CG1 4.28Å; L315-H412 PolarHBondContact O-N 3.03Å; L315-I423 HydrophobicContact CD2-CD1 3.84Å
316	D	98.7	Very high	86.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.4	169.6	-170.5	-18.4	0	0	0	108.3	R318 V345 F346 M347 H412	D316-R318 VanDerWaalsContact CG-NE 3.34Å; D316-R318 PolarHBondContact O-N 3.12Å; D316-R318 VanDerWaalsContact O-N 3.13Å; D316-R318 WeakPolarHBondContact OD1-CB 3.46Å; D316-R318 VanDerWaalsContact OD1-CG 3.23Å; D316-R318 WeakPolarHBondContact OD1-CG 3.3Å; D316-R318 IonicContact OD1-CZ 3.89Å; D316-R318 PolarHBondContact OD1-N 3.39Å; D316-R318 IonicContact OD1-NE 3.07Å; D316-R318 PolarHBondContact OD1-NE 3.48Å; D316-R318 IonicContact OD1-NH2 2.97Å; D316-R318 IonicContact OD2-CZ 2.69Å; D316-R318 VanDerWaalsContact OD2-CZ 3.22Å; D316-R318 IonicContact OD2-NE 3.71Å; D316-R318 PolarHBondContact OD2-NE 2.87Å; D316-R318 IonicContact OD2-NH2 2.86Å; D316-R318 PolarHBondContact OD2-NH2 3.3Å; D316-V345 PolarHBondContact N-O 3.49Å; D316-F346 HydrophobicContact CB-CD1 3.75Å; D316-F346 HydrophobicContact CB-CE1 3.89Å; D316-F346 WeakPolarHBondContact O-CA 3.27Å; D316-F346 WeakPolarHBondContact OD2-CE1 3.42Å; D316-M347 PolarHBondContact O-N 2.9Å; D316-H412 VanDerWaalsContact CG-CE1 3.43Å; D316-H412 IonicContact OD2-CE1 3.2Å; D316-H412 PolarHBondContact OD2-CE1 3.32Å
317	A	98.6	Very high	89.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-62.5	-20	177.9	0	0	0	0	0	113.2	G348 M349 H412 C413 R419 I423	A317-G348 PolarHBondContact O-N 3.23Å; A317-M349 HydrophobicContact CB-SD 3.93Å; A317-M349 WeakPolarHBondContact O-CA 3.44Å; A317-M349 WeakPolarHBondContact O-CB 3.35Å; A317-M349 PolarHBondContact O-N 3.49Å; A317-H412 PolarHBondContact N-O 3.43Å; A317-C413 HydrophobicContact CB-CB 3.88Å; A317-R419 HydrophobicContact CB-CB 3.59Å; A317-R419 HydrophobicContact CB-CG 4.34Å; A317-I423 HydrophobicContact CB-CD1 3.63Å
318	R	98.3	Very high	91.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-75.5	169.5	-174	-62.1	175.1	-65.7	-175.9	7.8	112.7	D316 A322 N326 G332 F346 M347 G348 C413 S414	D316-R318 VanDerWaalsContact CG-NE 3.34Å; D316-R318 PolarHBondContact O-N 3.12Å; D316-R318 VanDerWaalsContact O-N 3.13Å; D316-R318 WeakPolarHBondContact OD1-CB 3.46Å; D316-R318 VanDerWaalsContact OD1-CG 3.23Å; D316-R318 WeakPolarHBondContact OD1-CG 3.3Å; D316-R318 IonicContact OD1-CZ 3.89Å; D316-R318 PolarHBondContact OD1-N 3.39Å; D316-R318 IonicContact OD1-NE 3.07Å; D316-R318 PolarHBondContact OD1-NE 3.48Å; D316-R318 IonicContact OD1-NH2 2.97Å; D316-R318 IonicContact OD2-CZ 2.69Å; D316-R318 VanDerWaalsContact OD2-CZ 3.22Å; D316-R318 IonicContact OD2-NE 3.71Å; D316-R318 PolarHBondContact OD2-NE 2.87Å; D316-R318 IonicContact OD2-NH2 2.86Å; D316-R318 PolarHBondContact OD2-NH2 3.3Å; R318-A322 HydrophobicContact CB-CB 4.26Å; R318-N326 VanDerWaalsContact NH1-CG 3.32Å; R318-N326 PolarHBondContact NH1-OD1 3.23Å; R318-G332 PolarHBondContact NH2-O 3.32Å; R318-F346 CarbonylContact O-C 3.53Å; R318-F346 WeakPolarHBondContact O-CB 3.27Å; R318-M347 PolarHBondContact O-N 2.8Å; R318-G348 PolarHBondContact O-N 3.45Å; R318-C413 HydrophobicContact CG-CB 4.32Å; R318-S414 WeakPolarHBondContact CD-OG 3.33Å; R318-S414 PolarHBondContact NH1-OG 3.29Å; R318-S414 VanDerWaalsContact NH1-OG 3.16Å
319	S	97.1	Very high	93.1	Very high	47 Å²	47	44.3 Å²	44.3	33%	0.329	24%	0.237	S	C	.	.			trans	-74.7	153.2	157.8	63.9	0	0	0	0	109.9	A321 A322 A323	S319-A321 VanDerWaalsContact C-N 3.26Å; S319-A321 PolarHBondContact O-N 3.06Å; S319-A322 PolarHBondContact O-N 2.92Å; S319-A322 VanDerWaalsContact O-N 3.08Å; S319-A322 VanDerWaalsContact OG-CB 3.3Å; S319-A322 WeakPolarHBondContact OG-CB 3.43Å; S319-A322 PolarHBondContact OG-N 3.48Å; S319-A322 VanDerWaalsContact OG-N 3.17Å; S319-A323 PolarHBondContact O-N 2.88Å
320	Y	95.8	Very high	94.4	Very high	142 Å²	142	41.4 Å²	41.4	56%	0.557	22%	0.223	S	C	*	.	H	α-helix	trans	-54.4	-43.5	173.6	177	-103	0	0	0	111.9	A322 A323 V324 F346	Y320-A322 VanDerWaalsContact C-N 3.34Å; Y320-A322 PolarHBondContact O-N 3.21Å; Y320-A323 WeakPolarHBondContact O-CB 3.49Å; Y320-A323 PolarHBondContact O-N 3.37Å; Y320-A323 VanDerWaalsContact O-N 3.13Å; Y320-V324 HydrophobicContact CD1-CG2 4.25Å; Y320-V324 HydrophobicContact CD2-CG2 4.47Å; Y320-V324 HydrophobicContact CE1-CG2 3.8Å; Y320-V324 HydrophobicContact CE2-CG2 4.05Å; Y320-V324 WeakPolarHBondContact O-CG2 3.22Å; Y320-V324 PolarHBondContact O-N 3.34Å; Y320-F346 HydrophobicContact CD2-CD2 4.15Å; Y320-F346 HydrophobicContact CD2-CE1 4.43Å; Y320-F346 AromaticContact CD2-CE2 3.75Å; Y320-F346 HydrophobicContact CD2-CE2 3.75Å; Y320-F346 AromaticContact CD2-CZ 3.91Å; Y320-F346 HydrophobicContact CD2-CZ 3.91Å
321	A	95.9	Very high	95.1	Very high	61 Å²	61	36.9 Å²	36.9	50%	0.504	20%	0.203	S	C	.	.	H	α-helix	trans	-58.4	-42.5	175.6	0	0	0	0	0	112.6	S319 V324 A325	S319-A321 VanDerWaalsContact C-N 3.26Å; S319-A321 PolarHBondContact O-N 3.06Å; A321-V324 PolarHBondContact O-N 3.38Å; A321-A325 WeakPolarHBondContact O-CB 3.38Å; A321-A325 PolarHBondContact O-N 2.78Å
322	A	95.8	Very high	95.2	Very high	33 Å²	33	31.8 Å²	31.8	27%	0.273	18%	0.181	S	C	.	.	H	α-helix	trans	-69.2	-33.4	176	0	0	0	0	0	112.7	R318 S319 Y320 A325 N326	R318-A322 HydrophobicContact CB-CB 4.26Å; S319-A322 PolarHBondContact O-N 2.92Å; S319-A322 VanDerWaalsContact O-N 3.08Å; S319-A322 VanDerWaalsContact OG-CB 3.3Å; S319-A322 WeakPolarHBondContact OG-CB 3.43Å; S319-A322 PolarHBondContact OG-N 3.48Å; S319-A322 VanDerWaalsContact OG-N 3.17Å; Y320-A322 VanDerWaalsContact C-N 3.34Å; Y320-A322 PolarHBondContact O-N 3.21Å; A322-A325 PolarHBondContact O-N 2.91Å; A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 PolarHBondContact O-N 2.87Å; A322-N326 PolarHBondContact O-ND2 2.93Å
323	A	94.9	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-41.1	172.8	0	0	0	0	0	111.9	S319 Y320 N326 R327 C333 F346	S319-A323 PolarHBondContact O-N 2.88Å; Y320-A323 WeakPolarHBondContact O-CB 3.49Å; Y320-A323 PolarHBondContact O-N 3.37Å; Y320-A323 VanDerWaalsContact O-N 3.13Å; A323-N326 WeakPolarHBondContact O-CB 3.48Å; A323-N326 PolarHBondContact O-N 3.44Å; A323-R327 PolarHBondContact O-N 2.81Å; A323-C333 HydrophobicContact CB-CB 4.31Å; A323-F346 HydrophobicContact CB-CD1 4.23Å; A323-F346 HydrophobicContact CB-CE1 3.64Å
324	V	93.6	Very high	95	Very high	24 Å²	24	32.7 Å²	32.7	15%	0.145	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-40	173.4	174.9	0	0	0	0	111.7	Y320 A321 N326 R327 A328 I692	Y320-V324 HydrophobicContact CD1-CG2 4.25Å; Y320-V324 HydrophobicContact CD2-CG2 4.47Å; Y320-V324 HydrophobicContact CE1-CG2 3.8Å; Y320-V324 HydrophobicContact CE2-CG2 4.05Å; Y320-V324 WeakPolarHBondContact O-CG2 3.22Å; Y320-V324 PolarHBondContact O-N 3.34Å; A321-V324 PolarHBondContact O-N 3.38Å; V324-N326 VanDerWaalsContact C-N 3.32Å; V324-N326 PolarHBondContact O-N 3.13Å; V324-R327 WeakPolarHBondContact O-CA 3.43Å; V324-R327 VanDerWaalsContact O-CB 3.31Å; V324-R327 WeakPolarHBondContact O-CB 3.23Å; V324-R327 PolarHBondContact O-N 2.9Å; V324-R327 VanDerWaalsContact O-N 3.1Å; V324-A328 PolarHBondContact O-N 3.44Å; V324-I692 HydrophobicContact CG1-CG2 4Å
325	A	93.9	Very high	94.7	Very high	24 Å²	24	34.9 Å²	34.9	20%	0.198	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-35.8	173	0	0	0	0	0	112.3	A321 A322 R327 A328 K329 A696	A321-A325 WeakPolarHBondContact O-CB 3.38Å; A321-A325 PolarHBondContact O-N 2.78Å; A322-A325 PolarHBondContact O-N 2.91Å; A325-R327 VanDerWaalsContact C-N 3.35Å; A325-A328 PolarHBondContact O-N 2.9Å; A325-K329 PolarHBondContact O-N 2.96Å; A325-A696 HydrophobicContact CB-CB 4.36Å
326	N	93.7	Very high	94.2	Very high	36 Å²	36	38 Å²	38	19%	0.193	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-36.8	170.4	-86	-108.8	0	0	0	111.7	Q237 R318 A322 A323 V324 A328 K329 G330 G331 S414	Q237-N326 PolarHBondContact NE2-OD1 2.95Å; Q237-N326 PolarHBondContact OE1-OD1 2.87Å; R318-N326 VanDerWaalsContact NH1-CG 3.32Å; R318-N326 PolarHBondContact NH1-OD1 3.23Å; A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 PolarHBondContact O-N 2.87Å; A322-N326 PolarHBondContact O-ND2 2.93Å; A323-N326 WeakPolarHBondContact O-CB 3.48Å; A323-N326 PolarHBondContact O-N 3.44Å; V324-N326 VanDerWaalsContact C-N 3.32Å; V324-N326 PolarHBondContact O-N 3.13Å; N326-A328 VanDerWaalsContact C-N 3.32Å; N326-A328 PolarHBondContact O-N 3.13Å; N326-K329 CarbonylContact O-C 3.28Å; N326-K329 VanDerWaalsContact O-C 3.25Å; N326-K329 WeakPolarHBondContact O-CA 3.43Å; N326-K329 PolarHBondContact O-N 3.34Å; N326-G330 PolarHBondContact O-N 3.43Å; N326-G330 VanDerWaalsContact O-N 3.1Å; N326-G331 WeakPolarHBondContact O-CA 3.19Å; N326-G331 PolarHBondContact O-N 3.38Å; N326-S414 VanDerWaalsContact CG-OG 3.32Å; N326-S414 PolarHBondContact ND2-OG 3.3Å; N326-S414 PolarHBondContact OD1-OG 3Å
327	R	92.6	Very high	93.7	Very high	74 Å²	74	44.6 Å²	44.6	28%	0.279	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-39.6	174.5	-168.7	177.4	166.5	-175.2	-10.7	112.4	S241 W242 A323 V324 A325 K329 G330 G331	S241-R327 CarbonylContact C-O 3.53Å; S241-R327 VanDerWaalsContact C-O 3.32Å; S241-R327 WeakPolarHBondContact CA-O 3.39Å; S241-R327 WeakPolarHBondContact O-CG 3.47Å; S241-R327 PolarHBondContact O-NE 2.69Å; W242-R327 PolarHBondContact N-O 2.58Å; W242-R327 PolarHBondContact O-NH2 2.75Å; A323-R327 PolarHBondContact O-N 2.81Å; V324-R327 WeakPolarHBondContact O-CA 3.43Å; V324-R327 VanDerWaalsContact O-CB 3.31Å; V324-R327 WeakPolarHBondContact O-CB 3.23Å; V324-R327 PolarHBondContact O-N 2.9Å; V324-R327 VanDerWaalsContact O-N 3.1Å; A325-R327 VanDerWaalsContact C-N 3.35Å; R327-K329 VanDerWaalsContact C-N 3.33Å; R327-G330 PolarHBondContact O-N 3.13Å; R327-G331 WeakPolarHBondContact CA-O 3.49Å
328	A	91.1	Very high	93.4	Very high	41 Å²	41	49.1 Å²	49.1	34%	0.339	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-37.3	171.1	0	0	0	0	0	112.6	W242 V324 A325 N326 G330 L693	W242-A328 HydrophobicContact CE3-CB 3.92Å; W242-A328 HydrophobicContact CZ3-CB 3.74Å; V324-A328 PolarHBondContact O-N 3.44Å; A325-A328 PolarHBondContact O-N 2.9Å; N326-A328 VanDerWaalsContact C-N 3.32Å; N326-A328 PolarHBondContact O-N 3.13Å; A328-G330 PolarHBondContact O-N 2.8Å; A328-L693 HydrophobicContact CB-CD2 3.94Å
329	K	91.6	Very high	93.1	Very high	149 Å²	149	49.6 Å²	49.6	65%	0.648	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	14.8	175.8	-61.6	-179.9	-178.3	-178.7	0	113.3	A325 N326 R327 E700	A325-K329 PolarHBondContact O-N 2.96Å; N326-K329 CarbonylContact O-C 3.28Å; N326-K329 VanDerWaalsContact O-C 3.25Å; N326-K329 WeakPolarHBondContact O-CA 3.43Å; N326-K329 PolarHBondContact O-N 3.34Å; R327-K329 VanDerWaalsContact C-N 3.33Å; K329-E700 IonicContact NZ-OE1 2.73Å; K329-E700 PolarHBondContact NZ-OE1 2.79Å; K329-E700 IonicContact NZ-OE2 3.34Å
330	G	89.8	Confident	92.6	Very high	24 Å²	24	51.1 Å²	51.1	25%	0.247	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.3	-18.9	174	0	0	0	0	0	116.5	E239 S241 N326 R327 A328	E239-G330 CarbonylContact C-O 3.55Å; E239-G330 WeakPolarHBondContact CA-O 3.36Å; S241-G330 WeakPolarHBondContact CA-O 3.22Å; S241-G330 PolarHBondContact N-O 2.95Å; N326-G330 PolarHBondContact O-N 3.43Å; N326-G330 VanDerWaalsContact O-N 3.1Å; R327-G330 PolarHBondContact O-N 3.13Å; A328-G330 PolarHBondContact O-N 2.8Å
331	G	93.7	Very high	92.3	Very high	4 Å²	4	48 Å²	48	4%	0.041	27%	0.274	C	S	.	.			trans	-77.6	-139.6	175.4	0	0	0	0	0	113.1	P238 V240 S241 N326 R327	P238-G331 CarbonylContact O-C 3.59Å; V240-G331 PolarHBondContact N-O 2.91Å; S241-G331 PolarHBondContact N-O 3.19Å; N326-G331 WeakPolarHBondContact O-CA 3.19Å; N326-G331 PolarHBondContact O-N 3.38Å; R327-G331 WeakPolarHBondContact CA-O 3.49Å
332	G	92.5	Very high	92.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.			trans	148.9	-155.8	174.7	0	0	0	0	0	114.1	Q237 P238 R318	Q237-G332 PolarHBondContact OE1-O 3.11Å; P238-G332 PolarHBondContact O-N 3.49Å; P238-G332 VanDerWaalsContact O-N 3.11Å; R318-G332 PolarHBondContact NH2-O 3.32Å
333	C	95.1	Very high	92.2	Very high	24 Å²	24	48.1 Å²	48.1	16%	0.162	26%	0.26	C	S	.	.			trans	-149.2	157.7	177.3	60.2	0	0	0	0	109.5	A323 F346	A323-C333 HydrophobicContact CB-CB 4.31Å; C333-F346 HydrophobicContact CB-CE1 4.1Å; C333-F346 HydrophobicContact CB-CZ 4.06Å
334	E	95.4	Very high	92.3	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.019	27%	0.268	C	S	.	.			trans	-61.7	138.7	-179.5	-70.1	86.9	152	0	0	111.8	R213 P238 I314 Y339 V344 H412	R213-E334 IonicContact CZ-OE1 2.71Å; R213-E334 IonicContact NH1-OE1 3.46Å; R213-E334 PolarHBondContact NH1-OE1 3.29Å; R213-E334 IonicContact NH2-OE1 3.24Å; R213-E334 PolarHBondContact NH2-OE1 2.81Å; P238-E334 WeakPolarHBondContact CD-OE2 3.31Å; P238-E334 HydrophobicContact CG-CG 4.21Å; P238-E334 WeakPolarHBondContact CG-OE2 3.45Å; I314-E334 HydrophobicContact CD1-CB 3.78Å; I314-E334 HydrophobicContact CD1-CG 3.74Å; E334-Y339 HydrophobicContact CB-CD1 4.48Å; E334-Y339 HydrophobicContact CB-CD2 3.78Å; E334-Y339 HydrophobicContact CB-CE2 3.86Å; E334-Y339 HydrophobicContact CB-CG 4.12Å; E334-Y339 HydrophobicContact CG-CD1 4.15Å; E334-Y339 HydrophobicContact CG-CD2 4.11Å; E334-Y339 HydrophobicContact CG-CE1 3.83Å; E334-Y339 HydrophobicContact CG-CE2 3.81Å; E334-Y339 HydrophobicContact CG-CG 4.29Å; E334-V344 HydrophobicContact CB-CG2 4.24Å; E334-H412 IonicContact OE2-CE1 2.79Å; E334-H412 IonicContact OE2-NE2 3.58Å; E334-H412 PolarHBondContact OE2-NE2 2.84Å
335	C	91.4	Very high	92.5	Very high	45 Å²	45	50.3 Å²	50.3	30%	0.304	27%	0.273	S	S	.	.			trans	-102.2	118.3	-177.7	-146.7	0	0	0	0	109.1	E337 Y338 Y339	C335-E337 PolarHBondContact O-N 3.24Å; C335-E337 PolarHBondContact SG-OE2 3.34Å; C335-Y338 HydrophobicContact CB-CD2 3.59Å; C335-Y338 HydrophobicContact CB-CE2 4.01Å; C335-Y338 HydrophobicContact CB-CG 4.33Å; C335-Y338 PolarHBondContact O-N 3.39Å; C335-Y339 WeakPolarHBondContact O-CD2 3.49Å; C335-Y339 PolarHBondContact O-N 2.76Å; C335-Y339 VanDerWaalsContact O-N 3.07Å
336	P	88.1	Confident	92.7	Very high	66 Å²	66	52 Å²	52	43%	0.429	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.3	-173.9	-29.7	36.8	0	0	0	115.3	Y338 Y339 P340	P336-Y338 VanDerWaalsContact C-N 3.29Å; P336-Y338 PolarHBondContact O-N 3.01Å; P336-Y339 CarbonylContact O-C 3.56Å; P336-Y339 VanDerWaalsContact O-C 3.28Å; P336-Y339 PolarHBondContact O-N 3.17Å; P336-P340 WeakPolarHBondContact O-CA 3.47Å
337	E	89.3	Confident	92.9	Very high	138 Å²	138	52 Å²	52	65%	0.645	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.6	176.2	-61.5	72	-160.4	0	0	113.2	C335	C335-E337 PolarHBondContact O-N 3.24Å; C335-E337 PolarHBondContact SG-OE2 3.34Å
338	Y	90.9	Very high	93.1	Very high	95 Å²	95	50.6 Å²	50.6	37%	0.373	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-20.4	178.4	-50.7	-36.4	0	0	0	112.3	R246 C335 P336 P340	R246-Y338 HydrophobicContact CG-CD2 3.88Å; R246-Y338 HydrophobicContact CG-CE2 4.04Å; R246-Y338 HydrophobicContact CG-CG 4.44Å; C335-Y338 HydrophobicContact CB-CD2 3.59Å; C335-Y338 HydrophobicContact CB-CE2 4.01Å; C335-Y338 HydrophobicContact CB-CG 4.33Å; C335-Y338 PolarHBondContact O-N 3.39Å; P336-Y338 VanDerWaalsContact C-N 3.29Å; P336-Y338 PolarHBondContact O-N 3.01Å; Y338-P340 WeakPolarHBondContact O-CD 3.48Å
339	Y	93.8	Very high	93.5	Very high	11 Å²	11	49.2 Å²	49.2	4%	0.043	27%	0.27	C	S	.	.	S	Bend	trans	-115.1	61	175.2	-61.6	-101.5	0	0	0	110.2	D250 E251 V254 E334 C335 P336 N341 C342	D250-Y339 PolarHBondContact OD2-OH 3.44Å; E251-Y339 HydrophobicContact CG-CD1 4.5Å; E251-Y339 HydrophobicContact CG-CE1 4.04Å; E251-Y339 HydrophobicContact CG-CE2 4.16Å; V254-Y339 HydrophobicContact CB-CD1 4.29Å; V254-Y339 HydrophobicContact CB-CE1 4.33Å; V254-Y339 HydrophobicContact CG1-CD1 4.24Å; V254-Y339 HydrophobicContact CG2-CE1 4.22Å; E334-Y339 HydrophobicContact CB-CD1 4.48Å; E334-Y339 HydrophobicContact CB-CD2 3.78Å; E334-Y339 HydrophobicContact CB-CE2 3.86Å; E334-Y339 HydrophobicContact CB-CG 4.12Å; E334-Y339 HydrophobicContact CG-CD1 4.15Å; E334-Y339 HydrophobicContact CG-CD2 4.11Å; E334-Y339 HydrophobicContact CG-CE1 3.83Å; E334-Y339 HydrophobicContact CG-CE2 3.81Å; E334-Y339 HydrophobicContact CG-CG 4.29Å; C335-Y339 WeakPolarHBondContact O-CD2 3.49Å; C335-Y339 PolarHBondContact O-N 2.76Å; C335-Y339 VanDerWaalsContact O-N 3.07Å; P336-Y339 CarbonylContact O-C 3.56Å; P336-Y339 VanDerWaalsContact O-C 3.28Å; P336-Y339 PolarHBondContact O-N 3.17Å; Y339-N341 VanDerWaalsContact C-N 3.25Å; Y339-N341 PolarHBondContact O-N 3.07Å; Y339-N341 VanDerWaalsContact O-N 3.09Å; Y339-C342 WeakPolarHBondContact O-CA 3.38Å; Y339-C342 VanDerWaalsContact O-CB 3.28Å; Y339-C342 WeakPolarHBondContact O-CB 3.26Å; Y339-C342 PolarHBondContact O-N 3.1Å
340	P	85.8	Confident	93.7	Very high	79 Å²	79	43.3 Å²	43.3	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.8	-163.9	25.2	-36.8	0	0	0	115.3	P336 Y338 C342	P336-P340 WeakPolarHBondContact O-CA 3.47Å; Y338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-C342 VanDerWaalsContact C-N 3.31Å
341	N	89.9	Confident	94	Very high	75 Å²	75	45.5 Å²	45.5	40%	0.401	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	15.9	175.2	-66.9	0.6	0	0	0	112.5	K311 L312 Y339	K311-N341 CarbonylContact C-O 3.12Å; K311-N341 WeakPolarHBondContact CA-O 3.46Å; K311-N341 WeakPolarHBondContact CB-O 3.21Å; L312-N341 PolarHBondContact N-O 3.37Å; Y339-N341 VanDerWaalsContact C-N 3.25Å; Y339-N341 PolarHBondContact O-N 3.07Å; Y339-N341 VanDerWaalsContact O-N 3.09Å
342	C	94.6	Very high	94.2	Very high	10 Å²	10	46.3 Å²	46.3	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	173.4	178.9	-55.2	0	0	0	0	111.6	L312 I314 Y339 P340	L312-C342 CarbonylContact O-C 3.56Å; L312-C342 VanDerWaalsContact O-CA 3.29Å; L312-C342 WeakPolarHBondContact O-CA 3.47Å; I314-C342 HydrophobicContact CD1-CB 3.84Å; I314-C342 HydrophobicContact CG1-CB 4.13Å; Y339-C342 WeakPolarHBondContact O-CA 3.38Å; Y339-C342 VanDerWaalsContact O-CB 3.28Å; Y339-C342 WeakPolarHBondContact O-CB 3.26Å; Y339-C342 PolarHBondContact O-N 3.1Å; P340-C342 VanDerWaalsContact C-N 3.31Å
343	E	95.6	Very high	94.3	Very high	88 Å²	88	49.8 Å²	49.8	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.4	171.6	-174.3	-178.5	175.6	0	0	107.1	L312 I314 R407	L312-E343 PolarHBondContact O-N 2.77Å; I314-E343 PolarHBondContact N-O 3.46Å; E343-R407 IonicContact OE2-CZ 3.2Å; E343-R407 IonicContact OE2-NH1 3.31Å; E343-R407 PolarHBondContact OE2-NH1 3.28Å; E343-R407 IonicContact OE2-NH2 3.63Å; E343-R407 PolarHBondContact OE2-NH2 3.34Å
344	V	96.3	Very high	94.5	Very high	29 Å²	29	50.1 Å²	50.1	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.1	-175	-171.4	0	0	0	0	109.7	I314 E334 F346	I314-V344 HydrophobicContact CB-CG2 4.22Å; I314-V344 HydrophobicContact CD1-CG2 4.37Å; I314-V344 HydrophobicContact CG2-CG1 4.42Å; I314-V344 WeakPolarHBondContact O-CA 3.41Å; E334-V344 HydrophobicContact CB-CG2 4.24Å; V344-F346 HydrophobicContact CB-CE2 4.46Å; V344-F346 HydrophobicContact CG1-CD2 4.46Å; V344-F346 HydrophobicContact CG1-CE1 4.37Å; V344-F346 HydrophobicContact CG1-CE2 3.72Å; V344-F346 HydrophobicContact CG1-CZ 3.66Å
345	V	97.9	Very high	94.6	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.248	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.5	178.4	178.8	0	0	0	0	109.8	L313 I314 D316 M347 L397	L313-V345 HydrophobicContact CD1-CB 4.31Å; L313-V345 HydrophobicContact CD1-CG2 3.7Å; I314-V345 PolarHBondContact O-N 2.92Å; D316-V345 PolarHBondContact N-O 3.49Å; V345-M347 HydrophobicContact CG1-SD 3.96Å; V345-L397 HydrophobicContact CG1-CD2 3.97Å
346	F	98.3	Very high	94.8	Very high	58 Å²	58	50.2 Å²	50.2	25%	0.254	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.2	-178.6	-65.5	-83.6	0	0	0	110.5	D316 R318 Y320 A323 C333 V344	D316-F346 HydrophobicContact CB-CD1 3.75Å; D316-F346 HydrophobicContact CB-CE1 3.89Å; D316-F346 WeakPolarHBondContact O-CA 3.27Å; D316-F346 WeakPolarHBondContact OD2-CE1 3.42Å; R318-F346 CarbonylContact O-C 3.53Å; R318-F346 WeakPolarHBondContact O-CB 3.27Å; Y320-F346 HydrophobicContact CD2-CD2 4.15Å; Y320-F346 HydrophobicContact CD2-CE1 4.43Å; Y320-F346 AromaticContact CD2-CE2 3.75Å; Y320-F346 HydrophobicContact CD2-CE2 3.75Å; Y320-F346 AromaticContact CD2-CZ 3.91Å; Y320-F346 HydrophobicContact CD2-CZ 3.91Å; A323-F346 HydrophobicContact CB-CD1 4.23Å; A323-F346 HydrophobicContact CB-CE1 3.64Å; C333-F346 HydrophobicContact CB-CE1 4.1Å; C333-F346 HydrophobicContact CB-CZ 4.06Å; V344-F346 HydrophobicContact CB-CE2 4.46Å; V344-F346 HydrophobicContact CG1-CD2 4.46Å; V344-F346 HydrophobicContact CG1-CE1 4.37Å; V344-F346 HydrophobicContact CG1-CE2 3.72Å; V344-F346 HydrophobicContact CG1-CZ 3.66Å
347	M	97.9	Very high	95.2	Very high	38 Å²	38	53.3 Å²	53.3	19%	0.187	28%	0.275	C	S	.	.			trans	-82.6	-11.6	-173.3	-62	-50.5	-50.1	0	0	115.4	L315 D316 R318 V345 M349 V390 S394 L397	L315-M347 HydrophobicContact CD1-CG 4.27Å; L315-M347 HydrophobicContact CD1-SD 4.16Å; L315-M347 HydrophobicContact CD2-CG 3.49Å; L315-M347 VanDerWaalsContact CD2-CG 3.49Å; L315-M347 HydrophobicContact CD2-SD 4.42Å; L315-M347 HydrophobicContact CG-CG 3.85Å; L315-M347 HydrophobicContact CG-SD 4.17Å; D316-M347 PolarHBondContact O-N 2.9Å; R318-M347 PolarHBondContact O-N 2.8Å; V345-M347 HydrophobicContact CG1-SD 3.96Å; M347-M349 VanDerWaalsContact C-N 3.31Å; M347-M349 HydrophobicContact CB-CG 4.2Å; M347-M349 HydrophobicContact CB-SD 4.49Å; M347-M349 PolarHBondContact O-N 2.69Å; M347-V390 WeakPolarHBondContact O-CG1 3.43Å; M347-S394 WeakPolarHBondContact CB-OG 3.4Å; M347-L397 HydrophobicContact CE-CD2 4.45Å; M347-L397 HydrophobicContact SD-CD2 3.7Å
348	G	97.1	Very high	95.7	Very high	43 Å²	43	47.1 Å²	47.1	44%	0.443	25%	0.247	S	C	.	.			trans	72.7	15.6	177.5	0	0	0	0	0	115.5	A317 R318 A350	A317-G348 PolarHBondContact O-N 3.23Å; R318-G348 PolarHBondContact O-N 3.45Å; G348-A350 PolarHBondContact O-N 2.77Å
349	M	98.1	Very high	96	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.064	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-69.8	132.3	-176.7	-62.5	170.7	63.9	0	0	112.6	A317 M347 V390 L391 S394 R419 I423	A317-M349 HydrophobicContact CB-SD 3.93Å; A317-M349 WeakPolarHBondContact O-CA 3.44Å; A317-M349 WeakPolarHBondContact O-CB 3.35Å; A317-M349 PolarHBondContact O-N 3.49Å; M347-M349 VanDerWaalsContact C-N 3.31Å; M347-M349 HydrophobicContact CB-CG 4.2Å; M347-M349 HydrophobicContact CB-SD 4.49Å; M347-M349 PolarHBondContact O-N 2.69Å; M349-V390 HydrophobicContact CG-CG1 3.7Å; M349-L391 HydrophobicContact CE-CB 4.05Å; M349-L391 HydrophobicContact CE-CD1 3.64Å; M349-L391 HydrophobicContact CE-CG 4.32Å; M349-S394 PolarHBondContact SD-OG 3.37Å; M349-S394 VanDerWaalsContact SD-OG 3.41Å; M349-R419 HydrophobicContact CB-CG 4.44Å; M349-R419 HydrophobicContact CE-CB 4.08Å; M349-R419 HydrophobicContact CE-CG 3.94Å; M349-R419 PolarHBondContact O-NH1 3.46Å; M349-I423 HydrophobicContact CE-CG1 4.41Å; M349-I423 HydrophobicContact SD-CD1 3.75Å; M349-I423 HydrophobicContact SD-CG1 4.05Å
350	A	96.6	Very high	96	Very high	24 Å²	24	46.3 Å²	46.3	20%	0.198	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-49.5	150.9	175.8	0	0	0	0	0	113.9	G348 I355 R419	G348-A350 PolarHBondContact O-N 2.77Å; A350-I355 HydrophobicContact CB-CD1 3.81Å; A350-I355 HydrophobicContact CB-CG1 4.11Å; A350-R419 WeakPolarHBondContact O-CD 3.24Å; A350-R419 PolarHBondContact O-NH1 3.4Å
351	N	96.6	Very high	96.5	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-81.1	172.9	171.4	66.4	11.4	0	0	0	111.5	H353 S354 I355	N351-H353 PolarHBondContact O-N 3.01Å; N351-H353 PolarHBondContact OD1-N 2.81Å; N351-S354 PolarHBondContact O-N 2.72Å; N351-S354 WeakPolarHBondContact OD1-CB 3.49Å; N351-S354 PolarHBondContact OD1-N 3.32Å; N351-S354 PolarHBondContact OD1-OG 2.67Å; N351-I355 PolarHBondContact O-N 3.18Å
352	I	96.8	Very high	96.8	Very high	22 Å²	22	41.8 Å²	41.8	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-34.2	-177.9	59.3	168.8	0	0	0	113.2	I355 R356 D418 E471 C473 V475	I352-I355 PolarHBondContact O-N 3.24Å; I352-R356 WeakPolarHBondContact O-CB 3.49Å; I352-R356 PolarHBondContact O-N 3.03Å; I352-D418 HydrophobicContact CG2-CB 4.47Å; I352-E471 WeakPolarHBondContact CD1-OE1 3.41Å; I352-C473 HydrophobicContact CB-CB 3.81Å; I352-C473 HydrophobicContact CG2-CB 4.2Å; I352-C473 PolarHBondContact O-SG 3.08Å; I352-V475 HydrophobicContact CG2-CG2 4.11Å
353	H	95.9	Very high	96.7	Very high	72 Å²	72	42.3 Å²	42.3	33%	0.333	22%	0.223	S	C	.	.	H	α-helix	trans	-70.5	-39.3	179.5	-46.4	-48.5	0	0	0	112	N351 R356 R357 N470	N351-H353 PolarHBondContact O-N 3.01Å; N351-H353 PolarHBondContact OD1-N 2.81Å; H353-R356 PolarHBondContact O-N 3.19Å; H353-R357 WeakPolarHBondContact O-CG 3.27Å; H353-R357 PolarHBondContact O-N 3.42Å; H353-N470 PolarHBondContact CE1-O 2.91Å; H353-N470 PolarHBondContact ND1-O 3.25Å
354	S	97.4	Very high	96.5	Very high	32 Å²	32	43.1 Å²	43.1	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-71.9	-35.6	175	-71.1	0	0	0	0	112.6	N351 R357 S358	N351-S354 PolarHBondContact O-N 2.72Å; N351-S354 WeakPolarHBondContact OD1-CB 3.49Å; N351-S354 PolarHBondContact OD1-N 3.32Å; N351-S354 PolarHBondContact OD1-OG 2.67Å; S354-R357 PolarHBondContact O-N 2.75Å; S354-R357 PolarHBondContact OG-NH2 3.1Å; S354-S358 WeakPolarHBondContact O-CB 3.5Å; S354-S358 PolarHBondContact O-N 2.83Å
355	I	98.1	Very high	96.2	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.046	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-41.2	170.2	-62.9	-56.7	0	0	0	111.3	A350 N351 I352 S358 F359 W384 H387 P474	A350-I355 HydrophobicContact CB-CD1 3.81Å; A350-I355 HydrophobicContact CB-CG1 4.11Å; N351-I355 PolarHBondContact O-N 3.18Å; I352-I355 PolarHBondContact O-N 3.24Å; I355-S358 PolarHBondContact O-N 3.43Å; I355-F359 WeakPolarHBondContact O-CB 3.37Å; I355-F359 PolarHBondContact O-N 3.45Å; I355-W384 HydrophobicContact CG2-CZ3 4.12Å; I355-H387 HydrophobicContact CD1-CB 3.8Å; I355-P474 HydrophobicContact CG2-CG 4.25Å
356	R	96.5	Very high	95.8	Very high	41 Å²	41	41.3 Å²	41.3	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-58.6	-49.5	172.4	176.6	171.2	65.9	-118.8	10.4	111.6	I352 H353 S358 F359 Q360 L469 N470 R472	I352-R356 WeakPolarHBondContact O-CB 3.49Å; I352-R356 PolarHBondContact O-N 3.03Å; H353-R356 PolarHBondContact O-N 3.19Å; R356-S358 PolarHBondContact O-N 3.19Å; R356-F359 PolarHBondContact O-N 3.33Å; R356-Q360 HydrophobicContact CG-CG 4.29Å; R356-Q360 VanDerWaalsContact O-CG 3.31Å; R356-Q360 WeakPolarHBondContact O-CG 3.38Å; R356-Q360 PolarHBondContact O-N 3.22Å; R356-L469 PolarHBondContact NH1-O 3.44Å; R356-N470 PolarHBondContact NH1-O 3.14Å; R356-N470 PolarHBondContact NH2-OD1 2.79Å; R356-R472 WeakPolarHBondContact CD-O 3.4Å; R356-R472 PolarHBondContact NH1-O 2.66Å
357	R	96.9	Very high	95.1	Very high	132 Å²	132	40.3 Å²	40.3	50%	0.498	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-46.6	178	-74	-176.9	-67.2	-161	3.7	111.6	H353 S354 F359 Q360 S361	H353-R357 WeakPolarHBondContact O-CG 3.27Å; H353-R357 PolarHBondContact O-N 3.42Å; S354-R357 PolarHBondContact O-N 2.75Å; S354-R357 PolarHBondContact OG-NH2 3.1Å; R357-F359 VanDerWaalsContact C-N 3.34Å; R357-F359 PolarHBondContact O-N 2.87Å; R357-Q360 PolarHBondContact O-N 2.85Å; R357-S361 PolarHBondContact O-N 3.5Å; R357-S361 PolarHBondContact O-OG 2.76Å
358	S	98.3	Very high	94.1	Very high	8 Å²	8	43.6 Å²	43.6	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-55.7	-45.9	174.9	175.9	0	0	0	0	112.5	S354 I355 R356 S361 L362 T382 W384 H387	S354-S358 WeakPolarHBondContact O-CB 3.5Å; S354-S358 PolarHBondContact O-N 2.83Å; I355-S358 PolarHBondContact O-N 3.43Å; R356-S358 PolarHBondContact O-N 3.19Å; S358-S361 PolarHBondContact O-N 2.79Å; S358-L362 PolarHBondContact O-N 3.24Å; S358-T382 WeakPolarHBondContact CA-O 3.31Å; S358-T382 VanDerWaalsContact CB-O 3.28Å; S358-T382 WeakPolarHBondContact CB-O 3.43Å; S358-T382 PolarHBondContact OG-O 3.06Å; S358-W384 WeakPolarHBondContact OG-CA 3.47Å; S358-W384 PolarHBondContact OG-N 2.94Å; S358-H387 PolarHBondContact OG-CD2 3.17Å
359	F	96.9	Very high	92.4	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-70.2	-33.8	178.7	-167.8	-112.2	0	0	0	113.2	K92 C94 I355 R356 R357 L362 R363 W384 P474 L477 Y576	K92-F359 WeakPolarHBondContact O-CE1 3.22Å; C94-F359 HydrophobicContact CB-CE1 4.33Å; C94-F359 HydrophobicContact CB-CE2 3.94Å; C94-F359 HydrophobicContact CB-CZ 3.58Å; I355-F359 WeakPolarHBondContact O-CB 3.37Å; I355-F359 PolarHBondContact O-N 3.45Å; R356-F359 PolarHBondContact O-N 3.33Å; R357-F359 VanDerWaalsContact C-N 3.34Å; R357-F359 PolarHBondContact O-N 2.87Å; F359-L362 HydrophobicContact CD2-CD2 4.32Å; F359-L362 PolarHBondContact O-N 3.34Å; F359-R363 WeakPolarHBondContact O-CB 3.45Å; F359-R363 PolarHBondContact O-N 2.86Å; F359-W384 HydrophobicContact CB-CE3 4.24Å; F359-W384 HydrophobicContact CB-CZ3 3.88Å; F359-W384 HydrophobicContact CD2-CD2 4.5Å; F359-W384 HydrophobicContact CD2-CE3 4.04Å; F359-W384 AromaticContact CD2-CH2 3.73Å; F359-W384 HydrophobicContact CD2-CH2 3.73Å; F359-W384 HydrophobicContact CD2-CZ2 4.21Å; F359-W384 AromaticContact CD2-CZ3 3.64Å; F359-W384 HydrophobicContact CD2-CZ3 3.64Å; F359-W384 HydrophobicContact CE2-CH2 4.28Å; F359-W384 HydrophobicContact CE2-CZ2 4.48Å; F359-W384 HydrophobicContact CG-CZ3 4.17Å; F359-P474 HydrophobicContact CB-CG 3.85Å; F359-P474 HydrophobicContact CD1-CB 4.29Å; F359-P474 HydrophobicContact CD1-CG 3.8Å; F359-P474 HydrophobicContact CD2-CG 4.15Å; F359-P474 HydrophobicContact CE1-CB 4.31Å; F359-P474 HydrophobicContact CE1-CG 4.32Å; F359-P474 HydrophobicContact CG-CB 4.43Å; F359-P474 HydrophobicContact CG-CG 3.69Å; F359-P474 HydrophobicContact CZ-CB 4.49Å; F359-L477 HydrophobicContact CE1-CD2 4.45Å; F359-L477 HydrophobicContact CE2-CD2 3.9Å; F359-L477 HydrophobicContact CZ-CD2 3.56Å; F359-Y576 HydrophobicContact CE2-CD1 4.28Å; F359-Y576 AromaticContact CE2-CE1 3.78Å; F359-Y576 HydrophobicContact CE2-CE1 3.78Å; F359-Y576 HydrophobicContact CZ-CE1 4.35Å
360	Q	95.1	Very high	90.8	Very high	83 Å²	83	52.8 Å²	52.8	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-40.9	172.4	-73.5	170	-32	0	0	111.6	R356 R357 R363 L364	R356-Q360 HydrophobicContact CG-CG 4.29Å; R356-Q360 VanDerWaalsContact O-CG 3.31Å; R356-Q360 WeakPolarHBondContact O-CG 3.38Å; R356-Q360 PolarHBondContact O-N 3.22Å; R357-Q360 PolarHBondContact O-N 2.85Å; Q360-R363 PolarHBondContact O-N 3.37Å; Q360-L364 PolarHBondContact O-N 3.14Å
361	S	95.9	Very high	89.6	Confident	59 Å²	59	55.7 Å²	55.7	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-40.7	171.4	-59.8	0	0	0	0	112.3	R357 S358 L364 L365	R357-S361 PolarHBondContact O-N 3.5Å; R357-S361 PolarHBondContact O-OG 2.76Å; S358-S361 PolarHBondContact O-N 2.79Å; S361-L364 PolarHBondContact O-N 2.85Å; S361-L365 PolarHBondContact O-N 3.02Å
362	L	95.3	Very high	88.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-45.1	174.5	-177.6	66.1	0	0	0	111.9	S358 F359 L364 L365 C366 L379 T382 W384 L571 Y576	S358-L362 PolarHBondContact O-N 3.24Å; F359-L362 HydrophobicContact CD2-CD2 4.32Å; F359-L362 PolarHBondContact O-N 3.34Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.18Å; L362-L365 WeakPolarHBondContact O-CB 3.47Å; L362-L365 PolarHBondContact O-N 2.89Å; L362-C366 PolarHBondContact O-N 3.14Å; L362-C366 PolarHBondContact O-SG 3.34Å; L362-C366 VanDerWaalsContact O-SG 3.37Å; L362-L379 HydrophobicContact CD1-CD1 3.75Å; L362-T382 HydrophobicContact CB-CG2 4.2Å; L362-T382 HydrophobicContact CD1-CG2 4.17Å; L362-W384 HydrophobicContact CD2-CB 4.13Å; L362-W384 HydrophobicContact CD2-CD2 4.03Å; L362-W384 HydrophobicContact CD2-CG 3.71Å; L362-L571 HydrophobicContact CD1-CD1 3.73Å; L362-L571 HydrophobicContact CD2-CD1 4.08Å; L362-L571 HydrophobicContact CG-CD1 4.42Å; L362-Y576 HydrophobicContact CD2-CD2 4.21Å; L362-Y576 HydrophobicContact CD2-CE2 4.38Å; L362-Y576 HydrophobicContact CD2-CG 4.4Å
363	R	92.8	Very high	87.6	Confident	20 Å²	20	60 Å²	60	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-47.8	175.9	-170.6	-176.3	-65.2	156.9	-10.6	111.1	E77 C91 C94 V96 F359 Q360 L365 C366 T367	E77-R363 IonicContact OE1-CZ 3.07Å; E77-R363 IonicContact OE1-NH1 2.88Å; E77-R363 PolarHBondContact OE1-NH1 2.84Å; E77-R363 IonicContact OE1-NH2 3.57Å; E77-R363 IonicContact OE2-CZ 2.69Å; E77-R363 VanDerWaalsContact OE2-CZ 3.32Å; E77-R363 IonicContact OE2-NH1 3.58Å; E77-R363 PolarHBondContact OE2-NH1 3.3Å; E77-R363 VanDerWaalsContact OE2-NH1 3.1Å; E77-R363 IonicContact OE2-NH2 2.72Å; E77-R363 PolarHBondContact OE2-NH2 2.98Å; C91-R363 PolarHBondContact O-NE 3.23Å; C91-R363 PolarHBondContact O-NH2 2.8Å; C94-R363 WeakPolarHBondContact SG-CA 3.11Å; V96-R363 HydrophobicContact CG2-CG 4.01Å; F359-R363 WeakPolarHBondContact O-CB 3.45Å; F359-R363 PolarHBondContact O-N 2.86Å; Q360-R363 PolarHBondContact O-N 3.37Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.04Å; R363-C366 PolarHBondContact O-N 3.07Å; R363-T367 WeakPolarHBondContact O-CG2 3.42Å; R363-T367 PolarHBondContact O-N 3.33Å
364	L	91.2	Very high	87.1	Confident	106 Å²	106	61.1 Å²	61.1	56%	0.555	34%	0.338	S	S	*	.	H	α-helix	trans	-57.8	-43.2	177.4	178.7	58.4	0	0	0	111.8	Q360 S361 L362 T367 Q368	Q360-L364 PolarHBondContact O-N 3.14Å; S361-L364 PolarHBondContact O-N 2.85Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.18Å; L364-T367 PolarHBondContact O-N 3.38Å; L364-T367 PolarHBondContact O-OG1 2.88Å; L364-Q368 PolarHBondContact O-NE2 3.5Å
365	L	90.9	Very high	86.7	Confident	15 Å²	15	62.2 Å²	62.2	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-47.8	175.1	176.9	60.5	0	0	0	112.4	S361 L362 R363 T367 Q368 W375 A378 L379 T382	S361-L365 PolarHBondContact O-N 3.02Å; L362-L365 WeakPolarHBondContact O-CB 3.47Å; L362-L365 PolarHBondContact O-N 2.89Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.04Å; L365-T367 PolarHBondContact O-N 2.9Å; L365-T367 VanDerWaalsContact O-N 3.08Å; L365-Q368 PolarHBondContact O-N 3.42Å; L365-Q368 VanDerWaalsContact O-N 3.15Å; L365-W375 HydrophobicContact CD1-CE3 3.72Å; L365-W375 HydrophobicContact CD1-CH2 4.47Å; L365-W375 HydrophobicContact CD1-CZ3 3.56Å; L365-W375 HydrophobicContact CD2-CE3 4.43Å; L365-W375 HydrophobicContact CD2-CH2 4.27Å; L365-W375 HydrophobicContact CD2-CZ3 4.11Å; L365-W375 HydrophobicContact CG-CE3 4.13Å; L365-W375 HydrophobicContact CG-CH2 4Å; L365-W375 HydrophobicContact CG-CZ3 3.55Å; L365-A378 HydrophobicContact CD1-CB 3.71Å; L365-A378 HydrophobicContact CD2-CB 4.31Å; L365-L379 VanDerWaalsContact CD2-CA 3.48Å; L365-L379 HydrophobicContact CD2-CB 3.93Å; L365-L379 HydrophobicContact CD2-CD1 4.13Å; L365-T382 HydrophobicContact CB-CG2 4.46Å; L365-T382 HydrophobicContact CD2-CG2 3.95Å
366	C	88.4	Confident	86.3	Confident	16 Å²	16	68 Å²	68	11%	0.108	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-13.4	179.5	-68	0	0	0	0	114.6	L362 R363 Y576 L577	L362-C366 PolarHBondContact O-N 3.14Å; L362-C366 PolarHBondContact O-SG 3.34Å; L362-C366 VanDerWaalsContact O-SG 3.37Å; R363-C366 PolarHBondContact O-N 3.07Å; C366-Y576 WeakPolarHBondContact CB-O 3.34Å; C366-Y576 PolarHBondContact SG-O 2.67Å; C366-L577 HydrophobicContact CB-CD2 4.03Å
367	T	83.7	Confident	86.1	Confident	38 Å²	38	69.7 Å²	69.7	23%	0.233	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-5	177.1	64.9	0	0	0	0	115.4	V96 R98 R363 L364 L365	V96-T367 HydrophobicContact CB-CG2 3.55Å; V96-T367 HydrophobicContact CG1-CG2 4.28Å; V96-T367 HydrophobicContact CG2-CG2 3.42Å; V96-T367 VanDerWaalsContact CG2-CG2 3.42Å; R98-T367 PolarHBondContact NH2-O 3.13Å; R98-T367 VanDerWaalsContact NH2-O 3.11Å; R363-T367 WeakPolarHBondContact O-CG2 3.42Å; R363-T367 PolarHBondContact O-N 3.33Å; L364-T367 PolarHBondContact O-N 3.38Å; L364-T367 PolarHBondContact O-OG1 2.88Å; L365-T367 PolarHBondContact O-N 2.9Å; L365-T367 VanDerWaalsContact O-N 3.08Å
368	Q	78.8	Confident	85.8	Confident	107 Å²	107	65 Å²	65	50%	0.5	37%	0.374	S	S	.	.	S	Bend	trans	-96.8	149.6	178.9	-67.3	173	43.6	0	0	109.8	L364 L365 P370	L364-Q368 PolarHBondContact O-NE2 3.5Å; L365-Q368 PolarHBondContact O-N 3.42Å; L365-Q368 VanDerWaalsContact O-N 3.15Å; Q368-P370 WeakPolarHBondContact O-CD 3.3Å
369	M	60.1	Low	85.6	Confident	175 Å²	175	65.4 Å²	65.4	86%	0.862	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-64.2	123.9	164.7	-70.5	-60.4	-63.3	0	0	107.7	D371	M369-D371 PolarHBondContact O-N 3.14Å
370	P	63.7	Low	85.5	Confident	74 Å²	74	70.9 Å²	70.9	48%	0.481	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-62.6	120.5	178.5	-23.8	35	0	0	0	110.6	Q368 P372 W375	Q368-P370 WeakPolarHBondContact O-CD 3.3Å; P370-P372 VanDerWaalsContact O-CD 3.27Å; P370-P372 WeakPolarHBondContact O-CD 3.31Å; P370-W375 HydrophobicContact CB-CD2 4.24Å; P370-W375 HydrophobicContact CB-CE3 3.7Å; P370-W375 HydrophobicContact CB-CZ3 4.25Å; P370-W375 HydrophobicContact CG-CE3 3.91Å; P370-W375 HydrophobicContact CG-CZ3 3.94Å
371	D	72	Confident	85.5	Confident	85 Å²	85	70.9 Å²	70.9	46%	0.455	41%	0.411	S	S	.	.			trans	-69.8	113.1	152.7	171.9	-0.6	0	0	0	107	M369 G373 N374 W375	M369-D371 PolarHBondContact O-N 3.14Å; D371-G373 PolarHBondContact O-N 3.44Å; D371-G373 PolarHBondContact OD1-N 2.85Å; D371-N374 HydrophobicContact CB-CB 4.35Å; D371-N374 PolarHBondContact O-N 3.33Å; D371-N374 VanDerWaalsContact O-N 3.15Å; D371-N374 PolarHBondContact OD2-ND2 3.36Å; D371-W375 PolarHBondContact O-N 2.9Å
372	P	72.6	Confident	85.5	Confident	119 Å²	119	68.3 Å²	68.3	77%	0.773	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.6	-175.1	-22.7	35.1	0	0	0	113.3	P370	P370-P372 VanDerWaalsContact O-CD 3.27Å; P370-P372 WeakPolarHBondContact O-CD 3.31Å
373	G	78.6	Confident	85.7	Confident	63 Å²	63	72.1 Å²	72.1	65%	0.649	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-32.6	178.9	0	0	0	0	0	113.3	D371	D371-G373 PolarHBondContact O-N 3.44Å; D371-G373 PolarHBondContact OD1-N 2.85Å
374	N	86.9	Confident	85.9	Confident	96 Å²	96	71.1 Å²	71.1	51%	0.513	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-11.3	-174.5	-76.5	-61.3	0	0	0	114.4	D371 L376 S377 A378	D371-N374 HydrophobicContact CB-CB 4.35Å; D371-N374 PolarHBondContact O-N 3.33Å; D371-N374 VanDerWaalsContact O-N 3.15Å; D371-N374 PolarHBondContact OD2-ND2 3.36Å; N374-L376 VanDerWaalsContact C-N 3.34Å; N374-L376 PolarHBondContact O-N 3.19Å; N374-S377 PolarHBondContact O-N 3.23Å; N374-A378 WeakPolarHBondContact O-CB 3.4Å; N374-A378 PolarHBondContact O-N 2.95Å
375	W	87.7	Confident	86.3	Confident	54 Å²	54	66.8 Å²	66.8	21%	0.205	38%	0.383	C	S	.	.	H	α-helix	trans	-51	-45.2	-176	174.5	-103.8	0	0	0	114.4	L365 P370 D371 A378 L379 L571 L577	L365-W375 HydrophobicContact CD1-CE3 3.72Å; L365-W375 HydrophobicContact CD1-CH2 4.47Å; L365-W375 HydrophobicContact CD1-CZ3 3.56Å; L365-W375 HydrophobicContact CD2-CE3 4.43Å; L365-W375 HydrophobicContact CD2-CH2 4.27Å; L365-W375 HydrophobicContact CD2-CZ3 4.11Å; L365-W375 HydrophobicContact CG-CE3 4.13Å; L365-W375 HydrophobicContact CG-CH2 4Å; L365-W375 HydrophobicContact CG-CZ3 3.55Å; P370-W375 HydrophobicContact CB-CD2 4.24Å; P370-W375 HydrophobicContact CB-CE3 3.7Å; P370-W375 HydrophobicContact CB-CZ3 4.25Å; P370-W375 HydrophobicContact CG-CE3 3.91Å; P370-W375 HydrophobicContact CG-CZ3 3.94Å; D371-W375 PolarHBondContact O-N 2.9Å; W375-A378 PolarHBondContact O-N 3.41Å; W375-L379 VanDerWaalsContact O-CB 3.31Å; W375-L379 WeakPolarHBondContact O-CB 3.47Å; W375-L379 PolarHBondContact O-N 3.02Å; W375-L571 HydrophobicContact CH2-CD2 4.23Å; W375-L571 HydrophobicContact CZ2-CD2 3.83Å; W375-L577 HydrophobicContact CH2-CD2 4.49Å
376	L	89.9	Confident	86.6	Confident	131 Å²	131	70.4 Å²	70.4	69%	0.686	40%	0.399	S	S	*	.	H	α-helix	trans	-67.6	-41.7	-178.3	-65.9	178.1	0	0	0	112.3	N374 L379 E380	N374-L376 VanDerWaalsContact C-N 3.34Å; N374-L376 PolarHBondContact O-N 3.19Å; L376-L379 PolarHBondContact O-N 2.91Å; L376-E380 WeakPolarHBondContact O-CB 3.4Å; L376-E380 PolarHBondContact O-N 2.94Å
377	S	91.9	Very high	87.1	Confident	77 Å²	77	71.3 Å²	71.3	54%	0.538	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-38.5	176.4	-54.5	0	0	0	0	111.8	N374 E380 S381	N374-S377 PolarHBondContact O-N 3.23Å; S377-E380 PolarHBondContact O-N 2.96Å; S377-S381 PolarHBondContact O-N 3.22Å
378	A	91.9	Very high	87.8	Confident	32 Å²	32	69.5 Å²	69.5	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-67.3	-41.2	174.1	0	0	0	0	0	111.7	L365 N374 W375 E380 S381 T382	L365-A378 HydrophobicContact CD1-CB 3.71Å; L365-A378 HydrophobicContact CD2-CB 4.31Å; N374-A378 WeakPolarHBondContact O-CB 3.4Å; N374-A378 PolarHBondContact O-N 2.95Å; W375-A378 PolarHBondContact O-N 3.41Å; A378-E380 VanDerWaalsContact C-N 3.32Å; A378-E380 PolarHBondContact O-N 2.78Å; A378-S381 PolarHBondContact O-N 3.39Å; A378-S381 PolarHBondContact O-OG 3.46Å; A378-T382 WeakPolarHBondContact O-CG2 3.17Å; A378-T382 PolarHBondContact O-N 2.92Å
379	L	92.9	Very high	88.8	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-38.6	173.6	-178.2	58.5	0	0	0	111.4	L362 L365 W375 L376 S381 T382 L385 L571	L362-L379 HydrophobicContact CD1-CD1 3.75Å; L365-L379 VanDerWaalsContact CD2-CA 3.48Å; L365-L379 HydrophobicContact CD2-CB 3.93Å; L365-L379 HydrophobicContact CD2-CD1 4.13Å; W375-L379 VanDerWaalsContact O-CB 3.31Å; W375-L379 WeakPolarHBondContact O-CB 3.47Å; W375-L379 PolarHBondContact O-N 3.02Å; L376-L379 PolarHBondContact O-N 2.91Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 3.47Å; L379-T382 WeakPolarHBondContact O-CB 3.33Å; L379-T382 PolarHBondContact O-N 3.41Å; L379-T382 PolarHBondContact O-OG1 2.66Å; L379-L385 HydrophobicContact CD2-CD1 3.95Å; L379-L385 HydrophobicContact CG-CD1 4.28Å; L379-L571 HydrophobicContact CD1-CD1 4.32Å
380	E	94.6	Very high	90.6	Very high	122 Å²	122	57.4 Å²	57.4	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-67	-33	174.6	-153.2	-147.1	127.2	0	0	112.5	L376 S377 A378 T382 K383	L376-E380 WeakPolarHBondContact O-CB 3.4Å; L376-E380 PolarHBondContact O-N 2.94Å; S377-E380 PolarHBondContact O-N 2.96Å; A378-E380 VanDerWaalsContact C-N 3.32Å; A378-E380 PolarHBondContact O-N 2.78Å; E380-T382 VanDerWaalsContact C-N 3.28Å; E380-T382 PolarHBondContact O-N 3.17Å; E380-K383 VanDerWaalsContact O-CD 3.23Å; E380-K383 WeakPolarHBondContact O-CD 3.42Å; E380-K383 VanDerWaalsContact O-CE 3.26Å; E380-K383 WeakPolarHBondContact O-CE 3.44Å; E380-K383 PolarHBondContact O-N 3.49Å; E380-K383 VanDerWaalsContact O-N 3.13Å; E380-K383 PolarHBondContact O-NZ 2.92Å; E380-K383 IonicContact OE1-NZ 2.68Å; E380-K383 PolarHBondContact OE1-NZ 3.08Å
381	S	95.4	Very high	92.3	Very high	83 Å²	83	53.9 Å²	53.9	58%	0.58	31%	0.311	S	S	*	.	H	α-helix	trans	-68.1	-26.7	178.1	82.1	0	0	0	0	112.7	S377 A378 L379 K383	S377-S381 PolarHBondContact O-N 3.22Å; A378-S381 PolarHBondContact O-N 3.39Å; A378-S381 PolarHBondContact O-OG 3.46Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 3.47Å; S381-K383 PolarHBondContact O-N 3.31Å
382	T	96.9	Very high	93.6	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.1	171.2	76.5	0	0	0	0	113.6	S358 L362 L365 A378 L379 E380 W384	S358-T382 WeakPolarHBondContact CA-O 3.31Å; S358-T382 VanDerWaalsContact CB-O 3.28Å; S358-T382 WeakPolarHBondContact CB-O 3.43Å; S358-T382 PolarHBondContact OG-O 3.06Å; L362-T382 HydrophobicContact CB-CG2 4.2Å; L362-T382 HydrophobicContact CD1-CG2 4.17Å; L365-T382 HydrophobicContact CB-CG2 4.46Å; L365-T382 HydrophobicContact CD2-CG2 3.95Å; A378-T382 WeakPolarHBondContact O-CG2 3.17Å; A378-T382 PolarHBondContact O-N 2.92Å; L379-T382 WeakPolarHBondContact O-CB 3.33Å; L379-T382 PolarHBondContact O-N 3.41Å; L379-T382 PolarHBondContact O-OG1 2.66Å; E380-T382 VanDerWaalsContact C-N 3.28Å; E380-T382 PolarHBondContact O-N 3.17Å; T382-W384 PolarHBondContact O-N 3.46Å; T382-W384 PolarHBondContact OG1-N 2.86Å; T382-W384 VanDerWaalsContact OG1-N 3.11Å
383	K	98.1	Very high	94.8	Very high	80 Å²	80	48 Å²	48	35%	0.348	27%	0.269	S	S	.	.			trans	54.8	10.4	-168.9	-54.7	-63.6	166.1	-142.5	0	116	E380 S381 H386 H387	E380-K383 VanDerWaalsContact O-CD 3.23Å; E380-K383 WeakPolarHBondContact O-CD 3.42Å; E380-K383 VanDerWaalsContact O-CE 3.26Å; E380-K383 WeakPolarHBondContact O-CE 3.44Å; E380-K383 PolarHBondContact O-N 3.49Å; E380-K383 VanDerWaalsContact O-N 3.13Å; E380-K383 PolarHBondContact O-NZ 2.92Å; E380-K383 IonicContact OE1-NZ 2.68Å; E380-K383 PolarHBondContact OE1-NZ 3.08Å; S381-K383 PolarHBondContact O-N 3.31Å; K383-H386 HydrophobicContact CB-CB 4.35Å; K383-H386 HydrophobicContact CD-CB 4.47Å; K383-H386 WeakPolarHBondContact O-CA 3.39Å; K383-H386 WeakPolarHBondContact O-CB 3.46Å; K383-H386 PolarHBondContact O-N 3.32Å; K383-H386 VanDerWaalsContact O-N 3.09Å; K383-H387 PolarHBondContact O-CD2 2.72Å; K383-H387 PolarHBondContact O-N 2.91Å
384	W	98.3	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-56.8	-178.5	-176.4	-105.3	0	0	0	112.4	I355 S358 F359 L362 T382 H386 H387 L388 P474 Q478 D481 Y576	I355-W384 HydrophobicContact CG2-CZ3 4.12Å; S358-W384 WeakPolarHBondContact OG-CA 3.47Å; S358-W384 PolarHBondContact OG-N 2.94Å; F359-W384 HydrophobicContact CB-CE3 4.24Å; F359-W384 HydrophobicContact CB-CZ3 3.88Å; F359-W384 HydrophobicContact CD2-CD2 4.5Å; F359-W384 HydrophobicContact CD2-CE3 4.04Å; F359-W384 AromaticContact CD2-CH2 3.73Å; F359-W384 HydrophobicContact CD2-CH2 3.73Å; F359-W384 HydrophobicContact CD2-CZ2 4.21Å; F359-W384 AromaticContact CD2-CZ3 3.64Å; F359-W384 HydrophobicContact CD2-CZ3 3.64Å; F359-W384 HydrophobicContact CE2-CH2 4.28Å; F359-W384 HydrophobicContact CE2-CZ2 4.48Å; F359-W384 HydrophobicContact CG-CZ3 4.17Å; L362-W384 HydrophobicContact CD2-CB 4.13Å; L362-W384 HydrophobicContact CD2-CD2 4.03Å; L362-W384 HydrophobicContact CD2-CG 3.71Å; T382-W384 PolarHBondContact O-N 3.46Å; T382-W384 PolarHBondContact OG1-N 2.86Å; T382-W384 VanDerWaalsContact OG1-N 3.11Å; W384-H386 PolarHBondContact O-N 3.19Å; W384-H387 PolarHBondContact O-N 3.07Å; W384-L388 HydrophobicContact CZ2-CD2 4.41Å; W384-L388 PolarHBondContact O-N 2.94Å; W384-P474 HydrophobicContact CH2-CG 4.3Å; W384-P474 HydrophobicContact CZ3-CG 4.36Å; W384-Q478 HydrophobicContact CH2-CB 3.72Å; W384-Q478 HydrophobicContact CH2-CG 3.93Å; W384-Q478 HydrophobicContact CZ2-CB 4.11Å; W384-Q478 HydrophobicContact CZ2-CG 4.18Å; W384-Q478 HydrophobicContact CZ3-CG 4.47Å; W384-D481 PolarHBondContact NE1-OD2 3.01Å; W384-Y576 WeakPolarHBondContact CZ2-OH 3.45Å; W384-Y576 AromaticContact NE1-CE2 3.83Å
385	L	98.4	Very high	96.4	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-24.8	177.4	-59.1	-176.3	0	0	0	112.9	L379 L388 S389 V566 L569	L379-L385 HydrophobicContact CD2-CD1 3.95Å; L379-L385 HydrophobicContact CG-CD1 4.28Å; L385-L388 HydrophobicContact CD2-CD1 3.72Å; L385-S389 WeakPolarHBondContact O-CB 3.37Å; L385-S389 PolarHBondContact O-N 2.88Å; L385-V566 HydrophobicContact CB-CG1 3.96Å; L385-L569 HydrophobicContact CD2-CB 4.3Å; L385-L569 WeakPolarHBondContact O-CD1 3.46Å
386	H	98.4	Very high	96.9	Very high	91 Å²	91	39.1 Å²	39.1	42%	0.421	21%	0.211	S	C	.	.	H	α-helix	trans	-69.9	-42.7	172	174.9	87.8	0	0	0	111.2	K383 W384 S389 V390 V566	K383-H386 HydrophobicContact CB-CB 4.35Å; K383-H386 HydrophobicContact CD-CB 4.47Å; K383-H386 WeakPolarHBondContact O-CA 3.39Å; K383-H386 WeakPolarHBondContact O-CB 3.46Å; K383-H386 PolarHBondContact O-N 3.32Å; K383-H386 VanDerWaalsContact O-N 3.09Å; W384-H386 PolarHBondContact O-N 3.19Å; H386-S389 WeakPolarHBondContact O-CB 3.37Å; H386-S389 PolarHBondContact O-N 2.92Å; H386-V390 WeakPolarHBondContact O-CG2 3.43Å; H386-V390 PolarHBondContact O-N 2.95Å; H386-V566 HydrophobicContact CB-CG2 4.44Å
387	H	98.7	Very high	97.3	Very high	34 Å²	34	35.7 Å²	35.7	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-36.6	174.6	-62.2	-42	0	0	0	112.7	I355 S358 K383 W384 V390 L391	I355-H387 HydrophobicContact CD1-CB 3.8Å; S358-H387 PolarHBondContact OG-CD2 3.17Å; K383-H387 PolarHBondContact O-CD2 2.72Å; K383-H387 PolarHBondContact O-N 2.91Å; W384-H387 PolarHBondContact O-N 3.07Å; H387-V390 PolarHBondContact O-N 3.31Å; H387-L391 WeakPolarHBondContact O-CB 3.46Å; H387-L391 PolarHBondContact O-N 3.47Å
388	L	98.8	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-44.5	169.1	-55.3	-179.2	0	0	0	111.5	W384 L385 V390 L391 L392 Q478 D481 Q485 L569	W384-L388 HydrophobicContact CZ2-CD2 4.41Å; W384-L388 PolarHBondContact O-N 2.94Å; L385-L388 HydrophobicContact CD2-CD1 3.72Å; L388-V390 PolarHBondContact O-N 3.42Å; L388-L391 PolarHBondContact O-N 2.71Å; L388-L392 WeakPolarHBondContact O-CB 3.34Å; L388-L392 WeakPolarHBondContact O-CG 3.43Å; L388-L392 PolarHBondContact O-N 3.41Å; L388-Q478 HydrophobicContact CD2-CG 3.8Å; L388-D481 HydrophobicContact CD1-CB 4.41Å; L388-D481 VanDerWaalsContact CD1-OD2 3.26Å; L388-D481 WeakPolarHBondContact CD1-OD2 2.9Å; L388-D481 HydrophobicContact CD2-CB 4.1Å; L388-Q485 HydrophobicContact CD1-CG 4.47Å; L388-L569 HydrophobicContact CB-CD1 3.83Å
389	S	98.8	Very high	98	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-43.4	177.6	176.5	0	0	0	0	112.5	L385 H386 K393 C564	L385-S389 WeakPolarHBondContact O-CB 3.37Å; L385-S389 PolarHBondContact O-N 2.88Å; H386-S389 WeakPolarHBondContact O-CB 3.37Å; H386-S389 PolarHBondContact O-N 2.92Å; S389-K393 WeakPolarHBondContact O-CB 3.38Å; S389-K393 WeakPolarHBondContact O-CD 3.43Å; S389-K393 WeakPolarHBondContact O-CG 3.47Å; S389-K393 PolarHBondContact O-N 3.3Å; S389-K393 VanDerWaalsContact O-N 3.08Å; S389-K393 PolarHBondContact OG-NZ 2.83Å; S389-C564 WeakPolarHBondContact CB-O 3.47Å; S389-C564 PolarHBondContact OG-O 2.89Å
390	V	98.6	Very high	98.2	Very high	27 Å²	27	32.8 Å²	32.8	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-69.8	-40.8	177.1	-179.4	0	0	0	0	111.4	M347 M349 H386 H387 L388 K393 S394	M347-V390 WeakPolarHBondContact O-CG1 3.43Å; M349-V390 HydrophobicContact CG-CG1 3.7Å; H386-V390 WeakPolarHBondContact O-CG2 3.43Å; H386-V390 PolarHBondContact O-N 2.95Å; H387-V390 PolarHBondContact O-N 3.31Å; L388-V390 PolarHBondContact O-N 3.42Å; V390-K393 PolarHBondContact O-N 3.17Å; V390-S394 WeakPolarHBondContact O-CB 3.37Å; V390-S394 PolarHBondContact O-N 3.27Å; V390-S394 PolarHBondContact O-OG 3.35Å
391	L	98.8	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-46.3	177.1	172	52.8	0	0	0	111.8	M349 H387 L388 K393 S394 A395 Q422 I423 L426 Q478	M349-L391 HydrophobicContact CE-CB 4.05Å; M349-L391 HydrophobicContact CE-CD1 3.64Å; M349-L391 HydrophobicContact CE-CG 4.32Å; H387-L391 WeakPolarHBondContact O-CB 3.46Å; H387-L391 PolarHBondContact O-N 3.47Å; L388-L391 PolarHBondContact O-N 2.71Å; L391-K393 VanDerWaalsContact C-N 3.34Å; L391-K393 PolarHBondContact O-N 3.18Å; L391-S394 WeakPolarHBondContact O-CB 3.46Å; L391-S394 PolarHBondContact O-N 2.97Å; L391-A395 PolarHBondContact O-N 2.68Å; L391-Q422 HydrophobicContact CD1-CB 3.54Å; L391-Q422 HydrophobicContact CD2-CB 3.95Å; L391-Q422 HydrophobicContact CD2-CG 4.29Å; L391-Q422 HydrophobicContact CG-CB 4.42Å; L391-I423 HydrophobicContact CD1-CG1 4.05Å; L391-L426 HydrophobicContact CD1-CD1 3.86Å; L391-L426 HydrophobicContact CD2-CD1 4.18Å; L391-L426 HydrophobicContact CG-CD1 3.65Å; L391-Q478 HydrophobicContact CD2-CG 4.43Å
392	L	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-40	175.2	-73.2	166.5	0	0	0	112	L388 A395 L396 L426 C482 Q485 L486 C564 L569	L388-L392 WeakPolarHBondContact O-CB 3.34Å; L388-L392 WeakPolarHBondContact O-CG 3.43Å; L388-L392 PolarHBondContact O-N 3.41Å; L392-A395 PolarHBondContact O-N 2.74Å; L392-L396 VanDerWaalsContact O-CB 3.3Å; L392-L396 WeakPolarHBondContact O-CB 3.37Å; L392-L396 PolarHBondContact O-N 2.93Å; L392-L426 HydrophobicContact CD2-CD1 4.29Å; L392-C482 HydrophobicContact CD2-CB 4.02Å; L392-C482 HydrophobicContact CG-CB 4.3Å; L392-Q485 HydrophobicContact CD1-CB 4.4Å; L392-L486 HydrophobicContact CD2-CD2 3.96Å; L392-L486 HydrophobicContact CD2-CG 4.26Å; L392-C564 HydrophobicContact CB-CB 3.91Å; L392-L569 HydrophobicContact CD1-CD1 4.17Å; L392-L569 HydrophobicContact CD1-CD2 3.74Å
393	K	98.8	Very high	98.5	Very high	82 Å²	82	25 Å²	25	36%	0.357	12%	0.12	S	C	.	.	H	α-helix	trans	-63.7	-39.4	173.5	-75	164.6	-177.9	160.5	0	112.9	S389 V390 L391 L396 L397 C564	S389-K393 WeakPolarHBondContact O-CB 3.38Å; S389-K393 WeakPolarHBondContact O-CD 3.43Å; S389-K393 WeakPolarHBondContact O-CG 3.47Å; S389-K393 PolarHBondContact O-N 3.3Å; S389-K393 VanDerWaalsContact O-N 3.08Å; S389-K393 PolarHBondContact OG-NZ 2.83Å; V390-K393 PolarHBondContact O-N 3.17Å; L391-K393 VanDerWaalsContact C-N 3.34Å; L391-K393 PolarHBondContact O-N 3.18Å; K393-L396 PolarHBondContact O-N 2.91Å; K393-L397 PolarHBondContact O-N 3.24Å; K393-C564 HydrophobicContact CD-CB 4.5Å; K393-C564 HydrophobicContact CG-CB 3.62Å
394	S	98.8	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-42.6	177.7	-54.9	0	0	0	0	111.3	M347 M349 V390 L391	M347-S394 WeakPolarHBondContact CB-OG 3.4Å; M349-S394 PolarHBondContact SD-OG 3.37Å; M349-S394 VanDerWaalsContact SD-OG 3.41Å; V390-S394 WeakPolarHBondContact O-CB 3.37Å; V390-S394 PolarHBondContact O-N 3.27Å; V390-S394 PolarHBondContact O-OG 3.35Å; L391-S394 WeakPolarHBondContact O-CB 3.46Å; L391-S394 PolarHBondContact O-N 2.97Å
395	A	98.9	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-46.5	173.1	0	0	0	0	0	111.9	L391 L392 L397 V398 V399 L426 L430	L391-A395 PolarHBondContact O-N 2.68Å; L392-A395 PolarHBondContact O-N 2.74Å; A395-L397 VanDerWaalsContact C-N 3.29Å; A395-L397 PolarHBondContact O-N 2.81Å; A395-V398 WeakPolarHBondContact O-CA 3.37Å; A395-V398 WeakPolarHBondContact O-CB 3.22Å; A395-V398 PolarHBondContact O-N 2.78Å; A395-V399 WeakPolarHBondContact O-CG2 3.47Å; A395-V399 PolarHBondContact O-N 3.37Å; A395-L426 HydrophobicContact CB-CB 3.42Å; A395-L426 VanDerWaalsContact CB-CB 3.42Å; A395-L426 HydrophobicContact CB-CD1 4.13Å; A395-L426 HydrophobicContact CB-CG 4.43Å; A395-L430 HydrophobicContact CB-CD1 4.31Å
396	L	98.7	Very high	97.9	Very high	26 Å²	26	34.7 Å²	34.7	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-35.1	180	-176	56.8	0	0	0	112.6	L392 K393 V398 V399 H400 Y561	L392-L396 VanDerWaalsContact O-CB 3.3Å; L392-L396 WeakPolarHBondContact O-CB 3.37Å; L392-L396 PolarHBondContact O-N 2.93Å; K393-L396 PolarHBondContact O-N 2.91Å; L396-V398 VanDerWaalsContact C-N 3.32Å; L396-V398 PolarHBondContact O-N 3.41Å; L396-V399 HydrophobicContact CD1-CB 4.34Å; L396-V399 WeakPolarHBondContact O-CB 3.43Å; L396-V399 PolarHBondContact O-N 3.37Å; L396-V399 VanDerWaalsContact O-N 3.15Å; L396-H400 PolarHBondContact O-CD2 3.21Å; L396-H400 PolarHBondContact O-N 3.29Å; L396-Y561 HydrophobicContact CD1-CD1 3.85Å; L396-Y561 HydrophobicContact CD1-CE1 4.46Å
397	L	98.8	Very high	97.7	Very high	59 Å²	59	31.6 Å²	31.6	31%	0.309	15%	0.153	S	C	.	.	H	α-helix	trans	-62.6	-37.3	172.8	-178.1	60.1	0	0	0	112.5	L313 L315 V345 M347 K393 A395 A401	L313-L397 HydrophobicContact CD2-CG 4.39Å; L315-L397 HydrophobicContact CD1-CB 4.35Å; L315-L397 HydrophobicContact CD1-CD2 3.91Å; L315-L397 HydrophobicContact CD1-CG 4.22Å; V345-L397 HydrophobicContact CG1-CD2 3.97Å; M347-L397 HydrophobicContact CE-CD2 4.45Å; M347-L397 HydrophobicContact SD-CD2 3.7Å; K393-L397 PolarHBondContact O-N 3.24Å; A395-L397 VanDerWaalsContact C-N 3.29Å; A395-L397 PolarHBondContact O-N 2.81Å; L397-A401 WeakPolarHBondContact O-CB 3.48Å; L397-A401 PolarHBondContact O-N 3.46Å; L397-A401 VanDerWaalsContact O-N 3.12Å
398	V	98.8	Very high	97.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-38.9	172.2	-176.4	0	0	0	0	110.9	I232 L315 A395 L396 A401 V402 V409 V411 I423 A427	I232-V398 HydrophobicContact CD1-CG1 3.62Å; I232-V398 HydrophobicContact CG1-CG1 3.84Å; I232-V398 HydrophobicContact CG2-CG1 4.41Å; L315-V398 HydrophobicContact CD1-CG2 3.76Å; A395-V398 WeakPolarHBondContact O-CA 3.37Å; A395-V398 WeakPolarHBondContact O-CB 3.22Å; A395-V398 PolarHBondContact O-N 2.78Å; L396-V398 VanDerWaalsContact C-N 3.32Å; L396-V398 PolarHBondContact O-N 3.41Å; V398-A401 PolarHBondContact O-N 3.28Å; V398-V402 HydrophobicContact CG1-CG2 4.13Å; V398-V402 WeakPolarHBondContact O-CB 3.29Å; V398-V402 VanDerWaalsContact O-CG2 3.28Å; V398-V402 WeakPolarHBondContact O-CG2 3.44Å; V398-V402 PolarHBondContact O-N 2.86Å; V398-V409 HydrophobicContact CG1-CB 4.34Å; V398-V409 HydrophobicContact CG1-CG1 4.23Å; V398-V409 HydrophobicContact CG1-CG2 4.27Å; V398-V409 HydrophobicContact CG2-CG1 4.23Å; V398-V411 HydrophobicContact CG2-CG2 4.06Å; V398-I423 HydrophobicContact CG2-CG2 3.82Å; V398-A427 HydrophobicContact CB-CB 3.8Å; V398-A427 HydrophobicContact CG1-CB 3.74Å
399	V	98.8	Very high	97.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-51.2	176.4	179.7	0	0	0	0	111.1	A395 L396 A401 V402 D403 L430 L431 V559 Y561	A395-V399 WeakPolarHBondContact O-CG2 3.47Å; A395-V399 PolarHBondContact O-N 3.37Å; L396-V399 HydrophobicContact CD1-CB 4.34Å; L396-V399 WeakPolarHBondContact O-CB 3.43Å; L396-V399 PolarHBondContact O-N 3.37Å; L396-V399 VanDerWaalsContact O-N 3.15Å; V399-A401 VanDerWaalsContact C-N 3.33Å; V399-A401 PolarHBondContact O-N 2.81Å; V399-V402 PolarHBondContact O-N 3.34Å; V399-D403 WeakPolarHBondContact O-CB 3.29Å; V399-D403 PolarHBondContact O-N 3.39Å; V399-L430 HydrophobicContact CG2-CB 3.52Å; V399-L430 HydrophobicContact CG2-CD1 3.73Å; V399-L430 HydrophobicContact CG2-CG 4.27Å; V399-L431 HydrophobicContact CG1-CD2 3.98Å; V399-L431 HydrophobicContact CG1-CG 4.32Å; V399-L431 HydrophobicContact CG2-CG 4.23Å; V399-V559 HydrophobicContact CG1-CG1 3.5Å; V399-Y561 HydrophobicContact CG1-CE1 3.97Å
400	H	98.5	Very high	97.6	Very high	64 Å²	64	30.2 Å²	30.2	30%	0.296	15%	0.147	S	C	.	.	I	π-helix	trans	-57.3	-45.7	177	-75.8	-73.2	0	0	0	111.8	L396 V402 Q404 D405 Y561	L396-H400 PolarHBondContact O-CD2 3.21Å; L396-H400 PolarHBondContact O-N 3.29Å; H400-V402 PolarHBondContact O-N 3.36Å; H400-Q404 VanDerWaalsContact ND1-CD 3.33Å; H400-Q404 PolarHBondContact ND1-OE1 3.41Å; H400-Q404 WeakPolarHBondContact O-CA 3.46Å; H400-Q404 WeakPolarHBondContact O-CB 3.47Å; H400-Q404 PolarHBondContact O-N 2.96Å; H400-D405 PolarHBondContact O-N 3.11Å; H400-Y561 AromaticContact CE1-CD1 3.82Å; H400-Y561 AromaticContact CE1-CE1 3.65Å; H400-Y561 AromaticContact ND1-CE1 3.8Å
401	A	98	Very high	97.6	Very high	1 Å²	1	29 Å²	29	1%	0.008	14%	0.139	C	C	.	.	I	π-helix	trans	-61.6	-44.7	178.1	0	0	0	0	0	112.4	L313 L397 V398 V399 D405 Q406 R407 V409	L313-A401 HydrophobicContact CD2-CB 3.84Å; L397-A401 WeakPolarHBondContact O-CB 3.48Å; L397-A401 PolarHBondContact O-N 3.46Å; L397-A401 VanDerWaalsContact O-N 3.12Å; V398-A401 PolarHBondContact O-N 3.28Å; V399-A401 VanDerWaalsContact C-N 3.33Å; V399-A401 PolarHBondContact O-N 2.81Å; A401-D405 CarbonylContact O-C 3.52Å; A401-D405 WeakPolarHBondContact O-CB 3.07Å; A401-Q406 PolarHBondContact O-N 2.67Å; A401-Q406 VanDerWaalsContact O-N 3.12Å; A401-R407 HydrophobicContact CB-CB 4.35Å; A401-R407 WeakPolarHBondContact O-CA 3.21Å; A401-R407 VanDerWaalsContact O-CB 3.25Å; A401-R407 WeakPolarHBondContact O-CB 3.16Å; A401-R407 PolarHBondContact O-N 3.08Å; A401-V409 HydrophobicContact CB-CG2 3.66Å
402	V	97.6	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-78.2	-42.6	-174.5	173	0	0	0	0	112.9	Y223 H225 N228 A230 I232 V398 V399 H400 V409 L431	Y223-V402 HydrophobicContact CE1-CG1 4.23Å; H225-V402 HydrophobicContact CB-CG1 3.74Å; N228-V402 PolarHBondContact ND2-O 3.17Å; A230-V402 HydrophobicContact CB-CG1 3.97Å; A230-V402 WeakPolarHBondContact CB-O 3.33Å; I232-V402 HydrophobicContact CD1-CG2 4.27Å; I232-V402 HydrophobicContact CG1-CG2 3.74Å; V398-V402 HydrophobicContact CG1-CG2 4.13Å; V398-V402 WeakPolarHBondContact O-CB 3.29Å; V398-V402 VanDerWaalsContact O-CG2 3.28Å; V398-V402 WeakPolarHBondContact O-CG2 3.44Å; V398-V402 PolarHBondContact O-N 2.86Å; V399-V402 PolarHBondContact O-N 3.34Å; H400-V402 PolarHBondContact O-N 3.36Å; V402-V409 HydrophobicContact CG2-CG2 3.82Å; V402-L431 HydrophobicContact CB-CD1 3.98Å; V402-L431 HydrophobicContact CB-CD2 4.25Å; V402-L431 HydrophobicContact CG1-CD1 3.82Å; V402-L431 HydrophobicContact CG1-CD2 4.07Å; V402-L431 HydrophobicContact CG2-CD1 4.42Å
403	D	96.5	Very high	97.5	Very high	44 Å²	44	29 Å²	29	24%	0.235	14%	0.14	C	C	.	.	I	π-helix	trans	-84.1	-53.3	-177	-173.6	37.9	0	0	0	111.8	H225 N228 V399 L431 V559 Y561	H225-D403 IonicContact CE1-OD1 3.24Å; H225-D403 PolarHBondContact CE1-OD1 2.86Å; H225-D403 VanDerWaalsContact CE1-OD1 3.28Å; H225-D403 IonicContact NE2-OD1 3.02Å; N228-D403 PolarHBondContact ND2-O 2.93Å; V399-D403 WeakPolarHBondContact O-CB 3.29Å; V399-D403 PolarHBondContact O-N 3.39Å; D403-L431 HydrophobicContact CB-CD2 3.91Å; D403-V559 HydrophobicContact CB-CG1 4.48Å; D403-Y561 PolarHBondContact OD2-OH 3.16Å
404	Q	94.5	Very high	97.5	Very high	106 Å²	106	25.6 Å²	25.6	50%	0.495	13%	0.126	S	C	.	.	I	π-helix	trans	-87.5	-51.4	-169.9	-52.5	-173.4	-16.3	0	0	112.4	H400 Q406 Y561	H400-Q404 VanDerWaalsContact ND1-CD 3.33Å; H400-Q404 PolarHBondContact ND1-OE1 3.41Å; H400-Q404 WeakPolarHBondContact O-CA 3.46Å; H400-Q404 WeakPolarHBondContact O-CB 3.47Å; H400-Q404 PolarHBondContact O-N 2.96Å; Q404-Q406 VanDerWaalsContact C-N 3.26Å; Q404-Q406 PolarHBondContact O-N 3.39Å; Q404-Y561 VanDerWaalsContact CG-OH 3.3Å; Q404-Y561 WeakPolarHBondContact CG-OH 3.26Å; Q404-Y561 VanDerWaalsContact NE2-CE1 3.26Å; Q404-Y561 VanDerWaalsContact NE2-CZ 3.27Å; Q404-Y561 PolarHBondContact NE2-OH 3.38Å
405	D	94.6	Very high	97.4	Very high	76 Å²	76	27.6 Å²	27.6	41%	0.406	14%	0.137	S	C	.	.	S	Bend	trans	-77.4	-13.8	179.1	-59.8	-33.1	0	0	0	112.7	Q310 H400 A401 R407	Q310-D405 PolarHBondContact NE2-O 3.16Å; H400-D405 PolarHBondContact O-N 3.11Å; A401-D405 CarbonylContact O-C 3.52Å; A401-D405 WeakPolarHBondContact O-CB 3.07Å; D405-R407 HydrophobicContact CB-CB 3.77Å; D405-R407 PolarHBondContact O-N 2.86Å
406	Q	94	Very high	97.3	Very high	117 Å²	117	27.6 Å²	27.6	55%	0.547	14%	0.137	S	C	.	.			trans	56.1	39.8	-175.6	-43.8	-169.6	2.7	0	0	112.1	N228 A401 Q404	N228-Q406 HydrophobicContact CB-CB 4.45Å; N228-Q406 HydrophobicContact CB-CG 4.28Å; A401-Q406 PolarHBondContact O-N 2.67Å; A401-Q406 VanDerWaalsContact O-N 3.12Å; Q404-Q406 VanDerWaalsContact C-N 3.26Å; Q404-Q406 PolarHBondContact O-N 3.39Å
407	R	93.4	Very high	97.2	Very high	27 Å²	27	27 Å²	27	10%	0.102	13%	0.133	C	C	.	.			trans	-109.8	134	-163.3	-173.3	179.2	-179.2	172.1	1.2	111.3	Q310 K311 L312 E343 A401 D405	Q310-R407 HydrophobicContact CB-CB 4.38Å; Q310-R407 HydrophobicContact CB-CG 4.22Å; K311-R407 WeakPolarHBondContact O-CD 3.19Å; K311-R407 WeakPolarHBondContact O-CG 3.49Å; K311-R407 PolarHBondContact O-NE 3.4Å; L312-R407 PolarHBondContact O-NH2 2.77Å; L312-R407 VanDerWaalsContact O-NH2 3.12Å; E343-R407 IonicContact OE2-CZ 3.2Å; E343-R407 IonicContact OE2-NH1 3.31Å; E343-R407 PolarHBondContact OE2-NH1 3.28Å; E343-R407 IonicContact OE2-NH2 3.63Å; E343-R407 PolarHBondContact OE2-NH2 3.34Å; A401-R407 HydrophobicContact CB-CB 4.35Å; A401-R407 WeakPolarHBondContact O-CA 3.21Å; A401-R407 VanDerWaalsContact O-CB 3.25Å; A401-R407 WeakPolarHBondContact O-CB 3.16Å; A401-R407 PolarHBondContact O-N 3.08Å; D405-R407 HydrophobicContact CB-CB 3.77Å; D405-R407 PolarHBondContact O-N 2.86Å
408	P	97	Very high	97.2	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.026	12%	0.121	C	C	.	.			trans	-70.9	140.9	173.5	27.8	-30.7	0	0	0	111.3	V231 A258 C261 L312 L313	V231-P408 HydrophobicContact CG2-CB 3.87Å; V231-P408 WeakPolarHBondContact O-CA 3.3Å; A258-P408 HydrophobicContact CB-CG 4.1Å; C261-P408 HydrophobicContact CB-CB 4.11Å; C261-P408 HydrophobicContact CB-CG 4.35Å; L312-P408 WeakPolarHBondContact CA-O 3.41Å; L312-P408 HydrophobicContact CB-CG 4.35Å; L312-P408 HydrophobicContact CD1-CB 4.37Å; L312-P408 HydrophobicContact CG-CB 4.5Å; L312-P408 HydrophobicContact CG-CG 4.44Å; L313-P408 PolarHBondContact N-O 3.16Å
409	V	98.7	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.4	-177	-170.3	0	0	0	0	111.1	V231 I232 A233 L313 V398 A401 V402 V411	V231-V409 PolarHBondContact O-N 3.31Å; I232-V409 CarbonylContact C-O 3.58Å; I232-V409 WeakPolarHBondContact CA-O 3.2Å; A233-V409 PolarHBondContact N-O 3.45Å; L313-V409 HydrophobicContact CB-CG1 4.29Å; L313-V409 HydrophobicContact CB-CG2 4.28Å; L313-V409 HydrophobicContact CD2-CG1 4.3Å; L313-V409 HydrophobicContact CD2-CG2 4.41Å; L313-V409 HydrophobicContact CG-CG1 4.3Å; L313-V409 CarbonylContact O-C 3.46Å; L313-V409 VanDerWaalsContact O-CA 3.31Å; L313-V409 WeakPolarHBondContact O-CA 3.41Å; V398-V409 HydrophobicContact CG1-CB 4.34Å; V398-V409 HydrophobicContact CG1-CG1 4.23Å; V398-V409 HydrophobicContact CG1-CG2 4.27Å; V398-V409 HydrophobicContact CG2-CG1 4.23Å; A401-V409 HydrophobicContact CB-CG2 3.66Å; V402-V409 HydrophobicContact CG2-CG2 3.82Å; V409-V411 HydrophobicContact CG1-CG2 3.98Å
410	L	98.8	Very high	97.2	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.1	169.4	180	64.9	0	0	0	109.2	P219 A233 C235 V254 L312 L313 I314 L315	P219-L410 HydrophobicContact CB-CD1 3.96Å; P219-L410 HydrophobicContact CG-CD1 4.43Å; P219-L410 HydrophobicContact CG-CD2 4.41Å; A233-L410 HydrophobicContact CB-CD1 3.62Å; A233-L410 WeakPolarHBondContact O-CA 3.34Å; C235-L410 HydrophobicContact CB-CD1 4.36Å; V254-L410 HydrophobicContact CG1-CD2 4.33Å; V254-L410 HydrophobicContact CG2-CD2 4.01Å; L312-L410 HydrophobicContact CD2-CB 3.77Å; L313-L410 PolarHBondContact O-N 3.41Å; I314-L410 WeakPolarHBondContact CA-O 3.26Å; L315-L410 PolarHBondContact N-O 2.9Å
411	V	98.9	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.6	-178.5	-175.6	0	0	0	0	110.7	I232 A233 R234 C235 L315 V398 V409 T420 I423 V424	I232-V411 HydrophobicContact CG2-CG2 4.14Å; A233-V411 PolarHBondContact O-N 3.09Å; R234-V411 VanDerWaalsContact CA-O 3.31Å; R234-V411 WeakPolarHBondContact CA-O 3.42Å; C235-V411 PolarHBondContact N-O 3.16Å; L315-V411 HydrophobicContact CD2-CG1 4.28Å; V398-V411 HydrophobicContact CG2-CG2 4.06Å; V409-V411 HydrophobicContact CG1-CG2 3.98Å; V411-T420 HydrophobicContact CB-CG2 4.43Å; V411-T420 HydrophobicContact CG1-CG2 4.12Å; V411-T420 WeakPolarHBondContact O-CG2 3.49Å; V411-I423 HydrophobicContact CG1-CB 4.05Å; V411-I423 HydrophobicContact CG1-CD1 4.02Å; V411-I423 HydrophobicContact CG1-CG2 3.92Å; V411-I423 HydrophobicContact CG2-CG2 4.38Å; V411-V424 HydrophobicContact CB-CG2 3.83Å; V411-V424 HydrophobicContact CG1-CG2 4.08Å; V411-V424 HydrophobicContact CG2-CG2 4.02Å
412	H	98.8	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-177.1	174.3	72.7	99.6	0	0	0	112.7	C235 I314 L315 D316 A317 E334 T420	C235-H412 VanDerWaalsContact O-CB 3.29Å; C235-H412 WeakPolarHBondContact O-CB 3.32Å; I314-H412 WeakPolarHBondContact CG2-NE2 3.41Å; L315-H412 PolarHBondContact O-N 3.03Å; D316-H412 VanDerWaalsContact CG-CE1 3.43Å; D316-H412 IonicContact OD2-CE1 3.2Å; D316-H412 PolarHBondContact OD2-CE1 3.32Å; A317-H412 PolarHBondContact N-O 3.43Å; E334-H412 IonicContact OE2-CE1 2.79Å; E334-H412 IonicContact OE2-NE2 3.58Å; E334-H412 PolarHBondContact OE2-NE2 2.84Å; H412-T420 WeakPolarHBondContact CA-OG1 3.35Å
413	C	97.3	Very high	97.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	11%	0.113	C	C	.	.			trans	-148.8	-129.5	166.9	57.6	0	0	0	0	107.3	Q237 A317 R318 G416 R419 T420	Q237-C413 WeakPolarHBondContact CB-O 3.48Å; A317-C413 HydrophobicContact CB-CB 3.88Å; R318-C413 HydrophobicContact CG-CB 4.32Å; C413-G416 PolarHBondContact SG-N 2.8Å; C413-G416 VanDerWaalsContact SG-N 3.37Å; C413-R419 HydrophobicContact CB-CB 4.26Å; C413-T420 PolarHBondContact N-OG1 2.84Å; C413-T420 PolarHBondContact SG-OG1 3Å; C413-T420 VanDerWaalsContact SG-OG1 3.36Å
414	S	97.4	Very high	97.4	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.063	10%	0.102	C	C	.	.	S	Bend	trans	-74.6	-79.3	162.6	-65.4	0	0	0	0	109.7	Q237 R318 N326	Q237-S414 WeakPolarHBondContact CG-O 3.4Å; Q237-S414 PolarHBondContact N-O 3.38Å; R318-S414 WeakPolarHBondContact CD-OG 3.33Å; R318-S414 PolarHBondContact NH1-OG 3.29Å; R318-S414 VanDerWaalsContact NH1-OG 3.16Å; N326-S414 VanDerWaalsContact CG-OG 3.32Å; N326-S414 PolarHBondContact ND2-OG 3.3Å; N326-S414 PolarHBondContact OD1-OG 3Å
415	D	96.9	Very high	97.7	Very high	42 Å²	42	16.1 Å²	16.1	23%	0.225	8%	0.078	C	C	.	.	S	Bend	trans	-90.1	-11.7	-169.8	-40.5	-93.6	0	0	0	113.7	W215 R217 W417	W215-D415 PolarHBondContact NE1-OD1 2.84Å; R217-D415 WeakPolarHBondContact CD-O 3.05Å; R217-D415 PolarHBondContact NE-O 3.36Å; D415-W417 VanDerWaalsContact C-N 3.33Å; D415-W417 HydrophobicContact CB-CD2 3.63Å; D415-W417 HydrophobicContact CB-CE3 4.03Å; D415-W417 HydrophobicContact CB-CG 4.2Å; D415-W417 HydrophobicContact CB-CH2 3.95Å; D415-W417 HydrophobicContact CB-CZ2 3.51Å; D415-W417 HydrophobicContact CB-CZ3 4.18Å; D415-W417 PolarHBondContact O-N 3.29Å
416	G	97.4	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	75.7	11.3	176.6	0	0	0	0	0	115.9	R217 R234 C235 C413	R217-G416 PolarHBondContact NH2-O 3.21Å; R234-G416 PolarHBondContact NH2-O 2.79Å; R234-G416 VanDerWaalsContact NH2-O 3.07Å; C235-G416 WeakPolarHBondContact O-CA 3.35Å; C413-G416 PolarHBondContact SG-N 2.8Å; C413-G416 VanDerWaalsContact SG-N 3.37Å
417	W	97.6	Very high	98.1	Very high	13 Å²	13	6.9 Å²	6.9	5%	0.049	3%	0.033	C	C	.	.	S	Bend	trans	-115.4	-8.8	179.9	58.6	51	0	0	0	115.8	W215 D415 P421 G453 H454 K455	W215-W417 HydrophobicContact CB-CZ3 4.19Å; W215-W417 AromaticContact CD1-CH2 3.67Å; W215-W417 AromaticContact CD1-CZ3 3.82Å; W215-W417 AromaticContact CD2-CH2 3.7Å; W215-W417 HydrophobicContact CD2-CH2 3.7Å; W215-W417 AromaticContact CD2-CZ3 3.9Å; W215-W417 HydrophobicContact CD2-CZ3 3.9Å; W215-W417 AromaticContact CE2-CH2 3.48Å; W215-W417 VanDerWaalsContact CE2-CH2 3.48Å; W215-W417 HydrophobicContact CE3-CH2 4.4Å; W215-W417 AromaticContact CG-CH2 3.84Å; W215-W417 HydrophobicContact CG-CH2 3.84Å; W215-W417 AromaticContact CG-CZ3 3.7Å; W215-W417 HydrophobicContact CG-CZ3 3.7Å; W215-W417 HydrophobicContact CZ2-CH2 4.02Å; W215-W417 AromaticContact NE1-CH2 3.41Å; D415-W417 VanDerWaalsContact C-N 3.33Å; D415-W417 HydrophobicContact CB-CD2 3.63Å; D415-W417 HydrophobicContact CB-CE3 4.03Å; D415-W417 HydrophobicContact CB-CG 4.2Å; D415-W417 HydrophobicContact CB-CH2 3.95Å; D415-W417 HydrophobicContact CB-CZ2 3.51Å; D415-W417 HydrophobicContact CB-CZ3 4.18Å; D415-W417 PolarHBondContact O-N 3.29Å; W417-P421 VanDerWaalsContact O-CG 3.24Å; W417-P421 WeakPolarHBondContact O-CG 3.28Å; W417-G453 WeakPolarHBondContact CB-O 3.23Å; W417-H454 PolarHBondContact O-ND1 2.83Å; W417-K455 HydrophobicContact CD2-CD 4.31Å; W417-K455 HydrophobicContact CD2-CG 4.37Å; W417-K455 HydrophobicContact CH2-CD 4.47Å; W417-K455 HydrophobicContact CZ2-CD 3.81Å
418	D	98.2	Very high	98.4	Very high	12 Å²	12	5.7 Å²	5.7	6%	0.064	3%	0.028	C	C	.	.	S	Bend	trans	-106.2	-79.6	178.6	-75.1	-51.9	0	0	0	112	I352 T420 P421 Q422 H454 R459 V475	I352-D418 HydrophobicContact CG2-CB 4.47Å; D418-T420 PolarHBondContact O-N 3.39Å; D418-P421 VanDerWaalsContact O-CD 3.22Å; D418-P421 WeakPolarHBondContact O-CD 3.44Å; D418-P421 VanDerWaalsContact O-CG 3.29Å; D418-P421 WeakPolarHBondContact O-CG 3.42Å; D418-Q422 WeakPolarHBondContact O-CG 3.29Å; D418-H454 IonicContact OD1-CE1 3.9Å; D418-H454 PolarHBondContact OD1-CE1 3.22Å; D418-H454 VanDerWaalsContact OD1-CE1 3.24Å; D418-H454 IonicContact OD1-ND1 3.12Å; D418-R459 IonicContact OD1-CZ 3.4Å; D418-R459 IonicContact OD1-NE 3.66Å; D418-R459 PolarHBondContact OD1-NE 3.37Å; D418-R459 IonicContact OD1-NH2 2.85Å; D418-R459 IonicContact OD2-CZ 3.47Å; D418-R459 IonicContact OD2-NE 3.07Å; D418-R459 PolarHBondContact OD2-NE 2.87Å; D418-R459 IonicContact OD2-NH2 3.69Å; D418-R459 PolarHBondContact OD2-NH2 3.35Å; D418-V475 HydrophobicContact CB-CG1 4.24Å
419	R	98.7	Very high	98.4	Very high	31 Å²	31	5.5 Å²	5.5	12%	0.117	3%	0.027	C	C	.	.	H	α-helix	trans	-69.6	-32.8	-177.7	-68.7	166.2	-79.8	-158.6	-3.9	113.1	A317 M349 A350 C413 Q422 I423	A317-R419 HydrophobicContact CB-CB 3.59Å; A317-R419 HydrophobicContact CB-CG 4.34Å; M349-R419 HydrophobicContact CB-CG 4.44Å; M349-R419 HydrophobicContact CE-CB 4.08Å; M349-R419 HydrophobicContact CE-CG 3.94Å; M349-R419 PolarHBondContact O-NH1 3.46Å; A350-R419 WeakPolarHBondContact O-CD 3.24Å; A350-R419 PolarHBondContact O-NH1 3.4Å; C413-R419 HydrophobicContact CB-CB 4.26Å; R419-Q422 WeakPolarHBondContact O-CB 3.39Å; R419-Q422 PolarHBondContact O-N 2.77Å; R419-I423 WeakPolarHBondContact O-CG1 3.35Å; R419-I423 PolarHBondContact O-N 2.84Å
420	T	98.8	Very high	98.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-60.3	-53	-179.7	-58.7	0	0	0	0	113.2	R234 V411 H412 C413 D418 Q422 I423 V424	R234-T420 HydrophobicContact CB-CG2 3.77Å; V411-T420 HydrophobicContact CB-CG2 4.43Å; V411-T420 HydrophobicContact CG1-CG2 4.12Å; V411-T420 WeakPolarHBondContact O-CG2 3.49Å; H412-T420 WeakPolarHBondContact CA-OG1 3.35Å; C413-T420 PolarHBondContact N-OG1 2.84Å; C413-T420 PolarHBondContact SG-OG1 3Å; C413-T420 VanDerWaalsContact SG-OG1 3.36Å; D418-T420 PolarHBondContact O-N 3.39Å; T420-Q422 VanDerWaalsContact C-N 3.32Å; T420-Q422 PolarHBondContact O-N 3.37Å; T420-I423 PolarHBondContact O-N 3.46Å; T420-V424 HydrophobicContact CG2-CG2 4.37Å; T420-V424 WeakPolarHBondContact O-CB 3.41Å; T420-V424 VanDerWaalsContact O-CG2 3.32Å; T420-V424 WeakPolarHBondContact O-CG2 3.31Å; T420-V424 PolarHBondContact O-N 2.87Å
421	P	98.8	Very high	98.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-64.6	-32.1	174.7	24.1	-32.4	0	0	0	113.3	W417 D418 I423 A425 E448 W449	W417-P421 VanDerWaalsContact O-CG 3.24Å; W417-P421 WeakPolarHBondContact O-CG 3.28Å; D418-P421 VanDerWaalsContact O-CD 3.22Å; D418-P421 WeakPolarHBondContact O-CD 3.44Å; D418-P421 VanDerWaalsContact O-CG 3.29Å; D418-P421 WeakPolarHBondContact O-CG 3.42Å; P421-I423 PolarHBondContact O-N 3.2Å; P421-A425 WeakPolarHBondContact O-CB 3.37Å; P421-A425 PolarHBondContact O-N 3.46Å; P421-E448 VanDerWaalsContact CB-O 3.32Å; P421-E448 WeakPolarHBondContact CB-O 3.34Å; P421-W449 HydrophobicContact CB-CD2 4.18Å; P421-W449 HydrophobicContact CB-CZ2 4.4Å; P421-W449 HydrophobicContact CG-CE3 4.45Å; P421-W449 HydrophobicContact CG-CZ3 4.47Å
422	Q	98.9	Very high	98.4	Very high	3 Å²	3	5.9 Å²	5.9	1%	0.014	3%	0.029	C	C	.	.	H	α-helix	trans	-57.2	-49.6	173.1	-65.6	179.3	-40.7	0	0	111.7	L391 D418 R419 T420 L426 W449 V475 W479	L391-Q422 HydrophobicContact CD1-CB 3.54Å; L391-Q422 HydrophobicContact CD2-CB 3.95Å; L391-Q422 HydrophobicContact CD2-CG 4.29Å; L391-Q422 HydrophobicContact CG-CB 4.42Å; D418-Q422 WeakPolarHBondContact O-CG 3.29Å; R419-Q422 WeakPolarHBondContact O-CB 3.39Å; R419-Q422 PolarHBondContact O-N 2.77Å; T420-Q422 VanDerWaalsContact C-N 3.32Å; T420-Q422 PolarHBondContact O-N 3.37Å; Q422-L426 WeakPolarHBondContact O-CB 3.45Å; Q422-L426 VanDerWaalsContact O-CG 3.31Å; Q422-L426 WeakPolarHBondContact O-CG 3.4Å; Q422-L426 PolarHBondContact O-N 3.3Å; Q422-W449 HydrophobicContact CB-CZ2 4.45Å; Q422-W449 HydrophobicContact CG-CH2 3.55Å; Q422-W449 HydrophobicContact CG-CZ2 3.9Å; Q422-V475 HydrophobicContact CG-CG1 4.06Å; Q422-V475 PolarHBondContact NE2-O 2.92Å; Q422-W479 HydrophobicContact CG-CB 4.29Å
423	I	98.9	Very high	98.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.9	-51.7	180	-63.3	164.2	0	0	0	110.7	L315 A317 M349 L391 V398 V411 R419 T420 P421 A425 L426 A427	L315-I423 HydrophobicContact CD2-CD1 3.84Å; A317-I423 HydrophobicContact CB-CD1 3.63Å; M349-I423 HydrophobicContact CE-CG1 4.41Å; M349-I423 HydrophobicContact SD-CD1 3.75Å; M349-I423 HydrophobicContact SD-CG1 4.05Å; L391-I423 HydrophobicContact CD1-CG1 4.05Å; V398-I423 HydrophobicContact CG2-CG2 3.82Å; V411-I423 HydrophobicContact CG1-CB 4.05Å; V411-I423 HydrophobicContact CG1-CD1 4.02Å; V411-I423 HydrophobicContact CG1-CG2 3.92Å; V411-I423 HydrophobicContact CG2-CG2 4.38Å; R419-I423 WeakPolarHBondContact O-CG1 3.35Å; R419-I423 PolarHBondContact O-N 2.84Å; T420-I423 PolarHBondContact O-N 3.46Å; P421-I423 PolarHBondContact O-N 3.2Å; I423-A425 PolarHBondContact O-N 3.39Å; I423-L426 PolarHBondContact O-N 2.72Å; I423-A427 WeakPolarHBondContact O-CB 3.4Å; I423-A427 PolarHBondContact O-N 2.96Å
424	V	98.9	Very high	98.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.8	-44.5	-175.2	173.7	0	0	0	0	111	V222 I232 R234 V411 T420 A427 K428 E448	V222-V424 HydrophobicContact CG2-CG1 3.82Å; I232-V424 HydrophobicContact CG2-CG1 4.41Å; I232-V424 HydrophobicContact CG2-CG2 4.2Å; R234-V424 HydrophobicContact CB-CG2 4.43Å; V411-V424 HydrophobicContact CB-CG2 3.83Å; V411-V424 HydrophobicContact CG1-CG2 4.08Å; V411-V424 HydrophobicContact CG2-CG2 4.02Å; T420-V424 HydrophobicContact CG2-CG2 4.37Å; T420-V424 WeakPolarHBondContact O-CB 3.41Å; T420-V424 VanDerWaalsContact O-CG2 3.32Å; T420-V424 WeakPolarHBondContact O-CG2 3.31Å; T420-V424 PolarHBondContact O-N 2.87Å; V424-A427 PolarHBondContact O-N 2.86Å; V424-K428 HydrophobicContact CG1-CD 3.84Å; V424-K428 HydrophobicContact CG1-CG 4.43Å; V424-K428 WeakPolarHBondContact O-CB 3.46Å; V424-K428 VanDerWaalsContact O-CG 3.26Å; V424-K428 WeakPolarHBondContact O-CG 3.3Å; V424-K428 PolarHBondContact O-N 3.09Å; V424-E448 HydrophobicContact CG1-CG 4.38Å; V424-E448 WeakPolarHBondContact CG1-OE2 3.33Å
425	A	98.9	Very high	98.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-70	-34.8	-179.4	0	0	0	0	0	112.5	P421 I423 L429 L444 E448 W479	P421-A425 WeakPolarHBondContact O-CB 3.37Å; P421-A425 PolarHBondContact O-N 3.46Å; I423-A425 PolarHBondContact O-N 3.39Å; A425-L429 WeakPolarHBondContact O-CG 3.47Å; A425-L429 PolarHBondContact O-N 2.81Å; A425-L444 HydrophobicContact CB-CD1 4.24Å; A425-L444 HydrophobicContact CB-CD2 4.14Å; A425-L444 HydrophobicContact CB-CG 4.17Å; A425-E448 HydrophobicContact CB-CB 4.09Å; A425-E448 HydrophobicContact CB-CG 4.22Å; A425-W479 HydrophobicContact CB-CZ2 3.59Å
426	L	98.9	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.5	-46.5	170	-74.5	175.5	0	0	0	111.9	L391 L392 A395 Q422 I423 K428 L429 L430 C482 V483 L486	L391-L426 HydrophobicContact CD1-CD1 3.86Å; L391-L426 HydrophobicContact CD2-CD1 4.18Å; L391-L426 HydrophobicContact CG-CD1 3.65Å; L392-L426 HydrophobicContact CD2-CD1 4.29Å; A395-L426 HydrophobicContact CB-CB 3.42Å; A395-L426 VanDerWaalsContact CB-CB 3.42Å; A395-L426 HydrophobicContact CB-CD1 4.13Å; A395-L426 HydrophobicContact CB-CG 4.43Å; Q422-L426 WeakPolarHBondContact O-CB 3.45Å; Q422-L426 VanDerWaalsContact O-CG 3.31Å; Q422-L426 WeakPolarHBondContact O-CG 3.4Å; Q422-L426 PolarHBondContact O-N 3.3Å; I423-L426 PolarHBondContact O-N 2.72Å; L426-K428 VanDerWaalsContact C-N 3.26Å; L426-K428 PolarHBondContact O-N 3.5Å; L426-L429 HydrophobicContact CD2-CD1 4.44Å; L426-L429 PolarHBondContact O-N 2.82Å; L426-L429 VanDerWaalsContact O-N 3.14Å; L426-L430 VanDerWaalsContact O-CG 3.27Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.12Å; L426-C482 HydrophobicContact CD1-CB 3.86Å; L426-C482 HydrophobicContact CD2-CB 3.89Å; L426-C482 HydrophobicContact CG-CB 4.49Å; L426-V483 HydrophobicContact CD2-CG2 4.21Å; L426-L486 HydrophobicContact CD2-CD1 4.02Å
427	A	98.9	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.6	-42	177.8	0	0	0	0	0	111.3	I232 V398 I423 V424 L430 L431	I232-A427 HydrophobicContact CD1-CB 4.15Å; V398-A427 HydrophobicContact CB-CB 3.8Å; V398-A427 HydrophobicContact CG1-CB 3.74Å; I423-A427 WeakPolarHBondContact O-CB 3.4Å; I423-A427 PolarHBondContact O-N 2.96Å; V424-A427 PolarHBondContact O-N 2.86Å; A427-L430 PolarHBondContact O-N 2.98Å; A427-L431 WeakPolarHBondContact O-CB 3.41Å; A427-L431 WeakPolarHBondContact O-CD1 3.42Å; A427-L431 VanDerWaalsContact O-CG 3.29Å; A427-L431 WeakPolarHBondContact O-CG 3.49Å; A427-L431 PolarHBondContact O-N 2.89Å
428	K	98.8	Very high	98.4	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-45.4	174.2	-74.1	176.9	70.2	163	0	112.5	V222 Y223 V424 L426 L430 L431 D432 Y435 L444 E448	V222-K428 PolarHBondContact O-NZ 3.46Å; Y223-K428 HydrophobicContact CD2-CD 4.42Å; Y223-K428 HydrophobicContact CD2-CG 3.99Å; Y223-K428 HydrophobicContact CG-CG 4.1Å; V424-K428 HydrophobicContact CG1-CD 3.84Å; V424-K428 HydrophobicContact CG1-CG 4.43Å; V424-K428 WeakPolarHBondContact O-CB 3.46Å; V424-K428 VanDerWaalsContact O-CG 3.26Å; V424-K428 WeakPolarHBondContact O-CG 3.3Å; V424-K428 PolarHBondContact O-N 3.09Å; L426-K428 VanDerWaalsContact C-N 3.26Å; L426-K428 PolarHBondContact O-N 3.5Å; K428-L430 VanDerWaalsContact C-N 3.29Å; K428-L430 PolarHBondContact O-N 3.46Å; K428-L431 PolarHBondContact O-N 3.05Å; K428-D432 WeakPolarHBondContact O-CB 3.48Å; K428-D432 PolarHBondContact O-N 2.83Å; K428-Y435 HydrophobicContact CB-CD2 3.77Å; K428-Y435 HydrophobicContact CB-CE2 3.66Å; K428-Y435 HydrophobicContact CD-CE2 4.38Å; K428-Y435 VanDerWaalsContact CE-CE2 3.41Å; K428-Y435 WeakPolarHBondContact CE-OH 3.21Å; K428-Y435 HydrophobicContact CG-CE2 4.16Å; K428-Y435 PolarHBondContact NZ-OH 2.76Å; K428-Y435 WeakPolarHBondContact O-CD2 3.44Å; K428-L444 HydrophobicContact CB-CD1 3.85Å; K428-L444 HydrophobicContact CD-CD1 4.09Å; K428-E448 HydrophobicContact CD-CG 4.21Å; K428-E448 WeakPolarHBondContact CD-OE1 3.43Å; K428-E448 IonicContact NZ-OE1 2.93Å; K428-E448 PolarHBondContact NZ-OE1 3.03Å
429	L	98.6	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.4	-36.5	174.1	-75.4	165.7	0	0	0	113.5	A425 L426 Y435 R436 F441 L444 W479 V483 F494	A425-L429 WeakPolarHBondContact O-CG 3.47Å; A425-L429 PolarHBondContact O-N 2.81Å; L426-L429 HydrophobicContact CD2-CD1 4.44Å; L426-L429 PolarHBondContact O-N 2.82Å; L426-L429 VanDerWaalsContact O-N 3.14Å; L429-Y435 WeakPolarHBondContact CD2-O 3.46Å; L429-R436 HydrophobicContact CD2-CG 4.2Å; L429-R436 VanDerWaalsContact O-CD 3.26Å; L429-R436 WeakPolarHBondContact O-CD 3.25Å; L429-R436 PolarHBondContact O-NE 3.37Å; L429-F441 HydrophobicContact CD1-CE2 4.09Å; L429-F441 HydrophobicContact CD2-CD2 3.87Å; L429-F441 HydrophobicContact CD2-CE2 4.12Å; L429-L444 HydrophobicContact CD1-CD2 3.92Å; L429-L444 HydrophobicContact CD2-CD2 3.77Å; L429-L444 HydrophobicContact CG-CD2 3.5Å; L429-W479 HydrophobicContact CD1-CH2 4.35Å; L429-W479 HydrophobicContact CD1-CZ2 3.66Å; L429-V483 HydrophobicContact CD1-CG1 4.47Å; L429-V483 HydrophobicContact CD1-CG2 3.66Å; L429-F494 HydrophobicContact CD2-CE1 4.37Å
430	L	98.8	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-74.8	-38.4	179.5	-66.9	175.3	0	0	0	111.7	A395 V399 L426 A427 K428 L486 V559 L560 P562	A395-L430 HydrophobicContact CB-CD1 4.31Å; V399-L430 HydrophobicContact CG2-CB 3.52Å; V399-L430 HydrophobicContact CG2-CD1 3.73Å; V399-L430 HydrophobicContact CG2-CG 4.27Å; L426-L430 VanDerWaalsContact O-CG 3.27Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.12Å; A427-L430 PolarHBondContact O-N 2.98Å; K428-L430 VanDerWaalsContact C-N 3.29Å; K428-L430 PolarHBondContact O-N 3.46Å; L430-L486 HydrophobicContact CD2-CD1 3.64Å; L430-L486 HydrophobicContact CD2-CD2 3.76Å; L430-L486 HydrophobicContact CD2-CG 4.33Å; L430-L486 HydrophobicContact CG-CD1 4.18Å; L430-V559 CarbonylContact O-C 3.17Å; L430-V559 VanDerWaalsContact O-CA 3.23Å; L430-V559 WeakPolarHBondContact O-CA 3.37Å; L430-L560 HydrophobicContact CD2-CB 3.78Å; L430-L560 PolarHBondContact O-N 2.9Å; L430-P562 HydrophobicContact CD1-CG 4.02Å; L430-P562 HydrophobicContact CD2-CG 3.96Å
431	L	98.4	Very high	98.3	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	-81.9	-28.2	-178.1	-74.2	161.9	0	0	0	115	Y223 I232 V399 V402 D403 A427 K428 V559	Y223-L431 HydrophobicContact CD1-CD1 4.32Å; Y223-L431 HydrophobicContact CE1-CB 4.21Å; Y223-L431 HydrophobicContact CE1-CD1 3.89Å; I232-L431 HydrophobicContact CD1-CD1 3.91Å; V399-L431 HydrophobicContact CG1-CD2 3.98Å; V399-L431 HydrophobicContact CG1-CG 4.32Å; V399-L431 HydrophobicContact CG2-CG 4.23Å; V402-L431 HydrophobicContact CB-CD1 3.98Å; V402-L431 HydrophobicContact CB-CD2 4.25Å; V402-L431 HydrophobicContact CG1-CD1 3.82Å; V402-L431 HydrophobicContact CG1-CD2 4.07Å; V402-L431 HydrophobicContact CG2-CD1 4.42Å; D403-L431 HydrophobicContact CB-CD2 3.91Å; A427-L431 WeakPolarHBondContact O-CB 3.41Å; A427-L431 WeakPolarHBondContact O-CD1 3.42Å; A427-L431 VanDerWaalsContact O-CG 3.29Å; A427-L431 WeakPolarHBondContact O-CG 3.49Å; A427-L431 PolarHBondContact O-N 2.89Å; K428-L431 PolarHBondContact O-N 3.05Å; L431-V559 HydrophobicContact CD2-CG1 4.19Å; L431-V559 HydrophobicContact CD2-CG2 4.43Å
432	D	97.7	Very high	98.3	Very high	7 Å²	7	11.4 Å²	11.4	4%	0.037	6%	0.058	C	C	.	.			trans	-131.8	115.3	-164.8	-171	-18.1	0	0	0	112.1	R167 Y223 K428 Y434 Y435	R167-D432 IonicContact CZ-OD2 3.41Å; R167-D432 VanDerWaalsContact CZ-OD2 3.22Å; R167-D432 VanDerWaalsContact NH1-CG 3.35Å; R167-D432 IonicContact NH1-OD1 2.71Å; R167-D432 PolarHBondContact NH1-OD1 2.96Å; R167-D432 IonicContact NH1-OD2 3.27Å; R167-D432 PolarHBondContact NH1-OD2 3.31Å; R167-D432 IonicContact NH2-OD2 2.81Å; R167-D432 PolarHBondContact NH2-OD2 3.39Å; Y223-D432 HydrophobicContact CE2-CB 3.99Å; K428-D432 WeakPolarHBondContact O-CB 3.48Å; K428-D432 PolarHBondContact O-N 2.83Å; D432-Y434 PolarHBondContact O-N 3.32Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.32Å; D432-Y434 PolarHBondContact OD1-N 2.99Å; D432-Y435 HydrophobicContact CB-CD2 3.74Å; D432-Y435 HydrophobicContact CB-CE2 3.92Å; D432-Y435 PolarHBondContact O-N 2.59Å
433	P	97.3	Very high	98.3	Very high	52 Å²	52	11.3 Å²	11.3	34%	0.338	6%	0.058	S	C	.	.	G	3₁₀ helix	trans	-66.3	-17.7	-179.8	27.8	-34.4	0	0	0	113.5	Y435 R436	P433-Y435 PolarHBondContact O-N 2.84Å; P433-R436 PolarHBondContact O-N 2.95Å
434	Y	97.5	Very high	98.3	Very high	51 Å²	51	11.4 Å²	11.4	20%	0.2	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-58.6	-47.7	175.6	172.3	-113.9	0	0	0	111.4	E164 R167 D432 R436 T437 G440 V443	E164-Y434 WeakPolarHBondContact OE1-CE1 3.42Å; R167-Y434 VanDerWaalsContact NE-CD1 3.28Å; D432-Y434 PolarHBondContact O-N 3.32Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.32Å; D432-Y434 PolarHBondContact OD1-N 2.99Å; Y434-R436 PolarHBondContact O-N 3.13Å; Y434-R436 VanDerWaalsContact O-N 3.08Å; Y434-T437 WeakPolarHBondContact O-CB 3.44Å; Y434-T437 WeakPolarHBondContact O-CG2 3.42Å; Y434-T437 PolarHBondContact O-N 3.17Å; Y434-T437 PolarHBondContact O-OG1 3.39Å; Y434-G440 VanDerWaalsContact CZ-CA 3.46Å; Y434-G440 WeakPolarHBondContact O-CA 3.36Å; Y434-V443 HydrophobicContact CE1-CB 4.38Å; Y434-V443 HydrophobicContact CE1-CG1 4.26Å
435	Y	98.4	Very high	98.3	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-69	-9.3	-178.7	-56.5	-53.6	0	0	0	114.1	E164 R167 M168 Y223 K428 L429 D432 P433 G440 F441 L444	E164-Y435 VanDerWaalsContact OE2-CE1 3.24Å; E164-Y435 WeakPolarHBondContact OE2-CE1 3.21Å; E164-Y435 PolarHBondContact OE2-OH 3.04Å; R167-Y435 PolarHBondContact NH2-OH 2.84Å; M168-Y435 WeakPolarHBondContact CE-OH 3.41Å; Y223-Y435 HydrophobicContact CD2-CE2 4.36Å; Y223-Y435 HydrophobicContact CE2-CE2 4.32Å; K428-Y435 HydrophobicContact CB-CD2 3.77Å; K428-Y435 HydrophobicContact CB-CE2 3.66Å; K428-Y435 HydrophobicContact CD-CE2 4.38Å; K428-Y435 VanDerWaalsContact CE-CE2 3.41Å; K428-Y435 WeakPolarHBondContact CE-OH 3.21Å; K428-Y435 HydrophobicContact CG-CE2 4.16Å; K428-Y435 PolarHBondContact NZ-OH 2.76Å; K428-Y435 WeakPolarHBondContact O-CD2 3.44Å; L429-Y435 WeakPolarHBondContact CD2-O 3.46Å; D432-Y435 HydrophobicContact CB-CD2 3.74Å; D432-Y435 HydrophobicContact CB-CE2 3.92Å; D432-Y435 PolarHBondContact O-N 2.59Å; P433-Y435 PolarHBondContact O-N 2.84Å; Y435-G440 WeakPolarHBondContact CD1-O 3.26Å; Y435-F441 WeakPolarHBondContact O-CA 3.27Å; Y435-F441 PolarHBondContact O-N 2.84Å; Y435-L444 HydrophobicContact CD1-CB 3.82Å; Y435-L444 HydrophobicContact CD1-CD1 4.06Å; Y435-L444 HydrophobicContact CD1-CG 4.43Å; Y435-L444 HydrophobicContact CD2-CD1 4.22Å; Y435-L444 HydrophobicContact CE1-CB 4.38Å; Y435-L444 HydrophobicContact CE1-CD1 4.19Å; Y435-L444 HydrophobicContact CE2-CD1 4.35Å; Y435-L444 HydrophobicContact CG-CB 4.25Å; Y435-L444 HydrophobicContact CG-CD1 4.06Å; Y435-L444 HydrophobicContact CG-CD2 4.43Å; Y435-L444 HydrophobicContact CG-CG 4.49Å
436	R	98.4	Very high	98.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-90.2	-7.4	174.2	-55.8	-170.3	-100.3	119.4	-12.4	112.5	L429 P433 Y434 S493 F494 E495 S556 E557 A558	L429-R436 HydrophobicContact CD2-CG 4.2Å; L429-R436 VanDerWaalsContact O-CD 3.26Å; L429-R436 WeakPolarHBondContact O-CD 3.25Å; L429-R436 PolarHBondContact O-NE 3.37Å; P433-R436 PolarHBondContact O-N 2.95Å; Y434-R436 PolarHBondContact O-N 3.13Å; Y434-R436 VanDerWaalsContact O-N 3.08Å; R436-S493 VanDerWaalsContact CB-O 3.25Å; R436-S493 WeakPolarHBondContact CB-O 3.41Å; R436-S493 WeakPolarHBondContact CD-O 3.49Å; R436-S493 PolarHBondContact NH1-O 3.26Å; R436-F494 HydrophobicContact CB-CD1 3.75Å; R436-F494 HydrophobicContact CB-CE1 4.12Å; R436-F494 HydrophobicContact CB-CG 4.37Å; R436-F494 HydrophobicContact CG-CD1 3.77Å; R436-F494 HydrophobicContact CG-CE1 3.59Å; R436-F494 HydrophobicContact CG-CZ 4.27Å; R436-F494 WeakPolarHBondContact O-CA 3.47Å; R436-E495 PolarHBondContact O-N 3.4Å; R436-S556 PolarHBondContact NH1-OG 3.32Å; R436-E557 PolarHBondContact NH1-O 2.72Å; R436-E557 PolarHBondContact NH2-O 3.5Å; R436-A558 PolarHBondContact NH2-O 3.42Å
437	T	97.8	Very high	98.2	Very high	26 Å²	26	12.4 Å²	12.4	16%	0.16	6%	0.063	C	C	.	.	S	Bend	trans	-74.5	162.2	163.4	69.7	0	0	0	0	111	Y434 G440 F441 E495	Y434-T437 WeakPolarHBondContact O-CB 3.44Å; Y434-T437 WeakPolarHBondContact O-CG2 3.42Å; Y434-T437 PolarHBondContact O-N 3.17Å; Y434-T437 PolarHBondContact O-OG1 3.39Å; T437-G440 PolarHBondContact OG1-N 2.93Å; T437-F441 WeakPolarHBondContact O-CB 3.28Å; T437-F441 PolarHBondContact O-N 3.07Å; T437-E495 WeakPolarHBondContact CA-OE2 3.45Å; T437-E495 WeakPolarHBondContact CB-OE2 3.35Å
438	I	97.5	Very high	98.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-60.8	-48.1	174.4	-69.2	167.2	0	0	0	110.2	F441 Q442 E495 F496 F500 L540 A542	I438-F441 PolarHBondContact O-N 2.95Å; I438-Q442 WeakPolarHBondContact O-CG 3.39Å; I438-Q442 PolarHBondContact O-N 2.87Å; I438-E495 HydrophobicContact CD1-CG 4.14Å; I438-E495 HydrophobicContact CG1-CB 4.37Å; I438-E495 HydrophobicContact CG1-CG 4.09Å; I438-E495 PolarHBondContact N-OE2 2.98Å; I438-F496 HydrophobicContact CG1-CB 4.04Å; I438-F500 HydrophobicContact CG2-CE2 4.05Å; I438-L540 WeakPolarHBondContact CG2-O 3.48Å; I438-A542 HydrophobicContact CB-CB 4.11Å; I438-A542 HydrophobicContact CD1-CB 4.4Å; I438-A542 HydrophobicContact CG2-CB 3.98Å
439	E	96.9	Very high	98.2	Very high	92 Å²	92	12.3 Å²	12.3	43%	0.43	6%	0.063	S	C	.	.	H	α-helix	trans	-66.3	-44.3	-177.3	-68.8	-178.3	176.6	0	0	112.5	H156 F441 Q442 V443 A542	H156-E439 PolarHBondContact CD2-O 3.45Å; E439-F441 VanDerWaalsContact C-N 3.35Å; E439-F441 PolarHBondContact O-N 3.44Å; E439-Q442 WeakPolarHBondContact O-CB 3.38Å; E439-Q442 PolarHBondContact O-N 2.94Å; E439-V443 PolarHBondContact O-N 3.15Å; E439-V443 VanDerWaalsContact O-N 3.11Å; E439-A542 HydrophobicContact CG-CB 4.18Å
440	G	98.1	Very high	98.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66	-35.1	176.6	0	0	0	0	0	112.9	Y434 Y435 T437 Q442 V443 L444	Y434-G440 VanDerWaalsContact CZ-CA 3.46Å; Y434-G440 WeakPolarHBondContact O-CA 3.36Å; Y435-G440 WeakPolarHBondContact CD1-O 3.26Å; T437-G440 PolarHBondContact OG1-N 2.93Å; G440-Q442 VanDerWaalsContact C-N 3.33Å; G440-Q442 PolarHBondContact O-N 3.42Å; G440-V443 PolarHBondContact O-N 3.38Å; G440-L444 WeakPolarHBondContact O-CB 3.32Å; G440-L444 PolarHBondContact O-N 3.29Å
441	F	98.8	Very high	98.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64	-38.8	175	-164.5	-88.4	0	0	0	112.2	L429 Y435 T437 I438 E439 L444 V445 W479 L480 V483 F496 F500 L501 L504	L429-F441 HydrophobicContact CD1-CE2 4.09Å; L429-F441 HydrophobicContact CD2-CD2 3.87Å; L429-F441 HydrophobicContact CD2-CE2 4.12Å; Y435-F441 WeakPolarHBondContact O-CA 3.27Å; Y435-F441 PolarHBondContact O-N 2.84Å; T437-F441 WeakPolarHBondContact O-CB 3.28Å; T437-F441 PolarHBondContact O-N 3.07Å; I438-F441 PolarHBondContact O-N 2.95Å; E439-F441 VanDerWaalsContact C-N 3.35Å; E439-F441 PolarHBondContact O-N 3.44Å; F441-L444 PolarHBondContact O-N 2.99Å; F441-V445 HydrophobicContact CD1-CG2 4.09Å; F441-V445 HydrophobicContact CE1-CG2 3.79Å; F441-V445 HydrophobicContact CZ-CG2 4.46Å; F441-V445 WeakPolarHBondContact O-CG2 3.38Å; F441-V445 PolarHBondContact O-N 3.1Å; F441-V445 VanDerWaalsContact O-N 3.1Å; F441-W479 HydrophobicContact CE1-CH2 4.14Å; F441-W479 HydrophobicContact CE1-CZ3 4.15Å; F441-W479 AromaticContact CE2-CH2 3.69Å; F441-W479 HydrophobicContact CE2-CH2 3.69Å; F441-W479 HydrophobicContact CE2-CZ2 4.43Å; F441-W479 HydrophobicContact CE2-CZ3 4.3Å; F441-W479 AromaticContact CZ-CH2 3.39Å; F441-W479 HydrophobicContact CZ-CH2 3.39Å; F441-W479 HydrophobicContact CZ-CZ2 4.45Å; F441-W479 AromaticContact CZ-CZ3 3.55Å; F441-W479 HydrophobicContact CZ-CZ3 3.55Å; F441-L480 HydrophobicContact CE1-CD2 4.35Å; F441-L480 HydrophobicContact CZ-CD2 3.99Å; F441-V483 HydrophobicContact CE2-CG1 3.85Å; F441-V483 HydrophobicContact CE2-CG2 4.19Å; F441-V483 HydrophobicContact CZ-CG1 4.28Å; F441-V483 HydrophobicContact CZ-CG2 4.36Å; F441-F496 HydrophobicContact CB-CD1 4.08Å; F441-F496 HydrophobicContact CB-CE1 3.7Å; F441-F496 HydrophobicContact CD2-CD1 4.33Å; F441-F496 AromaticContact CD2-CE1 3.33Å; F441-F496 HydrophobicContact CD2-CE1 3.33Å; F441-F496 HydrophobicContact CD2-CE2 4.4Å; F441-F496 AromaticContact CD2-CZ 3.36Å; F441-F496 HydrophobicContact CD2-CZ 3.36Å; F441-F496 HydrophobicContact CE2-CE1 4.09Å; F441-F496 HydrophobicContact CE2-CE2 4.38Å; F441-F496 AromaticContact CE2-CZ 3.62Å; F441-F496 HydrophobicContact CE2-CZ 3.62Å; F441-F496 HydrophobicContact CG-CD1 4.23Å; F441-F496 AromaticContact CG-CE1 3.64Å; F441-F496 HydrophobicContact CG-CE1 3.64Å; F441-F496 HydrophobicContact CG-CZ 4.03Å; F441-F496 HydrophobicContact CZ-CZ 4.47Å; F441-F500 AromaticContact CD1-CE1 3.59Å; F441-F500 HydrophobicContact CD1-CE1 3.59Å; F441-F500 AromaticContact CD1-CZ 3.96Å; F441-F500 HydrophobicContact CD1-CZ 3.96Å; F441-F500 AromaticContact CE1-CE1 3.94Å; F441-F500 HydrophobicContact CE1-CE1 3.94Å; F441-F500 HydrophobicContact CG-CE1 4.23Å; F441-L501 HydrophobicContact CE1-CD2 4.44Å; F441-L501 HydrophobicContact CZ-CD2 4.05Å; F441-L504 HydrophobicContact CD1-CD2 4.46Å; F441-L504 HydrophobicContact CE1-CD2 3.66Å
442	Q	98.4	Very high	98.1	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	7%	0.068	C	C	.	.	H	α-helix	trans	-61.5	-46.2	173.3	-62.5	179.8	-6	0	0	111.2	H156 V157 I438 E439 G440 L444 V445 E446 W537 L540	H156-Q442 PolarHBondContact CE1-OE1 3.12Å; H156-Q442 PolarHBondContact NE2-OE1 2.95Å; V157-Q442 HydrophobicContact CG2-CB 3.93Å; I438-Q442 WeakPolarHBondContact O-CG 3.39Å; I438-Q442 PolarHBondContact O-N 2.87Å; E439-Q442 WeakPolarHBondContact O-CB 3.38Å; E439-Q442 PolarHBondContact O-N 2.94Å; G440-Q442 VanDerWaalsContact C-N 3.33Å; G440-Q442 PolarHBondContact O-N 3.42Å; Q442-L444 VanDerWaalsContact C-N 3.33Å; Q442-L444 PolarHBondContact O-N 3.04Å; Q442-V445 PolarHBondContact O-N 2.88Å; Q442-E446 WeakPolarHBondContact O-CB 3.47Å; Q442-E446 WeakPolarHBondContact O-CG 3.37Å; Q442-E446 PolarHBondContact O-N 3.14Å; Q442-W537 HydrophobicContact CB-CD2 4.01Å; Q442-W537 HydrophobicContact CB-CE3 4.23Å; Q442-W537 HydrophobicContact CB-CG 4.35Å; Q442-W537 HydrophobicContact CG-CD2 3.72Å; Q442-W537 HydrophobicContact CG-CE3 3.53Å; Q442-W537 HydrophobicContact CG-CG 4.15Å; Q442-W537 HydrophobicContact CG-CZ3 3.98Å; Q442-L540 PolarHBondContact NE2-O 3.12Å
443	V	98.6	Very high	98.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-61.5	-38.8	176.1	165.1	0	0	0	0	112.2	H156 V157 R160 E164 Y434 E439 G440 E446 M447	H156-V443 WeakPolarHBondContact O-CG2 3.48Å; V157-V443 HydrophobicContact CG2-CG2 4.27Å; R160-V443 HydrophobicContact CB-CG1 4.13Å; R160-V443 HydrophobicContact CB-CG2 4.13Å; E164-V443 HydrophobicContact CG-CG1 3.77Å; Y434-V443 HydrophobicContact CE1-CB 4.38Å; Y434-V443 HydrophobicContact CE1-CG1 4.26Å; E439-V443 PolarHBondContact O-N 3.15Å; E439-V443 VanDerWaalsContact O-N 3.11Å; G440-V443 PolarHBondContact O-N 3.38Å; V443-E446 PolarHBondContact O-N 3.32Å; V443-M447 HydrophobicContact CG1-SD 4.29Å; V443-M447 WeakPolarHBondContact O-CB 3.39Å; V443-M447 PolarHBondContact O-N 3.01Å
444	L	98.8	Very high	98.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-63.3	-44.2	177.1	-175.3	71.4	0	0	0	112.2	A425 K428 L429 Y435 G440 F441 Q442 E448 W479	A425-L444 HydrophobicContact CB-CD1 4.24Å; A425-L444 HydrophobicContact CB-CD2 4.14Å; A425-L444 HydrophobicContact CB-CG 4.17Å; K428-L444 HydrophobicContact CB-CD1 3.85Å; K428-L444 HydrophobicContact CD-CD1 4.09Å; L429-L444 HydrophobicContact CD1-CD2 3.92Å; L429-L444 HydrophobicContact CD2-CD2 3.77Å; L429-L444 HydrophobicContact CG-CD2 3.5Å; Y435-L444 HydrophobicContact CD1-CB 3.82Å; Y435-L444 HydrophobicContact CD1-CD1 4.06Å; Y435-L444 HydrophobicContact CD1-CG 4.43Å; Y435-L444 HydrophobicContact CD2-CD1 4.22Å; Y435-L444 HydrophobicContact CE1-CB 4.38Å; Y435-L444 HydrophobicContact CE1-CD1 4.19Å; Y435-L444 HydrophobicContact CE2-CD1 4.35Å; Y435-L444 HydrophobicContact CG-CB 4.25Å; Y435-L444 HydrophobicContact CG-CD1 4.06Å; Y435-L444 HydrophobicContact CG-CD2 4.43Å; Y435-L444 HydrophobicContact CG-CG 4.49Å; G440-L444 WeakPolarHBondContact O-CB 3.32Å; G440-L444 PolarHBondContact O-N 3.29Å; F441-L444 PolarHBondContact O-N 2.99Å; Q442-L444 VanDerWaalsContact C-N 3.33Å; Q442-L444 PolarHBondContact O-N 3.04Å; L444-E448 HydrophobicContact CD1-CG 3.85Å; L444-E448 WeakPolarHBondContact O-CB 3.45Å; L444-E448 PolarHBondContact O-N 3.36Å; L444-W479 HydrophobicContact CD2-CH2 4.09Å; L444-W479 HydrophobicContact CD2-CZ2 3.85Å
445	V	98.8	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.9	-44.9	177.1	175.4	0	0	0	0	110.7	F441 Q442 M447 W449 L450 F476 W479 F516 W537	F441-V445 HydrophobicContact CD1-CG2 4.09Å; F441-V445 HydrophobicContact CE1-CG2 3.79Å; F441-V445 HydrophobicContact CZ-CG2 4.46Å; F441-V445 WeakPolarHBondContact O-CG2 3.38Å; F441-V445 PolarHBondContact O-N 3.1Å; F441-V445 VanDerWaalsContact O-N 3.1Å; Q442-V445 PolarHBondContact O-N 2.88Å; V445-M447 PolarHBondContact O-N 3.39Å; V445-W449 HydrophobicContact CG1-CB 4.46Å; V445-W449 VanDerWaalsContact O-CB 3.32Å; V445-W449 WeakPolarHBondContact O-CB 3.38Å; V445-W449 PolarHBondContact O-N 3.12Å; V445-W449 VanDerWaalsContact O-N 3.15Å; V445-L450 HydrophobicContact CG1-CD1 4.46Å; V445-L450 PolarHBondContact O-N 2.88Å; V445-L450 VanDerWaalsContact O-N 3.08Å; V445-F476 HydrophobicContact CG1-CE2 4.15Å; V445-F476 HydrophobicContact CG1-CZ 3.83Å; V445-F476 HydrophobicContact CG2-CE2 4.28Å; V445-F476 HydrophobicContact CG2-CZ 4.11Å; V445-W479 HydrophobicContact CG2-CH2 3.99Å; V445-W479 HydrophobicContact CG2-CZ3 3.9Å; V445-F516 HydrophobicContact CG1-CE1 3.82Å; V445-F516 HydrophobicContact CG1-CZ 4.12Å; V445-W537 HydrophobicContact CB-CH2 3.98Å; V445-W537 HydrophobicContact CB-CZ2 3.95Å; V445-W537 HydrophobicContact CG1-CH2 3.94Å; V445-W537 HydrophobicContact CG1-CZ2 3.82Å; V445-W537 HydrophobicContact CG2-CH2 4.31Å
446	E	98.3	Very high	98.1	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.033	5%	0.05	C	C	.	.	I	π-helix	trans	-59.8	-43.7	177.4	-74.4	-81.9	-177.1	0	0	112.3	V157 Q442 V443 L450 D451 W537	V157-E446 HydrophobicContact CG1-CB 4.47Å; V157-E446 HydrophobicContact CG1-CG 3.72Å; V157-E446 HydrophobicContact CG2-CG 4.31Å; Q442-E446 WeakPolarHBondContact O-CB 3.47Å; Q442-E446 WeakPolarHBondContact O-CG 3.37Å; Q442-E446 PolarHBondContact O-N 3.14Å; V443-E446 PolarHBondContact O-N 3.32Å; E446-L450 HydrophobicContact CG-CD1 4.34Å; E446-L450 WeakPolarHBondContact O-CB 3.35Å; E446-L450 PolarHBondContact O-N 2.95Å; E446-D451 WeakPolarHBondContact O-CB 3.1Å; E446-D451 VanDerWaalsContact O-CG 3.31Å; E446-D451 PolarHBondContact O-N 2.78Å; E446-W537 HydrophobicContact CG-CZ2 4.41Å; E446-W537 PolarHBondContact OE1-NE1 2.8Å
447	M	97.4	Very high	97.9	Very high	14 Å²	14	10.4 Å²	10.4	7%	0.069	5%	0.051	C	C	.	.	I	π-helix	trans	-77	-62.2	177.7	-71.2	-172.9	62.1	0	0	113.3	R160 F161 E164 V443 V445 W449 F452	R160-M447 HydrophobicContact CG-CG 4.11Å; R160-M447 HydrophobicContact CG-SD 4.47Å; F161-M447 HydrophobicContact CD2-CE 4.38Å; E164-M447 HydrophobicContact CB-SD 4.12Å; E164-M447 HydrophobicContact CG-SD 3.7Å; V443-M447 HydrophobicContact CG1-SD 4.29Å; V443-M447 WeakPolarHBondContact O-CB 3.39Å; V443-M447 PolarHBondContact O-N 3.01Å; V445-M447 PolarHBondContact O-N 3.39Å; M447-W449 VanDerWaalsContact C-N 3.35Å; M447-W449 PolarHBondContact O-N 2.75Å; M447-F452 WeakPolarHBondContact O-CD2 3.32Å; M447-F452 PolarHBondContact O-N 3.2Å
448	E	98.4	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-72.5	-29.6	-167.2	-63.6	-56.9	152.8	0	0	113.1	R234 P421 V424 A425 K428 L444	R234-E448 IonicContact CZ-OE2 2.73Å; R234-E448 PolarHBondContact NH1-O 2.96Å; R234-E448 IonicContact NH1-OE2 3.76Å; R234-E448 PolarHBondContact NH1-OE2 2.74Å; P421-E448 VanDerWaalsContact CB-O 3.32Å; P421-E448 WeakPolarHBondContact CB-O 3.34Å; V424-E448 HydrophobicContact CG1-CG 4.38Å; V424-E448 WeakPolarHBondContact CG1-OE2 3.33Å; A425-E448 HydrophobicContact CB-CB 4.09Å; A425-E448 HydrophobicContact CB-CG 4.22Å; K428-E448 HydrophobicContact CD-CG 4.21Å; K428-E448 WeakPolarHBondContact CD-OE1 3.43Å; K428-E448 IonicContact NZ-OE1 2.93Å; K428-E448 PolarHBondContact NZ-OE1 3.03Å; L444-E448 HydrophobicContact CD1-CG 3.85Å; L444-E448 WeakPolarHBondContact O-CB 3.45Å; L444-E448 PolarHBondContact O-N 3.36Å
449	W	98.7	Very high	97.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-102.6	-50.2	-177.4	-66.8	83.4	0	0	0	112.3	P421 Q422 V445 M447 H454 F456 V475 F476 W479	P421-W449 HydrophobicContact CB-CD2 4.18Å; P421-W449 HydrophobicContact CB-CZ2 4.4Å; P421-W449 HydrophobicContact CG-CE3 4.45Å; P421-W449 HydrophobicContact CG-CZ3 4.47Å; Q422-W449 HydrophobicContact CB-CZ2 4.45Å; Q422-W449 HydrophobicContact CG-CH2 3.55Å; Q422-W449 HydrophobicContact CG-CZ2 3.9Å; V445-W449 HydrophobicContact CG1-CB 4.46Å; V445-W449 VanDerWaalsContact O-CB 3.32Å; V445-W449 WeakPolarHBondContact O-CB 3.38Å; V445-W449 PolarHBondContact O-N 3.12Å; V445-W449 VanDerWaalsContact O-N 3.15Å; M447-W449 VanDerWaalsContact C-N 3.35Å; M447-W449 PolarHBondContact O-N 2.75Å; W449-H454 HydrophobicContact CB-CB 4.46Å; W449-H454 HydrophobicContact CE3-CB 3.79Å; W449-H454 AromaticContact CE3-CD2 3.64Å; W449-H454 AromaticContact CE3-CG 3.5Å; W449-H454 AromaticContact CE3-ND1 3.97Å; W449-H454 HydrophobicContact CZ3-CB 4.48Å; W449-H454 AromaticContact CZ3-CD2 3.82Å; W449-H454 AromaticContact CZ3-CE1 3.85Å; W449-H454 AromaticContact CZ3-CG 3.77Å; W449-H454 AromaticContact CZ3-ND1 3.79Å; W449-H454 AromaticContact CZ3-NE2 3.86Å; W449-H454 VanDerWaalsContact O-CB 3.22Å; W449-H454 WeakPolarHBondContact O-CB 3.31Å; W449-H454 PolarHBondContact O-N 3.49Å; W449-F456 HydrophobicContact CB-CE2 3.93Å; W449-F456 HydrophobicContact CB-CZ 4.03Å; W449-F456 HydrophobicContact CE3-CZ 4.17Å; W449-V475 HydrophobicContact CH2-CG1 4.12Å; W449-V475 HydrophobicContact CZ3-CG1 4.1Å; W449-F476 AromaticContact CD2-CD2 3.53Å; W449-F476 HydrophobicContact CD2-CD2 3.53Å; W449-F476 AromaticContact CD2-CE2 3.87Å; W449-F476 HydrophobicContact CD2-CE2 3.87Å; W449-F476 AromaticContact CE2-CD2 3.73Å; W449-F476 HydrophobicContact CE3-CB 4.29Å; W449-F476 AromaticContact CE3-CD2 3.57Å; W449-F476 HydrophobicContact CE3-CD2 3.57Å; W449-F476 HydrophobicContact CE3-CE2 4.32Å; W449-F476 HydrophobicContact CE3-CG 4.33Å; W449-F476 HydrophobicContact CG-CD2 4.12Å; W449-F476 AromaticContact CG-CE2 3.98Å; W449-F476 HydrophobicContact CG-CE2 3.98Å; W449-F476 HydrophobicContact CH2-CB 4.37Å; W449-F476 AromaticContact CH2-CD2 3.99Å; W449-F476 HydrophobicContact CH2-CD2 3.99Å; W449-F476 AromaticContact CZ2-CD2 3.98Å; W449-F476 HydrophobicContact CZ2-CD2 3.98Å; W449-F476 HydrophobicContact CZ3-CB 3.93Å; W449-F476 AromaticContact CZ3-CD2 3.8Å; W449-F476 HydrophobicContact CZ3-CD2 3.8Å; W449-F476 HydrophobicContact CZ3-CG 4.35Å; W449-W479 AromaticContact CE2-CD2 3.98Å; W449-W479 HydrophobicContact CH2-CB 3.87Å; W449-W479 HydrophobicContact CH2-CG 4.26Å; W449-W479 HydrophobicContact CZ2-CB 3.54Å; W449-W479 AromaticContact CZ2-CD1 3.89Å; W449-W479 AromaticContact CZ2-CD2 3.73Å; W449-W479 HydrophobicContact CZ2-CD2 3.73Å; W449-W479 HydrophobicContact CZ2-CE3 4.18Å; W449-W479 AromaticContact CZ2-CG 3.42Å; W449-W479 HydrophobicContact CZ2-CG 3.42Å; W449-W479 VanDerWaalsContact CZ2-CG 3.42Å; W449-W479 AromaticContact NE1-CD2 3.8Å; W449-W479 AromaticContact NE1-CE2 3.85Å; W449-W479 AromaticContact NE1-CE3 3.91Å
450	L	98.3	Very high	97.5	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.036	C	C	.	.	I	π-helix	trans	-82.1	-53.3	-172.7	-66.7	169.5	0	0	0	112.5	V445 E446 G453 F456 T515 F516 R524	V445-L450 HydrophobicContact CG1-CD1 4.46Å; V445-L450 PolarHBondContact O-N 2.88Å; V445-L450 VanDerWaalsContact O-N 3.08Å; E446-L450 HydrophobicContact CG-CD1 4.34Å; E446-L450 WeakPolarHBondContact O-CB 3.35Å; E446-L450 PolarHBondContact O-N 2.95Å; L450-G453 PolarHBondContact O-N 3.26Å; L450-F456 HydrophobicContact CD2-CD2 3.63Å; L450-F456 HydrophobicContact CD2-CE2 3.5Å; L450-F456 VanDerWaalsContact CD2-CE2 3.5Å; L450-F456 HydrophobicContact CD2-CZ 4.4Å; L450-F456 HydrophobicContact CG-CE2 4.14Å; L450-T515 HydrophobicContact CD1-CG2 3.7Å; L450-T515 WeakPolarHBondContact CD1-O 3.45Å; L450-T515 VanDerWaalsContact CD2-O 3.23Å; L450-T515 WeakPolarHBondContact CD2-O 3.24Å; L450-F516 HydrophobicContact CD1-CE1 4.38Å; L450-F516 HydrophobicContact CD2-CD1 4.1Å; L450-R524 PolarHBondContact O-NH2 2.87Å
451	D	97.6	Very high	97.1	Very high	19 Å²	19	7.4 Å²	7.4	10%	0.102	4%	0.038	C	C	.	.	I	π-helix	trans	-67.9	-44.9	-178.3	-73.3	-31.5	0	0	0	112.9	R160 Y191 P192 E446 G453	R160-D451 IonicContact CZ-OD1 3.48Å; R160-D451 IonicContact CZ-OD2 3.76Å; R160-D451 VanDerWaalsContact CZ-OD2 3.24Å; R160-D451 IonicContact NE-OD1 3.67Å; R160-D451 IonicContact NE-OD2 3.8Å; R160-D451 PolarHBondContact NE-OD2 2.85Å; R160-D451 IonicContact NH2-OD1 3.7Å; R160-D451 PolarHBondContact NH2-OD1 3.09Å; R160-D451 IonicContact NH2-OD2 2.71Å; R160-D451 PolarHBondContact NH2-OD2 3Å; Y191-D451 CarbonylContact C-O 3.58Å; P192-D451 HydrophobicContact CB-CB 4.17Å; E446-D451 WeakPolarHBondContact O-CB 3.1Å; E446-D451 VanDerWaalsContact O-CG 3.31Å; E446-D451 PolarHBondContact O-N 2.78Å; D451-G453 PolarHBondContact O-N 2.87Å; D451-G453 VanDerWaalsContact O-N 3.15Å
452	F	98.4	Very high	96.4	Very high	8 Å²	8	7.5 Å²	7.5	4%	0.035	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	12.3	174.2	-84.7	-83	0	0	0	114.1	S190 Y191 P192 L195 R217 A220 V222 R234 M447	S190-F452 CarbonylContact O-C 3.54Å; S190-F452 VanDerWaalsContact O-O 3.13Å; Y191-F452 AromaticContact CD1-CD1 3.64Å; Y191-F452 HydrophobicContact CD1-CD1 3.64Å; Y191-F452 AromaticContact CD1-CE1 3.96Å; Y191-F452 HydrophobicContact CD1-CE1 3.96Å; Y191-F452 HydrophobicContact CD2-CE1 4.12Å; Y191-F452 AromaticContact CE1-CD1 3.53Å; Y191-F452 HydrophobicContact CE1-CD1 3.53Å; Y191-F452 AromaticContact CE1-CE1 3.78Å; Y191-F452 HydrophobicContact CE1-CE1 3.78Å; Y191-F452 AromaticContact CE2-CE1 3.95Å; Y191-F452 HydrophobicContact CE2-CE1 3.95Å; Y191-F452 HydrophobicContact CG-CD1 4.19Å; Y191-F452 HydrophobicContact CG-CE1 4.11Å; Y191-F452 AromaticContact CZ-CD1 4Å; Y191-F452 AromaticContact CZ-CE1 3.76Å; P192-F452 HydrophobicContact CG-CD2 4.16Å; P192-F452 HydrophobicContact CG-CE1 4.24Å; P192-F452 HydrophobicContact CG-CE2 3.73Å; P192-F452 HydrophobicContact CG-CZ 3.77Å; L195-F452 HydrophobicContact CD2-CZ 4.43Å; R217-F452 PolarHBondContact NH1-O 3.4Å; R217-F452 PolarHBondContact NH2-O 3Å; A220-F452 HydrophobicContact CB-CE1 4.37Å; A220-F452 HydrophobicContact CB-CZ 4.4Å; V222-F452 HydrophobicContact CG1-CD2 4.36Å; V222-F452 HydrophobicContact CG1-CE1 4.25Å; V222-F452 HydrophobicContact CG1-CE2 3.44Å; V222-F452 VanDerWaalsContact CG1-CE2 3.44Å; V222-F452 HydrophobicContact CG1-CZ 3.37Å; R234-F452 HydrophobicContact CG-CD1 4.33Å; R234-F452 HydrophobicContact CG-CE1 4.14Å; M447-F452 WeakPolarHBondContact O-CD2 3.32Å; M447-F452 PolarHBondContact O-N 3.2Å
453	G	98	Very high	95.2	Very high	1 Å²	1	8 Å²	8	1%	0.01	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	48.3	160.9	0	0	0	0	0	115.3	S190 W417 L450 D451 K455 N519	S190-G453 WeakPolarHBondContact O-CA 3.22Å; S190-G453 PolarHBondContact O-N 3.36Å; W417-G453 WeakPolarHBondContact CB-O 3.23Å; L450-G453 PolarHBondContact O-N 3.26Å; D451-G453 PolarHBondContact O-N 2.87Å; D451-G453 VanDerWaalsContact O-N 3.15Å; G453-K455 PolarHBondContact O-N 3.07Å; G453-N519 CarbonylContact C-O 3.59Å; G453-N519 WeakPolarHBondContact CA-O 3.32Å
454	H	98.5	Very high	94	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.058	C	C	.	.			trans	-64.5	128.9	159.7	-175.9	65.6	0	0	0	109.4	W417 D418 W449 F456 N519	W417-H454 PolarHBondContact O-ND1 2.83Å; D418-H454 IonicContact OD1-CE1 3.9Å; D418-H454 PolarHBondContact OD1-CE1 3.22Å; D418-H454 VanDerWaalsContact OD1-CE1 3.24Å; D418-H454 IonicContact OD1-ND1 3.12Å; W449-H454 HydrophobicContact CB-CB 4.46Å; W449-H454 HydrophobicContact CE3-CB 3.79Å; W449-H454 AromaticContact CE3-CD2 3.64Å; W449-H454 AromaticContact CE3-CG 3.5Å; W449-H454 AromaticContact CE3-ND1 3.97Å; W449-H454 HydrophobicContact CZ3-CB 4.48Å; W449-H454 AromaticContact CZ3-CD2 3.82Å; W449-H454 AromaticContact CZ3-CE1 3.85Å; W449-H454 AromaticContact CZ3-CG 3.77Å; W449-H454 AromaticContact CZ3-ND1 3.79Å; W449-H454 AromaticContact CZ3-NE2 3.86Å; W449-H454 VanDerWaalsContact O-CB 3.22Å; W449-H454 WeakPolarHBondContact O-CB 3.31Å; W449-H454 PolarHBondContact O-N 3.49Å; H454-F456 HydrophobicContact CB-CD2 4.17Å; H454-F456 HydrophobicContact CB-CE2 3.94Å; H454-F456 AromaticContact CD2-CD2 3.74Å; H454-F456 AromaticContact CD2-CE1 3.98Å; H454-F456 AromaticContact CD2-CE2 3.7Å; H454-F456 AromaticContact CD2-CG 3.9Å; H454-F456 AromaticContact CD2-CZ 3.82Å; H454-F456 WeakPolarHBondContact O-CD2 3.36Å; H454-F456 PolarHBondContact O-N 3.43Å; H454-N519 CarbonylContact C-O 3.44Å; H454-N519 VanDerWaalsContact O-O 3.08Å
455	K	96.9	Very high	92.1	Very high	42 Å²	42	17.2 Å²	17.2	18%	0.183	9%	0.09	C	C	.	.			trans	-73	62.9	-174.9	-67.1	176.2	136.1	-134.7	0	113	W417 G453 A457 D458 R459 E471 N519	W417-K455 HydrophobicContact CD2-CD 4.31Å; W417-K455 HydrophobicContact CD2-CG 4.37Å; W417-K455 HydrophobicContact CH2-CD 4.47Å; W417-K455 HydrophobicContact CZ2-CD 3.81Å; G453-K455 PolarHBondContact O-N 3.07Å; K455-A457 PolarHBondContact O-N 2.91Å; K455-D458 HydrophobicContact CB-CB 4.08Å; K455-D458 WeakPolarHBondContact CD-OD2 3.22Å; K455-D458 WeakPolarHBondContact CE-OD2 3.45Å; K455-D458 IonicContact NZ-OD2 3.47Å; K455-D458 PolarHBondContact NZ-OD2 3Å; K455-D458 PolarHBondContact O-N 3.26Å; K455-R459 HydrophobicContact CB-CG 4.16Å; K455-R459 WeakPolarHBondContact O-CB 3.4Å; K455-R459 WeakPolarHBondContact O-CG 3.49Å; K455-R459 PolarHBondContact O-N 2.76Å; K455-E471 IonicContact NZ-OE2 3.25Å; K455-E471 PolarHBondContact NZ-OE2 2.79Å; K455-N519 WeakPolarHBondContact CA-OD1 3.35Å; K455-N519 HydrophobicContact CB-CB 4.24Å; K455-N519 WeakPolarHBondContact CB-OD1 3.46Å; K455-N519 HydrophobicContact CG-CB 4.23Å; K455-N519 PolarHBondContact O-OD1 3.12Å
456	F	97.2	Very high	90.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56	-46.5	-175.5	-81.1	-84.1	0	0	0	112.9	W449 L450 H454 D458 R459 C460 F476 T508 F516	W449-F456 HydrophobicContact CB-CE2 3.93Å; W449-F456 HydrophobicContact CB-CZ 4.03Å; W449-F456 HydrophobicContact CE3-CZ 4.17Å; L450-F456 HydrophobicContact CD2-CD2 3.63Å; L450-F456 HydrophobicContact CD2-CE2 3.5Å; L450-F456 VanDerWaalsContact CD2-CE2 3.5Å; L450-F456 HydrophobicContact CD2-CZ 4.4Å; L450-F456 HydrophobicContact CG-CE2 4.14Å; H454-F456 HydrophobicContact CB-CD2 4.17Å; H454-F456 HydrophobicContact CB-CE2 3.94Å; H454-F456 AromaticContact CD2-CD2 3.74Å; H454-F456 AromaticContact CD2-CE1 3.98Å; H454-F456 AromaticContact CD2-CE2 3.7Å; H454-F456 AromaticContact CD2-CG 3.9Å; H454-F456 AromaticContact CD2-CZ 3.82Å; H454-F456 WeakPolarHBondContact O-CD2 3.36Å; H454-F456 PolarHBondContact O-N 3.43Å; F456-D458 VanDerWaalsContact C-N 3.35Å; F456-D458 PolarHBondContact O-N 3.45Å; F456-R459 PolarHBondContact O-N 2.87Å; F456-C460 WeakPolarHBondContact O-CB 3.4Å; F456-C460 PolarHBondContact O-N 3.48Å; F456-C460 PolarHBondContact O-SG 3.03Å; F456-F476 HydrophobicContact CE1-CB 3.89Å; F456-F476 AromaticContact CE1-CD1 3.69Å; F456-F476 HydrophobicContact CE1-CD1 3.69Å; F456-F476 HydrophobicContact CE1-CD2 4.26Å; F456-F476 HydrophobicContact CE1-CE1 4.22Å; F456-F476 AromaticContact CE1-CG 3.7Å; F456-F476 HydrophobicContact CE1-CG 3.7Å; F456-F476 HydrophobicContact CZ-CB 4.39Å; F456-F476 HydrophobicContact CZ-CD1 4.2Å; F456-F476 HydrophobicContact CZ-CD2 4.05Å; F456-F476 HydrophobicContact CZ-CE1 4.45Å; F456-F476 HydrophobicContact CZ-CE2 4.33Å; F456-F476 AromaticContact CZ-CG 3.98Å; F456-F476 HydrophobicContact CZ-CG 3.98Å; F456-T508 HydrophobicContact CD1-CG2 4.28Å; F456-T508 HydrophobicContact CE1-CG2 4.27Å; F456-F516 WeakPolarHBondContact CB-O 3.37Å; F456-F516 HydrophobicContact CD1-CB 4.07Å; F456-F516 AromaticContact CD1-CD1 3.74Å; F456-F516 HydrophobicContact CD1-CD1 3.74Å; F456-F516 HydrophobicContact CD1-CG 4.25Å; F456-F516 HydrophobicContact CD2-CD1 4.3Å; F456-F516 AromaticContact CE1-CD1 3.38Å; F456-F516 HydrophobicContact CE1-CD1 3.38Å; F456-F516 AromaticContact CE1-CE1 3.9Å; F456-F516 HydrophobicContact CE1-CE1 3.9Å; F456-F516 HydrophobicContact CE1-CG 4.22Å; F456-F516 AromaticContact CE2-CD1 3.98Å; F456-F516 HydrophobicContact CE2-CD1 3.98Å; F456-F516 HydrophobicContact CE2-CE1 4.43Å; F456-F516 HydrophobicContact CG-CB 4.32Å; F456-F516 HydrophobicContact CG-CD1 4.19Å; F456-F516 AromaticContact CZ-CD1 3.52Å; F456-F516 HydrophobicContact CZ-CD1 3.52Å; F456-F516 AromaticContact CZ-CE1 3.77Å; F456-F516 HydrophobicContact CZ-CE1 3.77Å
457	A	94.4	Very high	89.3	Confident	3 Å²	3	22.5 Å²	22.5	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-37.9	-178.9	0	0	0	0	0	113.7	K455 G461 H462 G463 C518 N519	K455-A457 PolarHBondContact O-N 2.91Å; A457-G461 WeakPolarHBondContact O-CA 3.41Å; A457-G461 PolarHBondContact O-N 2.84Å; A457-G461 VanDerWaalsContact O-N 3.11Å; A457-H462 VanDerWaalsContact CA-CE1 3.49Å; A457-H462 WeakPolarHBondContact CA-CE1 3.33Å; A457-H462 PolarHBondContact O-N 3.1Å; A457-H462 VanDerWaalsContact O-N 3.08Å; A457-G463 PolarHBondContact O-N 3.24Å; A457-C518 PolarHBondContact N-O 3.07Å; A457-N519 PolarHBondContact N-OD1 2.87Å; A457-N519 VanDerWaalsContact N-OD1 3.17Å
458	D	94.2	Very high	88.5	Confident	38 Å²	38	26 Å²	26	20%	0.203	14%	0.139	C	C	.	.	H	α-helix	trans	-72.8	-51.2	174.5	-55.8	-14	0	0	0	110.9	K455 F456 C460 G461 E471 N519	K455-D458 HydrophobicContact CB-CB 4.08Å; K455-D458 WeakPolarHBondContact CD-OD2 3.22Å; K455-D458 WeakPolarHBondContact CE-OD2 3.45Å; K455-D458 IonicContact NZ-OD2 3.47Å; K455-D458 PolarHBondContact NZ-OD2 3Å; K455-D458 PolarHBondContact O-N 3.26Å; F456-D458 VanDerWaalsContact C-N 3.35Å; F456-D458 PolarHBondContact O-N 3.45Å; D458-C460 VanDerWaalsContact C-N 3.34Å; D458-C460 PolarHBondContact O-N 2.87Å; D458-G461 PolarHBondContact O-N 3.1Å; D458-E471 HydrophobicContact CB-CB 4.13Å; D458-N519 VanDerWaalsContact CG-ND2 3.27Å; D458-N519 PolarHBondContact N-OD1 3.46Å; D458-N519 VanDerWaalsContact N-OD1 3.08Å; D458-N519 PolarHBondContact OD1-ND2 3.48Å; D458-N519 PolarHBondContact OD1-OD1 3.33Å; D458-N519 PolarHBondContact OD2-ND2 2.72Å
459	R	95.9	Very high	87.9	Confident	9 Å²	9	30.9 Å²	30.9	3%	0.034	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-35	-173.2	-66.7	-78.6	172.7	-82.2	-1.8	112.6	D418 K455 F456 E471 R472 C473	D418-R459 IonicContact OD1-CZ 3.4Å; D418-R459 IonicContact OD1-NE 3.66Å; D418-R459 PolarHBondContact OD1-NE 3.37Å; D418-R459 IonicContact OD1-NH2 2.85Å; D418-R459 IonicContact OD2-CZ 3.47Å; D418-R459 IonicContact OD2-NE 3.07Å; D418-R459 PolarHBondContact OD2-NE 2.87Å; D418-R459 IonicContact OD2-NH2 3.69Å; D418-R459 PolarHBondContact OD2-NH2 3.35Å; K455-R459 HydrophobicContact CB-CG 4.16Å; K455-R459 WeakPolarHBondContact O-CB 3.4Å; K455-R459 WeakPolarHBondContact O-CG 3.49Å; K455-R459 PolarHBondContact O-N 2.76Å; F456-R459 PolarHBondContact O-N 2.87Å; R459-E471 WeakPolarHBondContact CD-O 3.41Å; R459-E471 IonicContact CZ-OE2 3.55Å; R459-E471 PolarHBondContact NH1-O 2.77Å; R459-E471 IonicContact NH1-OE1 2.72Å; R459-E471 IonicContact NH1-OE2 3.47Å; R459-E471 PolarHBondContact NH1-OE2 2.65Å; R459-E471 IonicContact NH2-OE2 2.75Å; R459-E471 PolarHBondContact NH2-OE2 2.72Å; R459-R472 CarbonylContact O-C 3.59Å; R459-R472 WeakPolarHBondContact O-CA 3.28Å; R459-C473 PolarHBondContact O-N 2.74Å
460	C	93.8	Very high	87.4	Confident	5 Å²	5	35 Å²	35	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-98.5	-7.5	179.9	-56.1	0	0	0	0	113	K92 F456 D458 H462 Y509	K92-C460 WeakPolarHBondContact CD-O 3.29Å; K92-C460 WeakPolarHBondContact CE-O 3.31Å; K92-C460 PolarHBondContact NZ-O 3.05Å; F456-C460 WeakPolarHBondContact O-CB 3.4Å; F456-C460 PolarHBondContact O-N 3.48Å; F456-C460 PolarHBondContact O-SG 3.03Å; D458-C460 VanDerWaalsContact C-N 3.34Å; D458-C460 PolarHBondContact O-N 2.87Å; C460-H462 VanDerWaalsContact CB-CD2 3.49Å; C460-H462 WeakPolarHBondContact CB-CD2 3.43Å; C460-Y509 HydrophobicContact CB-CD1 3.84Å; C460-Y509 HydrophobicContact CB-CE1 3.7Å
461	G	89.5	Confident	87	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.031	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	59.5	175.9	0	0	0	0	0	113.1	K92 A457 D458	K92-G461 PolarHBondContact NZ-O 2.84Å; A457-G461 WeakPolarHBondContact O-CA 3.41Å; A457-G461 PolarHBondContact O-N 2.84Å; A457-G461 VanDerWaalsContact O-N 3.11Å; D458-G461 PolarHBondContact O-N 3.1Å
462	H	83.6	Confident	86.8	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.014	20%	0.2	C	C	.	.			trans	-142.4	22.2	172.9	62.6	68.2	0	0	0	112.1	A457 C460 F516	A457-H462 VanDerWaalsContact CA-CE1 3.49Å; A457-H462 WeakPolarHBondContact CA-CE1 3.33Å; A457-H462 PolarHBondContact O-N 3.1Å; A457-H462 VanDerWaalsContact O-N 3.08Å; C460-H462 VanDerWaalsContact CB-CD2 3.49Å; C460-H462 WeakPolarHBondContact CB-CD2 3.43Å; H462-F516 PolarHBondContact CE1-O 3.16Å
463	G	74.4	Confident	86.7	Confident	11 Å²	11	38.4 Å²	38.4	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	-85.6	162.1	172	0	0	0	0	0	113	A457 N465 S466	A457-G463 PolarHBondContact O-N 3.24Å; G463-N465 PolarHBondContact O-N 3.18Å; G463-S466 PolarHBondContact N-OG 3.44Å; G463-S466 VanDerWaalsContact O-CB 3.26Å; G463-S466 WeakPolarHBondContact O-CB 3.23Å; G463-S466 PolarHBondContact O-N 2.98Å; G463-S466 PolarHBondContact O-OG 3.05Å
464	E	72.1	Confident	86.6	Confident	68 Å²	68	38.9 Å²	38.9	32%	0.318	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	125.9	166.8	-62.9	174.8	166.2	0	0	108.8	K123 I124 S466 K527	K123-E464 WeakPolarHBondContact CA-OE1 3.38Å; I124-E464 HydrophobicContact CB-CG 4.37Å; I124-E464 PolarHBondContact N-OE1 3.44Å; E464-S466 VanDerWaalsContact C-N 3.34Å; E464-S466 PolarHBondContact O-N 3.35Å; E464-K527 IonicContact OE1-NZ 2.78Å; E464-K527 PolarHBondContact OE1-NZ 3.2Å; E464-K527 IonicContact OE2-NZ 3.38Å; E464-K527 PolarHBondContact OE2-NZ 2.83Å
465	N	60.5	Low	86.6	Confident	128 Å²	128	39 Å²	39	68%	0.684	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	37.7	-173.8	-39.6	-63.9	0	0	0	114.4	G463 D467	G463-N465 PolarHBondContact O-N 3.18Å; N465-D467 PolarHBondContact O-N 2.88Å
466	S	69.8	Low	86.7	Confident	12 Å²	12	37.2 Å²	37.2	8%	0.084	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	41.1	176.6	52.3	0	0	0	0	114.3	G463 E464 R472	G463-S466 PolarHBondContact N-OG 3.44Å; G463-S466 VanDerWaalsContact O-CB 3.26Å; G463-S466 WeakPolarHBondContact O-CB 3.23Å; G463-S466 PolarHBondContact O-N 2.98Å; G463-S466 PolarHBondContact O-OG 3.05Å; E464-S466 VanDerWaalsContact C-N 3.34Å; E464-S466 PolarHBondContact O-N 3.35Å; S466-R472 PolarHBondContact O-NH2 2.78Å
467	D	67.3	Low	86.8	Confident	107 Å²	107	37.3 Å²	37.3	57%	0.572	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.9	-176.7	-60.7	-44	0	0	0	112.9	N465 L469	N465-D467 PolarHBondContact O-N 2.88Å; D467-L469 PolarHBondContact O-N 3.1Å
468	D	81.6	Confident	87	Confident	87 Å²	87	37.4 Å²	37.4	47%	0.465	20%	0.197	S	C	.	.			trans	-73.1	96.1	175.3	-173.6	17.8	0	0	0	111.4	N470 E471	D468-N470 PolarHBondContact O-N 2.77Å; D468-N470 VanDerWaalsContact O-N 3.11Å; D468-N470 WeakPolarHBondContact OD1-CB 3.24Å; D468-N470 PolarHBondContact OD1-N 2.78Å; D468-N470 PolarHBondContact OD1-ND2 2.82Å; D468-E471 PolarHBondContact O-N 2.83Å
469	L	84.6	Confident	87.2	Confident	103 Å²	103	35.6 Å²	35.6	54%	0.539	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.7	174.1	-52.6	-176	0	0	0	112.6	R356 D467 R472	R356-L469 PolarHBondContact NH1-O 3.44Å; D467-L469 PolarHBondContact O-N 3.1Å; L469-R472 VanDerWaalsContact CD2-CZ 3.4Å; L469-R472 PolarHBondContact O-N 3.09Å
470	N	88.3	Confident	87.3	Confident	85 Å²	85	35.2 Å²	35.2	46%	0.455	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.2	-179.2	-62.7	-70	0	0	0	114.4	H353 R356 D468 R472	H353-N470 PolarHBondContact CE1-O 2.91Å; H353-N470 PolarHBondContact ND1-O 3.25Å; R356-N470 PolarHBondContact NH1-O 3.14Å; R356-N470 PolarHBondContact NH2-OD1 2.79Å; D468-N470 PolarHBondContact O-N 2.77Å; D468-N470 VanDerWaalsContact O-N 3.11Å; D468-N470 WeakPolarHBondContact OD1-CB 3.24Å; D468-N470 PolarHBondContact OD1-N 2.78Å; D468-N470 PolarHBondContact OD1-ND2 2.82Å; N470-R472 VanDerWaalsContact C-N 3.35Å
471	E	90.9	Very high	87.6	Confident	50 Å²	50	35 Å²	35	23%	0.234	18%	0.184	C	C	.	.	S	Bend	trans	-80.8	-13.7	173.1	-77.6	-69.6	91.7	0	0	113.1	I352 K455 D458 R459 D468 C473	I352-E471 WeakPolarHBondContact CD1-OE1 3.41Å; K455-E471 IonicContact NZ-OE2 3.25Å; K455-E471 PolarHBondContact NZ-OE2 2.79Å; D458-E471 HydrophobicContact CB-CB 4.13Å; R459-E471 WeakPolarHBondContact CD-O 3.41Å; R459-E471 IonicContact CZ-OE2 3.55Å; R459-E471 PolarHBondContact NH1-O 2.77Å; R459-E471 IonicContact NH1-OE1 2.72Å; R459-E471 IonicContact NH1-OE2 3.47Å; R459-E471 PolarHBondContact NH1-OE2 2.65Å; R459-E471 IonicContact NH2-OE2 2.75Å; R459-E471 PolarHBondContact NH2-OE2 2.72Å; D468-E471 PolarHBondContact O-N 2.83Å; E471-C473 PolarHBondContact O-N 2.68Å
472	R	93	Very high	88	Confident	45 Å²	45	34.8 Å²	34.8	17%	0.17	18%	0.183	C	C	.	.			trans	-71.3	126.8	179.3	-60.9	-177	-176.3	-166	0	111.3	R356 R459 S466 L469 N470	R356-R472 WeakPolarHBondContact CD-O 3.4Å; R356-R472 PolarHBondContact NH1-O 2.66Å; R459-R472 CarbonylContact O-C 3.59Å; R459-R472 WeakPolarHBondContact O-CA 3.28Å; S466-R472 PolarHBondContact O-NH2 2.78Å; L469-R472 VanDerWaalsContact CD2-CZ 3.4Å; L469-R472 PolarHBondContact O-N 3.09Å; N470-R472 VanDerWaalsContact C-N 3.35Å
473	C	95.8	Very high	88.8	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.034	18%	0.182	C	C	.	.			trans	-164.3	136.8	-178	-177.8	0	0	0	0	112.3	I352 R459 E471 V475	I352-C473 HydrophobicContact CB-CB 3.81Å; I352-C473 HydrophobicContact CG2-CB 4.2Å; I352-C473 PolarHBondContact O-SG 3.08Å; R459-C473 PolarHBondContact O-N 2.74Å; E471-C473 PolarHBondContact O-N 2.68Å; C473-V475 HydrophobicContact CB-CG2 3.93Å; C473-V475 PolarHBondContact O-N 2.91Å; C473-V475 WeakPolarHBondContact SG-CG2 3.48Å
474	P	96.9	Very high	89.9	Confident	11 Å²	11	34.5 Å²	34.5	7%	0.071	18%	0.178	C	C	.	.			trans	-76.9	46.9	-177.4	34.6	-39.9	0	0	0	114.3	I355 F359 W384 F476 L477 Q478	I355-P474 HydrophobicContact CG2-CG 4.25Å; F359-P474 HydrophobicContact CB-CG 3.85Å; F359-P474 HydrophobicContact CD1-CB 4.29Å; F359-P474 HydrophobicContact CD1-CG 3.8Å; F359-P474 HydrophobicContact CD2-CG 4.15Å; F359-P474 HydrophobicContact CE1-CB 4.31Å; F359-P474 HydrophobicContact CE1-CG 4.32Å; F359-P474 HydrophobicContact CG-CB 4.43Å; F359-P474 HydrophobicContact CG-CG 3.69Å; F359-P474 HydrophobicContact CZ-CB 4.49Å; W384-P474 HydrophobicContact CH2-CG 4.3Å; W384-P474 HydrophobicContact CZ3-CG 4.36Å; P474-F476 PolarHBondContact O-N 3.14Å; P474-L477 HydrophobicContact CB-CB 4.05Å; P474-L477 HydrophobicContact CB-CD2 4.09Å; P474-L477 HydrophobicContact CB-CG 4.42Å; P474-L477 PolarHBondContact O-N 3.43Å; P474-Q478 WeakPolarHBondContact O-CB 3.29Å; P474-Q478 PolarHBondContact O-N 3.41Å
475	V	98.5	Very high	91.2	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-42.7	-172.4	-176.7	0	0	0	0	112.8	I352 D418 Q422 W449 C473 W479	I352-V475 HydrophobicContact CG2-CG2 4.11Å; D418-V475 HydrophobicContact CB-CG1 4.24Å; Q422-V475 HydrophobicContact CG-CG1 4.06Å; Q422-V475 PolarHBondContact NE2-O 2.92Å; W449-V475 HydrophobicContact CH2-CG1 4.12Å; W449-V475 HydrophobicContact CZ3-CG1 4.1Å; C473-V475 HydrophobicContact CB-CG2 3.93Å; C473-V475 PolarHBondContact O-N 2.91Å; C473-V475 WeakPolarHBondContact SG-CG2 3.48Å; V475-W479 PolarHBondContact O-N 2.88Å
476	F	98.8	Very high	93	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.013	13%	0.131	C	C	.	.	H	α-helix	trans	-72.7	-38.2	176.4	-171.9	-123.3	0	0	0	112.3	V445 W449 F456 P474 Q478 W479 L480 L504 T508 F516	V445-F476 HydrophobicContact CG1-CE2 4.15Å; V445-F476 HydrophobicContact CG1-CZ 3.83Å; V445-F476 HydrophobicContact CG2-CE2 4.28Å; V445-F476 HydrophobicContact CG2-CZ 4.11Å; W449-F476 AromaticContact CD2-CD2 3.53Å; W449-F476 HydrophobicContact CD2-CD2 3.53Å; W449-F476 AromaticContact CD2-CE2 3.87Å; W449-F476 HydrophobicContact CD2-CE2 3.87Å; W449-F476 AromaticContact CE2-CD2 3.73Å; W449-F476 HydrophobicContact CE3-CB 4.29Å; W449-F476 AromaticContact CE3-CD2 3.57Å; W449-F476 HydrophobicContact CE3-CD2 3.57Å; W449-F476 HydrophobicContact CE3-CE2 4.32Å; W449-F476 HydrophobicContact CE3-CG 4.33Å; W449-F476 HydrophobicContact CG-CD2 4.12Å; W449-F476 AromaticContact CG-CE2 3.98Å; W449-F476 HydrophobicContact CG-CE2 3.98Å; W449-F476 HydrophobicContact CH2-CB 4.37Å; W449-F476 AromaticContact CH2-CD2 3.99Å; W449-F476 HydrophobicContact CH2-CD2 3.99Å; W449-F476 AromaticContact CZ2-CD2 3.98Å; W449-F476 HydrophobicContact CZ2-CD2 3.98Å; W449-F476 HydrophobicContact CZ3-CB 3.93Å; W449-F476 AromaticContact CZ3-CD2 3.8Å; W449-F476 HydrophobicContact CZ3-CD2 3.8Å; W449-F476 HydrophobicContact CZ3-CG 4.35Å; F456-F476 HydrophobicContact CE1-CB 3.89Å; F456-F476 AromaticContact CE1-CD1 3.69Å; F456-F476 HydrophobicContact CE1-CD1 3.69Å; F456-F476 HydrophobicContact CE1-CD2 4.26Å; F456-F476 HydrophobicContact CE1-CE1 4.22Å; F456-F476 AromaticContact CE1-CG 3.7Å; F456-F476 HydrophobicContact CE1-CG 3.7Å; F456-F476 HydrophobicContact CZ-CB 4.39Å; F456-F476 HydrophobicContact CZ-CD1 4.2Å; F456-F476 HydrophobicContact CZ-CD2 4.05Å; F456-F476 HydrophobicContact CZ-CE1 4.45Å; F456-F476 HydrophobicContact CZ-CE2 4.33Å; F456-F476 AromaticContact CZ-CG 3.98Å; F456-F476 HydrophobicContact CZ-CG 3.98Å; P474-F476 PolarHBondContact O-N 3.14Å; F476-Q478 PolarHBondContact O-N 3.47Å; F476-W479 AromaticContact CD2-CE3 3.84Å; F476-W479 HydrophobicContact CD2-CE3 3.84Å; F476-W479 HydrophobicContact CD2-CZ3 4.39Å; F476-W479 AromaticContact CE2-CE3 3.49Å; F476-W479 HydrophobicContact CE2-CE3 3.49Å; F476-W479 VanDerWaalsContact CE2-CE3 3.49Å; F476-W479 AromaticContact CE2-CZ3 3.58Å; F476-W479 HydrophobicContact CE2-CZ3 3.58Å; F476-W479 HydrophobicContact CZ-CE3 4.31Å; F476-W479 HydrophobicContact CZ-CZ3 4.14Å; F476-W479 WeakPolarHBondContact O-CB 3.47Å; F476-W479 PolarHBondContact O-N 3.36Å; F476-W479 VanDerWaalsContact O-N 3.12Å; F476-L480 HydrophobicContact CD1-CD1 3.9Å; F476-L480 HydrophobicContact CD1-CG 4.44Å; F476-L480 HydrophobicContact CE1-CD1 3.7Å; F476-L480 HydrophobicContact CE1-CG 4.28Å; F476-L480 HydrophobicContact CZ-CD1 4.21Å; F476-L480 HydrophobicContact CZ-CD2 4.29Å; F476-L480 HydrophobicContact CZ-CG 4.37Å; F476-L480 WeakPolarHBondContact O-CG 3.16Å; F476-L480 PolarHBondContact O-N 2.87Å; F476-L504 HydrophobicContact CE1-CG 4.3Å; F476-L504 HydrophobicContact CZ-CD2 4.28Å; F476-T508 HydrophobicContact CD1-CG2 3.99Å; F476-F516 AromaticContact CE1-CE1 3.85Å; F476-F516 HydrophobicContact CE1-CE1 3.85Å; F476-F516 AromaticContact CE1-CZ 3.91Å; F476-F516 HydrophobicContact CE1-CZ 3.91Å; F476-F516 HydrophobicContact CZ-CE1 4.02Å; F476-F516 HydrophobicContact CZ-CZ 4.17Å
477	L	98.6	Very high	94.3	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-40.1	174.5	171.2	55.8	0	0	0	112	F359 P474 W479 L480 D481 V505 Y509 W572 V575 Y576	F359-L477 HydrophobicContact CE1-CD2 4.45Å; F359-L477 HydrophobicContact CE2-CD2 3.9Å; F359-L477 HydrophobicContact CZ-CD2 3.56Å; P474-L477 HydrophobicContact CB-CB 4.05Å; P474-L477 HydrophobicContact CB-CD2 4.09Å; P474-L477 HydrophobicContact CB-CG 4.42Å; P474-L477 PolarHBondContact O-N 3.43Å; L477-W479 VanDerWaalsContact C-N 3.27Å; L477-W479 PolarHBondContact O-N 3.43Å; L477-L480 PolarHBondContact O-N 2.91Å; L477-D481 PolarHBondContact O-N 2.89Å; L477-V505 HydrophobicContact CD1-CB 4.39Å; L477-V505 HydrophobicContact CD1-CG1 3.78Å; L477-V505 HydrophobicContact CD1-CG2 3.63Å; L477-Y509 HydrophobicContact CD2-CE2 4.45Å; L477-W572 HydrophobicContact CD1-CZ3 4.3Å; L477-V575 HydrophobicContact CD1-CG1 4.21Å; L477-Y576 HydrophobicContact CD1-CE1 4.05Å; L477-Y576 HydrophobicContact CD2-CE1 4.19Å; L477-Y576 HydrophobicContact CG-CE1 4.31Å
478	Q	98.7	Very high	95.7	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.028	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-35.9	172.6	-170.4	-169.5	9.3	0	0	112.4	W384 L388 L391 P474 F476 C482	W384-Q478 HydrophobicContact CH2-CB 3.72Å; W384-Q478 HydrophobicContact CH2-CG 3.93Å; W384-Q478 HydrophobicContact CZ2-CB 4.11Å; W384-Q478 HydrophobicContact CZ2-CG 4.18Å; W384-Q478 HydrophobicContact CZ3-CG 4.47Å; L388-Q478 HydrophobicContact CD2-CG 3.8Å; L391-Q478 HydrophobicContact CD2-CG 4.43Å; P474-Q478 WeakPolarHBondContact O-CB 3.29Å; P474-Q478 PolarHBondContact O-N 3.41Å; F476-Q478 PolarHBondContact O-N 3.47Å; Q478-C482 PolarHBondContact O-N 2.93Å; Q478-C482 PolarHBondContact O-SG 2.61Å; Q478-C482 VanDerWaalsContact O-SG 3.38Å
479	W	98.9	Very high	96.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71	-44.8	174.9	179.2	76	0	0	0	111.9	Q422 A425 L429 F441 L444 V445 W449 V475 F476 L477 D481 C482 V483	Q422-W479 HydrophobicContact CG-CB 4.29Å; A425-W479 HydrophobicContact CB-CZ2 3.59Å; L429-W479 HydrophobicContact CD1-CH2 4.35Å; L429-W479 HydrophobicContact CD1-CZ2 3.66Å; F441-W479 HydrophobicContact CE1-CH2 4.14Å; F441-W479 HydrophobicContact CE1-CZ3 4.15Å; F441-W479 AromaticContact CE2-CH2 3.69Å; F441-W479 HydrophobicContact CE2-CH2 3.69Å; F441-W479 HydrophobicContact CE2-CZ2 4.43Å; F441-W479 HydrophobicContact CE2-CZ3 4.3Å; F441-W479 AromaticContact CZ-CH2 3.39Å; F441-W479 HydrophobicContact CZ-CH2 3.39Å; F441-W479 HydrophobicContact CZ-CZ2 4.45Å; F441-W479 AromaticContact CZ-CZ3 3.55Å; F441-W479 HydrophobicContact CZ-CZ3 3.55Å; L444-W479 HydrophobicContact CD2-CH2 4.09Å; L444-W479 HydrophobicContact CD2-CZ2 3.85Å; V445-W479 HydrophobicContact CG2-CH2 3.99Å; V445-W479 HydrophobicContact CG2-CZ3 3.9Å; W449-W479 AromaticContact CE2-CD2 3.98Å; W449-W479 HydrophobicContact CH2-CB 3.87Å; W449-W479 HydrophobicContact CH2-CG 4.26Å; W449-W479 HydrophobicContact CZ2-CB 3.54Å; W449-W479 AromaticContact CZ2-CD1 3.89Å; W449-W479 AromaticContact CZ2-CD2 3.73Å; W449-W479 HydrophobicContact CZ2-CD2 3.73Å; W449-W479 HydrophobicContact CZ2-CE3 4.18Å; W449-W479 AromaticContact CZ2-CG 3.42Å; W449-W479 HydrophobicContact CZ2-CG 3.42Å; W449-W479 VanDerWaalsContact CZ2-CG 3.42Å; W449-W479 AromaticContact NE1-CD2 3.8Å; W449-W479 AromaticContact NE1-CE2 3.85Å; W449-W479 AromaticContact NE1-CE3 3.91Å; V475-W479 PolarHBondContact O-N 2.88Å; F476-W479 AromaticContact CD2-CE3 3.84Å; F476-W479 HydrophobicContact CD2-CE3 3.84Å; F476-W479 HydrophobicContact CD2-CZ3 4.39Å; F476-W479 AromaticContact CE2-CE3 3.49Å; F476-W479 HydrophobicContact CE2-CE3 3.49Å; F476-W479 VanDerWaalsContact CE2-CE3 3.49Å; F476-W479 AromaticContact CE2-CZ3 3.58Å; F476-W479 HydrophobicContact CE2-CZ3 3.58Å; F476-W479 HydrophobicContact CZ-CE3 4.31Å; F476-W479 HydrophobicContact CZ-CZ3 4.14Å; F476-W479 WeakPolarHBondContact O-CB 3.47Å; F476-W479 PolarHBondContact O-N 3.36Å; F476-W479 VanDerWaalsContact O-N 3.12Å; L477-W479 VanDerWaalsContact C-N 3.27Å; L477-W479 PolarHBondContact O-N 3.43Å; W479-D481 VanDerWaalsContact C-N 3.3Å; W479-D481 PolarHBondContact O-N 2.86Å; W479-C482 WeakPolarHBondContact O-CA 3.1Å; W479-C482 VanDerWaalsContact O-CB 3.32Å; W479-C482 WeakPolarHBondContact O-CB 3.49Å; W479-C482 PolarHBondContact O-N 2.93Å; W479-V483 HydrophobicContact CD2-CG2 4.17Å; W479-V483 HydrophobicContact CE3-CG2 4.38Å; W479-V483 HydrophobicContact CH2-CG2 4.22Å; W479-V483 HydrophobicContact CZ2-CG2 3.99Å; W479-V483 HydrophobicContact CZ3-CG2 4.41Å; W479-V483 WeakPolarHBondContact O-CG2 3.41Å; W479-V483 PolarHBondContact O-N 3.09Å
480	L	98.9	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-35.1	176.5	-67.8	176.3	0	0	0	112.4	F441 F476 L477 V483 H484 L501 L504 V505 W572	F441-L480 HydrophobicContact CE1-CD2 4.35Å; F441-L480 HydrophobicContact CZ-CD2 3.99Å; F476-L480 HydrophobicContact CD1-CD1 3.9Å; F476-L480 HydrophobicContact CD1-CG 4.44Å; F476-L480 HydrophobicContact CE1-CD1 3.7Å; F476-L480 HydrophobicContact CE1-CG 4.28Å; F476-L480 HydrophobicContact CZ-CD1 4.21Å; F476-L480 HydrophobicContact CZ-CD2 4.29Å; F476-L480 HydrophobicContact CZ-CG 4.37Å; F476-L480 WeakPolarHBondContact O-CG 3.16Å; F476-L480 PolarHBondContact O-N 2.87Å; L477-L480 PolarHBondContact O-N 2.91Å; L480-V483 PolarHBondContact O-N 3.48Å; L480-H484 PolarHBondContact O-N 3.49Å; L480-L501 HydrophobicContact CD2-CD2 4.1Å; L480-L504 HydrophobicContact CD1-CB 4.4Å; L480-L504 HydrophobicContact CD1-CD2 4.28Å; L480-L504 HydrophobicContact CD1-CG 4.17Å; L480-L504 HydrophobicContact CD2-CD2 3.83Å; L480-V505 HydrophobicContact CB-CG2 4.23Å; L480-V505 HydrophobicContact CD1-CG2 3.61Å; L480-W572 HydrophobicContact CB-CH2 4.22Å; L480-W572 HydrophobicContact CB-CZ3 3.98Å
481	D	98.8	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-46.1	170.2	-168.8	-6.5	0	0	0	110.8	W384 L388 L477 W479 V483 H484 Q485 W572 Y576	W384-D481 PolarHBondContact NE1-OD2 3.01Å; L388-D481 HydrophobicContact CD1-CB 4.41Å; L388-D481 VanDerWaalsContact CD1-OD2 3.26Å; L388-D481 WeakPolarHBondContact CD1-OD2 2.9Å; L388-D481 HydrophobicContact CD2-CB 4.1Å; L477-D481 PolarHBondContact O-N 2.89Å; W479-D481 VanDerWaalsContact C-N 3.3Å; W479-D481 PolarHBondContact O-N 2.86Å; D481-V483 VanDerWaalsContact C-N 3.3Å; D481-V483 PolarHBondContact O-N 3.4Å; D481-H484 CarbonylContact O-C 3.5Å; D481-H484 WeakPolarHBondContact O-CA 3.38Å; D481-H484 WeakPolarHBondContact O-CB 3.41Å; D481-H484 PolarHBondContact O-N 2.73Å; D481-H484 IonicContact OD1-CE1 2.68Å; D481-H484 IonicContact OD1-ND1 3.86Å; D481-H484 PolarHBondContact OD1-ND1 3.28Å; D481-H484 VanDerWaalsContact OD1-ND1 3.12Å; D481-Q485 WeakPolarHBondContact O-CG 3.31Å; D481-Q485 PolarHBondContact O-N 2.81Å; D481-Q485 PolarHBondContact OD1-NE2 3.06Å; D481-W572 HydrophobicContact CB-CE3 3.92Å; D481-W572 HydrophobicContact CB-CZ3 4.41Å; D481-Y576 WeakPolarHBondContact OD2-CE2 3.47Å; D481-Y576 PolarHBondContact OD2-OH 2.88Å
482	C	98.9	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.3	-40.6	173	-67.8	0	0	0	0	112.6	L392 L426 Q478 W479 Q485 L486	L392-C482 HydrophobicContact CD2-CB 4.02Å; L392-C482 HydrophobicContact CG-CB 4.3Å; L426-C482 HydrophobicContact CD1-CB 3.86Å; L426-C482 HydrophobicContact CD2-CB 3.89Å; L426-C482 HydrophobicContact CG-CB 4.49Å; Q478-C482 PolarHBondContact O-N 2.93Å; Q478-C482 PolarHBondContact O-SG 2.61Å; Q478-C482 VanDerWaalsContact O-SG 3.38Å; W479-C482 WeakPolarHBondContact O-CA 3.1Å; W479-C482 VanDerWaalsContact O-CB 3.32Å; W479-C482 WeakPolarHBondContact O-CB 3.49Å; W479-C482 PolarHBondContact O-N 2.93Å; C482-Q485 PolarHBondContact O-N 2.75Å; C482-L486 WeakPolarHBondContact O-CG 3.4Å; C482-L486 PolarHBondContact O-N 2.81Å
483	V	98.9	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-41	173.7	-178.4	0	0	0	0	111.3	L426 L429 F441 W479 L480 D481 L486 Q487 F496 L501	L426-V483 HydrophobicContact CD2-CG2 4.21Å; L429-V483 HydrophobicContact CD1-CG1 4.47Å; L429-V483 HydrophobicContact CD1-CG2 3.66Å; F441-V483 HydrophobicContact CE2-CG1 3.85Å; F441-V483 HydrophobicContact CE2-CG2 4.19Å; F441-V483 HydrophobicContact CZ-CG1 4.28Å; F441-V483 HydrophobicContact CZ-CG2 4.36Å; W479-V483 HydrophobicContact CD2-CG2 4.17Å; W479-V483 HydrophobicContact CE3-CG2 4.38Å; W479-V483 HydrophobicContact CH2-CG2 4.22Å; W479-V483 HydrophobicContact CZ2-CG2 3.99Å; W479-V483 HydrophobicContact CZ3-CG2 4.41Å; W479-V483 WeakPolarHBondContact O-CG2 3.41Å; W479-V483 PolarHBondContact O-N 3.09Å; L480-V483 PolarHBondContact O-N 3.48Å; D481-V483 VanDerWaalsContact C-N 3.3Å; D481-V483 PolarHBondContact O-N 3.4Å; V483-L486 WeakPolarHBondContact O-CB 3.47Å; V483-L486 PolarHBondContact O-N 2.58Å; V483-Q487 PolarHBondContact O-N 3.4Å; V483-F496 HydrophobicContact CG1-CE2 3.9Å; V483-F496 HydrophobicContact CG1-CZ 3.97Å; V483-L501 HydrophobicContact CB-CD1 4.46Å; V483-L501 HydrophobicContact CB-CD2 4.49Å; V483-L501 HydrophobicContact CG1-CD1 4.04Å; V483-L501 HydrophobicContact CG1-CD2 3.99Å
484	H	98.6	Very high	98	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-41.4	172.5	145.6	-98.6	0	0	0	112.1	L480 D481 L486 Q487 R488 L501 W572	L480-H484 PolarHBondContact O-N 3.49Å; D481-H484 CarbonylContact O-C 3.5Å; D481-H484 WeakPolarHBondContact O-CA 3.38Å; D481-H484 WeakPolarHBondContact O-CB 3.41Å; D481-H484 PolarHBondContact O-N 2.73Å; D481-H484 IonicContact OD1-CE1 2.68Å; D481-H484 IonicContact OD1-ND1 3.86Å; D481-H484 PolarHBondContact OD1-ND1 3.28Å; D481-H484 VanDerWaalsContact OD1-ND1 3.12Å; H484-L486 VanDerWaalsContact C-N 3.32Å; H484-L486 PolarHBondContact O-N 3.1Å; H484-Q487 PolarHBondContact O-N 3.23Å; H484-R488 WeakPolarHBondContact NE2-CD 3.31Å; H484-R488 WeakPolarHBondContact O-CG 3.36Å; H484-R488 PolarHBondContact O-N 3.43Å; H484-L501 HydrophobicContact CB-CD1 4.09Å; H484-W572 HydrophobicContact CB-CD2 3.99Å; H484-W572 HydrophobicContact CB-CE3 4.3Å; H484-W572 HydrophobicContact CB-CG 4.45Å; H484-W572 HydrophobicContact CB-CH2 4.44Å; H484-W572 HydrophobicContact CB-CZ2 4.13Å; H484-W572 AromaticContact CD2-CD1 3.43Å; H484-W572 VanDerWaalsContact CD2-CD1 3.43Å; H484-W572 AromaticContact CD2-CG 3.92Å; H484-W572 AromaticContact CD2-NE1 3.53Å; H484-W572 VanDerWaalsContact CE1-CB 3.49Å; H484-W572 WeakPolarHBondContact CE1-CB 3.07Å; H484-W572 AromaticContact CE1-CD1 3.57Å; H484-W572 AromaticContact CE1-CG 3.54Å; H484-W572 AromaticContact CG-CD1 3.69Å; H484-W572 AromaticContact CG-CD2 3.77Å; H484-W572 AromaticContact CG-CE2 3.83Å; H484-W572 AromaticContact CG-CG 3.71Å; H484-W572 AromaticContact CG-NE1 3.77Å; H484-W572 AromaticContact ND1-CD1 3.77Å; H484-W572 AromaticContact ND1-CD2 3.84Å; H484-W572 AromaticContact ND1-CG 3.46Å; H484-W572 AromaticContact NE2-CD1 3.38Å; H484-W572 AromaticContact NE2-CG 3.84Å; H484-W572 AromaticContact NE2-NE1 3.97Å
485	Q	98.7	Very high	98.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-41	173	-54.5	-56.1	-37.7	0	0	111.4	L388 L392 D481 C482 R488 Q489 L569 M570	L388-Q485 HydrophobicContact CD1-CG 4.47Å; L392-Q485 HydrophobicContact CD1-CB 4.4Å; D481-Q485 WeakPolarHBondContact O-CG 3.31Å; D481-Q485 PolarHBondContact O-N 2.81Å; D481-Q485 PolarHBondContact OD1-NE2 3.06Å; C482-Q485 PolarHBondContact O-N 2.75Å; Q485-R488 PolarHBondContact O-N 3.47Å; Q485-Q489 WeakPolarHBondContact O-CG 3.48Å; Q485-Q489 PolarHBondContact O-N 3.12Å; Q485-L569 HydrophobicContact CB-CD2 4.19Å; Q485-L569 HydrophobicContact CG-CD2 4.1Å; Q485-M570 PolarHBondContact NE2-O 2.71Å
486	L	98.6	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-44.6	175.3	-63.1	-177.7	0	0	0	112.1	L392 L426 L430 C482 V483 H484 R488 Q489 F490 F494 P562	L392-L486 HydrophobicContact CD2-CD2 3.96Å; L392-L486 HydrophobicContact CD2-CG 4.26Å; L426-L486 HydrophobicContact CD2-CD1 4.02Å; L430-L486 HydrophobicContact CD2-CD1 3.64Å; L430-L486 HydrophobicContact CD2-CD2 3.76Å; L430-L486 HydrophobicContact CD2-CG 4.33Å; L430-L486 HydrophobicContact CG-CD1 4.18Å; C482-L486 WeakPolarHBondContact O-CG 3.4Å; C482-L486 PolarHBondContact O-N 2.81Å; V483-L486 WeakPolarHBondContact O-CB 3.47Å; V483-L486 PolarHBondContact O-N 2.58Å; H484-L486 VanDerWaalsContact C-N 3.32Å; H484-L486 PolarHBondContact O-N 3.1Å; L486-R488 PolarHBondContact O-N 2.81Å; L486-Q489 PolarHBondContact O-N 3.36Å; L486-Q489 VanDerWaalsContact O-N 3.16Å; L486-F490 HydrophobicContact CD2-CE2 4.45Å; L486-F490 WeakPolarHBondContact O-CD2 3.18Å; L486-F490 PolarHBondContact O-N 3.02Å; L486-F494 HydrophobicContact CB-CE2 3.97Å; L486-F494 HydrophobicContact CB-CZ 3.69Å; L486-F494 HydrophobicContact CD1-CZ 4.4Å; L486-P562 HydrophobicContact CD2-CB 3.55Å; L486-P562 HydrophobicContact CD2-CG 3.76Å
487	Q	97.1	Very high	97.9	Very high	27 Å²	27	20.4 Å²	20.4	13%	0.126	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-35.3	177.1	-167.2	-164.3	-47.4	0	0	111.5	V483 H484 F490 P491 F494 E498 L501	V483-Q487 PolarHBondContact O-N 3.4Å; H484-Q487 PolarHBondContact O-N 3.23Å; Q487-F490 CarbonylContact O-C 3.42Å; Q487-P491 WeakPolarHBondContact O-CA 3.49Å; Q487-F494 HydrophobicContact CB-CD2 4.23Å; Q487-F494 HydrophobicContact CG-CB 4.39Å; Q487-F494 HydrophobicContact CG-CD2 4.34Å; Q487-E498 VanDerWaalsContact NE2-N 3.13Å; Q487-L501 VanDerWaalsContact OE1-CD1 3.32Å
488	R	96.9	Very high	97.8	Very high	110 Å²	110	23.7 Å²	23.7	42%	0.415	12%	0.119	S	C	.	.	H	α-helix	trans	-73.7	-33.6	175.3	-72.6	-173.3	63.1	-100.6	-8.7	114	H484 Q485 L486 M570	H484-R488 WeakPolarHBondContact NE2-CD 3.31Å; H484-R488 WeakPolarHBondContact O-CG 3.36Å; H484-R488 PolarHBondContact O-N 3.43Å; Q485-R488 PolarHBondContact O-N 3.47Å; L486-R488 PolarHBondContact O-N 2.81Å; R488-M570 PolarHBondContact NH2-SD 3.05Å
489	Q	97.3	Very high	97.7	Very high	50 Å²	50	25.5 Å²	25.5	23%	0.234	14%	0.135	C	C	.	.	H	α-helix	trans	-78.4	-29.1	175.1	-68.7	-174.8	16.9	0	0	112.3	Q485 L486 P491 V563	Q485-Q489 WeakPolarHBondContact O-CG 3.48Å; Q485-Q489 PolarHBondContact O-N 3.12Å; L486-Q489 PolarHBondContact O-N 3.36Å; L486-Q489 VanDerWaalsContact O-N 3.16Å; Q489-P491 WeakPolarHBondContact O-CD 3.26Å; Q489-V563 PolarHBondContact NE2-O 2.79Å
490	F	97.4	Very high	97.7	Very high	31 Å²	31	25.5 Å²	25.5	14%	0.136	14%	0.135	C	C	.	.			trans	-127.5	66.1	-176.2	-55.1	-76.7	0	0	0	112.2	L486 Q487 C492 S493 F494 L560 P562	L486-F490 HydrophobicContact CD2-CE2 4.45Å; L486-F490 WeakPolarHBondContact O-CD2 3.18Å; L486-F490 PolarHBondContact O-N 3.02Å; Q487-F490 CarbonylContact O-C 3.42Å; F490-C492 PolarHBondContact O-N 3.42Å; F490-S493 PolarHBondContact O-N 3.48Å; F490-F494 HydrophobicContact CB-CE2 4.25Å; F490-L560 HydrophobicContact CB-CD1 4.24Å; F490-L560 HydrophobicContact CD1-CD2 3.9Å; F490-L560 HydrophobicContact CD2-CB 4.28Å; F490-L560 HydrophobicContact CD2-CD1 3.99Å; F490-L560 HydrophobicContact CE1-CB 4.4Å; F490-L560 HydrophobicContact CE1-CD2 4.21Å; F490-L560 HydrophobicContact CE2-CB 4.02Å; F490-L560 HydrophobicContact CG-CD1 4.06Å; F490-L560 HydrophobicContact CG-CD2 4.11Å; F490-L560 HydrophobicContact CG-CG 4.49Å; F490-L560 HydrophobicContact CZ-CB 4.09Å; F490-P562 HydrophobicContact CE2-CB 4.06Å
491	P	95.7	Very high	97.7	Very high	65 Å²	65	25.5 Å²	25.5	42%	0.422	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.6	-168.3	25.4	-36.1	0	0	0	115.4	Q487 Q489 N549	Q487-P491 WeakPolarHBondContact O-CA 3.49Å; Q489-P491 WeakPolarHBondContact O-CD 3.26Å; P491-N549 PolarHBondContact O-ND2 2.99Å
492	C	96.4	Very high	97.5	Very high	60 Å²	60	26.5 Å²	26.5	41%	0.405	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-5.5	176.4	-63.5	0	0	0	0	113.9	F490 L551 Y552 S553	F490-C492 PolarHBondContact O-N 3.42Å; C492-L551 WeakPolarHBondContact CA-O 3.07Å; C492-L551 WeakPolarHBondContact CB-O 3.31Å; C492-L551 PolarHBondContact SG-O 2.84Å; C492-Y552 WeakPolarHBondContact O-CA 3.24Å; C492-S553 PolarHBondContact O-N 2.89Å
493	S	97.8	Very high	97.4	Very high	8 Å²	8	27.9 Å²	27.9	6%	0.056	15%	0.147	C	C	.	.	S	Bend	trans	-96.4	-7.4	-166.5	-61.2	0	0	0	0	115	R436 F490	R436-S493 VanDerWaalsContact CB-O 3.25Å; R436-S493 WeakPolarHBondContact CB-O 3.41Å; R436-S493 WeakPolarHBondContact CD-O 3.49Å; R436-S493 PolarHBondContact NH1-O 3.26Å; F490-S493 PolarHBondContact O-N 3.48Å
494	F	98.1	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.			trans	-121.7	135.8	-179.1	-63.6	-90.7	0	0	0	111.2	L429 R436 L486 Q487 F490 F496 N549 Y552 L560	L429-F494 HydrophobicContact CD2-CE1 4.37Å; R436-F494 HydrophobicContact CB-CD1 3.75Å; R436-F494 HydrophobicContact CB-CE1 4.12Å; R436-F494 HydrophobicContact CB-CG 4.37Å; R436-F494 HydrophobicContact CG-CD1 3.77Å; R436-F494 HydrophobicContact CG-CE1 3.59Å; R436-F494 HydrophobicContact CG-CZ 4.27Å; R436-F494 WeakPolarHBondContact O-CA 3.47Å; L486-F494 HydrophobicContact CB-CE2 3.97Å; L486-F494 HydrophobicContact CB-CZ 3.69Å; L486-F494 HydrophobicContact CD1-CZ 4.4Å; Q487-F494 HydrophobicContact CB-CD2 4.23Å; Q487-F494 HydrophobicContact CG-CB 4.39Å; Q487-F494 HydrophobicContact CG-CD2 4.34Å; F490-F494 HydrophobicContact CB-CE2 4.25Å; F494-F496 HydrophobicContact CB-CE2 4.38Å; F494-F496 HydrophobicContact CB-CZ 4.36Å; F494-F496 AromaticContact CD1-CE1 3.97Å; F494-F496 HydrophobicContact CD1-CE1 3.97Å; F494-F496 AromaticContact CD1-CE2 3.99Å; F494-F496 HydrophobicContact CD1-CE2 3.99Å; F494-F496 AromaticContact CD1-CZ 3.43Å; F494-F496 HydrophobicContact CD1-CZ 3.43Å; F494-F496 VanDerWaalsContact CD1-CZ 3.43Å; F494-F496 HydrophobicContact CE1-CZ 4.11Å; F494-F496 HydrophobicContact CG-CE2 4.47Å; F494-F496 HydrophobicContact CG-CZ 4.27Å; F494-N549 WeakPolarHBondContact O-CB 3.38Å; F494-N549 PolarHBondContact O-ND2 3.4Å; F494-Y552 WeakPolarHBondContact O-CB 3.42Å; F494-Y552 WeakPolarHBondContact O-CD2 3.24Å; F494-L560 HydrophobicContact CE2-CD1 4.16Å; F494-L560 HydrophobicContact CZ-CD1 4.19Å
495	E	97.9	Very high	97.3	Very high	27 Å²	27	27.6 Å²	27.6	13%	0.126	15%	0.146	C	C	.	.	S	Bend	trans	-81.2	-31.1	179.9	-172.8	179.1	-144.9	0	0	112.9	R436 T437 I438 K548 N549 Y552	R436-E495 PolarHBondContact O-N 3.4Å; T437-E495 WeakPolarHBondContact CA-OE2 3.45Å; T437-E495 WeakPolarHBondContact CB-OE2 3.35Å; I438-E495 HydrophobicContact CD1-CG 4.14Å; I438-E495 HydrophobicContact CG1-CB 4.37Å; I438-E495 HydrophobicContact CG1-CG 4.09Å; I438-E495 PolarHBondContact N-OE2 2.98Å; E495-K548 HydrophobicContact CG-CG 4.26Å; E495-K548 CarbonylContact O-C 3.51Å; E495-K548 WeakPolarHBondContact O-CA 2.82Å; E495-K548 IonicContact OE1-NZ 3.4Å; E495-K548 PolarHBondContact OE1-NZ 3.42Å; E495-N549 WeakPolarHBondContact O-CB 3.43Å; E495-N549 PolarHBondContact O-N 2.85Å; E495-Y552 HydrophobicContact CB-CD1 3.71Å; E495-Y552 HydrophobicContact CB-CD2 4.1Å; E495-Y552 HydrophobicContact CB-CE1 3.83Å; E495-Y552 HydrophobicContact CB-CE2 4.21Å; E495-Y552 HydrophobicContact CB-CG 3.85Å; E495-Y552 HydrophobicContact CG-CD1 3.72Å; E495-Y552 HydrophobicContact CG-CE1 3.99Å; E495-Y552 HydrophobicContact CG-CG 4.23Å
496	F	98.1	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-80.5	151.9	172	52.6	-94.3	0	0	0	111.1	I438 F441 V483 F494 F500 L501 F547	I438-F496 HydrophobicContact CG1-CB 4.04Å; F441-F496 HydrophobicContact CB-CD1 4.08Å; F441-F496 HydrophobicContact CB-CE1 3.7Å; F441-F496 HydrophobicContact CD2-CD1 4.33Å; F441-F496 AromaticContact CD2-CE1 3.33Å; F441-F496 HydrophobicContact CD2-CE1 3.33Å; F441-F496 HydrophobicContact CD2-CE2 4.4Å; F441-F496 AromaticContact CD2-CZ 3.36Å; F441-F496 HydrophobicContact CD2-CZ 3.36Å; F441-F496 HydrophobicContact CE2-CE1 4.09Å; F441-F496 HydrophobicContact CE2-CE2 4.38Å; F441-F496 AromaticContact CE2-CZ 3.62Å; F441-F496 HydrophobicContact CE2-CZ 3.62Å; F441-F496 HydrophobicContact CG-CD1 4.23Å; F441-F496 AromaticContact CG-CE1 3.64Å; F441-F496 HydrophobicContact CG-CE1 3.64Å; F441-F496 HydrophobicContact CG-CZ 4.03Å; F441-F496 HydrophobicContact CZ-CZ 4.47Å; V483-F496 HydrophobicContact CG1-CE2 3.9Å; V483-F496 HydrophobicContact CG1-CZ 3.97Å; F494-F496 HydrophobicContact CB-CE2 4.38Å; F494-F496 HydrophobicContact CB-CZ 4.36Å; F494-F496 AromaticContact CD1-CE1 3.97Å; F494-F496 HydrophobicContact CD1-CE1 3.97Å; F494-F496 AromaticContact CD1-CE2 3.99Å; F494-F496 HydrophobicContact CD1-CE2 3.99Å; F494-F496 AromaticContact CD1-CZ 3.43Å; F494-F496 HydrophobicContact CD1-CZ 3.43Å; F494-F496 VanDerWaalsContact CD1-CZ 3.43Å; F494-F496 HydrophobicContact CE1-CZ 4.11Å; F494-F496 HydrophobicContact CG-CE2 4.47Å; F494-F496 HydrophobicContact CG-CZ 4.27Å; F496-F500 HydrophobicContact CB-CB 3.86Å; F496-F500 HydrophobicContact CB-CD1 3.61Å; F496-F500 HydrophobicContact CB-CD2 4.08Å; F496-F500 HydrophobicContact CB-CE1 4.09Å; F496-F500 HydrophobicContact CB-CE2 4.48Å; F496-F500 HydrophobicContact CB-CG 3.61Å; F496-F500 HydrophobicContact CB-CZ 4.5Å; F496-F500 HydrophobicContact CD1-CD1 4.5Å; F496-F500 HydrophobicContact CD1-CE1 4.28Å; F496-F500 AromaticContact CD2-CD1 3.89Å; F496-F500 HydrophobicContact CD2-CD1 3.89Å; F496-F500 HydrophobicContact CD2-CE1 4.33Å; F496-F500 AromaticContact CG-CD1 3.75Å; F496-F500 HydrophobicContact CG-CD1 3.75Å; F496-F500 AromaticContact CG-CE1 3.98Å; F496-F500 HydrophobicContact CG-CE1 3.98Å; F496-F500 HydrophobicContact CG-CG 4.28Å; F496-L501 HydrophobicContact CD2-CD1 4.5Å; F496-L501 HydrophobicContact CD2-CD2 4.11Å; F496-L501 HydrophobicContact CD2-CG 4.1Å; F496-L501 HydrophobicContact CE2-CD1 4.18Å; F496-L501 HydrophobicContact CE2-CD2 3.81Å; F496-L501 HydrophobicContact CE2-CG 4.08Å; F496-F547 CarbonylContact C-O 3.59Å; F496-F547 WeakPolarHBondContact CA-O 3.5Å
497	N	96.6	Very high	97	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.182	16%	0.162	C	C	.	.			trans	-100.3	-178	175.7	67.3	17.8	0	0	0	112	A499 F500 A546 F547 N549	N497-A499 VanDerWaalsContact C-N 3.3Å; N497-A499 PolarHBondContact O-N 2.89Å; N497-A499 WeakPolarHBondContact OD1-CB 3.26Å; N497-A499 PolarHBondContact OD1-N 3.01Å; N497-A499 VanDerWaalsContact OD1-N 3.14Å; N497-F500 WeakPolarHBondContact O-CB 3.36Å; N497-F500 PolarHBondContact O-N 3.17Å; N497-F500 PolarHBondContact OD1-N 2.87Å; N497-F500 VanDerWaalsContact OD1-N 3.13Å; N497-A546 PolarHBondContact ND2-O 3.08Å; N497-F547 PolarHBondContact N-O 3.36Å; N497-F547 PolarHBondContact OD1-O 3.34Å; N497-N549 HydrophobicContact CB-CB 4.33Å
498	E	96.4	Very high	97	Very high	70 Å²	70	30 Å²	30	33%	0.327	16%	0.157	S	C	.	.	H	α-helix	trans	-64.8	-34.1	-179.5	-175.4	176.9	-177.7	0	0	112.4	Q487 F500 L501 V502 W572 A574	Q487-E498 VanDerWaalsContact NE2-N 3.13Å; E498-F500 VanDerWaalsContact C-N 3.29Å; E498-F500 PolarHBondContact O-N 3.47Å; E498-L501 PolarHBondContact O-N 3.39Å; E498-V502 HydrophobicContact CG-CG2 4.12Å; E498-V502 WeakPolarHBondContact O-CG2 3.23Å; E498-V502 PolarHBondContact O-N 3.21Å; E498-W572 VanDerWaalsContact OE1-CD1 3.24Å; E498-W572 PolarHBondContact OE1-NE1 3.5Å; E498-A574 VanDerWaalsContact OE1-CB 3.29Å; E498-A574 WeakPolarHBondContact OE1-CB 3.47Å
499	A	96.3	Very high	97	Very high	45 Å²	45	25 Å²	25	37%	0.372	14%	0.139	S	C	.	.	H	α-helix	trans	-61.4	-36.9	179.2	0	0	0	0	0	112	N497 L501 V502 K503 F547	N497-A499 VanDerWaalsContact C-N 3.3Å; N497-A499 PolarHBondContact O-N 2.89Å; N497-A499 WeakPolarHBondContact OD1-CB 3.26Å; N497-A499 PolarHBondContact OD1-N 3.01Å; N497-A499 VanDerWaalsContact OD1-N 3.14Å; A499-L501 PolarHBondContact O-N 2.97Å; A499-V502 PolarHBondContact O-N 3.43Å; A499-K503 WeakPolarHBondContact O-CB 3.44Å; A499-K503 WeakPolarHBondContact O-CG 3.42Å; A499-K503 PolarHBondContact O-N 3.05Å; A499-F547 HydrophobicContact CB-CD1 4.39Å
500	F	98.2	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.2	-47.7	171.4	176.7	-88	0	0	0	111.9	I438 F441 F496 N497 E498 K503 L504 L540 F547	I438-F500 HydrophobicContact CG2-CE2 4.05Å; F441-F500 AromaticContact CD1-CE1 3.59Å; F441-F500 HydrophobicContact CD1-CE1 3.59Å; F441-F500 AromaticContact CD1-CZ 3.96Å; F441-F500 HydrophobicContact CD1-CZ 3.96Å; F441-F500 AromaticContact CE1-CE1 3.94Å; F441-F500 HydrophobicContact CE1-CE1 3.94Å; F441-F500 HydrophobicContact CG-CE1 4.23Å; F496-F500 HydrophobicContact CB-CB 3.86Å; F496-F500 HydrophobicContact CB-CD1 3.61Å; F496-F500 HydrophobicContact CB-CD2 4.08Å; F496-F500 HydrophobicContact CB-CE1 4.09Å; F496-F500 HydrophobicContact CB-CE2 4.48Å; F496-F500 HydrophobicContact CB-CG 3.61Å; F496-F500 HydrophobicContact CB-CZ 4.5Å; F496-F500 HydrophobicContact CD1-CD1 4.5Å; F496-F500 HydrophobicContact CD1-CE1 4.28Å; F496-F500 AromaticContact CD2-CD1 3.89Å; F496-F500 HydrophobicContact CD2-CD1 3.89Å; F496-F500 HydrophobicContact CD2-CE1 4.33Å; F496-F500 AromaticContact CG-CD1 3.75Å; F496-F500 HydrophobicContact CG-CD1 3.75Å; F496-F500 AromaticContact CG-CE1 3.98Å; F496-F500 HydrophobicContact CG-CE1 3.98Å; F496-F500 HydrophobicContact CG-CG 4.28Å; N497-F500 WeakPolarHBondContact O-CB 3.36Å; N497-F500 PolarHBondContact O-N 3.17Å; N497-F500 PolarHBondContact OD1-N 2.87Å; N497-F500 VanDerWaalsContact OD1-N 3.13Å; E498-F500 VanDerWaalsContact C-N 3.29Å; E498-F500 PolarHBondContact O-N 3.47Å; F500-K503 PolarHBondContact O-N 2.74Å; F500-L504 WeakPolarHBondContact O-CB 3.41Å; F500-L504 PolarHBondContact O-N 2.8Å; F500-L540 HydrophobicContact CD2-CB 4.08Å; F500-L540 HydrophobicContact CD2-CD2 4.07Å; F500-L540 HydrophobicContact CD2-CG 4.45Å; F500-L540 HydrophobicContact CE2-CB 3.75Å; F500-L540 HydrophobicContact CE2-CD1 4.34Å; F500-L540 HydrophobicContact CE2-CG 4.44Å; F500-F547 HydrophobicContact CB-CB 4.04Å; F500-F547 HydrophobicContact CB-CD1 4.16Å; F500-F547 HydrophobicContact CB-CG 4.29Å; F500-F547 HydrophobicContact CD2-CB 4.04Å; F500-F547 HydrophobicContact CD2-CG 4.32Å
501	L	98.3	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67	-42.7	179.3	-64.3	177.9	0	0	0	111.7	F441 L480 V483 H484 Q487 F496 E498 A499 K503 L504 V505 W572	F441-L501 HydrophobicContact CE1-CD2 4.44Å; F441-L501 HydrophobicContact CZ-CD2 4.05Å; L480-L501 HydrophobicContact CD2-CD2 4.1Å; V483-L501 HydrophobicContact CB-CD1 4.46Å; V483-L501 HydrophobicContact CB-CD2 4.49Å; V483-L501 HydrophobicContact CG1-CD1 4.04Å; V483-L501 HydrophobicContact CG1-CD2 3.99Å; H484-L501 HydrophobicContact CB-CD1 4.09Å; Q487-L501 VanDerWaalsContact OE1-CD1 3.32Å; F496-L501 HydrophobicContact CD2-CD1 4.5Å; F496-L501 HydrophobicContact CD2-CD2 4.11Å; F496-L501 HydrophobicContact CD2-CG 4.1Å; F496-L501 HydrophobicContact CE2-CD1 4.18Å; F496-L501 HydrophobicContact CE2-CD2 3.81Å; F496-L501 HydrophobicContact CE2-CG 4.08Å; E498-L501 PolarHBondContact O-N 3.39Å; A499-L501 PolarHBondContact O-N 2.97Å; L501-K503 VanDerWaalsContact C-N 3.34Å; L501-K503 PolarHBondContact O-N 2.91Å; L501-L504 PolarHBondContact O-N 3.46Å; L501-V505 WeakPolarHBondContact O-CG2 3.27Å; L501-V505 PolarHBondContact O-N 3.29Å; L501-W572 HydrophobicContact CB-CH2 3.77Å; L501-W572 HydrophobicContact CB-CZ2 3.72Å
502	V	96.4	Very high	96.8	Very high	20 Å²	20	19 Å²	19	12%	0.121	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-41.4	176	173.7	0	0	0	0	111.1	E498 A499 V505 Q506 W572 A574 V575	E498-V502 HydrophobicContact CG-CG2 4.12Å; E498-V502 WeakPolarHBondContact O-CG2 3.23Å; E498-V502 PolarHBondContact O-N 3.21Å; A499-V502 PolarHBondContact O-N 3.43Å; V502-V505 PolarHBondContact O-N 3.22Å; V502-Q506 WeakPolarHBondContact O-CG 3.47Å; V502-Q506 PolarHBondContact O-N 3.1Å; V502-W572 HydrophobicContact CG2-CZ2 3.84Å; V502-A574 HydrophobicContact CG2-CB 4.06Å; V502-V575 HydrophobicContact CG2-CG2 3.98Å
503	K	95.8	Very high	96.8	Very high	30 Å²	30	16.7 Å²	16.7	13%	0.13	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-37.1	175.3	-71.3	-74	157.6	179.5	0	112.4	A499 F500 L501 Q506 H507 L540 F547 D1018	A499-K503 WeakPolarHBondContact O-CB 3.44Å; A499-K503 WeakPolarHBondContact O-CG 3.42Å; A499-K503 PolarHBondContact O-N 3.05Å; F500-K503 PolarHBondContact O-N 2.74Å; L501-K503 VanDerWaalsContact C-N 3.34Å; L501-K503 PolarHBondContact O-N 2.91Å; K503-Q506 VanDerWaalsContact NZ-OE1 3.15Å; K503-Q506 PolarHBondContact O-N 3.18Å; K503-H507 WeakPolarHBondContact O-CB 3.39Å; K503-H507 PolarHBondContact O-CD2 3.34Å; K503-H507 PolarHBondContact O-N 2.97Å; K503-L540 HydrophobicContact CB-CD2 3.91Å; K503-F547 HydrophobicContact CB-CE1 4.46Å; K503-F547 HydrophobicContact CG-CE1 3.84Å; K503-F547 HydrophobicContact CG-CZ 4.17Å; K503-D1018 WeakPolarHBondContact CD-OD1 3.38Å; K503-D1018 WeakPolarHBondContact CE-OD1 3.32Å; K503-D1018 WeakPolarHBondContact CE-OD2 3.39Å; K503-D1018 IonicContact NZ-OD1 2.81Å; K503-D1018 PolarHBondContact NZ-OD1 2.73Å; K503-D1018 IonicContact NZ-OD2 3.22Å; K503-D1018 PolarHBondContact NZ-OD2 2.96Å
504	L	97.9	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-40	175.3	-167.6	59.8	0	0	0	111.9	F441 F476 L480 F500 L501 H507 T508 F516 V536 W537 L540	F441-L504 HydrophobicContact CD1-CD2 4.46Å; F441-L504 HydrophobicContact CE1-CD2 3.66Å; F476-L504 HydrophobicContact CE1-CG 4.3Å; F476-L504 HydrophobicContact CZ-CD2 4.28Å; L480-L504 HydrophobicContact CD1-CB 4.4Å; L480-L504 HydrophobicContact CD1-CD2 4.28Å; L480-L504 HydrophobicContact CD1-CG 4.17Å; L480-L504 HydrophobicContact CD2-CD2 3.83Å; F500-L504 WeakPolarHBondContact O-CB 3.41Å; F500-L504 PolarHBondContact O-N 2.8Å; L501-L504 PolarHBondContact O-N 3.46Å; L504-H507 PolarHBondContact O-N 3.48Å; L504-T508 PolarHBondContact O-N 3.39Å; L504-T508 PolarHBondContact O-OG1 3.29Å; L504-F516 HydrophobicContact CD1-CE2 3.74Å; L504-F516 HydrophobicContact CD1-CZ 3.71Å; L504-V536 HydrophobicContact CD1-CG1 4.43Å; L504-W537 HydrophobicContact CD1-CH2 3.8Å; L504-W537 HydrophobicContact CD1-CZ3 3.66Å; L504-W537 HydrophobicContact CD2-CH2 4.45Å; L504-L540 HydrophobicContact CB-CD1 4.23Å; L504-L540 HydrophobicContact CD1-CD1 3.8Å
505	V	97.3	Very high	96.6	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-51.3	170.2	171	0	0	0	0	111	D93 L477 L480 L501 V502 H507 T508 Y509 W572 V575	D93-V505 HydrophobicContact CB-CG1 4.3Å; L477-V505 HydrophobicContact CD1-CB 4.39Å; L477-V505 HydrophobicContact CD1-CG1 3.78Å; L477-V505 HydrophobicContact CD1-CG2 3.63Å; L480-V505 HydrophobicContact CB-CG2 4.23Å; L480-V505 HydrophobicContact CD1-CG2 3.61Å; L501-V505 WeakPolarHBondContact O-CG2 3.27Å; L501-V505 PolarHBondContact O-N 3.29Å; V502-V505 PolarHBondContact O-N 3.22Å; V505-H507 VanDerWaalsContact C-N 3.31Å; V505-H507 PolarHBondContact O-N 3.26Å; V505-T508 WeakPolarHBondContact O-CB 3.42Å; V505-T508 PolarHBondContact O-N 2.85Å; V505-Y509 WeakPolarHBondContact O-CD2 3.48Å; V505-W572 HydrophobicContact CG2-CH2 3.75Å; V505-W572 HydrophobicContact CG2-CZ3 3.85Å; V505-V575 HydrophobicContact CG1-CG1 3.96Å
506	Q	94.9	Very high	96.5	Very high	58 Å²	58	15.9 Å²	15.9	27%	0.271	9%	0.086	S	C	.	.	H	α-helix	trans	-56.6	-46.1	178.7	-72.4	172.4	6	0	0	111.4	V502 K503 Y509 S510	V502-Q506 WeakPolarHBondContact O-CG 3.47Å; V502-Q506 PolarHBondContact O-N 3.1Å; K503-Q506 VanDerWaalsContact NZ-OE1 3.15Å; K503-Q506 PolarHBondContact O-N 3.18Å; Q506-Y509 PolarHBondContact O-N 3.07Å; Q506-S510 WeakPolarHBondContact O-CB 3.33Å; Q506-S510 PolarHBondContact O-N 2.87Å
507	H	96.6	Very high	96.4	Very high	16 Å²	16	16 Å²	16	7%	0.074	9%	0.087	C	C	.	.	H	α-helix	trans	-80	-17.1	-175.5	-70.5	-56.1	0	0	0	115.2	K503 L504 V505 Y509 S510 F513 V536	K503-H507 WeakPolarHBondContact O-CB 3.39Å; K503-H507 PolarHBondContact O-CD2 3.34Å; K503-H507 PolarHBondContact O-N 2.97Å; L504-H507 PolarHBondContact O-N 3.48Å; V505-H507 VanDerWaalsContact C-N 3.31Å; V505-H507 PolarHBondContact O-N 3.26Å; H507-Y509 PolarHBondContact O-N 2.92Å; H507-S510 WeakPolarHBondContact CA-OG 3.45Å; H507-S510 PolarHBondContact ND1-OG 3.22Å; H507-S510 VanDerWaalsContact ND1-OG 3.07Å; H507-S510 PolarHBondContact O-OG 2.74Å; H507-F513 HydrophobicContact CB-CD2 4.1Å; H507-F513 HydrophobicContact CB-CE2 4.47Å; H507-F513 AromaticContact CE1-CE2 3.78Å; H507-F513 AromaticContact CG-CD2 3.84Å; H507-F513 AromaticContact CG-CE2 3.78Å; H507-F513 AromaticContact ND1-CD2 3.75Å; H507-F513 AromaticContact ND1-CE2 3.61Å; H507-V536 HydrophobicContact CB-CG2 3.65Å
508	T	97.1	Very high	96.3	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-40.1	165.7	-58.9	0	0	0	0	111.2	F456 F476 L504 V505	F456-T508 HydrophobicContact CD1-CG2 4.28Å; F456-T508 HydrophobicContact CE1-CG2 4.27Å; F476-T508 HydrophobicContact CD1-CG2 3.99Å; L504-T508 PolarHBondContact O-N 3.39Å; L504-T508 PolarHBondContact O-OG1 3.29Å; V505-T508 WeakPolarHBondContact O-CB 3.42Å; V505-T508 PolarHBondContact O-N 2.85Å
509	Y	95.7	Very high	96.3	Very high	7 Å²	7	12.4 Å²	12.4	3%	0.027	7%	0.07	C	C	.	.	H	α-helix	trans	-101.5	-13.3	-177.9	-58.5	-70	0	0	0	114.5	Q74 L75 K92 C460 L477 V505 Q506 H507 C511	Q74-Y509 CarbonylContact C-O 3.59Å; Q74-Y509 WeakPolarHBondContact CB-O 3.39Å; L75-Y509 HydrophobicContact CD1-CD2 3.91Å; L75-Y509 HydrophobicContact CD1-CG 3.97Å; L75-Y509 PolarHBondContact N-O 2.72Å; K92-Y509 HydrophobicContact CB-CD1 3.8Å; K92-Y509 HydrophobicContact CB-CD2 4.38Å; K92-Y509 HydrophobicContact CB-CE1 3.89Å; K92-Y509 HydrophobicContact CB-CE2 4.46Å; K92-Y509 HydrophobicContact CB-CG 4.07Å; K92-Y509 HydrophobicContact CD-CD1 3.68Å; K92-Y509 HydrophobicContact CD-CE1 4.19Å; K92-Y509 HydrophobicContact CD-CG 4.39Å; K92-Y509 HydrophobicContact CG-CD1 4.37Å; C460-Y509 HydrophobicContact CB-CD1 3.84Å; C460-Y509 HydrophobicContact CB-CE1 3.7Å; L477-Y509 HydrophobicContact CD2-CE2 4.45Å; V505-Y509 WeakPolarHBondContact O-CD2 3.48Å; Q506-Y509 PolarHBondContact O-N 3.07Å; H507-Y509 PolarHBondContact O-N 2.92Å; Y509-C511 VanDerWaalsContact C-N 3.35Å; Y509-C511 PolarHBondContact O-N 3.03Å
510	S	95.2	Very high	96.3	Very high	2 Å²	2	11 Å²	11	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-67.4	-30	-172.4	69.9	0	0	0	0	115.2	Y58 Q506 H507 L512	Y58-S510 WeakPolarHBondContact CE2-O 3.29Å; Q506-S510 WeakPolarHBondContact O-CB 3.33Å; Q506-S510 PolarHBondContact O-N 2.87Å; H507-S510 WeakPolarHBondContact CA-OG 3.45Å; H507-S510 PolarHBondContact ND1-OG 3.22Å; H507-S510 VanDerWaalsContact ND1-OG 3.07Å; H507-S510 PolarHBondContact O-OG 2.74Å; S510-L512 PolarHBondContact O-N 2.8Å; S510-L512 PolarHBondContact OG-N 2.91Å
511	C	95.9	Very high	96.2	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.02	6%	0.061	C	C	.	.			trans	51	27.9	-165.6	-57.9	0	0	0	0	114.6	Q74 L127 S129 Y509	Q74-C511 HydrophobicContact CB-CB 4.16Å; Q74-C511 HydrophobicContact CG-CB 4.02Å; L127-C511 HydrophobicContact CB-CB 4.47Å; L127-C511 HydrophobicContact CD2-CB 4.12Å; S129-C511 VanDerWaalsContact CB-O 3.3Å; S129-C511 WeakPolarHBondContact CB-O 3.34Å; S129-C511 PolarHBondContact N-O 2.85Å; Y509-C511 VanDerWaalsContact C-N 3.35Å; Y509-C511 PolarHBondContact O-N 3.03Å
512	L	95.8	Very high	96.1	Very high	13 Å²	13	15.2 Å²	15.2	7%	0.068	8%	0.077	C	C	.	.	S	Bend	trans	-76.4	-34.1	167.3	179.9	61.7	0	0	0	111.9	L37 Y58 F128 S129 Y132 S510	L37-L512 HydrophobicContact CD1-CD1 4.03Å; Y58-L512 HydrophobicContact CE2-CB 3.96Å; Y58-L512 HydrophobicContact CE2-CD1 4.4Å; F128-L512 HydrophobicContact CD1-CD1 3.7Å; F128-L512 HydrophobicContact CE1-CD1 3.56Å; S129-L512 WeakPolarHBondContact CA-O 3.34Å; S129-L512 WeakPolarHBondContact CB-O 3.5Å; Y132-L512 HydrophobicContact CD1-CD1 3.98Å; Y132-L512 HydrophobicContact CD2-CD1 3.72Å; Y132-L512 HydrophobicContact CE1-CD1 4.31Å; Y132-L512 HydrophobicContact CE2-CD1 4.07Å; Y132-L512 HydrophobicContact CG-CD1 3.69Å; S510-L512 PolarHBondContact O-N 2.8Å; S510-L512 PolarHBondContact OG-N 2.91Å
513	F	96	Very high	96.1	Very high	12 Å²	12	17.1 Å²	17.1	5%	0.053	9%	0.085	C	C	.	.	S	Bend	trans	-116.5	148.9	-178.5	-59.3	-75.2	0	0	0	110.6	H507 C534 S535 V536 L539	H507-F513 HydrophobicContact CB-CD2 4.1Å; H507-F513 HydrophobicContact CB-CE2 4.47Å; H507-F513 AromaticContact CE1-CE2 3.78Å; H507-F513 AromaticContact CG-CD2 3.84Å; H507-F513 AromaticContact CG-CE2 3.78Å; H507-F513 AromaticContact ND1-CD2 3.75Å; H507-F513 AromaticContact ND1-CE2 3.61Å; F513-C534 CarbonylContact C-O 3.54Å; F513-C534 VanDerWaalsContact CA-O 3.22Å; F513-C534 WeakPolarHBondContact CA-O 3.2Å; F513-C534 WeakPolarHBondContact CB-O 3.48Å; F513-C534 HydrophobicContact CD1-CB 4.05Å; F513-C534 HydrophobicContact CE1-CB 4.4Å; F513-S535 VanDerWaalsContact CD1-C 3.48Å; F513-V536 HydrophobicContact CB-CB 3.94Å; F513-V536 HydrophobicContact CD1-CB 4.47Å; F513-V536 HydrophobicContact CD2-CB 3.79Å; F513-V536 HydrophobicContact CD2-CG2 3.67Å; F513-V536 HydrophobicContact CE2-CB 4.39Å; F513-V536 HydrophobicContact CE2-CG2 3.96Å; F513-V536 HydrophobicContact CG-CB 3.82Å; F513-V536 HydrophobicContact CG-CG2 4.24Å; F513-L539 HydrophobicContact CE2-CB 4.5Å; F513-L539 HydrophobicContact CE2-CD2 3.89Å; F513-L539 HydrophobicContact CZ-CB 3.9Å; F513-L539 HydrophobicContact CZ-CD2 3.94Å
514	G	95.3	Very high	96	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	8%	0.081	C	C	.	.	S	Bend	trans	-82.6	-7.2	-178.9	0	0	0	0	0	115.8	F516 L517 T533 C534	G514-F516 VanDerWaalsContact C-N 3.28Å; G514-F516 PolarHBondContact O-N 2.68Å; G514-L517 WeakPolarHBondContact O-CB 3.09Å; G514-L517 PolarHBondContact O-N 2.91Å; G514-T533 VanDerWaalsContact CA-OG1 3.28Å; G514-T533 WeakPolarHBondContact CA-OG1 3.44Å; G514-C534 PolarHBondContact N-O 2.79Å
515	T	96.5	Very high	95.9	Very high	10 Å²	10	18.4 Å²	18.4	6%	0.061	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-43.4	-173.1	-53.1	0	0	0	0	112.9	L450 S535 V536 W537	L450-T515 HydrophobicContact CD1-CG2 3.7Å; L450-T515 WeakPolarHBondContact CD1-O 3.45Å; L450-T515 VanDerWaalsContact CD2-O 3.23Å; L450-T515 WeakPolarHBondContact CD2-O 3.24Å; T515-S535 WeakPolarHBondContact OG1-CA 3.34Å; T515-S535 PolarHBondContact OG1-OG 3.15Å; T515-S535 VanDerWaalsContact OG1-OG 3.05Å; T515-V536 HydrophobicContact CG2-CG1 3.87Å; T515-V536 PolarHBondContact OG1-N 3.4Å; T515-W537 HydrophobicContact CG2-CZ2 4.02Å
516	F	97.1	Very high	95.8	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.022	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	16.1	-177.8	-61	-64.9	0	0	0	114.1	V445 L450 F456 H462 F476 L504 G514 V536 W537	V445-F516 HydrophobicContact CG1-CE1 3.82Å; V445-F516 HydrophobicContact CG1-CZ 4.12Å; L450-F516 HydrophobicContact CD1-CE1 4.38Å; L450-F516 HydrophobicContact CD2-CD1 4.1Å; F456-F516 WeakPolarHBondContact CB-O 3.37Å; F456-F516 HydrophobicContact CD1-CB 4.07Å; F456-F516 AromaticContact CD1-CD1 3.74Å; F456-F516 HydrophobicContact CD1-CD1 3.74Å; F456-F516 HydrophobicContact CD1-CG 4.25Å; F456-F516 HydrophobicContact CD2-CD1 4.3Å; F456-F516 AromaticContact CE1-CD1 3.38Å; F456-F516 HydrophobicContact CE1-CD1 3.38Å; F456-F516 AromaticContact CE1-CE1 3.9Å; F456-F516 HydrophobicContact CE1-CE1 3.9Å; F456-F516 HydrophobicContact CE1-CG 4.22Å; F456-F516 AromaticContact CE2-CD1 3.98Å; F456-F516 HydrophobicContact CE2-CD1 3.98Å; F456-F516 HydrophobicContact CE2-CE1 4.43Å; F456-F516 HydrophobicContact CG-CB 4.32Å; F456-F516 HydrophobicContact CG-CD1 4.19Å; F456-F516 AromaticContact CZ-CD1 3.52Å; F456-F516 HydrophobicContact CZ-CD1 3.52Å; F456-F516 AromaticContact CZ-CE1 3.77Å; F456-F516 HydrophobicContact CZ-CE1 3.77Å; H462-F516 PolarHBondContact CE1-O 3.16Å; F476-F516 AromaticContact CE1-CE1 3.85Å; F476-F516 HydrophobicContact CE1-CE1 3.85Å; F476-F516 AromaticContact CE1-CZ 3.91Å; F476-F516 HydrophobicContact CE1-CZ 3.91Å; F476-F516 HydrophobicContact CZ-CE1 4.02Å; F476-F516 HydrophobicContact CZ-CZ 4.17Å; L504-F516 HydrophobicContact CD1-CE2 3.74Å; L504-F516 HydrophobicContact CD1-CZ 3.71Å; G514-F516 VanDerWaalsContact C-N 3.28Å; G514-F516 PolarHBondContact O-N 2.68Å; F516-V536 HydrophobicContact CE2-CG1 4.02Å; F516-W537 HydrophobicContact CZ-CH2 4.24Å; F516-W537 HydrophobicContact CZ-CZ2 4.42Å
517	L	95.1	Very high	95.7	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.129	C	C	.	.			trans	-83.3	158.4	177.5	-61	-175.1	0	0	0	113.1	I124 L127 F130 G514 R524	I124-L517 HydrophobicContact CD1-CB 4.28Å; I124-L517 HydrophobicContact CD1-CD1 4.48Å; I124-L517 HydrophobicContact CG1-CD1 4.46Å; L127-L517 HydrophobicContact CD1-CD1 4.25Å; L127-L517 HydrophobicContact CD1-CD2 3.67Å; F130-L517 HydrophobicContact CE2-CD1 3.96Å; F130-L517 HydrophobicContact CZ-CD1 4.46Å; G514-L517 WeakPolarHBondContact O-CB 3.09Å; G514-L517 PolarHBondContact O-N 2.91Å; L517-R524 VanDerWaalsContact O-CD 3.23Å; L517-R524 WeakPolarHBondContact O-CD 3.5Å; L517-R524 VanDerWaalsContact O-CG 3.24Å; L517-R524 WeakPolarHBondContact O-CG 3.25Å; L517-R524 PolarHBondContact O-NH1 2.94Å
518	C	95.3	Very high	95.5	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.054	15%	0.147	C	C	.	.	S	Bend	trans	58.1	-176.6	-172.8	-41.7	0	0	0	0	113.6	I124 A457 E523 R524	I124-C518 WeakPolarHBondContact CD1-SG 3.42Å; A457-C518 PolarHBondContact N-O 3.07Å; C518-E523 HydrophobicContact CB-CB 3.55Å; C518-E523 WeakPolarHBondContact CB-OE2 3.43Å; C518-R524 HydrophobicContact CB-CG 3.86Å
519	N	95.8	Very high	95.3	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.112	15%	0.147	C	C	.	.	S	Bend	trans	-103.7	-11.1	-178.7	-68.4	-46	0	0	0	114.2	G453 H454 K455 A457 D458 E523	G453-N519 CarbonylContact C-O 3.59Å; G453-N519 WeakPolarHBondContact CA-O 3.32Å; H454-N519 CarbonylContact C-O 3.44Å; H454-N519 VanDerWaalsContact O-O 3.08Å; K455-N519 WeakPolarHBondContact CA-OD1 3.35Å; K455-N519 HydrophobicContact CB-CB 4.24Å; K455-N519 WeakPolarHBondContact CB-OD1 3.46Å; K455-N519 HydrophobicContact CG-CB 4.23Å; K455-N519 PolarHBondContact O-OD1 3.12Å; A457-N519 PolarHBondContact N-OD1 2.87Å; A457-N519 VanDerWaalsContact N-OD1 3.17Å; D458-N519 VanDerWaalsContact CG-ND2 3.27Å; D458-N519 PolarHBondContact N-OD1 3.46Å; D458-N519 VanDerWaalsContact N-OD1 3.08Å; D458-N519 PolarHBondContact OD1-ND2 3.48Å; D458-N519 PolarHBondContact OD1-OD1 3.33Å; D458-N519 PolarHBondContact OD2-ND2 2.72Å; N519-E523 WeakPolarHBondContact CB-OE2 3.26Å; N519-E523 PolarHBondContact N-OE2 3.08Å
520	N	96	Very high	95	Very high	16 Å²	16	33.8 Å²	33.8	9%	0.086	17%	0.173	C	C	.	.	S	Bend	trans	-162.4	170.7	-178.7	51.2	66	0	0	0	112.2	K522 E523 R524	N520-K522 VanDerWaalsContact C-N 3.28Å; N520-K522 PolarHBondContact O-N 3.44Å; N520-K522 WeakPolarHBondContact OD1-CB 3.36Å; N520-K522 PolarHBondContact OD1-N 3.15Å; N520-E523 VanDerWaalsContact ND2-CD 3.29Å; N520-E523 PolarHBondContact ND2-OE1 3.32Å; N520-E523 WeakPolarHBondContact OD1-CG 3.44Å; N520-E523 PolarHBondContact OD1-N 3.5Å; N520-R524 PolarHBondContact O-N 2.75Å
521	A	95.8	Very high	94.7	Very high	12 Å²	12	39.7 Å²	39.7	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-26.9	179.6	0	0	0	0	0	113.6	Y185 G525	Y185-A521 HydrophobicContact CE1-CB 4.09Å; Y185-A521 WeakPolarHBondContact OH-CB 3.43Å; Y185-A521 PolarHBondContact OH-O 3.4Å; A521-G525 PolarHBondContact O-N 3.09Å; A521-G525 VanDerWaalsContact O-N 3.09Å
522	K	97	Very high	94.5	Very high	75 Å²	75	43.8 Å²	43.8	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-57.1	175	-179.1	-170.8	166.2	-174.1	0	110.9	Y185 N520 R524 G525 E526	Y185-K522 HydrophobicContact CD1-CB 4Å; Y185-K522 HydrophobicContact CD2-CB 3.6Å; Y185-K522 HydrophobicContact CD2-CD 4.39Å; Y185-K522 HydrophobicContact CD2-CG 3.63Å; Y185-K522 HydrophobicContact CE1-CB 4.23Å; Y185-K522 HydrophobicContact CE2-CB 3.85Å; Y185-K522 HydrophobicContact CE2-CG 4.17Å; Y185-K522 HydrophobicContact CG-CB 3.67Å; Y185-K522 HydrophobicContact CG-CD 4.35Å; Y185-K522 HydrophobicContact CG-CG 3.95Å; N520-K522 VanDerWaalsContact C-N 3.28Å; N520-K522 PolarHBondContact O-N 3.44Å; N520-K522 WeakPolarHBondContact OD1-CB 3.36Å; N520-K522 PolarHBondContact OD1-N 3.15Å; K522-R524 VanDerWaalsContact C-N 3.3Å; K522-R524 PolarHBondContact O-N 2.66Å; K522-G525 WeakPolarHBondContact O-CA 3.26Å; K522-G525 PolarHBondContact O-N 2.91Å; K522-E526 WeakPolarHBondContact CE-OE1 3.47Å; K522-E526 WeakPolarHBondContact CE-OE2 3.38Å; K522-E526 HydrophobicContact CG-CG 4.45Å; K522-E526 IonicContact NZ-OE1 2.77Å; K522-E526 PolarHBondContact O-N 2.79Å
523	E	95.5	Very high	94.5	Very high	61 Å²	61	43.4 Å²	43.4	29%	0.285	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-37.9	179.8	-71	161.6	-153.3	0	0	112.4	C518 N519 N520 G525 E526 K527	C518-E523 HydrophobicContact CB-CB 3.55Å; C518-E523 WeakPolarHBondContact CB-OE2 3.43Å; N519-E523 WeakPolarHBondContact CB-OE2 3.26Å; N519-E523 PolarHBondContact N-OE2 3.08Å; N520-E523 VanDerWaalsContact ND2-CD 3.29Å; N520-E523 PolarHBondContact ND2-OE1 3.32Å; N520-E523 WeakPolarHBondContact OD1-CG 3.44Å; N520-E523 PolarHBondContact OD1-N 3.5Å; E523-G525 VanDerWaalsContact C-N 3.32Å; E523-G525 PolarHBondContact O-N 3.14Å; E523-E526 PolarHBondContact O-N 2.96Å; E523-K527 WeakPolarHBondContact O-CB 3.36Å; E523-K527 WeakPolarHBondContact O-CG 3.48Å; E523-K527 PolarHBondContact O-N 3.05Å
524	R	94.8	Very high	94.4	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.045	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-37.6	174	-80.1	-169	-69.7	-76.9	-4.7	112.4	L450 L517 C518 N520 K522 H528 T529	L450-R524 PolarHBondContact O-NH2 2.87Å; L517-R524 VanDerWaalsContact O-CD 3.23Å; L517-R524 WeakPolarHBondContact O-CD 3.5Å; L517-R524 VanDerWaalsContact O-CG 3.24Å; L517-R524 WeakPolarHBondContact O-CG 3.25Å; L517-R524 PolarHBondContact O-NH1 2.94Å; C518-R524 HydrophobicContact CB-CG 3.86Å; N520-R524 PolarHBondContact O-N 2.75Å; K522-R524 VanDerWaalsContact C-N 3.3Å; K522-R524 PolarHBondContact O-N 2.66Å; R524-H528 PolarHBondContact O-N 3.44Å; R524-T529 HydrophobicContact CB-CG2 4.49Å; R524-T529 WeakPolarHBondContact CB-OG1 3.44Å; R524-T529 HydrophobicContact CG-CG2 4.32Å; R524-T529 WeakPolarHBondContact CG-OG1 3.32Å; R524-T529 PolarHBondContact O-N 2.87Å; R524-T529 PolarHBondContact O-OG1 2.92Å
525	G	94.5	Very high	94.3	Very high	44 Å²	44	43.3 Å²	43.3	45%	0.454	21%	0.214	S	C	.	.	H	α-helix	trans	-66.4	-50.3	171.8	0	0	0	0	0	112.5	A521 K522 E523 K527 H528	A521-G525 PolarHBondContact O-N 3.09Å; A521-G525 VanDerWaalsContact O-N 3.09Å; K522-G525 WeakPolarHBondContact O-CA 3.26Å; K522-G525 PolarHBondContact O-N 2.91Å; E523-G525 VanDerWaalsContact C-N 3.32Å; E523-G525 PolarHBondContact O-N 3.14Å; G525-K527 VanDerWaalsContact C-N 3.3Å; G525-K527 PolarHBondContact O-N 2.69Å; G525-H528 WeakPolarHBondContact O-CA 3.17Å; G525-H528 PolarHBondContact O-N 3.08Å
526	E	95	Very high	94.3	Very high	122 Å²	122	42.9 Å²	42.9	57%	0.57	21%	0.211	S	C	*	.	H	α-helix	trans	-63.1	-31.8	-178.4	-70.5	175.8	151.4	0	0	113.3	K522 E523	K522-E526 WeakPolarHBondContact CE-OE1 3.47Å; K522-E526 WeakPolarHBondContact CE-OE2 3.38Å; K522-E526 HydrophobicContact CG-CG 4.45Å; K522-E526 IonicContact NZ-OE1 2.77Å; K522-E526 PolarHBondContact O-N 2.79Å; E523-E526 PolarHBondContact O-N 2.96Å
527	K	92.8	Very high	94.2	Very high	64 Å²	64	42.8 Å²	42.8	28%	0.278	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.3	173.1	-60.1	-70.6	-167.4	159.5	0	113.5	I124 E464 E523 G525 T529 R532	I124-K527 HydrophobicContact CD1-CG 4.47Å; I124-K527 HydrophobicContact CG2-CB 4.33Å; I124-K527 HydrophobicContact CG2-CD 3.79Å; I124-K527 HydrophobicContact CG2-CG 4.14Å; E464-K527 IonicContact OE1-NZ 2.78Å; E464-K527 PolarHBondContact OE1-NZ 3.2Å; E464-K527 IonicContact OE2-NZ 3.38Å; E464-K527 PolarHBondContact OE2-NZ 2.83Å; E523-K527 WeakPolarHBondContact O-CB 3.36Å; E523-K527 WeakPolarHBondContact O-CG 3.48Å; E523-K527 PolarHBondContact O-N 3.05Å; G525-K527 VanDerWaalsContact C-N 3.3Å; G525-K527 PolarHBondContact O-N 2.69Å; K527-T529 VanDerWaalsContact C-N 3.29Å; K527-T529 HydrophobicContact CB-CG2 3.96Å; K527-T529 PolarHBondContact O-N 3.38Å; K527-R532 PolarHBondContact O-NH1 3.15Å
528	H	93.6	Very high	94	Very high	98 Å²	98	43.2 Å²	43.2	45%	0.454	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	38	-177.1	-68.6	-101.3	0	0	0	113.9	R524 G525 Q530 E531 R532	R524-H528 PolarHBondContact O-N 3.44Å; G525-H528 WeakPolarHBondContact O-CA 3.17Å; G525-H528 PolarHBondContact O-N 3.08Å; H528-Q530 PolarHBondContact O-N 3.33Å; H528-E531 IonicContact CE1-OE2 2.86Å; H528-E531 IonicContact CG-OE2 3.55Å; H528-E531 IonicContact ND1-OE2 2.67Å; H528-E531 PolarHBondContact ND1-OE2 3.44Å; H528-E531 PolarHBondContact O-N 3.33Å; H528-E531 VanDerWaalsContact O-N 3.17Å; H528-R532 HydrophobicContact CB-CG 4.25Å; H528-R532 WeakPolarHBondContact O-CB 3.48Å; H528-R532 WeakPolarHBondContact O-CD 3.31Å; H528-R532 VanDerWaalsContact O-CG 3.31Å; H528-R532 WeakPolarHBondContact O-CG 3.46Å; H528-R532 PolarHBondContact O-N 2.74Å
529	T	92.5	Very high	93.8	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-43.4	-169.6	63	0	0	0	0	112.6	I124 F130 R524 K527 E531 R532 T533	I124-T529 HydrophobicContact CD1-CG2 4.41Å; F130-T529 HydrophobicContact CZ-CG2 4.37Å; R524-T529 HydrophobicContact CB-CG2 4.49Å; R524-T529 WeakPolarHBondContact CB-OG1 3.44Å; R524-T529 HydrophobicContact CG-CG2 4.32Å; R524-T529 WeakPolarHBondContact CG-OG1 3.32Å; R524-T529 PolarHBondContact O-N 2.87Å; R524-T529 PolarHBondContact O-OG1 2.92Å; K527-T529 VanDerWaalsContact C-N 3.29Å; K527-T529 HydrophobicContact CB-CG2 3.96Å; K527-T529 PolarHBondContact O-N 3.38Å; T529-E531 PolarHBondContact O-N 2.04Å; T529-E531 VanDerWaalsContact O-N 3.12Å; T529-R532 PolarHBondContact O-N 3.17Å; T529-R532 VanDerWaalsContact O-N 3.1Å; T529-T533 WeakPolarHBondContact O-CB 3.42Å; T529-T533 PolarHBondContact O-N 3.16Å; T529-T533 PolarHBondContact O-OG1 3.05Å
530	Q	89.4	Confident	93.7	Very high	124 Å²	124	43 Å²	43	58%	0.579	21%	0.212	S	C	*	.	H	α-helix	trans	-62.9	-17.5	179.5	-67.7	-176.6	-18.1	0	0	114.3	H528	H528-Q530 PolarHBondContact O-N 3.33Å
531	E	89.6	Confident	93.4	Very high	127 Å²	127	47.9 Å²	47.9	59%	0.593	23%	0.229	S	C	*	.	H	α-helix	trans	-102.5	-11	179.9	-58.1	-179.9	138.7	0	0	112.5	H133 H528 T529	H133-E531 PolarHBondContact CE1-O 3.34Å; H528-E531 IonicContact CE1-OE2 2.86Å; H528-E531 IonicContact CG-OE2 3.55Å; H528-E531 IonicContact ND1-OE2 2.67Å; H528-E531 PolarHBondContact ND1-OE2 3.44Å; H528-E531 PolarHBondContact O-N 3.33Å; H528-E531 VanDerWaalsContact O-N 3.17Å; T529-E531 PolarHBondContact O-N 2.04Å; T529-E531 VanDerWaalsContact O-N 3.12Å
532	R	92.3	Very high	93	Very high	88 Å²	88	48.7 Å²	48.7	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-126.9	1.7	-169.5	-62.2	171.3	67.9	-147.6	5.6	113.6	E125 F130 H133 K527 H528 T529	E125-R532 IonicContact OE1-CZ 2.67Å; E125-R532 VanDerWaalsContact OE1-CZ 3.25Å; E125-R532 IonicContact OE1-NH1 2.66Å; E125-R532 PolarHBondContact OE1-NH1 3.27Å; E125-R532 IonicContact OE1-NH2 2.78Å; E125-R532 PolarHBondContact OE1-NH2 3.06Å; F130-R532 HydrophobicContact CD1-CB 3.88Å; F130-R532 HydrophobicContact CE1-CB 3.91Å; H133-R532 WeakPolarHBondContact CB-O 3.29Å; H133-R532 VanDerWaalsContact CG-C 3.48Å; H133-R532 PolarHBondContact ND1-O 3.06Å; K527-R532 PolarHBondContact O-NH1 3.15Å; H528-R532 HydrophobicContact CB-CG 4.25Å; H528-R532 WeakPolarHBondContact O-CB 3.48Å; H528-R532 WeakPolarHBondContact O-CD 3.31Å; H528-R532 VanDerWaalsContact O-CG 3.31Å; H528-R532 WeakPolarHBondContact O-CG 3.46Å; H528-R532 PolarHBondContact O-N 2.74Å; T529-R532 PolarHBondContact O-N 3.17Å; T529-R532 VanDerWaalsContact O-N 3.1Å
533	T	94.3	Very high	92.4	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.037	25%	0.252	C	S	.	.	S	Bend	trans	-143.4	156.2	179.5	65.4	0	0	0	0	110.1	F130 H133 G514 T529	F130-T533 HydrophobicContact CD1-CG2 3.81Å; F130-T533 HydrophobicContact CD2-CG2 3.98Å; F130-T533 HydrophobicContact CE1-CG2 3.73Å; F130-T533 HydrophobicContact CE2-CG2 3.86Å; F130-T533 HydrophobicContact CG-CG2 3.94Å; F130-T533 HydrophobicContact CZ-CG2 3.75Å; H133-T533 VanDerWaalsContact CD2-C 3.47Å; G514-T533 VanDerWaalsContact CA-OG1 3.28Å; G514-T533 WeakPolarHBondContact CA-OG1 3.44Å; T529-T533 WeakPolarHBondContact O-CB 3.42Å; T529-T533 PolarHBondContact O-N 3.16Å; T529-T533 PolarHBondContact O-OG1 3.05Å
534	C	93.9	Very high	92.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	24%	0.243	C	C	.	.			trans	-83.4	148.8	172.6	-55.7	0	0	0	0	110.8	Y132 C151 F513 G514	Y132-C534 HydrophobicContact CD1-CB 4.25Å; Y132-C534 HydrophobicContact CE1-CB 4.1Å; C151-C534 HydrophobicContact CB-CB 3.57Å; C151-C534 WeakPolarHBondContact CB-SG 3.43Å; C151-C534 CarbonylContact O-C 3.59Å; C151-C534 WeakPolarHBondContact O-CA 3.37Å; C151-C534 WeakPolarHBondContact SG-CB 3.42Å; C151-C534 CovalentContact SG-SG 2.04Å; C151-C534 PolarHBondContact SG-SG 2.7Å; F513-C534 CarbonylContact C-O 3.54Å; F513-C534 VanDerWaalsContact CA-O 3.22Å; F513-C534 WeakPolarHBondContact CA-O 3.2Å; F513-C534 WeakPolarHBondContact CB-O 3.48Å; F513-C534 HydrophobicContact CD1-CB 4.05Å; F513-C534 HydrophobicContact CE1-CB 4.4Å; G514-C534 PolarHBondContact N-O 2.79Å
535	S	94.3	Very high	91.9	Very high	12 Å²	12	54.2 Å²	54.2	8%	0.084	28%	0.279	C	S	.	.			trans	-89.9	140	175.1	-175.4	0	0	0	0	112.3	C151 F513 T515 W537 S538	C151-S535 PolarHBondContact O-N 3.48Å; F513-S535 VanDerWaalsContact CD1-C 3.48Å; T515-S535 WeakPolarHBondContact OG1-CA 3.34Å; T515-S535 PolarHBondContact OG1-OG 3.15Å; T515-S535 VanDerWaalsContact OG1-OG 3.05Å; S535-W537 PolarHBondContact O-N 3.23Å; S535-W537 VanDerWaalsContact O-N 3.14Å; S535-W537 PolarHBondContact OG-N 3.02Å; S535-S538 PolarHBondContact O-N 2.75Å; S535-S538 VanDerWaalsContact O-N 3.15Å; S535-S538 PolarHBondContact O-OG 2.97Å; S535-S538 VanDerWaalsContact O-OG 3.08Å
536	V	95.8	Very high	91.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-22.5	177.2	74.6	0	0	0	0	112.5	L504 H507 F513 T515 F516 S538 L539 L540	L504-V536 HydrophobicContact CD1-CG1 4.43Å; H507-V536 HydrophobicContact CB-CG2 3.65Å; F513-V536 HydrophobicContact CB-CB 3.94Å; F513-V536 HydrophobicContact CD1-CB 4.47Å; F513-V536 HydrophobicContact CD2-CB 3.79Å; F513-V536 HydrophobicContact CD2-CG2 3.67Å; F513-V536 HydrophobicContact CE2-CB 4.39Å; F513-V536 HydrophobicContact CE2-CG2 3.96Å; F513-V536 HydrophobicContact CG-CB 3.82Å; F513-V536 HydrophobicContact CG-CG2 4.24Å; T515-V536 HydrophobicContact CG2-CG1 3.87Å; T515-V536 PolarHBondContact OG1-N 3.4Å; F516-V536 HydrophobicContact CE2-CG1 4.02Å; V536-S538 PolarHBondContact O-N 3.36Å; V536-L539 WeakPolarHBondContact O-CB 3.28Å; V536-L539 PolarHBondContact O-N 3.27Å; V536-L540 HydrophobicContact CG2-CD1 3.86Å; V536-L540 HydrophobicContact CG2-CG 4.21Å; V536-L540 PolarHBondContact O-N 3.1Å
537	W	95.3	Very high	91.8	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-17.2	178.3	-51.6	141.1	0	0	0	113.9	P153 Q442 V445 E446 L504 T515 F516 S535 L540 R541	P153-W537 HydrophobicContact CB-CB 4.5Å; Q442-W537 HydrophobicContact CB-CD2 4.01Å; Q442-W537 HydrophobicContact CB-CE3 4.23Å; Q442-W537 HydrophobicContact CB-CG 4.35Å; Q442-W537 HydrophobicContact CG-CD2 3.72Å; Q442-W537 HydrophobicContact CG-CE3 3.53Å; Q442-W537 HydrophobicContact CG-CG 4.15Å; Q442-W537 HydrophobicContact CG-CZ3 3.98Å; V445-W537 HydrophobicContact CB-CH2 3.98Å; V445-W537 HydrophobicContact CB-CZ2 3.95Å; V445-W537 HydrophobicContact CG1-CH2 3.94Å; V445-W537 HydrophobicContact CG1-CZ2 3.82Å; V445-W537 HydrophobicContact CG2-CH2 4.31Å; E446-W537 HydrophobicContact CG-CZ2 4.41Å; E446-W537 PolarHBondContact OE1-NE1 2.8Å; L504-W537 HydrophobicContact CD1-CH2 3.8Å; L504-W537 HydrophobicContact CD1-CZ3 3.66Å; L504-W537 HydrophobicContact CD2-CH2 4.45Å; T515-W537 HydrophobicContact CG2-CZ2 4.02Å; F516-W537 HydrophobicContact CZ-CH2 4.24Å; F516-W537 HydrophobicContact CZ-CZ2 4.42Å; S535-W537 PolarHBondContact O-N 3.23Å; S535-W537 VanDerWaalsContact O-N 3.14Å; S535-W537 PolarHBondContact OG-N 3.02Å; W537-L540 HydrophobicContact CE3-CB 4.34Å; W537-L540 HydrophobicContact CE3-CD1 4.26Å; W537-L540 HydrophobicContact CZ3-CD1 4.09Å; W537-L540 CarbonylContact O-C 3.57Å; W537-R541 WeakPolarHBondContact O-CA 3.5Å; W537-R541 WeakPolarHBondContact O-CB 3.46Å; W537-R541 PolarHBondContact O-N 3.01Å
538	S	90.1	Very high	91.9	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	25%	0.248	C	C	.	.	H	α-helix	trans	-75.2	-32.8	172.5	75.3	0	0	0	0	111.8	L150 S535 V536 R541	L150-S538 WeakPolarHBondContact O-CB 3.14Å; L150-S538 PolarHBondContact O-OG 2.63Å; S535-S538 PolarHBondContact O-N 2.75Å; S535-S538 VanDerWaalsContact O-N 3.15Å; S535-S538 PolarHBondContact O-OG 2.97Å; S535-S538 VanDerWaalsContact O-OG 3.08Å; V536-S538 PolarHBondContact O-N 3.36Å; S538-R541 VanDerWaalsContact O-CD 3.26Å; S538-R541 WeakPolarHBondContact O-CD 3.35Å; S538-R541 VanDerWaalsContact O-CG 3.32Å; S538-R541 WeakPolarHBondContact O-CG 3.45Å; S538-R541 PolarHBondContact O-NH1 3.04Å
539	L	90.9	Very high	92	Very high	24 Å²	24	45.2 Å²	45.2	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-70.5	-54.1	168.6	172.5	66.1	0	0	0	110.3	F513 V536 R541 F547 D1017	F513-L539 HydrophobicContact CE2-CB 4.5Å; F513-L539 HydrophobicContact CE2-CD2 3.89Å; F513-L539 HydrophobicContact CZ-CB 3.9Å; F513-L539 HydrophobicContact CZ-CD2 3.94Å; V536-L539 WeakPolarHBondContact O-CB 3.28Å; V536-L539 PolarHBondContact O-N 3.27Å; L539-R541 PolarHBondContact O-N 3.49Å; L539-F547 HydrophobicContact CD1-CE2 4.45Å; L539-F547 HydrophobicContact CG-CE2 4.37Å; L539-D1017 WeakPolarHBondContact CD1-O 3.38Å
540	L	93.8	Very high	92.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-81.5	27.7	-175.5	-60.7	-178.9	0	0	0	113.7	I438 Q442 F500 K503 L504 V536 W537 F547	I438-L540 WeakPolarHBondContact CG2-O 3.48Å; Q442-L540 PolarHBondContact NE2-O 3.12Å; F500-L540 HydrophobicContact CD2-CB 4.08Å; F500-L540 HydrophobicContact CD2-CD2 4.07Å; F500-L540 HydrophobicContact CD2-CG 4.45Å; F500-L540 HydrophobicContact CE2-CB 3.75Å; F500-L540 HydrophobicContact CE2-CD1 4.34Å; F500-L540 HydrophobicContact CE2-CG 4.44Å; K503-L540 HydrophobicContact CB-CD2 3.91Å; L504-L540 HydrophobicContact CB-CD1 4.23Å; L504-L540 HydrophobicContact CD1-CD1 3.8Å; V536-L540 HydrophobicContact CG2-CD1 3.86Å; V536-L540 HydrophobicContact CG2-CG 4.21Å; V536-L540 PolarHBondContact O-N 3.1Å; W537-L540 HydrophobicContact CE3-CB 4.34Å; W537-L540 HydrophobicContact CE3-CD1 4.26Å; W537-L540 HydrophobicContact CZ3-CD1 4.09Å; W537-L540 CarbonylContact O-C 3.57Å; L540-F547 HydrophobicContact CD2-CD1 4.44Å; L540-F547 HydrophobicContact CD2-CD2 3.88Å; L540-F547 HydrophobicContact CD2-CE1 4.24Å; L540-F547 HydrophobicContact CD2-CE2 3.62Å; L540-F547 HydrophobicContact CD2-CG 4.31Å; L540-F547 HydrophobicContact CD2-CZ 3.83Å
541	R	90.9	Very high	92.3	Very high	119 Å²	119	48.8 Å²	48.8	45%	0.449	26%	0.255	S	S	.	.			trans	-72.4	149.2	-176.6	63.9	-177.8	-176.5	-103.2	7.4	112.5	W537 S538 L539 G543 N544	W537-R541 WeakPolarHBondContact O-CA 3.5Å; W537-R541 WeakPolarHBondContact O-CB 3.46Å; W537-R541 PolarHBondContact O-N 3.01Å; S538-R541 VanDerWaalsContact O-CD 3.26Å; S538-R541 WeakPolarHBondContact O-CD 3.35Å; S538-R541 VanDerWaalsContact O-CG 3.32Å; S538-R541 WeakPolarHBondContact O-CG 3.45Å; S538-R541 PolarHBondContact O-NH1 3.04Å; L539-R541 PolarHBondContact O-N 3.49Å; R541-G543 PolarHBondContact O-N 3.09Å; R541-N544 HydrophobicContact CG-CB 4.31Å; R541-N544 WeakPolarHBondContact O-CB 3.19Å; R541-N544 PolarHBondContact O-N 2.78Å
542	A	87.1	Confident	92.6	Very high	30 Å²	30	45.4 Å²	45.4	25%	0.248	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.5	179.9	0	0	0	0	0	114.6	I438 E439 N544	I438-A542 HydrophobicContact CB-CB 4.11Å; I438-A542 HydrophobicContact CD1-CB 4.4Å; I438-A542 HydrophobicContact CG2-CB 3.98Å; E439-A542 HydrophobicContact CG-CB 4.18Å; A542-N544 VanDerWaalsContact C-N 3.34Å
543	G	85.1	Confident	92.6	Very high	64 Å²	64	43.3 Å²	43.3	66%	0.66	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.8	172	0	0	0	0	0	115	R541 K545	R541-G543 PolarHBondContact O-N 3.09Å; G543-K545 PolarHBondContact O-N 2.73Å
544	N	88.4	Confident	92.4	Very high	18 Å²	18	47.9 Å²	47.9	10%	0.096	27%	0.268	C	S	.	.			trans	-82	109.3	174.3	-172.7	-18.3	0	0	0	109.7	R541 A542 A546 F547	R541-N544 HydrophobicContact CG-CB 4.31Å; R541-N544 WeakPolarHBondContact O-CB 3.19Å; R541-N544 PolarHBondContact O-N 2.78Å; A542-N544 VanDerWaalsContact C-N 3.34Å; N544-A546 VanDerWaalsContact C-N 3.3Å; N544-A546 PolarHBondContact O-N 2.94Å; N544-A546 WeakPolarHBondContact OD1-CB 3.38Å; N544-A546 PolarHBondContact OD1-N 2.75Å; N544-F547 HydrophobicContact CB-CD2 3.95Å; N544-F547 HydrophobicContact CB-CE2 4.33Å; N544-F547 WeakPolarHBondContact ND2-CE2 3.49Å; N544-F547 PolarHBondContact O-N 3.04Å
545	K	90.9	Very high	91.9	Very high	181 Å²	181	56.4 Å²	56.4	79%	0.787	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.8	-23.4	-174.8	-64	-179.2	-177.1	175.6	0	113.3	G543 F547 K548	G543-K545 PolarHBondContact O-N 2.73Å; K545-F547 PolarHBondContact O-N 2.72Å; K545-F547 VanDerWaalsContact O-N 3.17Å; K545-K548 PolarHBondContact O-N 3.2Å; K545-K548 VanDerWaalsContact O-N 3.13Å
546	A	91.8	Very high	91.3	Very high	40 Å²	40	57.1 Å²	57.1	33%	0.331	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.6	-23.2	178.8	0	0	0	0	0	112.7	N497 N544 D1017	N497-A546 PolarHBondContact ND2-O 3.08Å; N544-A546 VanDerWaalsContact C-N 3.3Å; N544-A546 PolarHBondContact O-N 2.94Å; N544-A546 WeakPolarHBondContact OD1-CB 3.38Å; N544-A546 PolarHBondContact OD1-N 2.75Å; A546-D1017 HydrophobicContact CB-CB 3.93Å
547	F	95.4	Very high	90.7	Very high	5 Å²	5	62.8 Å²	62.8	2%	0.022	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-97	-2.5	179.8	-60.3	-43	0	0	0	114.6	F496 N497 A499 F500 K503 L539 L540 N544 K545	F496-F547 CarbonylContact C-O 3.59Å; F496-F547 WeakPolarHBondContact CA-O 3.5Å; N497-F547 PolarHBondContact N-O 3.36Å; N497-F547 PolarHBondContact OD1-O 3.34Å; A499-F547 HydrophobicContact CB-CD1 4.39Å; F500-F547 HydrophobicContact CB-CB 4.04Å; F500-F547 HydrophobicContact CB-CD1 4.16Å; F500-F547 HydrophobicContact CB-CG 4.29Å; F500-F547 HydrophobicContact CD2-CB 4.04Å; F500-F547 HydrophobicContact CD2-CG 4.32Å; K503-F547 HydrophobicContact CB-CE1 4.46Å; K503-F547 HydrophobicContact CG-CE1 3.84Å; K503-F547 HydrophobicContact CG-CZ 4.17Å; L539-F547 HydrophobicContact CD1-CE2 4.45Å; L539-F547 HydrophobicContact CG-CE2 4.37Å; L540-F547 HydrophobicContact CD2-CD1 4.44Å; L540-F547 HydrophobicContact CD2-CD2 3.88Å; L540-F547 HydrophobicContact CD2-CE1 4.24Å; L540-F547 HydrophobicContact CD2-CE2 3.62Å; L540-F547 HydrophobicContact CD2-CG 4.31Å; L540-F547 HydrophobicContact CD2-CZ 3.83Å; N544-F547 HydrophobicContact CB-CD2 3.95Å; N544-F547 HydrophobicContact CB-CE2 4.33Å; N544-F547 WeakPolarHBondContact ND2-CE2 3.49Å; N544-F547 PolarHBondContact O-N 3.04Å; K545-F547 PolarHBondContact O-N 2.72Å; K545-F547 VanDerWaalsContact O-N 3.17Å
548	K	94.9	Very high	90.4	Very high	72 Å²	72	65.6 Å²	65.6	31%	0.313	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-89.6	126.6	-175.2	-157.9	-175.5	-168.7	78.4	0	112	E495 K545 L550	E495-K548 HydrophobicContact CG-CG 4.26Å; E495-K548 CarbonylContact O-C 3.51Å; E495-K548 WeakPolarHBondContact O-CA 2.82Å; E495-K548 IonicContact OE1-NZ 3.4Å; E495-K548 PolarHBondContact OE1-NZ 3.42Å; K545-K548 PolarHBondContact O-N 3.2Å; K545-K548 VanDerWaalsContact O-N 3.13Å; K548-L550 PolarHBondContact O-N 3.14Å
549	N	95.4	Very high	90.8	Very high	22 Å²	22	66 Å²	66	12%	0.118	37%	0.365	C	S	.	.			trans	-70.1	117.8	170	178.6	10.5	0	0	0	110.8	P491 F494 E495 N497 L551 Y552	P491-N549 PolarHBondContact O-ND2 2.99Å; F494-N549 WeakPolarHBondContact O-CB 3.38Å; F494-N549 PolarHBondContact O-ND2 3.4Å; E495-N549 WeakPolarHBondContact O-CB 3.43Å; E495-N549 PolarHBondContact O-N 2.85Å; N497-N549 HydrophobicContact CB-CB 4.33Å; N549-L551 PolarHBondContact O-N 2.91Å; N549-L551 WeakPolarHBondContact OD1-CB 3.4Å; N549-L551 PolarHBondContact OD1-N 2.73Å; N549-Y552 WeakPolarHBondContact O-CB 3.11Å; N549-Y552 PolarHBondContact O-N 3.22Å
550	L	94.1	Very high	91.1	Very high	99 Å²	99	64.9 Å²	64.9	52%	0.518	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	2.5	-179.7	-58.1	-176.2	0	0	0	114.4	K548 K1046	K548-L550 PolarHBondContact O-N 3.14Å; L550-K1046 PolarHBondContact O-NZ 3.26Å; L550-K1046 VanDerWaalsContact O-NZ 3.12Å
551	L	94.4	Very high	91.3	Very high	102 Å²	102	68.3 Å²	68.3	53%	0.534	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-4.7	171.7	-56.2	179.9	0	0	0	113	C492 N549 S553	C492-L551 WeakPolarHBondContact CA-O 3.07Å; C492-L551 WeakPolarHBondContact CB-O 3.31Å; C492-L551 PolarHBondContact SG-O 2.84Å; N549-L551 PolarHBondContact O-N 2.91Å; N549-L551 WeakPolarHBondContact OD1-CB 3.4Å; N549-L551 PolarHBondContact OD1-N 2.73Å; L551-S553 PolarHBondContact O-N 3.4Å
552	Y	96	Very high	91.6	Very high	56 Å²	56	63 Å²	63	22%	0.22	35%	0.353	C	S	.	.			trans	-60.4	133.4	-176.4	175.8	-120.6	0	0	0	112.5	C492 F494 E495 N549	C492-Y552 WeakPolarHBondContact O-CA 3.24Å; F494-Y552 WeakPolarHBondContact O-CB 3.42Å; F494-Y552 WeakPolarHBondContact O-CD2 3.24Å; E495-Y552 HydrophobicContact CB-CD1 3.71Å; E495-Y552 HydrophobicContact CB-CD2 4.1Å; E495-Y552 HydrophobicContact CB-CE1 3.83Å; E495-Y552 HydrophobicContact CB-CE2 4.21Å; E495-Y552 HydrophobicContact CB-CG 3.85Å; E495-Y552 HydrophobicContact CG-CD1 3.72Å; E495-Y552 HydrophobicContact CG-CE1 3.99Å; E495-Y552 HydrophobicContact CG-CG 4.23Å; N549-Y552 WeakPolarHBondContact O-CB 3.11Å; N549-Y552 PolarHBondContact O-N 3.22Å
553	S	93	Very high	92.1	Very high	43 Å²	43	65.1 Å²	65.1	30%	0.301	36%	0.363	S	S	.	.			trans	-124.4	124.7	171.1	-177	0	0	0	0	110.6	C492 L551 Q555 S556	C492-S553 PolarHBondContact O-N 2.89Å; L551-S553 PolarHBondContact O-N 3.4Å; S553-Q555 PolarHBondContact O-N 3.35Å; S553-Q555 PolarHBondContact OG-N 3.4Å; S553-Q555 VanDerWaalsContact OG-N 3.09Å; S553-S556 VanDerWaalsContact O-CB 3.27Å; S553-S556 WeakPolarHBondContact O-CB 3.19Å; S553-S556 PolarHBondContact O-N 3.48Å; S553-S556 VanDerWaalsContact O-N 3.1Å; S553-S556 PolarHBondContact O-OG 2.88Å
554	S	88.1	Confident	92.8	Very high	103 Å²	103	62.5 Å²	62.5	72%	0.72	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.7	166.7	54	0	0	0	0	113.3
555	Q	84.3	Confident	93.1	Very high	180 Å²	180	66.8 Å²	66.8	84%	0.841	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	19.6	170.4	-56.9	177.2	-5.5	0	0	111.7	S553	S553-Q555 PolarHBondContact O-N 3.35Å; S553-Q555 PolarHBondContact OG-N 3.4Å; S553-Q555 VanDerWaalsContact OG-N 3.09Å
556	S	82.3	Confident	93.4	Very high	26 Å²	26	60.6 Å²	60.6	18%	0.182	33%	0.331	C	S	.	.	S	Bend	trans	-67.3	165.3	169.4	50	0	0	0	0	111.5	R436 S553 A558	R436-S556 PolarHBondContact NH1-OG 3.32Å; S553-S556 VanDerWaalsContact O-CB 3.27Å; S553-S556 WeakPolarHBondContact O-CB 3.19Å; S553-S556 PolarHBondContact O-N 3.48Å; S553-S556 VanDerWaalsContact O-N 3.1Å; S553-S556 PolarHBondContact O-OG 2.88Å; S556-A558 PolarHBondContact O-N 2.96Å
557	E	83	Confident	93.5	Very high	119 Å²	119	69.2 Å²	69.2	56%	0.556	36%	0.355	S	S	*	.			trans	-52.1	137.8	177.6	-64.3	175.8	155.4	0	0	111.4	R436 L560	R436-E557 PolarHBondContact NH1-O 2.72Å; R436-E557 PolarHBondContact NH2-O 3.5Å; E557-L560 HydrophobicContact CB-CD2 3.97Å
558	A	89.1	Confident	93.5	Very high	63 Å²	63	72.4 Å²	72.4	52%	0.521	37%	0.372	S	S	.	.	S	Bend	trans	-69.4	-44.1	-178.4	0	0	0	0	0	111.7	R436 S556	R436-A558 PolarHBondContact NH2-O 3.42Å; S556-A558 PolarHBondContact O-N 2.96Å
559	V	97.4	Very high	93.6	Very high	20 Å²	20	69.4 Å²	69.4	12%	0.121	36%	0.359	C	S	.	.	S	Bend	trans	-116.1	133.8	176.4	-174.8	0	0	0	0	109.5	V399 D403 L430 L431 Y561	V399-V559 HydrophobicContact CG1-CG1 3.5Å; D403-V559 HydrophobicContact CB-CG1 4.48Å; L430-V559 CarbonylContact O-C 3.17Å; L430-V559 VanDerWaalsContact O-CA 3.23Å; L430-V559 WeakPolarHBondContact O-CA 3.37Å; L431-V559 HydrophobicContact CD2-CG1 4.19Å; L431-V559 HydrophobicContact CD2-CG2 4.43Å; V559-Y561 HydrophobicContact CB-CE2 3.96Å; V559-Y561 HydrophobicContact CG1-CD2 4.17Å; V559-Y561 HydrophobicContact CG1-CE2 3.47Å; V559-Y561 VanDerWaalsContact CG1-CE2 3.47Å
560	L	98.2	Very high	93.6	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.379	C	S	.	.			trans	-106.4	135	-178	-56.9	-179.3	0	0	0	111.4	L430 F490 F494 E557 P562	L430-L560 HydrophobicContact CD2-CB 3.78Å; L430-L560 PolarHBondContact O-N 2.9Å; F490-L560 HydrophobicContact CB-CD1 4.24Å; F490-L560 HydrophobicContact CD1-CD2 3.9Å; F490-L560 HydrophobicContact CD2-CB 4.28Å; F490-L560 HydrophobicContact CD2-CD1 3.99Å; F490-L560 HydrophobicContact CE1-CB 4.4Å; F490-L560 HydrophobicContact CE1-CD2 4.21Å; F490-L560 HydrophobicContact CE2-CB 4.02Å; F490-L560 HydrophobicContact CG-CD1 4.06Å; F490-L560 HydrophobicContact CG-CD2 4.11Å; F490-L560 HydrophobicContact CG-CG 4.49Å; F490-L560 HydrophobicContact CZ-CB 4.09Å; F494-L560 HydrophobicContact CE2-CD1 4.16Å; F494-L560 HydrophobicContact CZ-CD1 4.19Å; E557-L560 HydrophobicContact CB-CD2 3.97Å; L560-P562 VanDerWaalsContact O-CD 3.31Å; L560-P562 WeakPolarHBondContact O-CD 3.32Å
561	Y	98.1	Very high	93.6	Very high	73 Å²	73	69.6 Å²	69.6	29%	0.286	36%	0.359	S	S	.	.			trans	-119.3	81.4	-176.3	-73.8	-89.3	0	0	0	111.5	L396 V399 H400 D403 Q404 V559	L396-Y561 HydrophobicContact CD1-CD1 3.85Å; L396-Y561 HydrophobicContact CD1-CE1 4.46Å; V399-Y561 HydrophobicContact CG1-CE1 3.97Å; H400-Y561 AromaticContact CE1-CD1 3.82Å; H400-Y561 AromaticContact CE1-CE1 3.65Å; H400-Y561 AromaticContact ND1-CE1 3.8Å; D403-Y561 PolarHBondContact OD2-OH 3.16Å; Q404-Y561 VanDerWaalsContact CG-OH 3.3Å; Q404-Y561 WeakPolarHBondContact CG-OH 3.26Å; Q404-Y561 VanDerWaalsContact NE2-CE1 3.26Å; Q404-Y561 VanDerWaalsContact NE2-CZ 3.27Å; Q404-Y561 PolarHBondContact NE2-OH 3.38Å; V559-Y561 HydrophobicContact CB-CE2 3.96Å; V559-Y561 HydrophobicContact CG1-CD2 4.17Å; V559-Y561 HydrophobicContact CG1-CE2 3.47Å; V559-Y561 VanDerWaalsContact CG1-CE2 3.47Å
562	P	97.6	Very high	93.7	Very high	7 Å²	7	64.8 Å²	64.8	5%	0.045	33%	0.333	C	S	.	.			trans	-66.3	149.6	-173.9	24.3	-36.4	0	0	0	114.9	L430 L486 F490 L560 C564	L430-P562 HydrophobicContact CD1-CG 4.02Å; L430-P562 HydrophobicContact CD2-CG 3.96Å; L486-P562 HydrophobicContact CD2-CB 3.55Å; L486-P562 HydrophobicContact CD2-CG 3.76Å; F490-P562 HydrophobicContact CE2-CB 4.06Å; L560-P562 VanDerWaalsContact O-CD 3.31Å; L560-P562 WeakPolarHBondContact O-CD 3.32Å; P562-C564 PolarHBondContact O-N 3.39Å; P562-C564 PolarHBondContact O-SG 2.9Å; P562-C564 VanDerWaalsContact O-SG 3.37Å
563	V	97.7	Very high	93.5	Very high	74 Å²	74	65.1 Å²	65.1	45%	0.448	34%	0.344	S	S	.	.			trans	-81.7	98.6	167.9	-175	0	0	0	0	109.1	Q489 H565 N568	Q489-V563 PolarHBondContact NE2-O 2.79Å; V563-H565 VanDerWaalsContact C-N 3.3Å; V563-H565 HydrophobicContact CG1-CB 4.48Å; V563-H565 PolarHBondContact O-N 2.95Å; V563-N568 HydrophobicContact CB-CB 4.31Å; V563-N568 HydrophobicContact CG1-CB 3.91Å; V563-N568 VanDerWaalsContact CG1-CG 3.43Å; V563-N568 WeakPolarHBondContact CG1-OD1 3.27Å
564	C	97.9	Very high	93.4	Very high	9 Å²	9	65.6 Å²	65.6	6%	0.061	35%	0.351	C	S	.	.			trans	-84.2	14.4	-174.9	-46.7	0	0	0	0	115	S389 L392 K393 P562	S389-C564 WeakPolarHBondContact CB-O 3.47Å; S389-C564 PolarHBondContact OG-O 2.89Å; L392-C564 HydrophobicContact CB-CB 3.91Å; K393-C564 HydrophobicContact CD-CB 4.5Å; K393-C564 HydrophobicContact CG-CB 3.62Å; P562-C564 PolarHBondContact O-N 3.39Å; P562-C564 PolarHBondContact O-SG 2.9Å; P562-C564 VanDerWaalsContact O-SG 3.37Å
565	H	96.6	Very high	93.6	Very high	109 Å²	109	60.8 Å²	60.8	51%	0.505	32%	0.317	S	S	.	.			trans	-78.6	140.4	177.9	-100.6	-84.6	0	0	0	111.6	V563 R567 N568	V563-H565 VanDerWaalsContact C-N 3.3Å; V563-H565 HydrophobicContact CG1-CB 4.48Å; V563-H565 PolarHBondContact O-N 2.95Å; H565-R567 HydrophobicContact CB-CG 4.31Å; H565-R567 PolarHBondContact O-N 2.84Å; H565-R567 VanDerWaalsContact O-N 3.11Å; H565-N568 WeakPolarHBondContact CB-OD1 3.49Å; H565-N568 WeakPolarHBondContact O-CB 3.49Å; H565-N568 PolarHBondContact O-N 2.83Å
566	V	96.5	Very high	94	Very high	50 Å²	50	52.2 Å²	52.2	30%	0.303	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-52.7	-37.5	-178.1	178.9	0	0	0	0	112.7	L385 H386 N568 L569	L385-V566 HydrophobicContact CB-CG1 3.96Å; H386-V566 HydrophobicContact CB-CG2 4.44Å; V566-N568 PolarHBondContact O-N 3.41Å; V566-N568 VanDerWaalsContact O-N 3.14Å; V566-L569 PolarHBondContact O-N 3.23Å; V566-L569 VanDerWaalsContact O-N 3.12Å
567	R	93.8	Very high	94.2	Very high	222 Å²	222	53.3 Å²	53.3	84%	0.838	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64.7	-12.4	177.3	73.4	176.1	66.6	158.4	-2.4	114.9	H565	H565-R567 HydrophobicContact CB-CG 4.31Å; H565-R567 PolarHBondContact O-N 2.84Å; H565-R567 VanDerWaalsContact O-N 3.11Å
568	N	95.4	Very high	93.7	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-106.2	-3	179.3	-58.9	91.4	0	0	0	112.4	V563 H565 V566	V563-N568 HydrophobicContact CB-CB 4.31Å; V563-N568 HydrophobicContact CG1-CB 3.91Å; V563-N568 VanDerWaalsContact CG1-CG 3.43Å; V563-N568 WeakPolarHBondContact CG1-OD1 3.27Å; H565-N568 WeakPolarHBondContact CB-OD1 3.49Å; H565-N568 WeakPolarHBondContact O-CB 3.49Å; H565-N568 PolarHBondContact O-N 2.83Å; V566-N568 PolarHBondContact O-N 3.41Å; V566-N568 VanDerWaalsContact O-N 3.14Å
569	L	97.2	Very high	92.1	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.042	30%	0.295	C	S	.	.			trans	-98.9	148.1	174.8	-48.6	-175.4	0	0	0	108.9	L385 L388 L392 Q485 V566	L385-L569 HydrophobicContact CD2-CB 4.3Å; L385-L569 WeakPolarHBondContact O-CD1 3.46Å; L388-L569 HydrophobicContact CB-CD1 3.83Å; L392-L569 HydrophobicContact CD1-CD1 4.17Å; L392-L569 HydrophobicContact CD1-CD2 3.74Å; Q485-L569 HydrophobicContact CB-CD2 4.19Å; Q485-L569 HydrophobicContact CG-CD2 4.1Å; V566-L569 PolarHBondContact O-N 3.23Å; V566-L569 VanDerWaalsContact O-N 3.12Å
570	M	94.4	Very high	89.3	Confident	108 Å²	108	58.4 Å²	58.4	53%	0.532	32%	0.32	S	S	.	.			trans	-129.6	150.2	178.2	-70.1	-179.4	61.7	0	0	111.1	Q485 R488 W572	Q485-M570 PolarHBondContact NE2-O 2.71Å; R488-M570 PolarHBondContact NH2-SD 3.05Å; M570-W572 PolarHBondContact O-N 2.93Å
571	L	94.8	Very high	85.9	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.094	34%	0.341	C	S	.	.			trans	-58.4	131.6	174.9	-175	66.3	0	0	0	110.2	L362 W375 L379 S573 Y576 L577	L362-L571 HydrophobicContact CD1-CD1 3.73Å; L362-L571 HydrophobicContact CD2-CD1 4.08Å; L362-L571 HydrophobicContact CG-CD1 4.42Å; W375-L571 HydrophobicContact CH2-CD2 4.23Å; W375-L571 HydrophobicContact CZ2-CD2 3.83Å; L379-L571 HydrophobicContact CD1-CD1 4.32Å; L571-S573 VanDerWaalsContact C-N 3.27Å; L571-S573 PolarHBondContact O-N 3.44Å; L571-S573 PolarHBondContact O-OG 3.32Å; L571-Y576 HydrophobicContact CD1-CD2 3.52Å; L571-Y576 HydrophobicContact CD1-CE2 4.28Å; L571-Y576 HydrophobicContact CD1-CG 4.34Å; L571-Y576 HydrophobicContact CG-CD2 4.17Å; L571-L577 HydrophobicContact CD2-CD1 4.47Å; L571-L577 HydrophobicContact CD2-CD2 4.24Å; L571-L577 HydrophobicContact CD2-CG 4.33Å
572	W	95.7	Very high	82.7	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.367	C	S	.	.			trans	-75.9	78.2	178.6	-167.8	11	0	0	0	111.4	L477 L480 D481 H484 E498 L501 V502 V505 M570 A574 V575 Y576	L477-W572 HydrophobicContact CD1-CZ3 4.3Å; L480-W572 HydrophobicContact CB-CH2 4.22Å; L480-W572 HydrophobicContact CB-CZ3 3.98Å; D481-W572 HydrophobicContact CB-CE3 3.92Å; D481-W572 HydrophobicContact CB-CZ3 4.41Å; H484-W572 HydrophobicContact CB-CD2 3.99Å; H484-W572 HydrophobicContact CB-CE3 4.3Å; H484-W572 HydrophobicContact CB-CG 4.45Å; H484-W572 HydrophobicContact CB-CH2 4.44Å; H484-W572 HydrophobicContact CB-CZ2 4.13Å; H484-W572 AromaticContact CD2-CD1 3.43Å; H484-W572 VanDerWaalsContact CD2-CD1 3.43Å; H484-W572 AromaticContact CD2-CG 3.92Å; H484-W572 AromaticContact CD2-NE1 3.53Å; H484-W572 VanDerWaalsContact CE1-CB 3.49Å; H484-W572 WeakPolarHBondContact CE1-CB 3.07Å; H484-W572 AromaticContact CE1-CD1 3.57Å; H484-W572 AromaticContact CE1-CG 3.54Å; H484-W572 AromaticContact CG-CD1 3.69Å; H484-W572 AromaticContact CG-CD2 3.77Å; H484-W572 AromaticContact CG-CE2 3.83Å; H484-W572 AromaticContact CG-CG 3.71Å; H484-W572 AromaticContact CG-NE1 3.77Å; H484-W572 AromaticContact ND1-CD1 3.77Å; H484-W572 AromaticContact ND1-CD2 3.84Å; H484-W572 AromaticContact ND1-CG 3.46Å; H484-W572 AromaticContact NE2-CD1 3.38Å; H484-W572 AromaticContact NE2-CG 3.84Å; H484-W572 AromaticContact NE2-NE1 3.97Å; E498-W572 VanDerWaalsContact OE1-CD1 3.24Å; E498-W572 PolarHBondContact OE1-NE1 3.5Å; L501-W572 HydrophobicContact CB-CH2 3.77Å; L501-W572 HydrophobicContact CB-CZ2 3.72Å; V502-W572 HydrophobicContact CG2-CZ2 3.84Å; V505-W572 HydrophobicContact CG2-CH2 3.75Å; V505-W572 HydrophobicContact CG2-CZ3 3.85Å; M570-W572 PolarHBondContact O-N 2.93Å; W572-A574 VanDerWaalsContact C-N 3.28Å; W572-A574 PolarHBondContact O-N 2.88Å; W572-V575 HydrophobicContact CD2-CB 4.11Å; W572-V575 HydrophobicContact CD2-CG2 3.52Å; W572-V575 VanDerWaalsContact CE2-CG2 3.47Å; W572-V575 HydrophobicContact CE3-CB 4.25Å; W572-V575 HydrophobicContact CE3-CG2 3.73Å; W572-V575 HydrophobicContact CG-CB 4.36Å; W572-V575 HydrophobicContact CG-CG2 4.13Å; W572-V575 HydrophobicContact CH2-CG2 3.85Å; W572-V575 HydrophobicContact CZ2-CG2 3.65Å; W572-V575 HydrophobicContact CZ3-CG2 3.89Å; W572-V575 PolarHBondContact O-N 3.31Å; W572-Y576 HydrophobicContact CB-CD2 3.85Å; W572-Y576 HydrophobicContact CB-CE2 3.66Å; W572-Y576 WeakPolarHBondContact O-CD2 3.39Å; W572-Y576 PolarHBondContact O-N 2.68Å
573	S	91.8	Very high	79.3	Confident	64 Å²	64	68.7 Å²	68.7	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-56.9	-35.9	-170.9	-60.1	0	0	0	0	114.1	L571 V575 L577	L571-S573 VanDerWaalsContact C-N 3.27Å; L571-S573 PolarHBondContact O-N 3.44Å; L571-S573 PolarHBondContact O-OG 3.32Å; S573-V575 PolarHBondContact O-N 3.28Å; S573-L577 WeakPolarHBondContact O-CB 3.47Å; S573-L577 PolarHBondContact O-N 2.97Å
574	A	91.9	Very high	75.9	Confident	53 Å²	53	69.8 Å²	69.8	44%	0.438	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-22.6	179.1	0	0	0	0	0	113.9	E498 V502 W572	E498-A574 VanDerWaalsContact OE1-CB 3.29Å; E498-A574 WeakPolarHBondContact OE1-CB 3.47Å; V502-A574 HydrophobicContact CG2-CB 4.06Å; W572-A574 VanDerWaalsContact C-N 3.28Å; W572-A574 PolarHBondContact O-N 2.88Å
575	V	92.8	Very high	72.5	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.006	44%	0.436	C	S	.	.	H	α-helix	trans	-98.9	-49.3	173.8	-178.7	0	0	0	0	111	D93 K95 L477 V502 V505 W572 S573	D93-V575 HydrophobicContact CB-CG1 4.42Å; K95-V575 PolarHBondContact NZ-O 3.28Å; L477-V575 HydrophobicContact CD1-CG1 4.21Å; V502-V575 HydrophobicContact CG2-CG2 3.98Å; V505-V575 HydrophobicContact CG1-CG1 3.96Å; W572-V575 HydrophobicContact CD2-CB 4.11Å; W572-V575 HydrophobicContact CD2-CG2 3.52Å; W572-V575 VanDerWaalsContact CE2-CG2 3.47Å; W572-V575 HydrophobicContact CE3-CB 4.25Å; W572-V575 HydrophobicContact CE3-CG2 3.73Å; W572-V575 HydrophobicContact CG-CB 4.36Å; W572-V575 HydrophobicContact CG-CG2 4.13Å; W572-V575 HydrophobicContact CH2-CG2 3.85Å; W572-V575 HydrophobicContact CZ2-CG2 3.65Å; W572-V575 HydrophobicContact CZ3-CG2 3.89Å; W572-V575 PolarHBondContact O-N 3.31Å; S573-V575 PolarHBondContact O-N 3.28Å
576	Y	92.3	Very high	69.4	Low	1 Å²	1	75.8 Å²	75.8	0%	0.004	45%	0.449	C	S	.	.	H	α-helix	trans	-91.8	-14.9	-164.9	-54.4	-41.4	0	0	0	115.8	C94 F359 L362 C366 W384 L477 D481 L571 W572	C94-Y576 HydrophobicContact CB-CD1 3.52Å; C94-Y576 HydrophobicContact CB-CE1 4.32Å; C94-Y576 HydrophobicContact CB-CG 4.26Å; F359-Y576 HydrophobicContact CE2-CD1 4.28Å; F359-Y576 AromaticContact CE2-CE1 3.78Å; F359-Y576 HydrophobicContact CE2-CE1 3.78Å; F359-Y576 HydrophobicContact CZ-CE1 4.35Å; L362-Y576 HydrophobicContact CD2-CD2 4.21Å; L362-Y576 HydrophobicContact CD2-CE2 4.38Å; L362-Y576 HydrophobicContact CD2-CG 4.4Å; C366-Y576 WeakPolarHBondContact CB-O 3.34Å; C366-Y576 PolarHBondContact SG-O 2.67Å; W384-Y576 WeakPolarHBondContact CZ2-OH 3.45Å; W384-Y576 AromaticContact NE1-CE2 3.83Å; L477-Y576 HydrophobicContact CD1-CE1 4.05Å; L477-Y576 HydrophobicContact CD2-CE1 4.19Å; L477-Y576 HydrophobicContact CG-CE1 4.31Å; D481-Y576 WeakPolarHBondContact OD2-CE2 3.47Å; D481-Y576 PolarHBondContact OD2-OH 2.88Å; L571-Y576 HydrophobicContact CD1-CD2 3.52Å; L571-Y576 HydrophobicContact CD1-CE2 4.28Å; L571-Y576 HydrophobicContact CD1-CG 4.34Å; L571-Y576 HydrophobicContact CG-CD2 4.17Å; W572-Y576 HydrophobicContact CB-CD2 3.85Å; W572-Y576 HydrophobicContact CB-CE2 3.66Å; W572-Y576 WeakPolarHBondContact O-CD2 3.39Å; W572-Y576 PolarHBondContact O-N 2.68Å
577	L	86.1	Confident	66.1	Low	48 Å²	48	80 Å²	80	25%	0.251	47%	0.469	S	S	.	.	S	Bend	trans	-108	155.4	175.9	-59.7	-179.5	0	0	0	110.4	C366 W375 L571 S573	C366-L577 HydrophobicContact CB-CD2 4.03Å; W375-L577 HydrophobicContact CH2-CD2 4.49Å; L571-L577 HydrophobicContact CD2-CD1 4.47Å; L571-L577 HydrophobicContact CD2-CD2 4.24Å; L571-L577 HydrophobicContact CD2-CG 4.33Å; S573-L577 WeakPolarHBondContact O-CB 3.47Å; S573-L577 PolarHBondContact O-N 2.97Å
578	P	72	Confident	63.1	Low	95 Å²	95	77 Å²	77	62%	0.617	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-56.5	139.1	164.5	-21.3	33.5	0	0	0	110	P580	P578-P580 WeakPolarHBondContact O-CD 3.36Å
579	C	56.7	Low	60	Low	115 Å²	115	77.6 Å²	77.6	78%	0.777	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-60.9	123.7	176.2	-172.8	0	0	0	0	109.3	S581	C579-S581 PolarHBondContact O-N 2.91Å
580	P	38.3	Very low	56.8	Low	100 Å²	100	83.9 Å²	83.9	65%	0.649	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-65	124.5	174.4	27	-32.9	0	0	0	108.9	P578	P578-P580 WeakPolarHBondContact O-CD 3.36Å
581	S	27.4	Very low	53.7	Low	62 Å²	62	82.6 Å²	82.6	43%	0.434	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-52.8	138.9	170.5	-54.6	0	0	0	0	109.5	C579 T583 T584	C579-S581 PolarHBondContact O-N 2.91Å; S581-T583 VanDerWaalsContact CB-OG1 3.31Å; S581-T583 WeakPolarHBondContact CB-OG1 3.21Å; S581-T583 PolarHBondContact O-N 2.92Å; S581-T584 PolarHBondContact O-N 3.01Å
582	P	30.1	Very low	50.8	Low	128 Å²	128	86.9 Å²	86.9	83%	0.831	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	36	179.5	32.3	-37.2	0	0	0	113
583	T	26.6	Very low	47.6	Very low	105 Å²	105	97.1 Å²	97.1	64%	0.644	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	-9.5	-174.2	49.5	0	0	0	0	113.3	S581 P585	S581-T583 VanDerWaalsContact CB-OG1 3.31Å; S581-T583 WeakPolarHBondContact CB-OG1 3.21Å; S581-T583 PolarHBondContact O-N 2.92Å; T583-P585 WeakPolarHBondContact O-CD 3.2Å
584	T	25.5	Very low	44.7	Very low	98 Å²	98	100.1 Å²	100.1	60%	0.601	62%	0.616	S	S	*	*	S	Bend	trans	-75.6	118.6	155.3	47.6	0	0	0	0	108.3	S581	S581-T584 PolarHBondContact O-N 3.01Å
585	P	27.2	Very low	41.8	Very low	116 Å²	116	102.2 Å²	102.2	75%	0.753	63%	0.633	S	S	*	*			trans	-60.8	144.5	168.8	28.2	-33.8	0	0	0	109	T583 D587	T583-P585 WeakPolarHBondContact O-CD 3.2Å; P585-D587 PolarHBondContact O-N 3.14Å; P585-D587 VanDerWaalsContact O-N 3.12Å
586	V	30.1	Very low	39.1	Very low	128 Å²	128	108.6 Å²	108.6	78%	0.776	68%	0.675	S	S	*	*			trans	-67.9	112	173.4	-162	0	0	0	0	107.1	D588	V586-D588 PolarHBondContact O-N 3.13Å
587	D	27.3	Very low	36.1	Very low	138 Å²	138	111.9 Å²	111.9	74%	0.738	71%	0.709	S	S	*	*			trans	-82.9	95.9	176.8	-168.2	15	0	0	0	108.7	P585 S589	P585-D587 PolarHBondContact O-N 3.14Å; P585-D587 VanDerWaalsContact O-N 3.12Å; D587-S589 PolarHBondContact O-N 3.41Å; D587-S589 WeakPolarHBondContact OD1-CB 3.47Å
588	D	31.2	Very low	33.4	Very low	159 Å²	159	116.8 Å²	116.8	85%	0.85	74%	0.741	S	S	*	*			trans	-70.3	46	175.6	-82.4	-39.4	0	0	0	111.8	V586	V586-D588 PolarHBondContact O-N 3.13Å
589	S	30.9	Very low	31.4	Very low	84 Å²	84	117.5 Å²	117.5	59%	0.587	75%	0.748	S	S	*	*			trans	-121.6	39.9	-175.7	-171.7	0	0	0	0	112.7	D587 A591	D587-S589 PolarHBondContact O-N 3.41Å; D587-S589 WeakPolarHBondContact OD1-CB 3.47Å; S589-A591 VanDerWaalsContact C-N 3.33Å
590	C	29	Very low	30.5	Very low	141 Å²	141	117.5 Å²	117.5	95%	0.953	75%	0.747	S	S	*	*			trans	-100.1	48.7	163	-142.9	0	0	0	0	111.4
591	A	29.6	Very low	30.2	Very low	80 Å²	80	120.5 Å²	120.5	66%	0.661	76%	0.758	S	S	*	*			trans	-113	132.3	169.3	0	0	0	0	0	109	S589	S589-A591 VanDerWaalsContact C-N 3.33Å
592	P	34.4	Very low	30.3	Very low	108 Å²	108	125.1 Å²	125.1	70%	0.701	78%	0.777	S	S	*	*			trans	-82.3	148	-171.7	32.6	-36	0	0	0	113.6
593	Y	28.3	Very low	30.6	Very low	216 Å²	216	124.1 Å²	124.1	85%	0.847	77%	0.771	S	S	*	*			trans	74	110.7	170.5	-53.6	-74.7	0	0	0	119.4
594	P	30.1	Very low	31.4	Very low	127 Å²	127	125 Å²	125	83%	0.825	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-82.3	141	140.6	2.1	17.4	0	0	0	110.5
595	A	31.9	Very low	31.6	Very low	96 Å²	96	128.9 Å²	128.9	79%	0.793	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-81.1	148	169.8	0	0	0	0	0	111.3
596	P	35.6	Very low	31.8	Very low	136 Å²	136	128.7 Å²	128.7	88%	0.883	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-81.5	131.5	-174.2	31.2	-34.5	0	0	0	113.4
597	G	30.6	Very low	31.9	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	80%	0.804	S	S	*	*			trans	129.5	104.1	151.9	0	0	0	0	0	117
598	T	29	Very low	32.3	Very low	152 Å²	152	135.9 Å²	135.9	93%	0.933	81%	0.81	S	S	*	*			trans	-165	160	132.7	8.9	0	0	0	0	109.3
599	S	30.8	Very low	33.1	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	80%	0.799	S	S	*	*			trans	-83.1	155.5	-173.2	49.5	0	0	0	0	113.4
600	P	37.9	Very low	33	Very low	115 Å²	115	138.1 Å²	138.1	75%	0.747	81%	0.812	S	S	*	*			trans	-78.7	151.5	177.3	34	-36.1	0	0	0	112.5
601	D	31.4	Very low	32.9	Very low	164 Å²	164	137.4 Å²	137.4	88%	0.877	80%	0.803	S	S	*	*			trans	-169.5	157.7	140.2	-102.3	-31.2	0	0	0	112.5
602	D	29.4	Very low	32.9	Very low	159 Å²	159	145 Å²	145	85%	0.85	81%	0.814	S	S	*	*			trans	72.2	149	168.3	-86	-29.3	0	0	0	123.2
603	P	35.7	Very low	32.6	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	82%	0.819	S	S	*	*			trans	-111.8	178	-164.9	45.4	-36.3	0	0	0	114.7
604	P	44.5	Very low	32.5	Very low	124 Å²	124	144.9 Å²	144.9	81%	0.805	82%	0.817	S	S	*	*			trans	-89.7	151.6	-158.9	34.6	-36.1	0	0	0	116.1
605	L	28.1	Very low	32.5	Very low	179 Å²	179	144.3 Å²	144.3	94%	0.937	81%	0.807	S	S	*	*			trans	-133	142.9	164.6	-76.4	177.5	0	0	0	112.2
606	S	33.1	Very low	32.5	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	80%	0.8	S	S	*	*			trans	-98.9	143.7	-173.3	54.8	0	0	0	0	113.2
607	R	32.3	Very low	32.2	Very low	252 Å²	252	145.5 Å²	145.5	95%	0.951	79%	0.793	S	S	*	*			trans	-165.7	115.6	156	-110.5	159.5	-164.2	-165.3	4.6	115
608	L	34.4	Very low	32.2	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	78%	0.782	S	S	*	*			trans	-89.2	-176.9	157.2	-77.5	168.6	0	0	0	109.3
609	P	48.1	Very low	32	Very low	96 Å²	96	145 Å²	145	62%	0.623	78%	0.778	S	S	*	*			cis	-139.3	-167.3	-23.2	24.1	1.3	0	0	0	114.4
610	K	28.1	Very low	31.8	Very low	195 Å²	195	143.9 Å²	143.9	85%	0.848	78%	0.776	S	S	*	*			trans	81.8	160.7	159.4	-45.5	170.8	-175.8	169.9	0	115.8
611	T	28.8	Very low	31.4	Very low	126 Å²	126	144.5 Å²	144.5	77%	0.773	78%	0.781	S	S	*	*			cis	-129.6	161.6	0.6	37.6	0	0	0	0	110
612	R	28.2	Very low	31.1	Very low	238 Å²	238	144.2 Å²	144.2	90%	0.898	78%	0.78	S	S	*	*			cis	93	79.1	24.7	-159.7	-158.1	-164	-155.5	6.8	117.5
613	S	27.7	Very low	31.1	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.777	S	S	*	*			trans	-167.7	129.7	144.9	50.2	0	0	0	0	108.4
614	Y	26.5	Very low	30.6	Very low	208 Å²	208	144.6 Å²	144.6	82%	0.816	78%	0.781	S	S	*	*			cis	89.1	113	34.6	-129	-99.2	0	0	0	115.2
615	D	29.9	Very low	29.8	Very low	115 Å²	115	144.9 Å²	144.9	62%	0.615	78%	0.78	S	S	*	*			trans	93.6	129.9	142.2	-99.6	19	0	0	0	125.5
616	N	32.4	Very low	30.1	Very low	118 Å²	118	141.4 Å²	141.4	63%	0.631	77%	0.769	S	S	*	*			trans	89.2	100.4	137.8	-67.3	-38.5	0	0	0	124.5
617	L	29.2	Very low	29.8	Very low	140 Å²	140	144.3 Å²	144.3	73%	0.733	77%	0.774	S	S	*	*				90.2	146.7	117.6	-71.4	170.5	0	0	0	121.8
618	S	30.8	Very low	29.6	Very low	71 Å²	71	136.9 Å²	136.9	50%	0.497	77%	0.767	S	S	.	*			trans	-94.6	147.1	-175.1	52.4	0	0	0	0	113.5
619	T	25.5	Very low	29.3	Very low	138 Å²	138	134.2 Å²	134.2	85%	0.847	76%	0.762	S	S	*	*			trans	-156	154.1	153.9	-31.6	0	0	0	0	112.2
620	A	25.8	Very low	28.4	Very low	86 Å²	86	140.9 Å²	140.9	71%	0.711	78%	0.775	S	S	*	*			trans	64.2	112.8	157.6	0	0	0	0	0	119.3
621	C	30.3	Very low	28.3	Very low	128 Å²	128	143.5 Å²	143.5	87%	0.865	78%	0.779	S	S	*	*			trans	-83.2	138.4	143.5	-56.6	0	0	0	0	108.4
622	D	25.3	Very low	28.2	Very low	158 Å²	158	143.1 Å²	143.1	85%	0.845	78%	0.78	S	S	*	*			trans	-146.3	138	159.3	-109.4	-39.5	0	0	0	110
623	N	28.6	Very low	28.1	Very low	146 Å²	146	137 Å²	137	78%	0.781	77%	0.774	S	S	*	*			trans	-104.4	135.9	177.2	-74.9	-64.1	0	0	0	109.4
624	T	24.8	Very low	28.2	Very low	129 Å²	129	138.8 Å²	138.8	79%	0.791	77%	0.774	S	S	*	*				173.9	114.6	123	30.6	0	0	0	0	115.6
625	V	27.7	Very low	28.6	Very low	130 Å²	130	134 Å²	134	79%	0.788	77%	0.769	S	S	*	*			trans	71.4	164.6	130.2	-166.8	0	0	0	0	114.2
626	P	35.3	Very low	28.4	Very low	106 Å²	106	133.1 Å²	133.1	69%	0.688	77%	0.772	S	S	*	*				-134.5	133.2	-77.5	40.5	-21.9	0	0	0	116.3
627	L	26.3	Very low	28.4	Very low	172 Å²	172	135.8 Å²	135.8	90%	0.901	79%	0.785	S	S	*	*			trans	-162.6	95.1	152.9	-138.2	58.2	0	0	0	111.3
628	A	28	Very low	28.2	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	79%	0.789	S	S	*	*				74.8	45.3	86.6	0	0	0	0	0	116.6
629	S	27.7	Very low	27.9	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	79%	0.793	S	S	*	*			trans	-151.4	132.6	151.8	-125.5	0	0	0	0	108.6
630	R	29.3	Very low	27.9	Very low	237 Å²	237	138.9 Å²	138.9	89%	0.894	78%	0.781	S	S	*	*			cis	-129.4	161.6	-0.7	-65.1	176.2	177.7	-177	-1.7	109.6
631	R	26.4	Very low	27.8	Very low	249 Å²	249	145.6 Å²	145.6	94%	0.94	79%	0.788	S	S	*	*			trans	-110.1	163.9	170.8	-88	-170.7	172	-165.6	-2.5	111.3
632	C	26.4	Very low	27.5	Very low	119 Å²	119	146 Å²	146	80%	0.804	78%	0.778	S	S	*	*			trans	-55.5	170.4	168.3	-44.5	0	0	0	0	112
633	S	26.2	Very low	27.4	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	77%	0.765	S	S	*	*			cis	-154.4	-178.6	27.5	-50.3	0	0	0	0	113.7
634	D	29.5	Very low	27.2	Very low	151 Å²	151	146.1 Å²	146.1	81%	0.807	77%	0.768	S	S	*	*			trans	-37.5	165.3	152.6	-63.6	-78.3	0	0	0	115.2
635	P	35.6	Very low	27.2	Very low	108 Å²	108	150 Å²	150	70%	0.701	77%	0.768	S	S	*	*			cis	-144.5	-173.4	23.8	39.1	-17	0	0	0	118
636	S	26.3	Very low	27.2	Very low	97 Å²	97	155.3 Å²	155.3	68%	0.678	77%	0.774	S	S	*	*			trans	63.2	119.9	142.9	63.4	0	0	0	0	121.9
637	L	31	Very low	26.6	Very low	173 Å²	173	156 Å²	156	91%	0.906	78%	0.781	S	S	*	*				19.7	128	125.4	-61.3	170.6	0	0	0	118.7
638	N	25	Very low	26.5	Very low	151 Å²	151	155.5 Å²	155.5	81%	0.807	78%	0.779	S	S	*	*			trans	-136.1	156.6	152	-172.2	42.6	0	0	0	111.8
639	E	25.7	Very low	26.3	Very low	126 Å²	126	159.9 Å²	159.9	59%	0.589	78%	0.783	S	S	*	*			trans	-86.7	173.4	-162.8	-47	163.7	89.1	0	0	116.1
640	K	23.8	Very low	26.1	Very low	138 Å²	138	162.2 Å²	162.2	60%	0.6	79%	0.786	S	S	*	*			trans	72.2	139.9	158.4	-65.6	138	-167.3	162.1	0	115.5
641	W	24.8	Very low	25.9	Very low	226 Å²	226	156.1 Å²	156.1	86%	0.856	78%	0.779	S	S	*	*			cis	-119.9	141.4	19.8	-63.7	69.5	0	0	0	110.9
642	Q	23.2	Very low	25.7	Very low	138 Å²	138	149 Å²	149	65%	0.645	77%	0.768	S	S	*	*				40.6	109.1	84.3	-81.7	-167.1	-69.3	0	0	113
643	E	24	Very low	25.6	Very low	122 Å²	122	151.3 Å²	151.3	57%	0.57	77%	0.771	S	S	*	*				110.1	125.3	60.9	175.2	161.7	-148.5	0	0	108.5
644	H	24.6	Very low	25.5	Very low	183 Å²	183	150.9 Å²	150.9	85%	0.847	77%	0.774	S	S	*	*				-163.7	140.4	120.7	-115	-86.5	0	0	0	112.1
645	R	23.8	Very low	25.2	Very low	212 Å²	212	147.1 Å²	147.1	80%	0.8	77%	0.772	S	S	*	*			trans	-85.8	172.5	172.9	-64.2	177.6	179.5	153.6	-0.5	111.5
646	R	27.7	Very low	25.6	Very low	240 Å²	240	148.4 Å²	148.4	91%	0.906	78%	0.78	S	S	*	*			trans	-43.4	144	150.7	-67.7	177.4	175.5	166.8	-2.7	111.7
647	S	23.8	Very low	25.6	Very low	120 Å²	120	147.1 Å²	147.1	84%	0.839	78%	0.782	S	S	*	*			trans	-150.6	158.7	146	-80.3	0	0	0	0	108.9
648	L	24.6	Very low	25.5	Very low	162 Å²	162	148.6 Å²	148.6	85%	0.848	78%	0.784	S	S	*	*			trans	-96	148.3	179	-61.3	89.9	0	0	0	110.5
649	E	23.6	Very low	25.5	Very low	189 Å²	189	148.6 Å²	148.6	88%	0.883	78%	0.784	S	S	*	*				-173.5	122.2	125.6	-99.5	168.3	-157.2	0	0	106.6
650	L	23.9	Very low	26.5	Very low	157 Å²	157	147.1 Å²	147.1	82%	0.822	79%	0.785	S	S	*	*			cis	92.7	82.4	43.3	-158.4	176.4	0	0	0	112.7
651	S	23.6	Very low	26.7	Very low	108 Å²	108	148.1 Å²	148.1	76%	0.755	80%	0.797	S	S	*	*			trans	177.9	145.5	146.2	49.6	0	0	0	0	107.5
652	S	22.4	Very low	26.9	Very low	100 Å²	100	141.7 Å²	141.7	70%	0.699	79%	0.786	S	S	*	*			cis	-152.9	157	31	-61.1	0	0	0	0	114.2
653	L	25.1	Very low	27.2	Very low	167 Å²	167	139.3 Å²	139.3	87%	0.874	79%	0.79	S	S	*	*			trans	70.1	103.8	148.1	-68.2	160.4	0	0	0	122.2
654	A	24.5	Very low	27.4	Very low	100 Å²	100	140.2 Å²	140.2	83%	0.826	80%	0.799	S	S	*	*				64.7	141.7	129.2	0	0	0	0	0	122.8
655	G	23.4	Very low	27.8	Very low	73 Å²	73	135.7 Å²	135.7	75%	0.753	79%	0.788	S	S	*	*			trans	-91.7	-143.3	173.1	0	0	0	0	0	113.7
656	P	43.8	Very low	28.1	Very low	135 Å²	135	133.8 Å²	133.8	88%	0.877	79%	0.793	S	S	*	*			cis	-141.3	180	30.7	43.8	-26.5	0	0	0	117.3
657	G	25.4	Very low	27.9	Very low	70 Å²	70	126 Å²	126	72%	0.722	79%	0.788	S	S	*	*			trans	89.4	153.3	151.6	0	0	0	0	0	118
658	E	28	Very low	28.1	Very low	203 Å²	203	130.2 Å²	130.2	95%	0.949	79%	0.791	S	S	*	*			cis	-145.4	167	-12.6	-73.8	-159	126.4	0	0	111.4
659	D	25.6	Very low	29.2	Very low	152 Å²	152	127.3 Å²	127.3	81%	0.813	78%	0.782	S	S	*	*			trans	-83.5	-171	175.9	-121.9	-27.8	0	0	0	110.9
660	P	47.4	Very low	29.4	Very low	94 Å²	94	123.9 Å²	123.9	61%	0.61	77%	0.774	S	S	*	*			cis	-144	-167.1	-23.3	37.1	-15.8	0	0	0	114.9
661	L	27.3	Very low	29.6	Very low	159 Å²	159	127.9 Å²	127.9	83%	0.832	78%	0.778	S	S	*	*			trans	70	154.3	153.2	-63.2	176.3	0	0	0	120.2
662	S	29.1	Very low	29.9	Very low	92 Å²	92	129.1 Å²	129.1	64%	0.643	78%	0.781	S	S	*	*			cis	-176.2	148.9	-27.3	57.4	0	0	0	0	113.3
663	A	30.5	Very low	30.8	Very low	88 Å²	88	130.3 Å²	130.3	73%	0.727	79%	0.786	S	S	*	*			trans	67.3	159.2	148.3	0	0	0	0	0	118.4
664	D	27.9	Very low	30.8	Very low	140 Å²	140	126.1 Å²	126.1	75%	0.749	78%	0.784	S	S	*	*			cis	-152.3	164.3	-1.3	-143	-16.1	0	0	0	114
665	S	32.5	Very low	30.8	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	79%	0.785	S	S	*	*			trans	8.2	158.8	139.8	-62.9	0	0	0	0	121.7
666	L	29.6	Very low	31	Very low	171 Å²	171	126.9 Å²	126.9	90%	0.895	79%	0.791	S	S	*	*			cis	-162.7	166.9	7.3	-146.1	65	0	0	0	109.6
667	G	24.3	Very low	30.4	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	79%	0.791	S	S	*	*			trans	163.2	97.4	163	0	0	0	0	0	118.7
668	K	28	Very low	30.4	Very low	207 Å²	207	134.6 Å²	134.6	90%	0.9	80%	0.801	S	S	*	*			trans	-125.8	175.1	173.1	-104	-177.2	-177.7	175.5	0	108.2
669	P	48	Very low	30.5	Very low	102 Å²	102	130 Å²	130	66%	0.662	79%	0.791	S	S	*	*			cis	-145	-167.6	-22.7	33.9	-10.6	0	0	0	115.7
670	T	26.5	Very low	30.6	Very low	117 Å²	117	129.6 Å²	129.6	72%	0.718	79%	0.794	S	S	*	*			trans	84.7	128.3	139.4	34.9	0	0	0	0	125.3
671	R	28	Very low	29.6	Very low	240 Å²	240	129.6 Å²	129.6	91%	0.906	80%	0.802	S	S	*	*				120.6	120.1	117.3	-100.7	175.3	-178.8	175	0.2	120.4
672	V	30.5	Very low	30.1	Very low	134 Å²	134	127.2 Å²	127.2	81%	0.812	81%	0.805	S	S	*	*			trans	-80	165	158.1	-152.1	0	0	0	0	107
673	P	42	Very low	30.3	Very low	125 Å²	125	126.5 Å²	126.5	81%	0.812	81%	0.812	S	S	*	*			cis	-155.5	178.6	37	45.7	-23.3	0	0	0	121.4
674	G	23.6	Very low	30.3	Very low	80 Å²	80	129.1 Å²	129.1	83%	0.825	82%	0.819	S	S	*	*			trans	94.2	149.6	158.8	0	0	0	0	0	115.8
675	G	25.7	Very low	30.6	Very low	83 Å²	83	126.9 Å²	126.9	86%	0.856	82%	0.82	S	S	*	*			cis	137.7	88.2	-7.3	0	0	0	0	0	113.7
676	A	26.3	Very low	30.7	Very low	105 Å²	105	131 Å²	131	87%	0.868	83%	0.83	S	S	*	*			trans	-158.9	142.4	172.3	0	0	0	0	0	111.9
677	E	32.5	Very low	30.9	Very low	191 Å²	191	125.8 Å²	125.8	89%	0.893	82%	0.817	S	S	*	*			trans	-91.6	150.1	163.1	-61.4	177.4	122.4	0	0	109.9
678	L	25.8	Very low	31.5	Very low	177 Å²	177	129.4 Å²	129.4	93%	0.927	81%	0.813	S	S	*	*			trans	-165.8	132.3	156.9	-111.8	166.8	0	0	0	110.6
679	S	30.1	Very low	31.9	Very low	106 Å²	106	122.6 Å²	122.6	74%	0.741	79%	0.785	S	S	*	*			trans	-89.2	153.6	174.1	-43.8	0	0	0	0	111.5
680	V	27.1	Very low	31.3	Very low	144 Å²	144	124.1 Å²	124.1	87%	0.873	78%	0.783	S	S	*	*			trans	169.4	155.4	136.8	145.8	0	0	0	0	112.4
681	A	26.9	Very low	31.8	Very low	93 Å²	93	123.3 Å²	123.3	77%	0.769	77%	0.774	S	S	*	*			trans	77.7	114.1	163.6	0	0	0	0	0	119.5
682	A	36.3	Very low	32.7	Very low	109 Å²	109	115 Å²	115	90%	0.901	75%	0.747	S	S	*	*			trans	-83.5	154.7	148.8	0	0	0	0	0	109.7
683	G	33.5	Very low	33	Very low	78 Å²	78	112 Å²	112	80%	0.804	73%	0.726	S	S	*	*			trans	150.3	50.6	171.9	0	0	0	0	0	117.7
684	V	30.2	Very low	32.8	Very low	142 Å²	142	111.5 Å²	111.5	86%	0.861	71%	0.713	S	S	*	*			trans	-142.7	93.3	165.1	-173.5	0	0	0	0	109.4
685	A	34.7	Very low	33.9	Very low	94 Å²	94	114.8 Å²	114.8	78%	0.777	71%	0.707	S	S	*	*			trans	-155.9	61	-178.2	0	0	0	0	0	113.5
686	E	35.2	Very low	34.4	Very low	176 Å²	176	112.7 Å²	112.7	82%	0.822	68%	0.682	S	S	*	*	S	Bend	trans	-135.2	-55.1	167.9	-87.4	179.4	137.6	0	0	111.4	Q688 M689	E686-Q688 PolarHBondContact O-N 2.95Å; E686-M689 PolarHBondContact O-N 2.81Å
687	G	34.3	Very low	34.9	Very low	61 Å²	61	111.6 Å²	111.6	63%	0.629	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	2.5	-172.4	0	0	0	0	0	118.3	N691	G687-N691 PolarHBondContact O-ND2 2.73Å
688	Q	37.2	Very low	35.2	Very low	153 Å²	153	110.6 Å²	110.6	72%	0.715	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-24.7	175.3	-72.2	-168.3	-82.3	0	0	113.8	E686	E686-Q688 PolarHBondContact O-N 2.95Å
689	M	35.2	Very low	35.8	Very low	64 Å²	64	109.7 Å²	109.7	32%	0.315	65%	0.648	S	S	.	*	H	α-helix	trans	-73.3	-33.2	-174	-89.5	166.8	147.3	0	0	113.4	W242 E686 N691 I692 L693	W242-M689 HydrophobicContact CD2-CE 3.85Å; W242-M689 HydrophobicContact CD2-SD 4.39Å; W242-M689 HydrophobicContact CE3-CE 3.88Å; W242-M689 HydrophobicContact CH2-CB 3.65Å; W242-M689 HydrophobicContact CH2-CE 3.78Å; W242-M689 HydrophobicContact CH2-CG 3.58Å; W242-M689 HydrophobicContact CH2-SD 3.73Å; W242-M689 HydrophobicContact CZ2-CB 3.64Å; W242-M689 HydrophobicContact CZ2-CE 3.7Å; W242-M689 HydrophobicContact CZ2-CG 3.66Å; W242-M689 HydrophobicContact CZ2-SD 3.27Å; W242-M689 WeakPolarHBondContact CZ2-SD 3.36Å; W242-M689 HydrophobicContact CZ3-CE 3.84Å; W242-M689 HydrophobicContact CZ3-CG 4.4Å; W242-M689 HydrophobicContact CZ3-SD 4.41Å; E686-M689 PolarHBondContact O-N 2.81Å; M689-N691 PolarHBondContact O-N 3.2Å; M689-I692 PolarHBondContact O-N 2.96Å; M689-L693 WeakPolarHBondContact O-CG 3.36Å; M689-L693 PolarHBondContact O-N 2.8Å; M689-L693 VanDerWaalsContact O-N 3.16Å
690	E	35.4	Very low	36.1	Very low	134 Å²	134	111.2 Å²	111.2	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-65.9	-37.9	-177.4	-162	167.3	-146.4	0	0	112.6	L693 Q694	E690-L693 PolarHBondContact O-N 3.38Å; E690-Q694 WeakPolarHBondContact O-CG 3.43Å; E690-Q694 PolarHBondContact O-N 3.29Å
691	N	38.4	Very low	36.2	Very low	100 Å²	100	108.4 Å²	108.4	54%	0.535	63%	0.631	S	S	.	*	H	α-helix	trans	-67.1	-39.9	176.5	-69.9	-75.4	0	0	0	112.5	G687 M689 L693 Q694 E695	G687-N691 PolarHBondContact O-ND2 2.73Å; M689-N691 PolarHBondContact O-N 3.2Å; N691-L693 VanDerWaalsContact C-N 3.35Å; N691-Q694 PolarHBondContact O-N 2.64Å; N691-E695 PolarHBondContact O-N 3.2Å
692	I	44.9	Very low	36.3	Very low	65 Å²	65	107.8 Å²	107.8	33%	0.333	63%	0.633	S	S	.	*	H	α-helix	trans	-67.9	-37.1	179.5	-61.4	171.7	0	0	0	110.7	V324 M689 E695 A696	V324-I692 HydrophobicContact CG1-CG2 4Å; M689-I692 PolarHBondContact O-N 2.96Å; I692-E695 PolarHBondContact O-N 2.85Å; I692-A696 WeakPolarHBondContact O-CB 3.37Å; I692-A696 PolarHBondContact O-N 3.1Å
693	L	38.3	Very low	36	Very low	71 Å²	71	108.8 Å²	108.8	37%	0.372	63%	0.628	S	S	.	*	H	α-helix	trans	-67.3	-34.8	173.4	-68.5	173.5	0	0	0	112.3	W242 A328 M689 E690 N691 T697	W242-L693 HydrophobicContact CH2-CD1 3.77Å; W242-L693 HydrophobicContact CH2-CD2 4.44Å; W242-L693 HydrophobicContact CH2-CG 4.21Å; W242-L693 HydrophobicContact CZ2-CD1 4.39Å; W242-L693 HydrophobicContact CZ3-CD2 4.49Å; A328-L693 HydrophobicContact CB-CD2 3.94Å; M689-L693 WeakPolarHBondContact O-CG 3.36Å; M689-L693 PolarHBondContact O-N 2.8Å; M689-L693 VanDerWaalsContact O-N 3.16Å; E690-L693 PolarHBondContact O-N 3.38Å; N691-L693 VanDerWaalsContact C-N 3.35Å; L693-T697 WeakPolarHBondContact O-CG2 3.4Å; L693-T697 PolarHBondContact O-N 3.11Å; L693-T697 PolarHBondContact O-OG1 3.43Å
694	Q	37.6	Very low	35.7	Very low	115 Å²	115	114.1 Å²	114.1	54%	0.537	63%	0.632	S	S	.	*	H	α-helix	trans	-72.5	-29	175.1	-73.5	-178.8	20.2	0	0	113.8	E690 N691 T697	E690-Q694 WeakPolarHBondContact O-CG 3.43Å; E690-Q694 PolarHBondContact O-N 3.29Å; N691-Q694 PolarHBondContact O-N 2.64Å; Q694-T697 PolarHBondContact O-OG1 2.52Å
695	E	45.5	Very low	35.4	Very low	149 Å²	149	116 Å²	116	70%	0.696	63%	0.631	S	S	*	*	H	α-helix	trans	-74.6	-44.2	169.1	-71.8	-169.3	137.5	0	0	111.4	N691 I692 T697 K698	N691-E695 PolarHBondContact O-N 3.2Å; I692-E695 PolarHBondContact O-N 2.85Å; E695-T697 VanDerWaalsContact C-N 3.33Å; E695-T697 PolarHBondContact O-N 3.4Å; E695-K698 WeakPolarHBondContact O-CB 3.4Å; E695-K698 PolarHBondContact O-N 2.79Å
696	A	37.7	Very low	35.2	Very low	40 Å²	40	117.4 Å²	117.4	33%	0.331	63%	0.632	S	S	.	*	H	α-helix	trans	-61.9	-35.5	179.9	0	0	0	0	0	113.8	A325 I692 K698	A325-A696 HydrophobicContact CB-CB 4.36Å; I692-A696 WeakPolarHBondContact O-CB 3.37Å; I692-A696 PolarHBondContact O-N 3.1Å; A696-K698 VanDerWaalsContact C-N 3.29Å; A696-K698 PolarHBondContact O-N 3.39Å
697	T	36.6	Very low	34.8	Very low	82 Å²	82	113.7 Å²	113.7	50%	0.503	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-13.5	176.4	46.2	0	0	0	0	113.7	L693 Q694 E695 E700 S701	L693-T697 WeakPolarHBondContact O-CG2 3.4Å; L693-T697 PolarHBondContact O-N 3.11Å; L693-T697 PolarHBondContact O-OG1 3.43Å; Q694-T697 PolarHBondContact O-OG1 2.52Å; E695-T697 VanDerWaalsContact C-N 3.33Å; E695-T697 PolarHBondContact O-N 3.4Å; T697-E700 PolarHBondContact O-N 3.43Å; T697-S701 PolarHBondContact O-OG 3.24Å
698	K	38.7	Very low	34.5	Very low	169 Å²	169	120.1 Å²	120.1	74%	0.735	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-20.4	-180	-132.2	169.3	-175.2	172.7	0	113.8	E695 A696	E695-K698 WeakPolarHBondContact O-CB 3.4Å; E695-K698 PolarHBondContact O-N 2.79Å; A696-K698 VanDerWaalsContact C-N 3.29Å; A696-K698 PolarHBondContact O-N 3.39Å
699	E	37.6	Very low	34.1	Very low	159 Å²	159	124.8 Å²	124.8	74%	0.743	66%	0.656	S	S	*	*	S	Bend	trans	-86.6	-16.3	171.6	-66.7	-159	164.5	0	0	113.7
700	E	37.9	Very low	33.6	Very low	138 Å²	138	126.8 Å²	126.8	65%	0.645	68%	0.683	S	S	*	*	S	Bend	trans	-91.4	-5.4	-179.6	-70	-175.9	171	0	0	113.4	K329 T697	K329-E700 IonicContact NZ-OE1 2.73Å; K329-E700 PolarHBondContact NZ-OE1 2.79Å; K329-E700 IonicContact NZ-OE2 3.34Å; T697-E700 PolarHBondContact O-N 3.43Å
701	S	28.3	Very low	33.1	Very low	85 Å²	85	123.8 Å²	123.8	59%	0.594	69%	0.687	S	S	*	*			trans	-108.3	18.4	-171.9	40.2	0	0	0	0	116	T697 V703	T697-S701 PolarHBondContact O-OG 3.24Å; S701-V703 PolarHBondContact O-N 3.46Å; S701-V703 VanDerWaalsContact O-N 3.14Å
702	G	29.9	Very low	32.6	Very low	79 Å²	79	126.5 Å²	126.5	81%	0.814	70%	0.701	S	S	*	*			trans	-81.7	79.6	176.7	0	0	0	0	0	114.1
703	V	28.3	Very low	31.6	Very low	131 Å²	131	131.8 Å²	131.8	79%	0.794	72%	0.724	S	S	*	*			trans	-114.8	108.9	170.3	-179.5	0	0	0	0	109.4	S701	S701-V703 PolarHBondContact O-N 3.46Å; S701-V703 VanDerWaalsContact O-N 3.14Å
704	E	27.5	Very low	31	Very low	190 Å²	190	136 Å²	136	89%	0.888	74%	0.743	S	S	*	*			trans	-101.4	120.3	169.2	-68.4	-170.6	142.2	0	0	110
705	E	25.5	Very low	30.3	Very low	181 Å²	181	136.7 Å²	136.7	85%	0.846	75%	0.747	S	S	*	*			trans	-85.8	145.6	160.1	-83.9	-163.1	123.8	0	0	110.6	A707	E705-A707 PolarHBondContact O-N 2.91Å
706	P	30.5	Very low	29.3	Very low	123 Å²	123	137.4 Å²	137.4	80%	0.799	75%	0.75	S	S	*	*			trans	-80.9	106.6	-172.4	31.4	-34.9	0	0	0	113
707	A	26.7	Very low	28.6	Very low	99 Å²	99	141.2 Å²	141.2	82%	0.818	77%	0.765	S	S	*	*			trans	-80.9	125.3	172.8	0	0	0	0	0	112.7	E705	E705-A707 PolarHBondContact O-N 2.91Å
708	H	28	Very low	28.1	Very low	196 Å²	196	144.2 Å²	144.2	91%	0.907	77%	0.771	S	S	*	*			trans	-70.2	156.5	171.2	-89.1	-97.8	0	0	0	112.6
709	R	27	Very low	27.5	Very low	251 Å²	251	143.7 Å²	143.7	95%	0.947	77%	0.771	S	S	*	*			trans	-115.3	99.9	-165.4	-171.8	-170.8	-165.3	-174.3	7.1	114.3
710	A	25.3	Very low	26.8	Very low	106 Å²	106	143.5 Å²	143.5	88%	0.876	78%	0.775	S	S	*	*			trans	177.7	140.8	151.7	0	0	0	0	0	109.3
711	G	25	Very low	26.9	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	78%	0.776	S	S	*	*			cis	171	174.3	-6.6	0	0	0	0	0	111.5
712	I	27.7	Very low	26.7	Very low	158 Å²	158	144.8 Å²	144.8	81%	0.81	78%	0.784	S	S	*	*			trans	79.3	95	169.4	-50.5	178.8	0	0	0	118
713	E	24.7	Very low	26.6	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	78%	0.78	S	S	*	*				52.2	149.6	126.9	-54.3	-172	135.1	0	0	125.6
714	M	24.7	Very low	26.4	Very low	159 Å²	159	148.5 Å²	148.5	78%	0.783	78%	0.776	S	S	*	*			trans	74.3	153	161.5	-52.3	-163.2	81.4	0	0	119.9
715	Q	23.1	Very low	26.5	Very low	129 Å²	129	146.8 Å²	146.8	60%	0.603	77%	0.765	S	S	*	*			cis	-174.3	135.8	-37.9	172.4	165	-9.8	0	0	107.8
716	E	24.8	Very low	26.6	Very low	164 Å²	164	144.6 Å²	144.6	77%	0.766	76%	0.755	S	S	*	*			trans	61.7	162.7	166.3	-75.2	167.4	-150.6	0	0	117.5
717	D	23.9	Very low	26.4	Very low	120 Å²	120	143.8 Å²	143.8	64%	0.642	75%	0.752	S	S	*	*			cis	-162.3	166.4	-36.1	-168.5	16.7	0	0	0	108.6
718	K	25.9	Very low	26.3	Very low	145 Å²	145	150 Å²	150	63%	0.63	76%	0.755	S	S	*	*			trans	72.6	130.2	155.9	-79	162.7	-173.1	154.2	0	124.5
719	E	25.8	Very low	26.2	Very low	159 Å²	159	151.7 Å²	151.7	74%	0.743	75%	0.753	S	S	*	*				72.4	96	127.6	-65.6	164.2	-168.4	0	0	121.4
720	N	22.4	Very low	26.2	Very low	155 Å²	155	148.9 Å²	148.9	83%	0.829	75%	0.748	S	S	*	*				11.8	151.8	107.7	-85.7	-26.9	0	0	0	118.4
721	P	39	Very low	26.1	Very low	102 Å²	102	149.7 Å²	149.7	66%	0.662	74%	0.742	S	S	*	*			cis	-151.8	164.6	31.9	39.3	-17.3	0	0	0	120.2
722	L	24.6	Very low	26.7	Very low	147 Å²	147	151.2 Å²	151.2	77%	0.77	74%	0.739	S	S	*	*			trans	62.9	140.4	133.6	-73	170.6	0	0	0	125.7
723	L	27.7	Very low	26.6	Very low	136 Å²	136	152.4 Å²	152.4	71%	0.712	74%	0.741	S	S	*	*			trans	71.2	149.6	145	-66.5	164.6	0	0	0	118
724	E	25.6	Very low	26.6	Very low	153 Å²	153	148 Å²	148	72%	0.715	74%	0.735	S	S	*	*			cis	-144.5	149.9	3	-112.4	162.6	-170.9	0	0	109.2
725	K	28.5	Very low	26.7	Very low	154 Å²	154	145.4 Å²	145.4	67%	0.67	73%	0.733	S	S	*	*				47.9	145	93	-79.9	-177.8	154.1	-120.5	0	116.1
726	E	27.1	Very low	26.8	Very low	135 Å²	135	145.2 Å²	145.2	63%	0.631	74%	0.74	S	S	*	*			cis	-165.8	148.7	-0.6	-137.5	162.8	176.7	0	0	113.1
727	S	26.8	Very low	26.9	Very low	106 Å²	106	145.6 Å²	145.6	74%	0.741	75%	0.746	S	S	*	*			trans	62.4	159.1	151.9	79.1	0	0	0	0	118
728	R	25.2	Very low	26.9	Very low	230 Å²	230	143.4 Å²	143.4	87%	0.868	75%	0.752	S	S	*	*			cis	-170.7	145.3	29.9	-163	172	-174	160.8	1.7	110.9
729	R	25.8	Very low	26.9	Very low	230 Å²	230	144.4 Å²	144.4	87%	0.868	76%	0.763	S	S	*	*			trans	-40.9	153.4	162.6	-65.3	168.2	171.5	171.4	-5.8	112.8
730	K	27.4	Very low	26.9	Very low	192 Å²	192	145 Å²	145	84%	0.835	77%	0.765	S	S	*	*				-165.1	169.6	50.6	-142.4	168.3	-173.9	-169.8	0	114.2
731	T	21.8	Very low	27	Very low	123 Å²	123	146.4 Å²	146.4	76%	0.755	77%	0.767	S	S	*	*			trans	-61.1	173.5	173.8	30.8	0	0	0	0	114.9
732	P	38.9	Very low	26.4	Very low	102 Å²	102	148.8 Å²	148.8	66%	0.662	77%	0.774	S	S	*	*			cis	-151.4	-180	33.8	45.2	-23.8	0	0	0	121.9
733	E	25.5	Very low	26.5	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	77%	0.773	S	S	*	*			trans	87.8	143.7	141.4	-91.1	161.4	-127.3	0	0	124.9
734	A	24.8	Very low	26.4	Very low	84 Å²	84	149.8 Å²	149.8	69%	0.694	78%	0.775	S	S	*	*			trans	77	75.6	147	0	0	0	0	0	123.5
735	S	26	Very low	26.4	Very low	104 Å²	104	150 Å²	150	73%	0.727	78%	0.78	S	S	*	*				62.3	125.9	111.4	71.7	0	0	0	0	124.6
736	T	25.7	Very low	26.2	Very low	125 Å²	125	146 Å²	146	77%	0.767	78%	0.782	S	S	*	*			trans	88.3	142	139.3	-0.1	0	0	0	0	123.4
737	I	26.1	Very low	26.2	Very low	172 Å²	172	147.4 Å²	147.4	88%	0.882	79%	0.794	S	S	*	*			trans	75.6	132.3	160.5	-54.4	168.2	0	0	0	117.8
738	G	25	Very low	26.2	Very low	74 Å²	74	146.6 Å²	146.6	76%	0.763	79%	0.794	S	S	*	*			trans	158.7	110	156	0	0	0	0	0	115.7
739	L	25.6	Very low	26.2	Very low	165 Å²	165	140 Å²	140	86%	0.864	79%	0.788	S	S	*	*			trans	-83.9	162	172.2	-76.5	155.7	0	0	0	112.3
740	H	25.8	Very low	26.2	Very low	172 Å²	172	136 Å²	136	80%	0.796	78%	0.784	S	S	*	*			trans	-0.7	130.5	159.5	-66.5	-88.9	0	0	0	119.2
741	Q	24.3	Very low	26.2	Very low	185 Å²	185	137 Å²	137	86%	0.864	78%	0.782	S	S	*	*				-170.7	152.4	102.4	-106.8	178.8	-37.5	0	0	112.9
742	D	27.2	Very low	26.4	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	78%	0.776	S	S	*	*			trans	-82.1	158.8	163.6	-65.8	-73.8	0	0	0	111.5
743	L	25.8	Very low	25.9	Very low	144 Å²	144	138.4 Å²	138.4	75%	0.754	78%	0.781	S	S	*	*			trans	148.8	119.3	159.6	-82.9	162.8	0	0	0	107.7
744	E	25.5	Very low	26	Very low	160 Å²	160	136 Å²	136	75%	0.748	77%	0.773	S	S	*	*				68.1	141.3	85	-78.9	-157	171.2	0	0	114.9
745	L	26	Very low	26	Very low	158 Å²	158	138.3 Å²	138.3	83%	0.827	77%	0.774	S	S	*	*			cis	-160.6	166.5	-9.7	-162.4	76.2	0	0	0	108.7
746	G	24.9	Very low	25.9	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	77%	0.773	S	S	*	*			trans	111.2	156	159.7	0	0	0	0	0	115.5
747	D	25.9	Very low	25.9	Very low	166 Å²	166	138.2 Å²	138.2	89%	0.888	76%	0.764	S	S	*	*			cis	-160	-173.6	-3.5	-171.1	19.8	0	0	0	109.9
748	A	26.6	Very low	25.9	Very low	88 Å²	88	141.4 Å²	141.4	73%	0.727	77%	0.765	S	S	*	*			trans	84.9	87.6	166.1	0	0	0	0	0	117.9
749	A	25.6	Very low	26.8	Very low	91 Å²	91	142.8 Å²	142.8	75%	0.752	76%	0.76	S	S	*	*			trans	-74.4	155.2	150.7	0	0	0	0	0	111.4
750	L	26.4	Very low	26.8	Very low	148 Å²	148	141.4 Å²	141.4	78%	0.775	75%	0.753	S	S	*	*			trans	172.8	141.1	132.7	-96.2	162.1	0	0	0	114.4
751	R	27	Very low	26.8	Very low	212 Å²	212	141.9 Å²	141.9	80%	0.8	75%	0.753	S	S	*	*			trans	66.8	125.5	158.9	-62.2	161.7	-175.7	170.1	1.7	117.2
752	S	26.5	Very low	26.8	Very low	90 Å²	90	137.2 Å²	137.2	63%	0.629	74%	0.741	S	S	*	*			cis	97.7	142.5	20.2	86.7	0	0	0	0	116.7
753	H	27.5	Very low	26.6	Very low	164 Å²	164	139.2 Å²	139.2	76%	0.759	75%	0.746	S	S	*	*			trans	77.4	153.4	177.8	-57.4	-80.5	0	0	0	118.4
754	L	28.6	Very low	26.6	Very low	133 Å²	133	135.7 Å²	135.7	70%	0.696	74%	0.744	S	S	*	*			cis	179.2	143.1	-43.9	-123.1	159.4	0	0	0	108.4
755	D	24.5	Very low	26.6	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	75%	0.748	S	S	*	*			trans	150.3	155	143.3	-88.2	-6.7	0	0	0	111.5
756	M	23.9	Very low	26.5	Very low	145 Å²	145	132.7 Å²	132.7	71%	0.714	74%	0.739	S	S	*	*			cis	-138.3	-172.7	-7.9	-132.3	-66.7	99.6	0	0	109.4
757	S	26.2	Very low	26.6	Very low	82 Å²	82	137.4 Å²	137.4	57%	0.573	74%	0.743	S	S	*	*			trans	-139.4	168.7	-161.7	-49.7	0	0	0	0	115.8
758	R	25.1	Very low	26.5	Very low	240 Å²	240	137.5 Å²	137.5	91%	0.906	74%	0.738	S	S	*	*			trans	75	172.4	150.4	-95.6	-178.2	169.6	-170.3	-3	116.7
759	P	44.8	Very low	26.5	Very low	102 Å²	102	142.4 Å²	142.4	66%	0.662	75%	0.746	S	S	*	*			cis	-137	169.5	2.3	23.1	2	0	0	0	119.4
760	L	24.8	Very low	26.3	Very low	137 Å²	137	142.1 Å²	142.1	72%	0.717	75%	0.751	S	S	*	*			trans	94.7	150.7	132.8	-94	166.6	0	0	0	123.9
761	F	26.2	Very low	26.2	Very low	181 Å²	181	138.5 Å²	138.5	79%	0.794	75%	0.75	S	S	*	*			trans	64.5	155.8	173.2	-62.5	-72.5	0	0	0	117.7
762	S	23.7	Very low	26.1	Very low	88 Å²	88	136.5 Å²	136.5	62%	0.615	75%	0.754	S	S	*	*			cis	160.6	102.8	-23.9	172.5	0	0	0	0	106
763	Q	24.3	Very low	26.1	Very low	193 Å²	193	137.6 Å²	137.6	90%	0.902	76%	0.762	S	S	*	*				74.4	119.7	92.1	-168.2	-178.4	14.3	0	0	115.3
764	G	24.6	Very low	26.1	Very low	69 Å²	69	135.4 Å²	135.4	71%	0.711	76%	0.76	S	S	*	*			trans	120.2	143.9	173.4	0	0	0	0	0	113.2
765	I	25.4	Very low	26.1	Very low	165 Å²	165	136.2 Å²	136.2	85%	0.846	76%	0.764	S	S	*	*			cis	-145.8	150	-3.6	-81.1	-175.4	0	0	0	109.2
766	S	24	Very low	26.2	Very low	90 Å²	90	136.5 Å²	136.5	63%	0.629	77%	0.765	S	S	*	*			trans	-9.8	172	153.4	-76.2	0	0	0	0	122.6
767	E	26.3	Very low	26.4	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	76%	0.762	S	S	*	*			cis	-148.8	175.5	14.9	-145.2	115.6	-107.5	0	0	115.1
768	Q	24.6	Very low	26.5	Very low	168 Å²	168	135.3 Å²	135.3	79%	0.785	77%	0.771	S	S	*	*			trans	-93.9	168.4	-178	-57.3	172.2	-31.2	0	0	114.5
769	Q	25.8	Very low	26.7	Very low	190 Å²	190	130.8 Å²	130.8	89%	0.888	76%	0.764	S	S	*	*			trans	131.1	134.2	151.2	-71.4	159.5	30.8	0	0	110.2
770	G	23.3	Very low	25.8	Very low	85 Å²	85	133.5 Å²	133.5	88%	0.876	77%	0.768	S	S	*	*			cis	124.8	129.2	10.4	0	0	0	0	0	109.3
771	G	24.1	Very low	25.9	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	77%	0.772	S	S	*	*			cis	-178.9	-146.9	0.3	0	0	0	0	0	110.6
772	L	24.8	Very low	26.9	Very low	171 Å²	171	131.8 Å²	131.8	90%	0.895	76%	0.764	S	S	*	*			trans	86.3	124.4	169.9	-73.1	160	0	0	0	121.4
773	S	26.3	Very low	27	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	77%	0.771	S	S	*	*			trans	80.1	150.1	145.6	93.3	0	0	0	0	118.1
774	V	27.3	Very low	27.2	Very low	117 Å²	117	134.5 Å²	134.5	71%	0.709	76%	0.763	S	S	*	*			cis	-164.9	142.6	-10.7	107	0	0	0	0	112.3
775	L	28.6	Very low	27.3	Very low	151 Å²	151	136.4 Å²	136.4	79%	0.791	76%	0.757	S	S	*	*			trans	57.4	166.7	161.4	-61.4	171	0	0	0	117.9
776	L	26.2	Very low	27.5	Very low	138 Å²	138	137.5 Å²	137.5	72%	0.723	76%	0.758	S	S	*	*			cis	-146.8	139.2	5.5	-164.2	113.7	0	0	0	111.5
777	S	28.1	Very low	27.7	Very low	95 Å²	95	140 Å²	140	66%	0.664	77%	0.765	S	S	*	*			trans	59.4	123.2	167.4	-61.2	0	0	0	0	119
778	S	29.2	Very low	27.8	Very low	108 Å²	108	136.3 Å²	136.3	76%	0.755	76%	0.757	S	S	*	*			cis	80.3	136.4	47.5	-61.9	0	0	0	0	113.8
779	L	28	Very low	28	Very low	144 Å²	144	135.5 Å²	135.5	75%	0.754	76%	0.758	S	S	*	*			cis	-169.8	165.6	-4.5	-105.3	179.6	0	0	0	106.9
780	Q	26.4	Very low	28.1	Very low	160 Å²	160	134.3 Å²	134.3	75%	0.748	75%	0.752	S	S	*	*			cis	-154.7	171.1	1.6	-170.1	157.4	-35.7	0	0	111.7
781	F	26.1	Very low	28.3	Very low	185 Å²	185	136.5 Å²	136.5	81%	0.811	75%	0.748	S	S	*	*			trans	-73.7	-172.1	169.5	-75.8	-88.9	0	0	0	115.8
782	P	48.2	Very low	29.4	Very low	96 Å²	96	138.4 Å²	138.4	62%	0.623	75%	0.747	S	S	*	*				-142.1	-142.2	-68.1	44.4	-22.5	0	0	0	112.8
783	L	24.9	Very low	29.4	Very low	145 Å²	145	137.1 Å²	137.1	76%	0.759	75%	0.746	S	S	*	*			trans	81.5	156.9	166.3	-49.7	179.9	0	0	0	117
784	R	28.8	Very low	29.4	Very low	193 Å²	193	138.7 Å²	138.7	73%	0.728	74%	0.741	S	S	*	*			cis	-168.7	162	-26.7	-113.4	-174.9	169.3	-122.9	2.1	110
785	D	27.6	Very low	29.4	Very low	110 Å²	110	140.1 Å²	140.1	59%	0.588	74%	0.74	S	S	*	*			trans	55	143.6	137.9	-61.1	3.1	0	0	0	125.5
786	E	29.7	Very low	29.2	Very low	188 Å²	188	142.2 Å²	142.2	88%	0.879	74%	0.743	S	S	*	*			trans	77.3	176.5	141.7	-66.2	-90.5	113.2	0	0	120.8
787	D	28	Very low	29.2	Very low	142 Å²	142	145 Å²	145	76%	0.759	74%	0.744	S	S	*	*			trans	-128	161.1	-136	-129.8	-32.3	0	0	0	114.8
788	S	28.2	Very low	29	Very low	91 Å²	91	148.3 Å²	148.3	64%	0.636	75%	0.753	S	S	*	*			trans	73.2	133	148.3	77	0	0	0	0	124.2
789	L	28.8	Very low	29.1	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	74%	0.742	S	S	*	*			trans	71.8	124.4	136.8	-67.6	165.3	0	0	0	124.7
790	E	27.7	Very low	29.4	Very low	165 Å²	165	149 Å²	149	77%	0.771	74%	0.74	S	S	*	*			trans	84	128.1	135.1	-82.8	-172.3	-174.3	0	0	125.2
791	V	27.6	Very low	29.5	Very low	131 Å²	131	148.6 Å²	148.6	79%	0.794	74%	0.736	S	S	*	*			trans	83.8	143.6	143.1	169.7	0	0	0	0	119.2
792	P	46.3	Very low	29.7	Very low	112 Å²	112	143.8 Å²	143.8	73%	0.727	73%	0.73	S	S	*	*			trans	-120.1	178.6	-161	43.1	-29.5	0	0	0	115.3
793	V	26.3	Very low	28.9	Very low	144 Å²	144	147.7 Å²	147.7	87%	0.873	74%	0.74	S	S	*	*			trans	177.7	172.5	141.1	145.1	0	0	0	0	110.5
794	E	26.5	Very low	29	Very low	147 Å²	147	144 Å²	144	69%	0.687	74%	0.737	S	S	*	*			trans	-88.6	-178.8	-161.2	-44.2	170.4	67.5	0	0	117.8
795	Q	26.3	Very low	29.4	Very low	146 Å²	146	143.8 Å²	143.8	68%	0.682	74%	0.736	S	S	*	*			trans	79.3	155.4	147.4	-72.7	150.8	30.5	0	0	118.9
796	F	23.9	Very low	29.6	Very low	195 Å²	195	145 Å²	145	86%	0.855	74%	0.738	S	S	*	*			cis	159	125.4	-28.3	-125.9	-75.8	0	0	0	105.6
797	R	26.7	Very low	29.9	Very low	196 Å²	196	143 Å²	143	74%	0.74	73%	0.729	S	S	*	*			trans	163.2	151.6	144.5	-94.9	178.2	154.1	129.4	0.4	110.3	E799	R797-E799 WeakPolarHBondContact CD-OE2 3.35Å; R797-E799 WeakPolarHBondContact CG-OE2 3.2Å; R797-E799 IonicContact CZ-OE1 2.74Å; R797-E799 IonicContact CZ-OE2 2.69Å; R797-E799 VanDerWaalsContact NE-CD 3.26Å; R797-E799 IonicContact NE-OE1 3.3Å; R797-E799 PolarHBondContact NE-OE1 3.22Å; R797-E799 IonicContact NE-OE2 3.74Å; R797-E799 PolarHBondContact NE-OE2 2.8Å; R797-E799 IonicContact NH2-OE1 3.04Å; R797-E799 PolarHBondContact NH2-OE1 2.97Å
798	I	25	Very low	30	Very low	165 Å²	165	140.8 Å²	140.8	85%	0.846	73%	0.731	S	S	*	*				-148.7	147.4	66.3	-81.2	163.8	0	0	0	112.6
799	E	30.2	Very low	30.1	Very low	112 Å²	112	142.5 Å²	142.5	52%	0.523	74%	0.737	S	S	.	*			trans	-97.7	174.8	172.6	-46.5	98.1	124.3	0	0	112.6	R797	R797-E799 WeakPolarHBondContact CD-OE2 3.35Å; R797-E799 WeakPolarHBondContact CG-OE2 3.2Å; R797-E799 IonicContact CZ-OE1 2.74Å; R797-E799 IonicContact CZ-OE2 2.69Å; R797-E799 VanDerWaalsContact NE-CD 3.26Å; R797-E799 IonicContact NE-OE1 3.3Å; R797-E799 PolarHBondContact NE-OE1 3.22Å; R797-E799 IonicContact NE-OE2 3.74Å; R797-E799 PolarHBondContact NE-OE2 2.8Å; R797-E799 IonicContact NH2-OE1 3.04Å; R797-E799 PolarHBondContact NH2-OE1 2.97Å
800	E	33.7	Very low	30.1	Very low	154 Å²	154	142.8 Å²	142.8	72%	0.72	74%	0.739	S	S	*	*			cis	-129.7	-145.8	8.8	-54.6	-179.9	85.3	0	0	110.2
801	K	28.7	Very low	31	Very low	153 Å²	153	140.2 Å²	140.2	67%	0.665	74%	0.736	S	S	*	*			cis	-161	177.2	-0.4	-136.9	178.7	179.7	71.6	0	106.7
802	A	29.7	Very low	31.2	Very low	83 Å²	83	141.6 Å²	141.6	69%	0.686	74%	0.738	S	S	*	*			cis	-155.5	-164.7	8.3	0	0	0	0	0	113.8
803	E	33.3	Very low	31.4	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	74%	0.737	S	S	*	*			trans	-71.3	167.6	-178.4	-61.8	147.5	126.6	0	0	116.2
804	G	26.7	Very low	31.5	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	73%	0.729	S	S	*	*			cis	157.1	179.4	-6.8	0	0	0	0	0	115.3
805	R	36.2	Very low	31.7	Very low	188 Å²	188	140.7 Å²	140.7	71%	0.709	74%	0.736	S	S	*	*			trans	69	156.5	165.9	-65.9	-168.8	118.5	-133.6	-18	117.8	E807	R805-E807 IonicContact CZ-OE1 3.7Å; R805-E807 IonicContact NE-OE1 3.94Å; R805-E807 IonicContact NH2-OE1 3.43Å; R805-E807 PolarHBondContact NH2-OE1 2.92Å
806	E	32.8	Very low	31.9	Very low	135 Å²	135	138.1 Å²	138.1	63%	0.631	74%	0.74	S	S	*	*			cis	-160	166.7	1.7	-119.9	161.3	129.8	0	0	107.9
807	E	36	Very low	32.1	Very low	146 Å²	146	137.6 Å²	137.6	68%	0.682	74%	0.737	S	S	*	*			cis	-168.6	178.7	-37.5	-102.3	176.8	-127.2	0	0	108.7	R805	R805-E807 IonicContact CZ-OE1 3.7Å; R805-E807 IonicContact NE-OE1 3.94Å; R805-E807 IonicContact NH2-OE1 3.43Å; R805-E807 PolarHBondContact NH2-OE1 2.92Å
808	A	29.4	Very low	32.3	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	74%	0.739	S	S	*	*			trans	79.8	163.4	161.8	0	0	0	0	0	122.8
809	V	30.5	Very low	32.5	Very low	126 Å²	126	129.3 Å²	129.3	76%	0.764	73%	0.727	S	S	*	*				-174.9	127.6	-65.2	139.4	0	0	0	0	114.5
810	L	28.2	Very low	32.5	Very low	158 Å²	158	135.2 Å²	135.2	83%	0.827	75%	0.746	S	S	*	*			trans	62.1	179.9	158.8	-63.4	171.6	0	0	0	119.8
811	P	47.9	Very low	32.2	Very low	111 Å²	111	131 Å²	131	72%	0.721	74%	0.744	S	S	*	*				-136	168.3	-68.6	42.3	-26.9	0	0	0	119.1
812	I	30.1	Very low	32.1	Very low	160 Å²	160	131 Å²	131	82%	0.821	76%	0.757	S	S	*	*			trans	-16.4	154.5	153.2	-68.9	165.4	0	0	0	118.5
813	P	52.4	Low	32.1	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	76%	0.758	S	S	*	*			cis	-141.6	-173.1	18.3	25.2	2.5	0	0	0	119.8
814	V	27.7	Very low	32.1	Very low	117 Å²	117	131.5 Å²	131.5	71%	0.709	76%	0.756	S	S	*	*			trans	116.7	113.2	142.1	-174.3	0	0	0	0	119.8
815	N	29.3	Very low	32.2	Very low	157 Å²	157	133.9 Å²	133.9	84%	0.84	76%	0.763	S	S	*	*			trans	39.6	141.1	153.5	-62.4	-19.1	0	0	0	122.2
816	A	30.8	Very low	31.6	Very low	91 Å²	91	129.7 Å²	129.7	75%	0.752	76%	0.761	S	S	*	*			cis	-172.3	-153.1	-9.8	0	0	0	0	0	107.1
817	K	29.8	Very low	31.3	Very low	184 Å²	184	128 Å²	128	80%	0.8	76%	0.764	S	S	*	*			cis	-170.5	128.5	5.2	-157.8	-155.3	174.2	-176.5	0	111.7
818	V	30.1	Very low	30.9	Very low	130 Å²	130	128.4 Å²	128.4	79%	0.788	77%	0.77	S	S	*	*			trans	63.6	142.3	170.6	-159.8	0	0	0	0	116.7
819	G	28.9	Very low	30.8	Very low	57 Å²	57	130.5 Å²	130.5	59%	0.588	77%	0.767	S	S	*	*			cis	160.7	159.2	-9.6	0	0	0	0	0	113.4
820	Y	29.7	Very low	31.2	Very low	237 Å²	237	130.6 Å²	130.6	93%	0.929	77%	0.77	S	S	*	*			trans	68.3	139.9	-173.1	-59.4	-80.2	0	0	0	116.5
821	G	27.2	Very low	31.1	Very low	65 Å²	65	127.8 Å²	127.8	67%	0.67	76%	0.764	S	S	*	*			cis	-169.8	126.8	-7.3	0	0	0	0	0	115.2
822	T	28.5	Very low	30.1	Very low	152 Å²	152	131.7 Å²	131.7	93%	0.933	77%	0.772	S	S	*	*			trans	49.7	128.6	156.2	-33.9	0	0	0	0	121.3
823	S	29	Very low	30.2	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	77%	0.768	S	S	*	*			trans	-130.9	161.4	-177.3	41.6	0	0	0	0	115
824	Q	33.8	Very low	29.4	Very low	170 Å²	170	130.4 Å²	130.4	79%	0.794	77%	0.772	S	S	*	*			trans	1	153.7	150.6	-61.5	172.2	-34.3	0	0	122.4
825	S	27.8	Very low	29.4	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	78%	0.775	S	S	*	*			trans	-163.4	143.7	130.1	27.4	0	0	0	0	108.9
826	C	24.3	Very low	29.2	Very low	100 Å²	100	132.9 Å²	132.9	68%	0.676	77%	0.769	S	S	*	*			cis	86.9	93.3	14.9	-64.6	0	0	0	0	118.8
827	S	25.5	Very low	29	Very low	99 Å²	99	134.5 Å²	134.5	69%	0.692	77%	0.769	S	S	*	*				59.2	116.9	122.8	65.3	0	0	0	0	124
828	L	28.3	Very low	28.9	Very low	155 Å²	155	137.4 Å²	137.4	81%	0.812	78%	0.775	S	S	*	*				80	134.3	127	-67.2	172.1	0	0	0	123.9
829	L	26.5	Very low	28.8	Very low	141 Å²	141	134.4 Å²	134.4	74%	0.738	77%	0.771	S	S	*	*			trans	71.5	147.6	146.1	-79.6	164.7	0	0	0	118.5
830	P	38.7	Very low	29.7	Very low	127 Å²	127	137.2 Å²	137.2	83%	0.825	78%	0.778	S	S	*	*				-131.9	-160.3	61.6	41	-24.3	0	0	0	115.2
831	S	27.3	Very low	29.6	Very low	99 Å²	99	132.7 Å²	132.7	69%	0.692	77%	0.77	S	S	*	*			trans	-131.4	153.1	-165.7	62.3	0	0	0	0	114.5
832	Q	26.6	Very low	29.9	Very low	193 Å²	193	135.4 Å²	135.4	90%	0.902	77%	0.774	S	S	*	*			trans	174.7	169.2	139.8	-98.2	172.8	17.4	0	0	111.5
833	V	31.6	Very low	30	Very low	122 Å²	122	135.1 Å²	135.1	74%	0.739	77%	0.766	S	S	*	*			trans	-130.9	153.3	178.5	-142.5	0	0	0	0	109
834	P	36.8	Very low	30.1	Very low	122 Å²	122	135 Å²	135	79%	0.792	77%	0.765	S	S	*	*				-148.5	-179.1	92.6	38.1	-19.5	0	0	0	115.7
835	F	26.9	Very low	30.1	Very low	176 Å²	176	131.7 Å²	131.7	77%	0.772	76%	0.761	S	S	*	*			trans	-70.7	173.2	168.3	-78.9	-140.8	0	0	0	111.1
836	E	26.1	Very low	30.3	Very low	150 Å²	150	131.9 Å²	131.9	70%	0.701	76%	0.758	S	S	*	*			cis	-161.4	169.1	14	-147.9	169.2	-139.3	0	0	113.7
837	T	26.6	Very low	30.6	Very low	125 Å²	125	133.5 Å²	133.5	77%	0.767	76%	0.759	S	S	*	*			trans	66.5	149	166.5	70.8	0	0	0	0	117.5
838	R	26.9	Very low	30.7	Very low	245 Å²	245	135.8 Å²	135.8	93%	0.925	76%	0.761	S	S	*	*			cis	-156.2	152.2	23.9	-164.5	175.8	-168.1	159.8	4.7	111.6
839	G	28.6	Very low	30.8	Very low	67 Å²	67	135.4 Å²	135.4	69%	0.691	76%	0.759	S	S	*	*			trans	-83.6	-155.7	177.6	0	0	0	0	0	115.5
840	P	46.7	Very low	30.9	Very low	116 Å²	116	135 Å²	135	75%	0.753	76%	0.762	S	S	*	*			cis	-146.2	-167.8	41.4	43.4	-23.3	0	0	0	117.9
841	N	27.3	Very low	30.5	Very low	142 Å²	142	137.1 Å²	137.1	76%	0.759	76%	0.761	S	S	*	*			trans	84.7	111.5	167.2	-58.8	1.4	0	0	0	117.5
842	V	35.2	Very low	30.4	Very low	122 Å²	122	138.1 Å²	138.1	74%	0.739	76%	0.759	S	S	*	*			cis	72.5	123	19.2	-169	0	0	0	0	111.8
843	D	30.2	Very low	30.5	Very low	145 Å²	145	137 Å²	137	78%	0.775	75%	0.751	S	S	*	*			cis	-166.1	177.9	3.9	-110.7	17.5	0	0	0	110
844	S	31.2	Very low	30.2	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	75%	0.747	S	S	*	*			cis	-173.8	-157.8	-19.1	-169.3	0	0	0	0	111.8
845	S	33.1	Very low	29.8	Very low	101 Å²	101	138.9 Å²	138.9	71%	0.706	75%	0.748	S	S	*	*			trans	-39.9	149	-178.2	-61.1	0	0	0	0	123.6
846	T	31.6	Very low	29.7	Very low	123 Å²	123	136 Å²	136	76%	0.755	75%	0.75	S	S	*	*			trans	80.7	129.5	134.5	-62.5	0	0	0	0	123.7
847	D	31.7	Very low	29.6	Very low	133 Å²	133	131.8 Å²	131.8	71%	0.711	75%	0.747	S	S	*	*			trans	93.5	144.3	146.1	-100.3	-33.8	0	0	0	127
848	M	27.8	Very low	29.6	Very low	147 Å²	147	132 Å²	132	72%	0.724	75%	0.753	S	S	*	*			trans	66.4	118.6	148.9	-71.7	-71.9	102.7	0	0	125.1
849	L	29.9	Very low	29.5	Very low	147 Å²	147	123.5 Å²	123.5	77%	0.77	74%	0.742	S	S	*	*			trans	-23.7	150.9	150.6	-55.1	164	0	0	0	118.9
850	V	29.2	Very low	30.1	Very low	133 Å²	133	126.5 Å²	126.5	81%	0.806	75%	0.749	S	S	*	*				-179.6	167.6	106.1	151.9	0	0	0	0	111.4
851	E	29	Very low	29.1	Very low	171 Å²	171	128.5 Å²	128.5	80%	0.799	75%	0.749	S	S	*	*			trans	-88.5	168.2	-153.4	-44.9	153	105	0	0	118.3
852	D	26.6	Very low	29	Very low	121 Å²	121	128.2 Å²	128.2	65%	0.647	75%	0.752	S	S	*	*			trans	91.5	150.2	131.4	-151.1	22	0	0	0	122.4
853	K	27.4	Very low	28.5	Very low	170 Å²	170	128.9 Å²	128.9	74%	0.739	75%	0.746	S	S	*	*			trans	69.3	146.3	159.3	-83.2	167.9	-176.1	109.3	0	120.1
854	V	26.1	Very low	28.2	Very low	107 Å²	107	131 Å²	131	65%	0.648	75%	0.751	S	S	*	*			cis	-163	159.4	-16.6	85.9	0	0	0	0	110.2
855	E	26.9	Very low	28	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	76%	0.758	S	S	*	*			trans	60	162.4	167.2	-75.6	165.1	-160.3	0	0	116.2
856	S	26.3	Very low	28.4	Very low	116 Å²	116	137 Å²	137	81%	0.811	76%	0.756	S	S	*	*			cis	-150	165.8	-22.2	50.4	0	0	0	0	104.9
857	G	23.8	Very low	28	Very low	61 Å²	61	135.8 Å²	135.8	63%	0.629	75%	0.752	S	S	*	*			cis	144.4	164.2	22.3	0	0	0	0	0	107.4
858	S	26.3	Very low	27.7	Very low	128 Å²	128	137.1 Å²	137.1	90%	0.895	76%	0.758	S	S	*	*			trans	69.6	135.4	177.7	75.1	0	0	0	0	119.2
859	G	24.2	Very low	27.5	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	76%	0.76	S	S	*	*			trans	-98.2	-140.7	152.2	0	0	0	0	0	109.6
860	P	41	Very low	27.2	Very low	130 Å²	130	135.8 Å²	135.8	84%	0.844	76%	0.759	S	S	*	*			cis	-136.7	-157.9	18.8	43.5	-24.3	0	0	0	114.3
861	Q	26.7	Very low	27.1	Very low	158 Å²	158	134.6 Å²	134.6	74%	0.738	76%	0.757	S	S	*	*			trans	-60.8	164.9	173.9	-52.9	157.6	-44.5	0	0	113.5
862	V	24.3	Very low	26.8	Very low	136 Å²	136	130 Å²	130	82%	0.824	76%	0.756	S	S	*	*				-166.6	148	114.3	138.6	0	0	0	0	112.6
863	H	25.4	Very low	26.9	Very low	136 Å²	136	133.4 Å²	133.4	63%	0.63	77%	0.765	S	S	*	*			trans	-75.1	162.3	-177.5	-53.8	-97.9	0	0	0	114
864	H	24.6	Very low	26.8	Very low	189 Å²	189	131.4 Å²	131.4	88%	0.875	76%	0.762	S	S	*	*				-177.1	162.1	101.1	-97.6	-75.8	0	0	0	115
865	R	26.6	Very low	26.8	Very low	222 Å²	222	137.6 Å²	137.6	84%	0.838	77%	0.774	S	S	*	*			trans	-99.4	-174.8	179.5	-133	-178.7	178.6	-173.7	0.8	108.3
866	P	40.8	Very low	27.1	Very low	104 Å²	104	136.8 Å²	136.8	68%	0.675	77%	0.774	S	S	*	*			cis	-146.7	172.5	-2.2	43.6	-23.6	0	0	0	119.4
867	C	23	Very low	28	Very low	99 Å²	99	137 Å²	137	67%	0.669	77%	0.773	S	S	*	*			trans	56.8	129.1	134.7	-72.7	0	0	0	0	127.7
868	L	25.4	Very low	28.3	Very low	161 Å²	161	142.5 Å²	142.5	84%	0.843	78%	0.782	S	S	*	*				88.7	166.8	124.7	-78.5	168.6	0	0	0	123.2
869	V	24.1	Very low	28.6	Very low	125 Å²	125	143 Å²	143	76%	0.758	78%	0.78	S	S	*	*			trans	79.4	136.1	178.3	-174.7	0	0	0	0	114.1
870	N	24.3	Very low	28.9	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	78%	0.784	S	S	*	*			cis	-154.5	168.5	-18.6	-105.2	2	0	0	0	107.6
871	S	25.8	Very low	28.3	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	78%	0.778	S	S	*	*			cis	115.6	100	2.8	-161.1	0	0	0	0	115.5
872	G	24	Very low	28.8	Very low	76 Å²	76	145.3 Å²	145.3	78%	0.784	77%	0.771	S	S	*	*			trans	77.1	161	172	0	0	0	0	0	116.9
873	K	27	Very low	29	Very low	191 Å²	191	144.2 Å²	144.2	83%	0.83	77%	0.77	S	S	*	*			cis	-167.4	174.8	-18.3	-142.7	-177.9	-177.7	-178.7	0	110.8
874	D	26.9	Very low	29.8	Very low	129 Å²	129	143.2 Å²	143.2	69%	0.69	78%	0.775	S	S	*	*			trans	85.1	112.8	155.8	-58.8	-29.7	0	0	0	124.6
875	R	25	Very low	29.9	Very low	236 Å²	236	140.2 Å²	140.2	89%	0.891	78%	0.775	S	S	*	*			trans	34.9	119.8	134	-65.5	-177.5	169.4	-165.3	-4.4	124.6
876	L	33.5	Very low	30.1	Very low	159 Å²	159	138 Å²	138	83%	0.832	78%	0.775	S	S	*	*				20	140.4	119.5	-91.7	165.2	0	0	0	121.3
877	P	45.4	Very low	29.5	Very low	120 Å²	120	138.9 Å²	138.9	78%	0.779	78%	0.778	S	S	*	*				-148	-162.4	92.5	41.2	-25.5	0	0	0	114.2
878	Q	31	Very low	29.5	Very low	177 Å²	177	139.1 Å²	139.1	83%	0.827	78%	0.781	S	S	*	*				-170.9	130	-64.3	-177.1	-177.2	22.1	0	0	110.9
879	T	30.6	Very low	29.8	Very low	138 Å²	138	139.5 Å²	139.5	85%	0.847	78%	0.783	S	S	*	*			trans	-164.3	173.6	165.3	38.3	0	0	0	0	110.4
880	M	31	Very low	29.9	Very low	158 Å²	158	139.6 Å²	139.6	78%	0.778	78%	0.783	S	S	*	*				-166.5	154.1	-55.7	-155.8	174.3	172.1	0	0	109.6
881	E	29	Very low	29.8	Very low	155 Å²	155	139.2 Å²	139.2	72%	0.724	78%	0.777	S	S	*	*			trans	61.8	142	172	-64.2	-64.5	103.7	0	0	119.1
882	P	37.8	Very low	30.2	Very low	92 Å²	92	143.9 Å²	143.9	60%	0.597	78%	0.778	S	S	*	*			cis	-139.1	134.8	-40.4	33.8	-15.3	0	0	0	115.9
883	S	27.1	Very low	30.2	Very low	114 Å²	114	146.5 Å²	146.5	80%	0.797	78%	0.782	S	S	*	*			trans	76.9	163.5	140.5	85.3	0	0	0	0	119.7
884	P	43.3	Very low	30.6	Very low	115 Å²	115	146.3 Å²	146.3	75%	0.747	78%	0.784	S	S	*	*				-142.5	143.1	-85.1	36.3	-17	0	0	0	117.6
885	S	26.6	Very low	30.5	Very low	125 Å²	125	147.6 Å²	147.6	87%	0.874	80%	0.796	S	S	*	*			trans	173.9	159.8	134.4	36.2	0	0	0	0	112.6
886	E	30.3	Very low	30.5	Very low	177 Å²	177	139.8 Å²	139.8	83%	0.827	79%	0.789	S	S	*	*			trans	-131.7	177.4	-177.9	-58.2	179.2	45.7	0	0	109.4
887	T	27.8	Very low	30.2	Very low	121 Å²	121	137.5 Å²	137.5	74%	0.742	79%	0.786	S	S	*	*			cis	-150.6	-173.6	11	-21	0	0	0	0	106.5
888	S	24.4	Very low	29.2	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	78%	0.784	S	S	*	*			cis	-163.1	-175.7	6.3	56.8	0	0	0	0	110.6
889	L	31	Very low	28.8	Very low	169 Å²	169	134.6 Å²	134.6	89%	0.885	78%	0.777	S	S	*	*			trans	-107.6	124.5	161.8	-100	166.8	0	0	0	109.1
890	V	25.7	Very low	28.5	Very low	127 Å²	127	135.6 Å²	135.6	77%	0.77	77%	0.772	S	S	*	*			trans	-177.9	153.3	149.3	134	0	0	0	0	113.3
891	E	22.6	Very low	28.2	Very low	133 Å²	133	138.3 Å²	138.3	62%	0.621	77%	0.774	S	S	*	*			trans	-10.7	164.7	169	-54.5	-175.5	79.8	0	0	125.7
892	R	33.4	Very low	28	Very low	206 Å²	206	137.3 Å²	137.3	78%	0.777	78%	0.778	S	S	*	*			trans	16.7	135.7	135.7	-57.9	169.9	167.5	136.7	-13	119.6
893	P	24.8	Very low	27.4	Very low	131 Å²	131	138.2 Å²	138.2	85%	0.851	79%	0.787	S	S	*	*			trans	-90.3	103.1	150.7	33.6	-28.6	0	0	0	112.4
894	Q	34.8	Very low	27.8	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	79%	0.789	S	S	*	*			trans	-148.5	103.8	148.8	-89.4	-154.2	2.8	0	0	111.1
895	V	26.1	Very low	26.9	Very low	155 Å²	155	136.2 Å²	136.2	94%	0.939	78%	0.782	S	S	*	*			trans	-151.9	136.3	165.2	-176.5	0	0	0	0	105.9
896	G	24.9	Very low	26.8	Very low	72 Å²	72	135.9 Å²	135.9	74%	0.742	78%	0.779	S	S	*	*			cis	-159.7	-153	-6	0	0	0	0	0	107.9
897	S	25.7	Very low	26.5	Very low	111 Å²	111	133 Å²	133	78%	0.776	77%	0.774	S	S	*	*			cis	-167.3	159.9	-0.8	-155.6	0	0	0	0	110.6
898	V	24.6	Very low	26.6	Very low	121 Å²	121	135.1 Å²	135.1	73%	0.733	78%	0.78	S	S	*	*			trans	68.8	98.2	155.8	172.3	0	0	0	0	120.4
899	V	24.4	Very low	26.6	Very low	115 Å²	115	134.6 Å²	134.6	70%	0.697	78%	0.777	S	S	*	*				78.2	138	122.5	173.7	0	0	0	0	123
900	H	23.8	Very low	26.3	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.736	77%	0.772	S	S	*	*			trans	89.7	108.9	158.1	-76.3	-24.2	0	0	0	122.6
901	R	24.3	Very low	26.3	Very low	216 Å²	216	133.8 Å²	133.8	82%	0.815	77%	0.773	S	S	*	*			trans	78.5	138.8	130.5	-76.3	-175.5	168.9	172.6	-2.5	122.4
902	T	23.7	Very low	26.4	Very low	133 Å²	133	136.9 Å²	136.9	82%	0.816	78%	0.779	S	S	*	*			trans	68.6	124.9	145.2	45.7	0	0	0	0	121.9
903	S	27.1	Very low	26	Very low	112 Å²	112	132 Å²	132	78%	0.783	78%	0.776	S	S	*	*			trans	-57.8	154.9	150.1	-26.2	0	0	0	0	110.9
904	P	34.8	Very low	26.6	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	77%	0.771	S	S	*	*				-123.7	-174.6	60	10.3	14.3	0	0	0	112.5
905	G	23.2	Very low	26	Very low	58 Å²	58	127 Å²	127	60%	0.598	76%	0.761	S	S	*	*			cis	125.5	138.2	0.1	0	0	0	0	0	112.7
906	S	25.8	Very low	26.3	Very low	118 Å²	118	124.5 Å²	124.5	83%	0.825	76%	0.757	S	S	*	*			trans	65.3	162.8	-179	80.1	0	0	0	0	116.3
907	T	24.1	Very low	26.4	Very low	117 Å²	117	128.4 Å²	128.4	72%	0.718	76%	0.76	S	S	*	*			cis	-171.1	137.8	-34.2	-85.3	0	0	0	0	106.1
908	L	29	Very low	26.5	Very low	166 Å²	166	128.3 Å²	128.3	87%	0.869	76%	0.757	S	S	*	*			trans	-162.3	118	145.7	-112.5	168.9	0	0	0	111.5
909	S	24	Very low	26.6	Very low	93 Å²	93	131 Å²	131	65%	0.65	77%	0.766	S	S	*	*			trans	-123	131.2	178.4	57.2	0	0	0	0	109.6
910	L	26.1	Very low	26.8	Very low	150 Å²	150	130 Å²	130	79%	0.785	77%	0.769	S	S	*	*			trans	174.2	144.1	169.2	-91.5	145.5	0	0	0	105.4
911	T	25.1	Very low	27	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	78%	0.775	S	S	*	*			cis	-155.1	175.6	-25.1	-4.2	0	0	0	0	107.9
912	R	25.4	Very low	27	Very low	197 Å²	197	127 Å²	127	74%	0.743	78%	0.778	S	S	*	*			trans	-108.6	135.3	-170.4	-173	-178.2	-176.1	-168.6	0.9	112.4
913	S	25	Very low	27.1	Very low	103 Å²	103	129.2 Å²	129.2	72%	0.72	78%	0.777	S	S	*	*			trans	65.5	170.4	160.2	-70	0	0	0	0	117.6
914	P	36.6	Very low	27.2	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	79%	0.785	S	S	*	*			cis	-123.6	-143.1	-11.5	31.8	-9.8	0	0	0	111.4
915	C	23.3	Very low	26.7	Very low	99 Å²	99	131.3 Å²	131.3	67%	0.669	78%	0.783	S	S	*	*			trans	87.1	100.2	165.2	-57.5	0	0	0	0	117.2	L917	C915-L917 HydrophobicContact CB-CG 4.46Å
916	A	32	Very low	26.8	Very low	103 Å²	103	136.4 Å²	136.4	85%	0.851	80%	0.796	S	S	*	*			trans	-62.6	138	145.6	0	0	0	0	0	109.2
917	L	27.6	Very low	26.7	Very low	155 Å²	155	136 Å²	136	81%	0.812	79%	0.789	S	S	*	*			trans	-142.1	161.4	173.7	-81.9	-175.2	0	0	0	109.8	C915	C915-L917 HydrophobicContact CB-CG 4.46Å
918	P	27.2	Very low	26.7	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	80%	0.796	S	S	*	*			trans	-97.8	179.6	-141.9	38.1	-39.3	0	0	0	114.8	A920	P918-A920 PolarHBondContact O-N 3.46Å
919	L	26	Very low	26.6	Very low	177 Å²	177	136.1 Å²	136.1	93%	0.927	79%	0.794	S	S	*	*			trans	-52.2	127.4	156.4	-90.2	74.2	0	0	0	109.9
920	A	28.2	Very low	26.6	Very low	93 Å²	93	135.5 Å²	135.5	77%	0.769	80%	0.802	S	S	*	*			trans	-122.1	155.6	160.5	0	0	0	0	0	108.5	P918 C922	P918-A920 PolarHBondContact O-N 3.46Å; A920-C922 PolarHBondContact O-N 3.5Å
921	E	28.3	Very low	26.7	Very low	183 Å²	183	132.7 Å²	132.7	86%	0.855	80%	0.801	S	S	*	*			trans	-65	123.4	-167.1	-56.1	175.7	136.4	0	0	112.9
922	C	24.2	Very low	27.2	Very low	131 Å²	131	132.2 Å²	132.2	89%	0.885	80%	0.8	S	S	*	*			trans	-91.4	111.8	164.7	-164.5	0	0	0	0	109	A920	A920-C922 PolarHBondContact O-N 3.5Å
923	K	27.1	Very low	27.2	Very low	179 Å²	179	131.2 Å²	131.2	78%	0.778	80%	0.804	S	S	*	*			trans	-86.3	141.7	168.9	-83.3	-178.6	176.1	171.6	0	110.3
924	E	27.6	Very low	27.4	Very low	206 Å²	206	131.2 Å²	131.2	96%	0.963	80%	0.799	S	S	*	*			trans	-60.6	142.6	174.5	-60.8	173.4	116	0	0	111.5
925	G	25.3	Very low	27.1	Very low	77 Å²	77	133.8 Å²	133.8	79%	0.794	80%	0.802	S	S	*	*			trans	-160.7	66.8	-176.3	0	0	0	0	0	111.3	V927	G925-V927 PolarHBondContact O-N 3.29Å
926	L	24.6	Very low	27.8	Very low	166 Å²	166	135.5 Å²	135.5	87%	0.869	80%	0.804	S	S	*	*			trans	-72.7	124.6	-173.9	-167	74.3	0	0	0	112.4
927	V	25.1	Very low	27.6	Very low	110 Å²	110	142.6 Å²	142.6	67%	0.667	81%	0.809	S	S	*	*			trans	18.8	125.8	150.1	-174.5	0	0	0	0	118.6	G925	G925-V927 PolarHBondContact O-N 3.29Å
928	C	24	Very low	27.6	Very low	130 Å²	130	139.5 Å²	139.5	88%	0.878	81%	0.806	S	S	*	*			trans	-148.1	141.3	137.8	-146.2	0	0	0	0	111.7
929	N	25.1	Very low	27.8	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	81%	0.806	S	S	*	*			trans	-82	157.2	-173	-69	-42.7	0	0	0	113.4
930	G	25.9	Very low	28.1	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	80%	0.796	S	S	*	*			trans	-166	75.3	175.1	0	0	0	0	0	114.9
931	A	27.8	Very low	28.2	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	79%	0.794	S	S	*	*			trans	-76.2	153.6	153.4	0	0	0	0	0	108.7
932	P	35.7	Very low	29.2	Very low	119 Å²	119	137.2 Å²	137.2	77%	0.773	79%	0.785	S	S	*	*				-122	163.4	58.4	12.7	12.1	0	0	0	112.9
933	E	23.9	Very low	30.4	Very low	177 Å²	177	137 Å²	137	83%	0.827	78%	0.782	S	S	*	*				65.1	130.6	55.8	-79.4	-165.6	-148.3	0	0	114.2
934	T	30.1	Very low	30.4	Very low	102 Å²	102	132.1 Å²	132.1	63%	0.626	78%	0.782	S	S	*	*			cis	-161.6	174.5	-11.4	-49.2	0	0	0	0	110.6
935	E	30.6	Very low	30.4	Very low	169 Å²	169	130 Å²	130	79%	0.79	78%	0.776	S	S	*	*			trans	96.7	151	148	-68.3	-164.2	163.3	0	0	120
936	N	37.3	Very low	30.5	Very low	135 Å²	135	131 Å²	131	72%	0.722	77%	0.772	S	S	*	*			cis	144.9	141	-17.7	-93.7	-22.1	0	0	0	108.7
937	R	28.4	Very low	30.6	Very low	251 Å²	251	128.6 Å²	128.6	95%	0.947	76%	0.764	S	S	*	*			trans	-169.2	154.4	157.5	-82.9	-141.1	173.1	-166.1	-4.3	109.2
938	A	27.1	Very low	30.7	Very low	91 Å²	91	130.5 Å²	130.5	75%	0.752	77%	0.769	S	S	*	*			cis	-135.6	179.4	2.3	0	0	0	0	0	108.9
939	S	32	Very low	30.9	Very low	100 Å²	100	131.3 Å²	131.3	70%	0.699	76%	0.76	S	S	*	*			cis	-169	140.9	39.7	-175.4	0	0	0	0	113.3
940	E	31.7	Very low	31	Very low	157 Å²	157	130.3 Å²	130.3	73%	0.734	75%	0.752	S	S	*	*			trans	33.2	148.1	144.1	-65.8	-168.3	-166.1	0	0	122.6
941	Q	30.1	Very low	30.9	Very low	156 Å²	156	137.1 Å²	137.1	73%	0.729	76%	0.755	S	S	*	*			cis	-168.4	-169.5	14.2	-123.8	-172.7	66.9	0	0	107.7
942	P	48.8	Very low	30.8	Very low	100 Å²	100	137.6 Å²	137.6	65%	0.649	76%	0.759	S	S	*	*				-125.6	-156.3	-52.9	36.2	-16.1	0	0	0	111.2
943	P	50.4	Low	30.4	Very low	127 Å²	127	138.2 Å²	138.2	83%	0.825	76%	0.761	S	S	*	*				-127	166	-55.1	33.5	-16.7	0	0	0	115
944	G	27	Very low	31.4	Very low	76 Å²	76	134.7 Å²	134.7	78%	0.784	75%	0.753	S	S	*	*			trans	134	126.1	158.1	0	0	0	0	0	114.5
945	L	27.8	Very low	31	Very low	161 Å²	161	137.5 Å²	137.5	84%	0.843	76%	0.764	S	S	*	*			cis	-151.6	132.9	1.1	-162.7	106.4	0	0	0	111.4
946	S	26.2	Very low	30.8	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	75%	0.754	S	S	*	*			trans	67.6	156	158.4	73.4	0	0	0	0	120.4
947	T	28.4	Very low	30.4	Very low	114 Å²	114	133.9 Å²	133.9	70%	0.699	76%	0.758	S	S	*	*			cis	-170.1	118.9	-26.7	-87.4	0	0	0	0	109.5
948	L	27.4	Very low	30.3	Very low	150 Å²	150	130.9 Å²	130.9	79%	0.785	75%	0.752	S	S	*	*			trans	59.4	161.1	156.6	-60.6	171.4	0	0	0	119.9
949	Q	27.3	Very low	30.6	Very low	147 Å²	147	130.1 Å²	130.1	69%	0.687	75%	0.746	S	S	*	*			cis	-167.9	168.3	-38.6	-156.2	-177.2	7.2	0	0	109.7
950	M	27.1	Very low	30.5	Very low	135 Å²	135	133.2 Å²	133.2	67%	0.665	76%	0.755	S	S	*	*			trans	82.7	99.5	157	-62.2	-54	-157.1	0	0	121.3
951	Y	24.7	Very low	30.4	Very low	222 Å²	222	129.1 Å²	129.1	87%	0.871	75%	0.754	S	S	*	*				24.5	121.6	123.6	-70.7	-87.5	0	0	0	120.9
952	A	25.1	Very low	30.5	Very low	101 Å²	101	130.6 Å²	130.6	84%	0.835	76%	0.761	S	S	*	*				-170.2	153.6	112.8	0	0	0	0	0	113.1
953	T	26.5	Very low	29.6	Very low	132 Å²	132	130.8 Å²	130.8	81%	0.81	77%	0.771	S	S	*	*			trans	-93.2	172.9	166.2	48.7	0	0	0	0	111.4
954	P	44.5	Very low	28.6	Very low	102 Å²	102	128.1 Å²	128.1	66%	0.662	77%	0.767	S	S	*	*			cis	-121.5	-159.1	-26.3	37.7	-20.4	0	0	0	111.2
955	N	23.3	Very low	28.9	Very low	162 Å²	162	136.5 Å²	136.5	87%	0.866	78%	0.775	S	S	*	*			trans	70.3	166.1	-172.4	-39.4	-68.6	0	0	0	112.2
956	G	26.7	Very low	29	Very low	56 Å²	56	133.4 Å²	133.4	58%	0.577	77%	0.767	S	S	*	*			cis	151.1	146.7	-5.6	0	0	0	0	0	111.6
957	H	27.8	Very low	29.2	Very low	171 Å²	171	136.7 Å²	136.7	79%	0.792	77%	0.768	S	S	*	*			trans	68.5	161.8	-179.1	-45.6	-86.1	0	0	0	115
958	F	26	Very low	29.1	Very low	188 Å²	188	136.9 Å²	136.9	83%	0.825	77%	0.765	S	S	*	*			cis	-127.6	141	7.8	-84.9	-98.7	0	0	0	110
959	A	33.8	Very low	29	Very low	76 Å²	76	134.2 Å²	134.2	63%	0.628	76%	0.759	S	S	*	*				81.3	150.4	67.9	0	0	0	0	0	113.7
960	N	30.7	Very low	28.9	Very low	165 Å²	165	134.8 Å²	134.8	88%	0.882	77%	0.766	S	S	*	*			cis	-124.5	-179.6	5.3	-70.3	-54.3	0	0	0	109.6
961	G	29.5	Very low	28.8	Very low	70 Å²	70	132.9 Å²	132.9	72%	0.722	77%	0.766	S	S	*	*			cis	156.4	160.4	5.4	0	0	0	0	0	107.6
962	E	30.7	Very low	28.9	Very low	187 Å²	187	132.2 Å²	132.2	87%	0.874	76%	0.762	S	S	*	*			cis	-150.8	166.3	2.4	-69.5	-169.8	89.7	0	0	111.4
963	A	31.2	Very low	29	Very low	104 Å²	104	133.3 Å²	133.3	86%	0.86	75%	0.75	S	S	*	*			trans	43.9	134.7	150.1	0	0	0	0	0	123.1
964	G	28.4	Very low	28.9	Very low	71 Å²	71	133.9 Å²	133.9	73%	0.732	75%	0.747	S	S	*	*			cis	161.9	178.7	-6.8	0	0	0	0	0	116.2
965	R	33.3	Very low	28	Very low	252 Å²	252	134.4 Å²	134.4	95%	0.951	75%	0.753	S	S	*	*			trans	64.4	129.4	176.8	-63.6	-170.8	178	-144.9	0.2	116.8
966	S	30.2	Very low	28.1	Very low	97 Å²	97	131.3 Å²	131.3	68%	0.678	75%	0.75	S	S	*	*			cis	173.4	151.3	4.4	47.6	0	0	0	0	110.5
967	K	30.2	Very low	28.2	Very low	168 Å²	168	137.1 Å²	137.1	73%	0.73	76%	0.764	S	S	*	*			trans	72.9	128	145.3	-81.8	178.9	150.6	-78.2	0	121.5
968	D	26.8	Very low	28.1	Very low	119 Å²	119	133.7 Å²	133.7	64%	0.636	76%	0.759	S	S	*	*				59	157.2	129.7	-51	-19.9	0	0	0	120.6
969	S	25.1	Very low	28.1	Very low	93 Å²	93	130.4 Å²	130.4	65%	0.65	76%	0.758	S	S	*	*			cis	-178.2	139.8	-32	-93	0	0	0	0	106.9
970	L	25.5	Very low	27.7	Very low	159 Å²	159	132.2 Å²	132.2	83%	0.832	77%	0.767	S	S	*	*			trans	54.9	127.3	156.5	-66.9	169.2	0	0	0	121.4
971	S	24.6	Very low	27.6	Very low	95 Å²	95	130.2 Å²	130.2	66%	0.664	77%	0.765	S	S	*	*			trans	76.7	160	137.8	82.4	0	0	0	0	120.5
972	R	28.2	Very low	27.6	Very low	209 Å²	209	130.8 Å²	130.8	79%	0.789	76%	0.763	S	S	*	*			trans	68.1	154.3	160.7	-70	-175	-169.1	-99.9	3.5	116.3
973	Q	25.3	Very low	27.3	Very low	124 Å²	124	129.4 Å²	129.4	58%	0.579	76%	0.756	S	S	*	*			cis	-166.5	154.2	-27.4	-122.9	-178.6	-58.7	0	0	109.3
974	L	25.3	Very low	27.1	Very low	143 Å²	143	130.9 Å²	130.9	75%	0.749	75%	0.749	S	S	*	*			trans	65	163.6	148.9	-66.5	168	0	0	0	119.9
975	S	26.4	Very low	26.9	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	75%	0.748	S	S	*	*			trans	76.1	101.6	166.6	-49.2	0	0	0	0	115
976	A	25.4	Very low	26.5	Very low	96 Å²	96	127.1 Å²	127.1	79%	0.793	73%	0.733	S	S	*	*			cis	89.6	178.7	46.5	0	0	0	0	0	113.5
977	M	28.2	Very low	26.3	Very low	178 Å²	178	133 Å²	133	88%	0.877	74%	0.741	S	S	*	*			trans	75.6	102.2	-160.9	-46.6	-161.8	77.2	0	0	111.1
978	S	24.7	Very low	26.1	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	74%	0.744	S	S	*	*			cis	63.9	108.9	42.2	-139.7	0	0	0	0	109.9
979	C	26.1	Very low	26	Very low	119 Å²	119	133.8 Å²	133.8	80%	0.804	75%	0.752	S	S	*	*				57.7	130.2	84.3	-62.5	0	0	0	0	111.8
980	S	26.2	Very low	26	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	76%	0.758	S	S	*	*			cis	-168.8	-167.1	14	53.5	0	0	0	0	111.3
981	S	28.3	Very low	26.1	Very low	122 Å²	122	137.3 Å²	137.3	85%	0.853	75%	0.753	S	S	*	*			trans	83.8	161.9	167.6	-152.8	0	0	0	0	117.1
982	A	29.7	Very low	26.3	Very low	82 Å²	82	141.7 Å²	141.7	68%	0.678	76%	0.76	S	S	*	*			trans	-138.4	170.8	-164.3	0	0	0	0	0	111.8
983	H	25.5	Very low	26.1	Very low	158 Å²	158	143.3 Å²	143.3	73%	0.731	77%	0.766	S	S	*	*			trans	-173.4	162.6	133.5	-100.3	-67.8	0	0	0	111.3
984	L	26.6	Very low	26.1	Very low	135 Å²	135	143.4 Å²	143.4	71%	0.707	77%	0.77	S	S	*	*			trans	-83.1	152.4	-178.8	-64.2	76	0	0	0	112.2
985	H	24.1	Very low	26.2	Very low	154 Å²	154	144.4 Å²	144.4	71%	0.713	77%	0.771	S	S	*	*				163.9	155.4	106.4	-88.3	104.1	0	0	0	116
986	S	23.7	Very low	26.2	Very low	91 Å²	91	142.7 Å²	142.7	64%	0.636	76%	0.758	S	S	*	*			trans	105.5	121.2	133.6	-137.2	0	0	0	0	121.7
987	R	26.1	Very low	26.3	Very low	221 Å²	221	146.8 Å²	146.8	83%	0.834	76%	0.761	S	S	*	*			trans	53.3	124.3	136.4	-67.8	176.4	177.4	165.2	1.2	120.3
988	N	26.9	Very low	26.2	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	76%	0.761	S	S	*	*				73.9	108.8	63.7	-82.7	-16.7	0	0	0	116.5
989	L	24.8	Very low	26.2	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	77%	0.765	S	S	*	*			trans	-164.6	120	145.9	-93.1	131.6	0	0	0	107
990	H	25	Very low	26.3	Very low	169 Å²	169	149.2 Å²	149.2	78%	0.782	77%	0.771	S	S	*	*				86.6	149.2	59.9	-100.5	-47.6	0	0	0	116.8
991	H	27.3	Very low	26.9	Very low	156 Å²	156	149 Å²	149	72%	0.722	77%	0.767	S	S	*	*			trans	107.1	111.1	169.7	-62.2	-77.2	0	0	0	114.9
992	K	27.5	Very low	26.7	Very low	188 Å²	188	149.1 Å²	149.1	82%	0.817	77%	0.768	S	S	*	*				72.7	108.6	54.1	-79.4	-166.6	170	-175.9	0	115.3
993	W	24.8	Very low	26.6	Very low	243 Å²	243	149.5 Å²	149.5	92%	0.92	77%	0.771	S	S	*	*			trans	-154.5	-179.3	135.8	-138.2	59	0	0	0	113.6
994	L	25.5	Very low	26.8	Very low	126 Å²	126	148.9 Å²	148.9	66%	0.66	78%	0.778	S	S	*	*			trans	-136	157.8	-161.9	-72.7	153.8	0	0	0	113.3
995	H	26.9	Very low	26.7	Very low	164 Å²	164	148 Å²	148	76%	0.759	78%	0.784	S	S	*	*			trans	11.9	141.5	152	-56.6	-64.4	0	0	0	119.7
996	S	25.9	Very low	26.9	Very low	77 Å²	77	145.3 Å²	145.3	54%	0.538	78%	0.782	S	S	.	*			cis	171.2	151.5	36.1	-128.8	0	0	0	0	112.2
997	H	27.9	Very low	27.4	Very low	183 Å²	183	146.9 Å²	146.9	85%	0.847	79%	0.79	S	S	*	*			trans	60	153.6	157	-46.2	-52.7	0	0	0	119.2
998	S	26.8	Very low	27.6	Very low	125 Å²	125	143.9 Å²	143.9	87%	0.874	79%	0.791	S	S	*	*			cis	-152	152.8	-2.4	-162.9	0	0	0	0	110.6
999	G	23.9	Very low	27.7	Very low	76 Å²	76	145.8 Å²	145.8	78%	0.784	80%	0.795	S	S	*	*			trans	158.6	127.4	167.7	0	0	0	0	0	116.7
1000	R	28	Very low	28	Very low	245 Å²	245	143.6 Å²	143.6	93%	0.925	79%	0.79	S	S	*	*			trans	-151.1	164.7	169.6	-126.8	-164.8	170.7	-164.8	-0.8	106.8
1001	P	39	Very low	28.4	Very low	111 Å²	111	140 Å²	140	72%	0.721	78%	0.783	S	S	*	*			cis	-135.9	159.4	-3.4	40.4	-23.7	0	0	0	116.5
1002	S	23.8	Very low	28.9	Very low	125 Å²	125	137.6 Å²	137.6	87%	0.874	77%	0.768	S	S	*	*			trans	-153.4	167.6	145.2	58.7	0	0	0	0	108.5
1003	A	29.6	Very low	29.3	Very low	90 Å²	90	133 Å²	133	74%	0.744	76%	0.76	S	S	*	*			trans	-124.9	135.1	-167	0	0	0	0	0	113.3
1004	T	28	Very low	30.1	Very low	144 Å²	144	126.1 Å²	126.1	88%	0.883	74%	0.738	S	S	*	*			trans	-176.8	179.8	155.3	9.4	0	0	0	0	110.1
1005	S	26.2	Very low	31.1	Very low	118 Å²	118	124 Å²	124	83%	0.825	73%	0.727	S	S	*	*			trans	74.3	123.9	177.5	66.5	0	0	0	0	117.7
1006	S	27.3	Very low	32.1	Very low	97 Å²	97	119.3 Å²	119.3	68%	0.678	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-76	155.6	160.1	43.5	0	0	0	0	110.6
1007	P	33.8	Very low	32.8	Very low	124 Å²	124	120.6 Å²	120.6	81%	0.805	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-72.5	131.7	175.3	30.3	-33.7	0	0	0	111.5
1008	D	29.9	Very low	33.7	Very low	157 Å²	157	115 Å²	115	84%	0.84	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-65.3	146.2	172.8	-60.7	-65.5	0	0	0	111.8
1009	Q	30.6	Very low	34.7	Very low	189 Å²	189	110.5 Å²	110.5	88%	0.883	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-80.7	135.2	170.1	-73.1	-176.5	-34.6	0	0	110.6
1010	P	31.4	Very low	35.8	Very low	108 Å²	108	109.3 Å²	109.3	70%	0.701	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-72.7	152.7	174.4	31	-34.7	0	0	0	111.7
1011	S	32.4	Very low	36.5	Very low	93 Å²	93	99.6 Å²	99.6	65%	0.65	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-72.4	165.3	-177	55.1	0	0	0	0	113.8	S1013	S1011-S1013 PolarHBondContact O-N 3.43Å
1012	R	38.1	Very low	36.8	Very low	107 Å²	107	95.9 Å²	95.9	40%	0.404	58%	0.577	S	S	.	*	S	Bend	trans	-54.8	5.2	-169.5	-75.6	-176.6	166.2	121.2	12.7	118.4	E143 E145 H1014	E143-R1012 VanDerWaalsContact CD-NH1 3.31Å; E143-R1012 VanDerWaalsContact CD-NH2 3.27Å; E143-R1012 IonicContact OE1-CZ 2.93Å; E143-R1012 VanDerWaalsContact OE1-CZ 3.31Å; E143-R1012 IonicContact OE1-NH1 3.24Å; E143-R1012 PolarHBondContact OE1-NH1 3.05Å; E143-R1012 IonicContact OE1-NH2 2.78Å; E143-R1012 PolarHBondContact OE1-NH2 2.71Å; E143-R1012 IonicContact OE2-CZ 3.89Å; E143-R1012 IonicContact OE2-NH1 3.41Å; E143-R1012 PolarHBondContact OE2-NH1 3.14Å; E143-R1012 IonicContact OE2-NH2 3.61Å; E143-R1012 PolarHBondContact OE2-NH2 3.02Å; E145-R1012 IonicContact OE2-NH1 2.91Å; R1012-H1014 PolarHBondContact O-N 3.45Å
1013	S	35.9	Very low	37.8	Very low	92 Å²	92	98.3 Å²	98.3	64%	0.643	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	14.4	-178.2	62.6	0	0	0	0	116.7	S1011	S1011-S1013 PolarHBondContact O-N 3.43Å
1014	H	41.9	Very low	38.4	Very low	97 Å²	97	98.9 Å²	98.9	45%	0.449	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.2	10	-170.3	-68.8	-70	0	0	0	114.7	R1012 V1022	R1012-H1014 PolarHBondContact O-N 3.45Å; H1014-V1022 PolarHBondContact O-N 3.46Å
1015	L	45.3	Very low	39.6	Very low	83 Å²	83	94.7 Å²	94.7	44%	0.435	54%	0.535	S	S	.	.	B	Isolated β-bridge	trans	-104.9	151	170.3	-59.5	179.4	0	0	0	111	L35 M1020	L35-L1015 HydrophobicContact CD2-CD2 3.83Å; L1015-M1020 CarbonylContact C-O 3.51Å; L1015-M1020 WeakPolarHBondContact CA-O 3.47Å
1016	D	49.3	Very low	41	Very low	65 Å²	65	94 Å²	94	35%	0.348	53%	0.526	S	S	.	.			trans	-96.8	-179.5	173.4	59.3	31.8	0	0	0	112.1	D1018 G1019 M1020 V1022	D1016-D1018 PolarHBondContact O-N 3.37Å; D1016-D1018 VanDerWaalsContact O-N 3.1Å; D1016-D1018 WeakPolarHBondContact OD1-CB 3.33Å; D1016-D1018 PolarHBondContact OD1-N 2.73Å; D1016-D1018 VanDerWaalsContact OD1-N 3.08Å; D1016-G1019 PolarHBondContact O-N 3.03Å; D1016-G1019 PolarHBondContact OD1-N 2.93Å; D1016-M1020 VanDerWaalsContact CG-O 3.3Å; D1016-M1020 PolarHBondContact N-O 3.41Å; D1016-M1020 WeakPolarHBondContact OD1-CA 2.99Å; D1016-M1020 WeakPolarHBondContact OD1-CB 3.36Å; D1016-M1020 PolarHBondContact OD1-N 2.98Å; D1016-V1022 HydrophobicContact CB-CG2 3.84Å
1017	D	39.6	Very low	42.3	Very low	103 Å²	103	94.6 Å²	94.6	55%	0.551	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.2	-177.7	-62.3	-55.2	0	0	0	114	L539 A546	L539-D1017 WeakPolarHBondContact CD1-O 3.38Å; A546-D1017 HydrophobicContact CB-CB 3.93Å
1018	D	47.8	Very low	43.3	Very low	66 Å²	66	93.1 Å²	93.1	35%	0.353	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-3	173.8	-82	-24.6	0	0	0	113.2	K503 D1016 M1020	K503-D1018 WeakPolarHBondContact CD-OD1 3.38Å; K503-D1018 WeakPolarHBondContact CE-OD1 3.32Å; K503-D1018 WeakPolarHBondContact CE-OD2 3.39Å; K503-D1018 IonicContact NZ-OD1 2.81Å; K503-D1018 PolarHBondContact NZ-OD1 2.73Å; K503-D1018 IonicContact NZ-OD2 3.22Å; K503-D1018 PolarHBondContact NZ-OD2 2.96Å; D1016-D1018 PolarHBondContact O-N 3.37Å; D1016-D1018 VanDerWaalsContact O-N 3.1Å; D1016-D1018 WeakPolarHBondContact OD1-CB 3.33Å; D1016-D1018 PolarHBondContact OD1-N 2.73Å; D1016-D1018 VanDerWaalsContact OD1-N 3.08Å; D1018-M1020 HydrophobicContact CB-CB 4.44Å; D1018-M1020 HydrophobicContact CB-CG 4.14Å; D1018-M1020 PolarHBondContact O-N 3.32Å
1019	G	47.6	Very low	44.5	Very low	31 Å²	31	91.6 Å²	91.6	32%	0.32	49%	0.491	S	S	.	.	S	Bend	trans	73.8	14.2	-170.5	0	0	0	0	0	113.5	L37 D1016	L37-G1019 WeakPolarHBondContact CD2-O 3.34Å; D1016-G1019 PolarHBondContact O-N 3.03Å; D1016-G1019 PolarHBondContact OD1-N 2.93Å
1020	M	45.3	Very low	46	Very low	50 Å²	50	91 Å²	91	25%	0.246	48%	0.48	C	S	.	.			trans	-94	161.1	177.7	-70.4	-81.7	-74.1	0	0	110.5	R59 L1015 D1016 D1018 V1022	R59-M1020 PolarHBondContact NH1-SD 2.9Å; L1015-M1020 CarbonylContact C-O 3.51Å; L1015-M1020 WeakPolarHBondContact CA-O 3.47Å; D1016-M1020 VanDerWaalsContact CG-O 3.3Å; D1016-M1020 PolarHBondContact N-O 3.41Å; D1016-M1020 WeakPolarHBondContact OD1-CA 2.99Å; D1016-M1020 WeakPolarHBondContact OD1-CB 3.36Å; D1016-M1020 PolarHBondContact OD1-N 2.98Å; D1018-M1020 HydrophobicContact CB-CB 4.44Å; D1018-M1020 HydrophobicContact CB-CG 4.14Å; D1018-M1020 PolarHBondContact O-N 3.32Å; M1020-V1022 PolarHBondContact O-N 3.22Å
1021	S	43.7	Very low	47	Very low	42 Å²	42	89.3 Å²	89.3	29%	0.294	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-74.3	124.2	179.4	54.6	0	0	0	0	112.9	L35 Y1023	L35-S1021 VanDerWaalsContact CB-CB 3.46Å; S1021-Y1023 PolarHBondContact O-N 2.68Å
1022	V	46.1	Very low	48.2	Very low	33 Å²	33	89.6 Å²	89.6	20%	0.2	45%	0.452	C	S	.	.			trans	-64.6	100	166.2	175.9	0	0	0	0	109.4	H1014 D1016 M1020	H1014-V1022 PolarHBondContact O-N 3.46Å; D1016-V1022 HydrophobicContact CB-CG2 3.84Å; M1020-V1022 PolarHBondContact O-N 3.22Å
1023	Y	43.2	Very low	49.5	Very low	176 Å²	176	91.5 Å²	91.5	69%	0.69	47%	0.466	S	S	*	.			trans	-77.9	125.5	167.2	-160.1	-99.7	0	0	0	109.9	S1021 D1025	S1021-Y1023 PolarHBondContact O-N 2.68Å; Y1023-D1025 HydrophobicContact CD1-CB 4.19Å; Y1023-D1025 PolarHBondContact O-N 2.98Å
1024	T	42.7	Very low	51.5	Low	101 Å²	101	92.3 Å²	92.3	62%	0.62	46%	0.461	S	S	*	.			trans	-81.5	68.7	175.6	51.9	0	0	0	0	110.9
1025	D	53.6	Low	52.8	Low	56 Å²	56	93.8 Å²	93.8	30%	0.299	47%	0.468	S	S	.	.			trans	-74.3	136.5	159.4	175.9	10.9	0	0	0	109.4	Y1023 I1027 Q1028 Q1029	Y1023-D1025 HydrophobicContact CD1-CB 4.19Å; Y1023-D1025 PolarHBondContact O-N 2.98Å; D1025-I1027 VanDerWaalsContact CG-N 3.34Å; D1025-I1027 PolarHBondContact O-N 3.45Å; D1025-I1027 PolarHBondContact OD1-N 3.44Å; D1025-I1027 WeakPolarHBondContact OD2-CB 3.48Å; D1025-Q1028 HydrophobicContact CB-CB 4.2Å; D1025-Q1028 HydrophobicContact CB-CG 4.39Å; D1025-Q1028 CarbonylContact O-C 3.58Å; D1025-Q1028 PolarHBondContact O-N 3.19Å; D1025-Q1028 VanDerWaalsContact O-N 3.11Å; D1025-Q1029 WeakPolarHBondContact O-CB 3.23Å; D1025-Q1029 PolarHBondContact O-N 3.31Å
1026	T	55.1	Low	54.1	Low	105 Å²	105	93.4 Å²	93.4	64%	0.644	47%	0.473	S	S	*	.	H	α-helix	trans	-49.6	-35	167	52.5	0	0	0	0	114.1	R1030	T1026-R1030 VanDerWaalsContact O-CB 3.27Å; T1026-R1030 WeakPolarHBondContact O-CB 3.43Å; T1026-R1030 PolarHBondContact O-N 3.28Å
1027	I	55.4	Low	55.7	Low	108 Å²	108	91.9 Å²	91.9	55%	0.554	47%	0.472	S	S	*	.	H	α-helix	trans	-71.7	-44.7	176.3	-52.3	176.7	0	0	0	109.9	D1025 Q1029 R1030 L1031	D1025-I1027 VanDerWaalsContact CG-N 3.34Å; D1025-I1027 PolarHBondContact O-N 3.45Å; D1025-I1027 PolarHBondContact OD1-N 3.44Å; D1025-I1027 WeakPolarHBondContact OD2-CB 3.48Å; I1027-Q1029 VanDerWaalsContact C-N 3.33Å; I1027-Q1029 PolarHBondContact O-N 3.15Å; I1027-R1030 CarbonylContact O-C 3.58Å; I1027-R1030 PolarHBondContact O-N 2.88Å; I1027-L1031 HydrophobicContact CG2-CD1 4.21Å; I1027-L1031 WeakPolarHBondContact O-CB 3.3Å; I1027-L1031 WeakPolarHBondContact O-CG 3.43Å; I1027-L1031 PolarHBondContact O-N 2.99Å
1028	Q	54	Low	57.4	Low	93 Å²	93	92.5 Å²	92.5	44%	0.435	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-29.7	175	-77.5	-66.6	-8.5	0	0	113.9	D1025 R1032	D1025-Q1028 HydrophobicContact CB-CB 4.2Å; D1025-Q1028 HydrophobicContact CB-CG 4.39Å; D1025-Q1028 CarbonylContact O-C 3.58Å; D1025-Q1028 PolarHBondContact O-N 3.19Å; D1025-Q1028 VanDerWaalsContact O-N 3.11Å; Q1028-R1032 PolarHBondContact O-N 3.24Å; Q1028-R1032 VanDerWaalsContact O-N 3.12Å; Q1028-R1032 PolarHBondContact O-NE 2.82Å; Q1028-R1032 VanDerWaalsContact O-NE 3.17Å
1029	Q	54.8	Low	58.7	Low	126 Å²	126	94.3 Å²	94.3	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-71	-37.4	171.7	-164.6	172.7	27	0	0	110.9	D1025 I1027 Q1033	D1025-Q1029 WeakPolarHBondContact O-CB 3.23Å; D1025-Q1029 PolarHBondContact O-N 3.31Å; I1027-Q1029 VanDerWaalsContact C-N 3.33Å; I1027-Q1029 PolarHBondContact O-N 3.15Å; Q1029-Q1033 WeakPolarHBondContact O-CB 3.22Å; Q1029-Q1033 PolarHBondContact O-N 3.2Å
1030	R	62	Low	60.4	Low	175 Å²	175	99.2 Å²	99.2	66%	0.66	49%	0.493	S	S	*	.	H	α-helix	trans	-73.6	-36.6	175.4	-170.1	171	-175.4	156.5	-0.2	113	T1026 I1027 Q1033 I1034	T1026-R1030 VanDerWaalsContact O-CB 3.27Å; T1026-R1030 WeakPolarHBondContact O-CB 3.43Å; T1026-R1030 PolarHBondContact O-N 3.28Å; I1027-R1030 CarbonylContact O-C 3.58Å; I1027-R1030 PolarHBondContact O-N 2.88Å; R1030-Q1033 PolarHBondContact O-N 2.84Å; R1030-I1034 HydrophobicContact CG-CD1 4.19Å; R1030-I1034 VanDerWaalsContact O-CG1 3.29Å; R1030-I1034 WeakPolarHBondContact O-CG1 3.36Å; R1030-I1034 PolarHBondContact O-N 3.17Å
1031	L	52.8	Low	62.1	Low	74 Å²	74	102 Å²	102	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-60.5	-51.5	171.8	-82.4	165.6	0	0	0	110.3	I1027 Q1033 I1034 E1035	I1027-L1031 HydrophobicContact CG2-CD1 4.21Å; I1027-L1031 WeakPolarHBondContact O-CB 3.3Å; I1027-L1031 WeakPolarHBondContact O-CG 3.43Å; I1027-L1031 PolarHBondContact O-N 2.99Å; L1031-Q1033 PolarHBondContact O-N 3.38Å; L1031-I1034 CarbonylContact O-C 3.58Å; L1031-I1034 WeakPolarHBondContact O-CB 3.5Å; L1031-I1034 PolarHBondContact O-N 2.91Å; L1031-E1035 VanDerWaalsContact O-CB 3.31Å; L1031-E1035 WeakPolarHBondContact O-CB 3.48Å; L1031-E1035 PolarHBondContact O-N 2.99Å
1032	R	58.6	Low	64	Low	99 Å²	99	102.3 Å²	102.3	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-26.6	174.5	-76.9	178.8	-72	-168.4	-3.3	113.9	Q1028 S1036	Q1028-R1032 PolarHBondContact O-N 3.24Å; Q1028-R1032 VanDerWaalsContact O-N 3.12Å; Q1028-R1032 PolarHBondContact O-NE 2.82Å; Q1028-R1032 VanDerWaalsContact O-NE 3.17Å; R1032-S1036 WeakPolarHBondContact O-CB 3.44Å; R1032-S1036 PolarHBondContact O-N 3.36Å
1033	Q	65	Low	65.7	Low	147 Å²	147	105.7 Å²	105.7	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-75.7	-33.4	172.9	-165.8	169.6	35.6	0	0	112.7	Q1029 R1030 L1031 G1037	Q1029-Q1033 WeakPolarHBondContact O-CB 3.22Å; Q1029-Q1033 PolarHBondContact O-N 3.2Å; R1030-Q1033 PolarHBondContact O-N 2.84Å; L1031-Q1033 PolarHBondContact O-N 3.38Å; Q1033-G1037 PolarHBondContact O-N 2.9Å; Q1033-G1037 VanDerWaalsContact O-N 3.14Å
1034	I	77.5	Confident	67.8	Low	108 Å²	108	100.3 Å²	100.3	55%	0.554	51%	0.505	S	S	*	.	H	α-helix	trans	-70.6	-48.7	171.4	-69.8	161.7	0	0	0	109.9	R1030 L1031 G1037 H1038	R1030-I1034 HydrophobicContact CG-CD1 4.19Å; R1030-I1034 VanDerWaalsContact O-CG1 3.29Å; R1030-I1034 WeakPolarHBondContact O-CG1 3.36Å; R1030-I1034 PolarHBondContact O-N 3.17Å; L1031-I1034 CarbonylContact O-C 3.58Å; L1031-I1034 WeakPolarHBondContact O-CB 3.5Å; L1031-I1034 PolarHBondContact O-N 2.91Å; I1034-G1037 CarbonylContact O-C 3.57Å; I1034-G1037 WeakPolarHBondContact O-CA 3.46Å; I1034-G1037 PolarHBondContact O-N 3.1Å; I1034-G1037 VanDerWaalsContact O-N 3.09Å; I1034-H1038 WeakPolarHBondContact O-CB 3.29Å; I1034-H1038 PolarHBondContact O-N 3.19Å
1035	E	70.3	Confident	69.6	Low	128 Å²	128	100 Å²	100	60%	0.598	50%	0.498	S	S	*	.	H	α-helix	trans	-58.4	-48	176	-179.1	-176.8	-153.9	0	0	111.5	L1031 G1037 H1038 Q1039	L1031-E1035 VanDerWaalsContact O-CB 3.31Å; L1031-E1035 WeakPolarHBondContact O-CB 3.48Å; L1031-E1035 PolarHBondContact O-N 2.99Å; E1035-G1037 VanDerWaalsContact C-N 3.26Å; E1035-G1037 PolarHBondContact O-N 3.31Å; E1035-H1038 PolarHBondContact O-N 3.41Å; E1035-Q1039 WeakPolarHBondContact O-CB 3.24Å; E1035-Q1039 PolarHBondContact O-N 2.85Å
1036	S	71.3	Confident	70.7	Confident	75 Å²	75	101.9 Å²	101.9	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-34	173.9	-179.4	0	0	0	0	112.5	R1032 Q1040	R1032-S1036 WeakPolarHBondContact O-CB 3.44Å; R1032-S1036 PolarHBondContact O-N 3.36Å; S1036-Q1040 VanDerWaalsContact O-CB 3.31Å; S1036-Q1040 WeakPolarHBondContact O-CB 3.2Å; S1036-Q1040 PolarHBondContact O-N 2.98Å; S1036-Q1040 VanDerWaalsContact O-N 3.09Å
1037	G	83.1	Confident	72.1	Confident	33 Å²	33	102.4 Å²	102.4	34%	0.34	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-47.6	173.7	0	0	0	0	0	111.7	Q1033 I1034 E1035 Q1039 Q1040 E1041	Q1033-G1037 PolarHBondContact O-N 2.9Å; Q1033-G1037 VanDerWaalsContact O-N 3.14Å; I1034-G1037 CarbonylContact O-C 3.57Å; I1034-G1037 WeakPolarHBondContact O-CA 3.46Å; I1034-G1037 PolarHBondContact O-N 3.1Å; I1034-G1037 VanDerWaalsContact O-N 3.09Å; E1035-G1037 VanDerWaalsContact C-N 3.26Å; E1035-G1037 PolarHBondContact O-N 3.31Å; G1037-Q1039 PolarHBondContact O-N 3.28Å; G1037-Q1040 WeakPolarHBondContact O-CB 2.96Å; G1037-Q1040 PolarHBondContact O-N 2.92Å; G1037-E1041 WeakPolarHBondContact O-CB 3.48Å; G1037-E1041 PolarHBondContact O-N 3.49Å
1038	H	76.1	Confident	73.5	Confident	116 Å²	116	102.3 Å²	102.3	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-69.3	-34.1	-179.4	-147.6	51.3	0	0	0	112	I1034 E1035 E1041 V1042	I1034-H1038 WeakPolarHBondContact O-CB 3.29Å; I1034-H1038 PolarHBondContact O-N 3.19Å; E1035-H1038 PolarHBondContact O-N 3.41Å; H1038-E1041 IonicContact CE1-OE2 2.72Å; H1038-E1041 IonicContact ND1-OE2 3.54Å; H1038-E1041 PolarHBondContact ND1-OE2 3.09Å; H1038-E1041 WeakPolarHBondContact O-CB 3.38Å; H1038-E1041 PolarHBondContact O-N 3.29Å; H1038-V1042 WeakPolarHBondContact O-CB 3.44Å; H1038-V1042 VanDerWaalsContact O-CG2 3.27Å; H1038-V1042 WeakPolarHBondContact O-CG2 2.97Å; H1038-V1042 PolarHBondContact O-N 2.94Å
1039	Q	75.1	Confident	75.1	Confident	104 Å²	104	102.6 Å²	102.6	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-67	-38.6	171.9	-172.6	67.4	0.9	0	0	111.5	E1035 G1037 E1041 E1043	E1035-Q1039 WeakPolarHBondContact O-CB 3.24Å; E1035-Q1039 PolarHBondContact O-N 2.85Å; G1037-Q1039 PolarHBondContact O-N 3.28Å; Q1039-E1041 VanDerWaalsContact C-N 3.35Å; Q1039-E1043 WeakPolarHBondContact O-CB 3.37Å; Q1039-E1043 PolarHBondContact O-N 2.74Å
1040	Q	82.3	Confident	76.3	Confident	134 Å²	134	103.3 Å²	103.3	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-68.8	-33.6	173.4	-173.1	173.6	21.7	0	0	112.1	S1036 G1037 T1044	S1036-Q1040 VanDerWaalsContact O-CB 3.31Å; S1036-Q1040 WeakPolarHBondContact O-CB 3.2Å; S1036-Q1040 PolarHBondContact O-N 2.98Å; S1036-Q1040 VanDerWaalsContact O-N 3.09Å; G1037-Q1040 WeakPolarHBondContact O-CB 2.96Å; G1037-Q1040 PolarHBondContact O-N 2.92Å; Q1040-T1044 VanDerWaalsContact O-CB 3.28Å; Q1040-T1044 WeakPolarHBondContact O-CB 3.22Å; Q1040-T1044 PolarHBondContact O-N 2.95Å; Q1040-T1044 PolarHBondContact O-OG1 3.32Å
1041	E	81.7	Confident	77.4	Confident	109 Å²	109	99.6 Å²	99.6	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-69.5	-47.3	173.9	-170.4	165.8	-127.5	0	0	111.2	G1037 H1038 Q1039 E1043 T1044 L1045	G1037-E1041 WeakPolarHBondContact O-CB 3.48Å; G1037-E1041 PolarHBondContact O-N 3.49Å; H1038-E1041 IonicContact CE1-OE2 2.72Å; H1038-E1041 IonicContact ND1-OE2 3.54Å; H1038-E1041 PolarHBondContact ND1-OE2 3.09Å; H1038-E1041 WeakPolarHBondContact O-CB 3.38Å; H1038-E1041 PolarHBondContact O-N 3.29Å; Q1039-E1041 VanDerWaalsContact C-N 3.35Å; E1041-E1043 PolarHBondContact O-N 2.89Å; E1041-T1044 CarbonylContact O-C 3.53Å; E1041-T1044 WeakPolarHBondContact O-CB 3.49Å; E1041-T1044 PolarHBondContact O-N 3.04Å; E1041-T1044 VanDerWaalsContact O-N 3.17Å; E1041-L1045 HydrophobicContact CG-CD1 4.46Å; E1041-L1045 WeakPolarHBondContact O-CB 3.37Å; E1041-L1045 WeakPolarHBondContact O-CG 3.2Å; E1041-L1045 PolarHBondContact O-N 3.14Å
1042	V	83.7	Confident	78.8	Confident	49 Å²	49	101.4 Å²	101.4	30%	0.297	51%	0.505	S	S	.	.	H	α-helix	trans	-59.8	-41.5	171.7	167.1	0	0	0	0	111.8	H1038 T1044 L1045 K1046	H1038-V1042 WeakPolarHBondContact O-CB 3.44Å; H1038-V1042 VanDerWaalsContact O-CG2 3.27Å; H1038-V1042 WeakPolarHBondContact O-CG2 2.97Å; H1038-V1042 PolarHBondContact O-N 2.94Å; V1042-T1044 VanDerWaalsContact C-N 3.32Å; V1042-L1045 PolarHBondContact O-N 2.95Å; V1042-K1046 HydrophobicContact CG1-CD 4.36Å; V1042-K1046 WeakPolarHBondContact O-CB 3.46Å; V1042-K1046 WeakPolarHBondContact O-CG 3.45Å; V1042-K1046 PolarHBondContact O-N 3.2Å
1043	E	81.8	Confident	79.4	Confident	103 Å²	103	102.8 Å²	102.8	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-69.1	-33.7	177.2	-159.7	-171.6	-118.1	0	0	111.6	Q1039 E1041 K1046 K1047	Q1039-E1043 WeakPolarHBondContact O-CB 3.37Å; Q1039-E1043 PolarHBondContact O-N 2.74Å; E1041-E1043 PolarHBondContact O-N 2.89Å; E1043-K1046 PolarHBondContact O-N 2.88Å; E1043-K1047 HydrophobicContact CG-CD 4.49Å; E1043-K1047 WeakPolarHBondContact O-CB 3.07Å; E1043-K1047 WeakPolarHBondContact O-CD 3.3Å; E1043-K1047 VanDerWaalsContact O-CG 3.26Å; E1043-K1047 WeakPolarHBondContact O-CG 3.47Å; E1043-K1047 PolarHBondContact O-N 2.56Å; E1043-K1047 IonicContact OE2-NZ 2.77Å; E1043-K1047 PolarHBondContact OE2-NZ 2.64Å
1044	T	88.3	Confident	79.7	Confident	64 Å²	64	99 Å²	99	39%	0.393	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-43.4	173.1	-63.3	0	0	0	0	111.2	Q1040 E1041 V1042 K1047 Q1048	Q1040-T1044 VanDerWaalsContact O-CB 3.28Å; Q1040-T1044 WeakPolarHBondContact O-CB 3.22Å; Q1040-T1044 PolarHBondContact O-N 2.95Å; Q1040-T1044 PolarHBondContact O-OG1 3.32Å; E1041-T1044 CarbonylContact O-C 3.53Å; E1041-T1044 WeakPolarHBondContact O-CB 3.49Å; E1041-T1044 PolarHBondContact O-N 3.04Å; E1041-T1044 VanDerWaalsContact O-N 3.17Å; V1042-T1044 VanDerWaalsContact C-N 3.32Å; T1044-K1047 PolarHBondContact O-N 3.23Å; T1044-Q1048 WeakPolarHBondContact O-CG 3.22Å; T1044-Q1048 PolarHBondContact O-N 3Å
1045	L	78.8	Confident	79.7	Confident	93 Å²	93	100.4 Å²	100.4	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-42.1	173.7	-72.2	167.2	0	0	0	111.4	E1041 V1042 K1047 Q1048 V1049	E1041-L1045 HydrophobicContact CG-CD1 4.46Å; E1041-L1045 WeakPolarHBondContact O-CB 3.37Å; E1041-L1045 WeakPolarHBondContact O-CG 3.2Å; E1041-L1045 PolarHBondContact O-N 3.14Å; V1042-L1045 PolarHBondContact O-N 2.95Å; L1045-K1047 VanDerWaalsContact C-N 3.35Å; L1045-K1047 PolarHBondContact O-N 2.95Å; L1045-Q1048 PolarHBondContact O-N 3.35Å; L1045-V1049 WeakPolarHBondContact O-CG2 3.44Å; L1045-V1049 PolarHBondContact O-N 3.22Å
1046	K	76.6	Confident	79.9	Confident	97 Å²	97	99.7 Å²	99.7	42%	0.422	50%	0.502	S	S	.	.	H	α-helix	trans	-59.8	-43.6	172.8	-77.4	-175.8	175.3	-166.4	0	111.6	L550 V1042 E1043 V1049 Q1050	L550-K1046 PolarHBondContact O-NZ 3.26Å; L550-K1046 VanDerWaalsContact O-NZ 3.12Å; V1042-K1046 HydrophobicContact CG1-CD 4.36Å; V1042-K1046 WeakPolarHBondContact O-CB 3.46Å; V1042-K1046 WeakPolarHBondContact O-CG 3.45Å; V1042-K1046 PolarHBondContact O-N 3.2Å; E1043-K1046 PolarHBondContact O-N 2.88Å; K1046-V1049 PolarHBondContact O-N 3.27Å; K1046-Q1050 WeakPolarHBondContact O-CB 3.31Å; K1046-Q1050 PolarHBondContact O-N 3.47Å
1047	K	85.5	Confident	79.8	Confident	116 Å²	116	101 Å²	101	50%	0.504	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-41.1	173.8	-74.1	162.1	-179.2	166.6	0	111.9	E1043 T1044 L1045 Q1050 E1051	E1043-K1047 HydrophobicContact CG-CD 4.49Å; E1043-K1047 WeakPolarHBondContact O-CB 3.07Å; E1043-K1047 WeakPolarHBondContact O-CD 3.3Å; E1043-K1047 VanDerWaalsContact O-CG 3.26Å; E1043-K1047 WeakPolarHBondContact O-CG 3.47Å; E1043-K1047 PolarHBondContact O-N 2.56Å; E1043-K1047 IonicContact OE2-NZ 2.77Å; E1043-K1047 PolarHBondContact OE2-NZ 2.64Å; T1044-K1047 PolarHBondContact O-N 3.23Å; L1045-K1047 VanDerWaalsContact C-N 3.35Å; L1045-K1047 PolarHBondContact O-N 2.95Å; K1047-Q1050 PolarHBondContact O-N 2.88Å; K1047-E1051 VanDerWaalsContact O-CB 3.24Å; K1047-E1051 WeakPolarHBondContact O-CB 3.46Å; K1047-E1051 PolarHBondContact O-N 3.21Å
1048	Q	84.3	Confident	79.1	Confident	105 Å²	105	102 Å²	102	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-40.9	175.1	-72.9	174.4	6.8	0	0	112.8	T1044 L1045 E1051 L1052	T1044-Q1048 WeakPolarHBondContact O-CG 3.22Å; T1044-Q1048 PolarHBondContact O-N 3Å; L1045-Q1048 PolarHBondContact O-N 3.35Å; Q1048-E1051 PolarHBondContact O-N 3.11Å; Q1048-L1052 WeakPolarHBondContact O-CB 3.24Å; Q1048-L1052 VanDerWaalsContact O-CG 3.24Å; Q1048-L1052 WeakPolarHBondContact O-CG 3.46Å; Q1048-L1052 PolarHBondContact O-N 2.84Å
1049	V	87.3	Confident	78.5	Confident	99 Å²	99	102.4 Å²	102.4	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-65.2	-40.3	174.9	170.3	0	0	0	0	111.1	L1045 K1046 L1052 K1053	L1045-V1049 WeakPolarHBondContact O-CG2 3.44Å; L1045-V1049 PolarHBondContact O-N 3.22Å; K1046-V1049 PolarHBondContact O-N 3.27Å; V1049-L1052 PolarHBondContact O-N 2.86Å; V1049-K1053 WeakPolarHBondContact O-CB 3.46Å; V1049-K1053 PolarHBondContact O-N 2.95Å
1050	Q	79.6	Confident	77.6	Confident	142 Å²	142	106.5 Å²	106.5	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-68.9	-39.6	177	-168.4	171.5	6.6	0	0	112.3	K1046 K1047 K1053 S1054	K1046-Q1050 WeakPolarHBondContact O-CB 3.31Å; K1046-Q1050 PolarHBondContact O-N 3.47Å; K1047-Q1050 PolarHBondContact O-N 2.88Å; Q1050-K1053 PolarHBondContact O-N 3.22Å; Q1050-S1054 VanDerWaalsContact O-CB 3.3Å; Q1050-S1054 WeakPolarHBondContact O-CB 3.38Å; Q1050-S1054 PolarHBondContact O-N 2.94Å
1051	E	86.2	Confident	76.3	Confident	97 Å²	97	106.2 Å²	106.2	45%	0.453	52%	0.518	S	S	.	.	H	α-helix	trans	-60.7	-46.9	170.9	178.7	74.1	-155.6	0	0	111.2	K1047 Q1048 S1054 R1055	K1047-E1051 VanDerWaalsContact O-CB 3.24Å; K1047-E1051 WeakPolarHBondContact O-CB 3.46Å; K1047-E1051 PolarHBondContact O-N 3.21Å; Q1048-E1051 PolarHBondContact O-N 3.11Å; E1051-S1054 PolarHBondContact O-N 2.68Å; E1051-R1055 WeakPolarHBondContact O-CB 3.37Å; E1051-R1055 VanDerWaalsContact O-CG 3.24Å; E1051-R1055 WeakPolarHBondContact O-CG 3.49Å; E1051-R1055 PolarHBondContact O-N 3.12Å; E1051-R1055 IonicContact OE1-CZ 2.8Å; E1051-R1055 IonicContact OE1-NE 3.34Å; E1051-R1055 PolarHBondContact OE1-NE 2.7Å; E1051-R1055 IonicContact OE1-NH2 3.56Å; E1051-R1055 PolarHBondContact OE1-NH2 3.24Å
1052	L	81.8	Confident	74.9	Confident	112 Å²	112	105.7 Å²	105.7	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-41.7	177.1	-75.6	168.2	0	0	0	112.2	Q1048 V1049 R1055 L1056	Q1048-L1052 WeakPolarHBondContact O-CB 3.24Å; Q1048-L1052 VanDerWaalsContact O-CG 3.24Å; Q1048-L1052 WeakPolarHBondContact O-CG 3.46Å; Q1048-L1052 PolarHBondContact O-N 2.84Å; V1049-L1052 PolarHBondContact O-N 2.86Å; L1052-R1055 PolarHBondContact O-N 2.96Å; L1052-L1056 WeakPolarHBondContact O-CB 3.44Å; L1052-L1056 PolarHBondContact O-N 3.07Å
1053	K	71.6	Confident	72.9	Confident	128 Å²	128	108.1 Å²	108.1	56%	0.557	54%	0.541	S	S	*	.	H	α-helix	trans	-63.4	-46.7	175.4	-178.6	170.5	173.8	174.5	0	111.5	V1049 Q1050 R1055 L1056 E1057	V1049-K1053 WeakPolarHBondContact O-CB 3.46Å; V1049-K1053 PolarHBondContact O-N 2.95Å; Q1050-K1053 PolarHBondContact O-N 3.22Å; K1053-R1055 VanDerWaalsContact C-N 3.32Å; K1053-R1055 PolarHBondContact O-N 3.44Å; K1053-L1056 WeakPolarHBondContact O-CB 3.49Å; K1053-L1056 PolarHBondContact O-N 3.35Å; K1053-L1056 VanDerWaalsContact O-N 3.14Å; K1053-E1057 WeakPolarHBondContact CE-OE1 3.35Å; K1053-E1057 WeakPolarHBondContact CG-OE1 3.23Å; K1053-E1057 IonicContact NZ-OE1 3.74Å; K1053-E1057 WeakPolarHBondContact O-CG 3.36Å; K1053-E1057 PolarHBondContact O-N 2.77Å
1054	S	71.9	Confident	71.2	Confident	67 Å²	67	107.4 Å²	107.4	47%	0.469	55%	0.548	S	S	.	.	H	α-helix	trans	-60.1	-39.7	174.9	-179.4	0	0	0	0	112.3	Q1050 E1051 S1058	Q1050-S1054 VanDerWaalsContact O-CB 3.3Å; Q1050-S1054 WeakPolarHBondContact O-CB 3.38Å; Q1050-S1054 PolarHBondContact O-N 2.94Å; E1051-S1054 PolarHBondContact O-N 2.68Å; S1054-S1058 WeakPolarHBondContact O-CB 3.31Å; S1054-S1058 PolarHBondContact O-N 3.41Å; S1054-S1058 PolarHBondContact O-OG 2.81Å
1055	R	77.6	Confident	69	Low	138 Å²	138	111.2 Å²	111.2	52%	0.521	57%	0.565	S	S	.	*	H	α-helix	trans	-65.9	-37.8	173.5	-74.1	173.2	-174	-157.7	5.1	112.9	E1051 L1052 K1053 S1058 Q1059	E1051-R1055 WeakPolarHBondContact O-CB 3.37Å; E1051-R1055 VanDerWaalsContact O-CG 3.24Å; E1051-R1055 WeakPolarHBondContact O-CG 3.49Å; E1051-R1055 PolarHBondContact O-N 3.12Å; E1051-R1055 IonicContact OE1-CZ 2.8Å; E1051-R1055 IonicContact OE1-NE 3.34Å; E1051-R1055 PolarHBondContact OE1-NE 2.7Å; E1051-R1055 IonicContact OE1-NH2 3.56Å; E1051-R1055 PolarHBondContact OE1-NH2 3.24Å; L1052-R1055 PolarHBondContact O-N 2.96Å; K1053-R1055 VanDerWaalsContact C-N 3.32Å; K1053-R1055 PolarHBondContact O-N 3.44Å; R1055-S1058 WeakPolarHBondContact CA-OG 3.3Å; R1055-S1058 PolarHBondContact O-OG 3.27Å; R1055-Q1059 VanDerWaalsContact O-CB 3.32Å; R1055-Q1059 WeakPolarHBondContact O-CB 3.43Å; R1055-Q1059 VanDerWaalsContact O-CG 3.26Å; R1055-Q1059 WeakPolarHBondContact O-CG 3.35Å; R1055-Q1059 PolarHBondContact O-N 3.37Å
1056	L	72.6	Confident	66.9	Low	112 Å²	112	114.8 Å²	114.8	59%	0.586	58%	0.579	S	S	*	*	H	α-helix	trans	-68	-45.4	176.3	-172.8	66.3	0	0	0	111.4	L1052 K1053 Q1059 Y1060	L1052-L1056 WeakPolarHBondContact O-CB 3.44Å; L1052-L1056 PolarHBondContact O-N 3.07Å; K1053-L1056 WeakPolarHBondContact O-CB 3.49Å; K1053-L1056 PolarHBondContact O-N 3.35Å; K1053-L1056 VanDerWaalsContact O-N 3.14Å; L1056-Q1059 PolarHBondContact O-N 2.95Å; L1056-Y1060 PolarHBondContact O-N 2.71Å
1057	E	70.9	Confident	64.5	Low	103 Å²	103	119.8 Å²	119.8	48%	0.481	60%	0.601	S	S	.	*	H	α-helix	trans	-63.8	-42.1	177.2	-71.1	168.1	175.3	0	0	111.7	K1053 Y1060 L1061	K1053-E1057 WeakPolarHBondContact CE-OE1 3.35Å; K1053-E1057 WeakPolarHBondContact CG-OE1 3.23Å; K1053-E1057 IonicContact NZ-OE1 3.74Å; K1053-E1057 WeakPolarHBondContact O-CG 3.36Å; K1053-E1057 PolarHBondContact O-N 2.77Å; E1057-Y1060 WeakPolarHBondContact O-CB 3.07Å; E1057-Y1060 PolarHBondContact O-N 3.44Å; E1057-L1061 WeakPolarHBondContact O-CG 3.49Å; E1057-L1061 PolarHBondContact O-N 2.84Å
1058	S	67.4	Low	62	Low	53 Å²	53	122.2 Å²	122.2	37%	0.371	62%	0.619	S	S	.	*	H	α-helix	trans	-73.1	-29.1	175.1	54.8	0	0	0	0	113.5	S1054 R1055 Y1060 L1061 T1062	S1054-S1058 WeakPolarHBondContact O-CB 3.31Å; S1054-S1058 PolarHBondContact O-N 3.41Å; S1054-S1058 PolarHBondContact O-OG 2.81Å; R1055-S1058 WeakPolarHBondContact CA-OG 3.3Å; R1055-S1058 PolarHBondContact O-OG 3.27Å; S1058-Y1060 VanDerWaalsContact C-N 3.34Å; S1058-L1061 PolarHBondContact O-N 3.26Å; S1058-T1062 WeakPolarHBondContact O-CB 3.18Å; S1058-T1062 PolarHBondContact O-N 2.97Å; S1058-T1062 PolarHBondContact O-OG1 3.23Å
1059	Q	62.9	Low	59.5	Low	125 Å²	125	120.2 Å²	120.2	58%	0.584	63%	0.627	S	S	*	*	H	α-helix	trans	-64.6	-38.8	167.2	-82.2	178.6	-4.7	0	0	111.7	R1055 L1056 T1062 S1063	R1055-Q1059 VanDerWaalsContact O-CB 3.32Å; R1055-Q1059 WeakPolarHBondContact O-CB 3.43Å; R1055-Q1059 VanDerWaalsContact O-CG 3.26Å; R1055-Q1059 WeakPolarHBondContact O-CG 3.35Å; R1055-Q1059 PolarHBondContact O-N 3.37Å; L1056-Q1059 PolarHBondContact O-N 2.95Å; Q1059-T1062 PolarHBondContact O-N 3.48Å; Q1059-S1063 WeakPolarHBondContact O-CB 2.82Å; Q1059-S1063 PolarHBondContact O-N 3.1Å; Q1059-S1063 PolarHBondContact O-OG 2.71Å
1060	Y	56.6	Low	56.9	Low	191 Å²	191	122 Å²	122	75%	0.749	63%	0.633	S	S	*	*	H	α-helix	trans	-61.3	-46.3	174.6	-135.3	-93.2	0	0	0	111.4	L1056 E1057 S1058 T1062	L1056-Y1060 PolarHBondContact O-N 2.71Å; E1057-Y1060 WeakPolarHBondContact O-CB 3.07Å; E1057-Y1060 PolarHBondContact O-N 3.44Å; S1058-Y1060 VanDerWaalsContact C-N 3.34Å; Y1060-T1062 PolarHBondContact O-N 3.49Å
1061	L	55	Low	54.5	Low	128 Å²	128	124.2 Å²	124.2	67%	0.67	64%	0.641	S	S	*	*	H	α-helix	trans	-69.4	-27.4	176.6	-70.2	164.4	0	0	0	114.1	E1057 S1058 S1064	E1057-L1061 WeakPolarHBondContact O-CG 3.49Å; E1057-L1061 PolarHBondContact O-N 2.84Å; S1058-L1061 PolarHBondContact O-N 3.26Å; L1061-S1064 PolarHBondContact O-OG 3.01Å
1062	T	51.6	Low	51.9	Low	97 Å²	97	122.7 Å²	122.7	60%	0.595	65%	0.651	S	S	*	*	H	α-helix	trans	-82.3	-32.2	177.7	-52.5	0	0	0	0	111.9	S1058 Q1059 Y1060 S1064 L1065	S1058-T1062 WeakPolarHBondContact O-CB 3.18Å; S1058-T1062 PolarHBondContact O-N 2.97Å; S1058-T1062 PolarHBondContact O-OG1 3.23Å; Q1059-T1062 PolarHBondContact O-N 3.48Å; Y1060-T1062 PolarHBondContact O-N 3.49Å; T1062-S1064 PolarHBondContact O-N 3.06Å; T1062-L1065 PolarHBondContact O-N 2.86Å; T1062-L1065 VanDerWaalsContact O-N 3.12Å
1063	S	43.6	Very low	49.6	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	67%	0.665	S	S	*	*	H	α-helix	trans	-63.8	-23	179	-60.1	0	0	0	0	113	Q1059 L1065	Q1059-S1063 WeakPolarHBondContact O-CB 2.82Å; Q1059-S1063 PolarHBondContact O-N 3.1Å; Q1059-S1063 PolarHBondContact O-OG 2.71Å; S1063-L1065 VanDerWaalsContact C-N 3.3Å; S1063-L1065 PolarHBondContact O-N 3.43Å
1064	S	44.6	Very low	47.7	Very low	88 Å²	88	127.3 Å²	127.3	62%	0.615	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	3	174.4	35.1	0	0	0	0	115.7	L1061 T1062	L1061-S1064 PolarHBondContact O-OG 3.01Å; T1062-S1064 PolarHBondContact O-N 3.06Å
1065	L	43	Very low	46	Very low	143 Å²	143	129.7 Å²	129.7	75%	0.749	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	14	-172.5	-78.1	173.7	0	0	0	116.1	T1062 S1063	T1062-L1065 PolarHBondContact O-N 2.86Å; T1062-L1065 VanDerWaalsContact O-N 3.12Å; S1063-L1065 VanDerWaalsContact C-N 3.3Å; S1063-L1065 PolarHBondContact O-N 3.43Å
1066	H	34.2	Very low	43.7	Very low	169 Å²	169	129.5 Å²	129.5	78%	0.782	70%	0.703	S	S	*	*			trans	-147.2	69.9	178.9	-122.6	-66.2	0	0	0	115.6
1067	F	27.4	Very low	41.7	Very low	202 Å²	202	128.8 Å²	128.8	89%	0.886	71%	0.707	S	S	*	*			trans	-158.6	70.5	144.1	-125.9	-77.9	0	0	0	115
1068	N	31.3	Very low	39.9	Very low	166 Å²	166	131.4 Å²	131.4	89%	0.888	72%	0.723	S	S	*	*			trans	-116.8	138.5	139.7	-85.6	-21.2	0	0	0	105
1069	G	32.6	Very low	39.9	Very low	63 Å²	63	134 Å²	134	65%	0.649	74%	0.739	S	S	*	*			cis	145.7	147.9	4.9	0	0	0	0	0	107.6
1070	D	32.4	Very low	38.2	Very low	136 Å²	136	135.3 Å²	135.3	73%	0.727	75%	0.749	S	S	*	*			trans	-154.3	145	173.6	-154.1	0.3	0	0	0	113.1
1071	F	29.5	Very low	37.1	Very low	190 Å²	190	130.9 Å²	130.9	83%	0.833	75%	0.746	S	S	*	*			trans	57.1	140.9	-173.3	-57.7	-88.4	0	0	0	116.6
1072	G	31.5	Very low	35.9	Very low	65 Å²	65	133.4 Å²	133.4	67%	0.67	76%	0.755	S	S	*	*			cis	160.2	135.7	-7	0	0	0	0	0	111.5
1073	D	32.6	Very low	34.7	Very low	164 Å²	164	134.4 Å²	134.4	88%	0.877	77%	0.765	S	S	*	*			trans	60.6	142.6	174	-61	-15.6	0	0	0	118
1074	E	33.2	Very low	34	Very low	173 Å²	173	137 Å²	137	81%	0.808	77%	0.772	S	S	*	*			cis	-149.2	145	-11.8	-146.4	-175.5	171.6	0	0	111.5
1075	V	35.7	Very low	33.3	Very low	117 Å²	117	141.3 Å²	141.3	71%	0.709	79%	0.787	S	S	*	*			trans	7.1	125.8	152.9	-176.3	0	0	0	0	117.4
1076	T	29.1	Very low	32.6	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	78%	0.784	S	S	*	*				-167.2	162.7	67.4	-29.6	0	0	0	0	113.1
1077	S	31.6	Very low	32.4	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	78%	0.781	S	S	*	*			trans	-98.5	152.5	171.1	53.3	0	0	0	0	114.2
1078	I	32.5	Very low	32.5	Very low	159 Å²	159	137.4 Å²	137.4	82%	0.815	78%	0.776	S	S	*	*				-178.2	145.2	122.6	-98.4	166.7	0	0	0	110.9
1079	P	66.6	Low	32.5	Very low	108 Å²	108	134.6 Å²	134.6	70%	0.701	77%	0.769	S	S	*	*			trans	-101.4	165.9	176.5	39.6	-34.2	0	0	0	113.1
1080	D	28.1	Very low	32.3	Very low	152 Å²	152	139.9 Å²	139.9	81%	0.813	78%	0.781	S	S	*	*			trans	-163.6	140.9	138	-118.2	-36.9	0	0	0	116.9
1081	S	32.3	Very low	32	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	79%	0.787	S	S	*	*			trans	1.5	158	144.8	-46.3	0	0	0	0	125.4
1082	E	30.2	Very low	32.1	Very low	182 Å²	182	141.2 Å²	141.2	85%	0.85	79%	0.789	S	S	*	*			trans	91.9	138.8	147.5	-59.4	-141.1	137.7	0	0	124.1
1083	S	26.6	Very low	31.8	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	80%	0.798	S	S	*	*			trans	100.7	145.6	143.7	78.9	0	0	0	0	120.9
1084	N	30	Very low	31.4	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	79%	0.792	S	S	*	*			trans	-93.1	151.4	-175	-41.6	-94.7	0	0	0	111.4
1085	L	29.7	Very low	31.1	Very low	178 Å²	178	139.6 Å²	139.6	93%	0.932	79%	0.792	S	S	*	*				-162.3	167.8	113.6	-151	51	0	0	0	112.5
1086	D	27.1	Very low	30.8	Very low	128 Å²	128	142.7 Å²	142.7	68%	0.684	80%	0.799	S	S	*	*			trans	-88.2	159.1	-154.5	-142.5	-35.2	0	0	0	116.1
1087	Q	30.2	Very low	30.9	Very low	154 Å²	154	142.4 Å²	142.4	72%	0.72	79%	0.791	S	S	*	*			trans	76.2	74.1	134.6	-136.7	153.4	105	0	0	123.1
1088	N	30.1	Very low	30.6	Very low	149 Å²	149	147 Å²	147	80%	0.797	80%	0.8	S	S	*	*				-167.6	158.5	105.4	-131	-50.9	0	0	0	113.8
1089	C	30.8	Very low	30.3	Very low	108 Å²	108	143.8 Å²	143.8	73%	0.73	79%	0.791	S	S	*	*			trans	54.8	88.2	167.3	-65.5	0	0	0	0	117.8
1090	L	27.9	Very low	28.4	Very low	173 Å²	173	147.9 Å²	147.9	91%	0.906	80%	0.801	S	S	*	*				-179.2	124.9	122.6	-98.8	168.8	0	0	0	111.3
1091	S	27.8	Very low	28.4	Very low	121 Å²	121	145.6 Å²	145.6	85%	0.846	80%	0.803	S	S	*	*			trans	-149.8	88.2	162.8	-175.3	0	0	0	0	109
1092	R	31.1	Very low	28.1	Very low	233 Å²	233	146.3 Å²	146.3	88%	0.879	81%	0.808	S	S	*	*			trans	-168.2	94.4	172.2	-116.2	179.1	-178.5	-166.5	-2.1	110.7
1093	C	25.2	Very low	28.3	Very low	128 Å²	128	148.8 Å²	148.8	87%	0.865	81%	0.81	S	S	*	*			trans	178.6	146.6	156.7	-101	0	0	0	0	106.7
1094	S	24.1	Very low	28.5	Very low	106 Å²	106	151.6 Å²	151.6	74%	0.741	81%	0.81	S	S	*	*			cis	-137	134.3	10.5	-56.5	0	0	0	0	112.4
1095	T	25.4	Very low	28.5	Very low	134 Å²	134	153.3 Å²	153.3	82%	0.822	81%	0.813	S	S	*	*			trans	-148.1	156.4	154.6	-34.1	0	0	0	0	106.5
1096	E	31.2	Very low	28.6	Very low	183 Å²	183	149.7 Å²	149.7	86%	0.855	80%	0.798	S	S	*	*			trans	67.6	153.1	-168.9	-56.1	160.4	-140	0	0	111.4
1097	I	30.8	Very low	29	Very low	126 Å²	126	148.5 Å²	148.5	65%	0.646	79%	0.792	S	S	*	*			cis	-129.4	147.1	28.9	-70.5	159.2	0	0	0	107.4
1098	F	24.3	Very low	29	Very low	195 Å²	195	149.9 Å²	149.9	86%	0.855	80%	0.795	S	S	*	*				-131.8	129	53.2	-69	-94	0	0	0	111.9
1099	S	27.3	Very low	29.2	Very low	90 Å²	90	149.7 Å²	149.7	63%	0.629	79%	0.79	S	S	*	*				64.6	101.7	80.5	-50.9	0	0	0	0	112.5
1100	E	25.6	Very low	29.5	Very low	194 Å²	194	151 Å²	151	91%	0.907	79%	0.789	S	S	*	*				63.8	83.8	60.7	-66.3	-150.4	124.2	0	0	115.8
1101	A	28.5	Very low	30.1	Very low	104 Å²	104	148.4 Å²	148.4	86%	0.86	78%	0.781	S	S	*	*			trans	172.9	132.7	138.3	0	0	0	0	0	106.7
1102	S	26.9	Very low	30.6	Very low	113 Å²	113	146.6 Å²	146.6	79%	0.79	76%	0.759	S	S	*	*			cis	-138.2	125	26.2	179.3	0	0	0	0	111.4
1103	W	32.7	Very low	31.1	Very low	234 Å²	234	144 Å²	144	89%	0.886	76%	0.759	S	S	*	*			trans	-85.3	128.5	158.7	-80.1	94.2	0	0	0	108.7
1104	E	31.3	Very low	32.1	Very low	175 Å²	175	142.3 Å²	142.3	82%	0.818	75%	0.745	S	S	*	*			trans	-67.7	140.1	157	-74.3	-168.9	127.9	0	0	109.1	V1106	E1104-V1106 PolarHBondContact O-N 2.78Å
1105	Q	29.7	Very low	33.6	Very low	193 Å²	193	147 Å²	147	90%	0.902	75%	0.747	S	S	*	*			trans	-82.9	80	-168.4	-168.8	171.1	13.5	0	0	110.9	D1107	Q1105-D1107 PolarHBondContact O-N 3.09Å
1106	V	31.8	Very low	35.6	Very low	103 Å²	103	147 Å²	147	62%	0.624	73%	0.732	S	S	*	*			trans	-54.8	130.1	167.4	-177	0	0	0	0	108.7	E1104	E1104-V1106 PolarHBondContact O-N 2.78Å
1107	D	35.8	Very low	37.3	Very low	103 Å²	103	140.8 Å²	140.8	55%	0.551	70%	0.704	S	S	*	*			trans	-67.8	148.2	-174.7	-153.1	-27.6	0	0	0	111	Q1105 Q1109 D1110	Q1105-D1107 PolarHBondContact O-N 3.09Å; D1107-Q1109 PolarHBondContact O-N 3.32Å; D1107-D1110 PolarHBondContact O-N 3.07Å
1108	K	31.6	Very low	39.2	Very low	182 Å²	182	137 Å²	137	79%	0.791	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	11.6	-174.5	-87.7	-172.6	171.2	-177.6	0	114.4
1109	Q	33.7	Very low	41.5	Very low	146 Å²	146	131.1 Å²	131.1	68%	0.682	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-30.5	-179.5	-60.2	-177	1.5	0	0	111.8	D1107 T1111	D1107-Q1109 PolarHBondContact O-N 3.32Å; Q1109-T1111 VanDerWaalsContact C-N 3.27Å; Q1109-T1111 PolarHBondContact O-N 3.49Å
1110	D	37.2	Very low	43.6	Very low	134 Å²	134	134.1 Å²	134.1	72%	0.717	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	8.9	-172.8	-69.5	-22.4	0	0	0	115.1	D1107	D1107-D1110 PolarHBondContact O-N 3.07Å
1111	T	39.5	Very low	45.9	Very low	119 Å²	119	130.2 Å²	130.2	73%	0.73	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.3	15.7	-178.4	43.4	0	0	0	0	114.6	Q1109	Q1109-T1111 VanDerWaalsContact C-N 3.27Å; Q1109-T1111 PolarHBondContact O-N 3.49Å
1112	E	39.5	Very low	48.4	Very low	83 Å²	83	125.5 Å²	125.5	39%	0.388	62%	0.615	S	S	.	*			trans	-82.9	122	171.4	-72.4	-168.6	148.9	0	0	111.9	T1114 R1146 W1151	E1112-T1114 PolarHBondContact O-N 3.41Å; E1112-R1146 IonicContact OE1-NH2 3.59Å; E1112-R1146 PolarHBondContact OE1-NH2 3.06Å; E1112-R1146 IonicContact OE2-CZ 2.84Å; E1112-R1146 IonicContact OE2-NE 3.85Å; E1112-R1146 IonicContact OE2-NH2 3.06Å; E1112-R1146 PolarHBondContact OE2-NH2 2.82Å; E1112-W1151 HydrophobicContact CB-CH2 3.98Å; E1112-W1151 HydrophobicContact CB-CZ3 4.47Å; E1112-W1151 HydrophobicContact CG-CH2 4.02Å; E1112-W1151 WeakPolarHBondContact OE1-CZ2 3.32Å; E1112-W1151 WeakPolarHBondContact OE2-CH2 3.29Å
1113	M	41.3	Very low	51.1	Low	178 Å²	178	123 Å²	123	88%	0.877	60%	0.6	S	S	*	*			trans	-69.7	119.3	-170.8	-168.6	-176.1	-159.6	0	0	112.9	R1115	M1113-R1115 PolarHBondContact O-N 3.41Å
1114	T	45.5	Very low	53.8	Low	94 Å²	94	116.2 Å²	116.2	58%	0.577	58%	0.578	S	S	*	*			trans	-60.3	108	178.7	-51.6	0	0	0	0	111.9	E1112 W1116 T1144	E1112-T1114 PolarHBondContact O-N 3.41Å; T1114-W1116 VanDerWaalsContact C-N 3.34Å; T1114-W1116 PolarHBondContact O-N 2.86Å; T1114-T1144 HydrophobicContact CG2-CG2 4.14Å
1115	R	56.5	Low	56.5	Low	205 Å²	205	107.9 Å²	107.9	77%	0.774	54%	0.539	S	S	*	.			trans	-79.5	74.5	-173	-161.1	-177.7	-164.8	-170.8	5.3	112.9	M1113 L1117	M1113-R1115 PolarHBondContact O-N 3.41Å; R1115-L1117 PolarHBondContact O-N 3.14Å
1116	W	67.2	Low	59.2	Low	134 Å²	134	106 Å²	106	51%	0.508	53%	0.525	S	S	.	.			trans	-77	115.5	172.9	-168.6	-91.1	0	0	0	111	T1114 P1118 H1140	T1114-W1116 VanDerWaalsContact C-N 3.34Å; T1114-W1116 PolarHBondContact O-N 2.86Å; W1116-P1118 WeakPolarHBondContact O-CD 3.41Å; W1116-H1140 AromaticContact CD2-CD2 3.9Å; W1116-H1140 AromaticContact CE2-CD2 3.41Å; W1116-H1140 VanDerWaalsContact CE2-CD2 3.41Å; W1116-H1140 AromaticContact CE2-CG 3.65Å; W1116-H1140 AromaticContact CE2-NE2 3.64Å; W1116-H1140 HydrophobicContact CH2-CB 3.38Å; W1116-H1140 AromaticContact CH2-CG 3.56Å; W1116-H1140 HydrophobicContact CZ2-CB 3.65Å; W1116-H1140 AromaticContact CZ2-CD2 3.54Å; W1116-H1140 AromaticContact CZ2-CE1 3.86Å; W1116-H1140 AromaticContact CZ2-CG 3.22Å; W1116-H1140 AromaticContact CZ2-ND1 3.46Å; W1116-H1140 WeakPolarHBondContact CZ2-ND1 3.4Å; W1116-H1140 AromaticContact CZ2-NE2 3.9Å; W1116-H1140 HydrophobicContact CZ3-CB 3.86Å; W1116-H1140 AromaticContact NE1-CD2 3.66Å; W1116-H1140 AromaticContact NE1-CE1 3.88Å; W1116-H1140 AromaticContact NE1-NE2 3.42Å; W1116-H1140 PolarHBondContact NE1-NE2 3.36Å
1117	L	67.5	Low	61.7	Low	51 Å²	51	104.2 Å²	104.2	27%	0.267	52%	0.521	S	S	.	.			trans	-81	118.8	178.2	-175	66.3	0	0	0	110.7	R1115 L1121 A1122 H1140 G1154	R1115-L1117 PolarHBondContact O-N 3.14Å; L1117-L1121 HydrophobicContact CD1-CB 3.89Å; L1117-L1121 HydrophobicContact CD1-CD1 4.26Å; L1117-L1121 HydrophobicContact CG-CB 4.45Å; L1117-A1122 HydrophobicContact CD2-CB 4.03Å; L1117-H1140 PolarHBondContact O-NE2 3.07Å; L1117-G1154 PolarHBondContact N-O 2.78Å
1118	P	69.4	Low	64.2	Low	48 Å²	48	102.5 Å²	102.5	31%	0.312	52%	0.516	S	S	.	.			trans	-61.6	140.9	176.4	-23.5	34.8	0	0	0	112.5	W1116 H1120 L1121 A1122	W1116-P1118 WeakPolarHBondContact O-CD 3.41Å; P1118-H1120 WeakPolarHBondContact CB-CE1 3.5Å; P1118-H1120 PolarHBondContact O-N 3.37Å; P1118-L1121 HydrophobicContact CG-CD1 4.42Å; P1118-L1121 PolarHBondContact O-N 3.36Å; P1118-A1122 PolarHBondContact O-N 3.34Å
1119	D	73.6	Confident	66.8	Low	70 Å²	70	99.8 Å²	99.8	37%	0.374	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.1	-176.2	-83.7	-51.4	0	0	0	114.4	L1121 K1138 H1140	D1119-L1121 VanDerWaalsContact C-N 3.34Å; D1119-K1138 HydrophobicContact CB-CD 4.06Å; D1119-K1138 PolarHBondContact O-NZ 3.16Å; D1119-K1138 WeakPolarHBondContact OD1-CB 3.31Å; D1119-K1138 WeakPolarHBondContact OD1-CD 3.29Å; D1119-H1140 IonicContact OD1-CE1 2.81Å; D1119-H1140 PolarHBondContact OD1-CE1 2.9Å; D1119-H1140 IonicContact OD2-CE1 2.65Å; D1119-H1140 PolarHBondContact OD2-CE1 3.05Å
1120	H	71.3	Confident	69.2	Low	154 Å²	154	94.9 Å²	94.9	71%	0.713	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-21	177.4	62.7	-101.5	0	0	0	113.4	P1118	P1118-H1120 WeakPolarHBondContact CB-CE1 3.5Å; P1118-H1120 PolarHBondContact O-N 3.37Å
1121	L	73.5	Confident	71.5	Confident	112 Å²	112	90.7 Å²	90.7	59%	0.586	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-19.7	174.7	-59.5	-174.5	0	0	0	112.8	L1117 P1118 D1119 A1123	L1117-L1121 HydrophobicContact CD1-CB 3.89Å; L1117-L1121 HydrophobicContact CD1-CD1 4.26Å; L1117-L1121 HydrophobicContact CG-CB 4.45Å; P1118-L1121 HydrophobicContact CG-CD1 4.42Å; P1118-L1121 PolarHBondContact O-N 3.36Å; D1119-L1121 VanDerWaalsContact C-N 3.34Å; L1121-A1123 PolarHBondContact O-N 3.37Å
1122	A	81.5	Confident	73.6	Confident	5 Å²	5	86.2 Å²	86.2	4%	0.041	45%	0.447	C	S	.	.			trans	-83.8	86.5	179	0	0	0	0	0	112.1	L1117 P1118 F1132 K1138 V1156	L1117-A1122 HydrophobicContact CD2-CB 4.03Å; P1118-A1122 PolarHBondContact O-N 3.34Å; A1122-F1132 WeakPolarHBondContact O-CD2 3.32Å; A1122-K1138 PolarHBondContact O-NZ 3.21Å; A1122-V1156 HydrophobicContact CB-CB 3.56Å; A1122-V1156 HydrophobicContact CB-CG1 3.99Å; A1122-V1156 HydrophobicContact CB-CG2 3.55Å
1123	A	83.5	Confident	75.4	Confident	59 Å²	59	90.9 Å²	90.9	49%	0.488	46%	0.461	S	S	.	.			trans	-75	-28.3	177	0	0	0	0	0	114	L1121 F1132	L1121-A1123 PolarHBondContact O-N 3.37Å; A1123-F1132 PolarHBondContact O-N 3.46Å
1124	H	88.7	Confident	76.5	Confident	92 Å²	92	91.4 Å²	91.4	43%	0.426	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-133.6	154	-175.5	-57.7	84.1	0	0	0	111.2	Y1126 D1129 A1131 F1132	H1124-Y1126 PolarHBondContact O-N 2.94Å; H1124-D1129 WeakPolarHBondContact CB-OD1 3.31Å; H1124-D1129 PolarHBondContact CD2-O 2.8Å; H1124-D1129 IonicContact CG-OD1 2.61Å; H1124-A1131 VanDerWaalsContact CD2-CA 3.4Å; H1124-A1131 WeakPolarHBondContact CD2-CA 3.38Å; H1124-F1132 VanDerWaalsContact O-CE2 3.29Å; H1124-F1132 WeakPolarHBondContact O-CE2 3.29Å
1125	C	87.2	Confident	77.3	Confident	0 Å²	0	91 Å²	91	0%	0	47%	0.472	C	S	.	.			trans	-69.7	121.2	176.5	172.8	0	0	0	0	111.3	A1127 C1128 D1129 S1130 F1132 C1158	C1125-A1127 PolarHBondContact O-N 3.23Å; C1125-C1128 PolarHBondContact O-N 3.28Å; C1125-C1128 PolarHBondContact SG-SG 2.76Å; C1125-D1129 WeakPolarHBondContact O-CA 3.15Å; C1125-D1129 PolarHBondContact O-N 2.96Å; C1125-S1130 WeakPolarHBondContact CB-OG 3.41Å; C1125-S1130 PolarHBondContact N-O 3.35Å; C1125-F1132 HydrophobicContact CB-CE1 4.29Å; C1125-F1132 HydrophobicContact CB-CE2 4.21Å; C1125-F1132 HydrophobicContact CB-CZ 3.78Å; C1125-C1158 HydrophobicContact CB-CB 4.17Å; C1125-C1158 PolarHBondContact SG-N 2.87Å
1126	Y	86.6	Confident	78	Confident	155 Å²	155	83 Å²	83	61%	0.608	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.2	-173.4	-170.9	-97.9	0	0	0	115.7	H1124 N1155 V1156 F1157	H1124-Y1126 PolarHBondContact O-N 2.94Å; Y1126-N1155 HydrophobicContact CD1-CB 3.9Å; Y1126-N1155 WeakPolarHBondContact CD1-ND2 3.39Å; Y1126-N1155 HydrophobicContact CD2-CB 4Å; Y1126-N1155 WeakPolarHBondContact CD2-ND2 3.39Å; Y1126-N1155 VanDerWaalsContact CE1-ND2 3.26Å; Y1126-N1155 WeakPolarHBondContact CE1-ND2 3.47Å; Y1126-N1155 WeakPolarHBondContact CE2-ND2 3.33Å; Y1126-N1155 HydrophobicContact CG-CB 3.6Å; Y1126-V1156 WeakPolarHBondContact CB-O 3.43Å; Y1126-V1156 PolarHBondContact N-O 3Å; Y1126-F1157 AromaticContact CD1-CE1 3.82Å; Y1126-F1157 HydrophobicContact CD1-CE1 3.82Å; Y1126-F1157 AromaticContact CD1-CZ 3.8Å; Y1126-F1157 HydrophobicContact CD1-CZ 3.8Å; Y1126-F1157 HydrophobicContact CG-CE1 4.35Å; Y1126-F1157 HydrophobicContact CG-CZ 4.41Å
1127	A	85.4	Confident	78.3	Confident	64 Å²	64	86.5 Å²	86.5	53%	0.529	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-23.2	-179.8	0	0	0	0	0	115.5	C1125 F1157 C1161	C1125-A1127 PolarHBondContact O-N 3.23Å; A1127-F1157 HydrophobicContact CB-CD1 3.67Å; A1127-F1157 HydrophobicContact CB-CE1 3.78Å; A1127-C1161 HydrophobicContact CB-CB 3.82Å
1128	C	87.8	Confident	79.2	Confident	68 Å²	68	87.2 Å²	87.2	46%	0.459	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	7.7	-172	68.5	0	0	0	0	114.2	C1125 S1130 C1161	C1125-C1128 PolarHBondContact O-N 3.28Å; C1125-C1128 PolarHBondContact SG-SG 2.76Å; C1128-S1130 PolarHBondContact O-N 3.11Å; C1128-S1130 PolarHBondContact SG-OG 3.31Å; C1128-S1130 VanDerWaalsContact SG-OG 3.36Å; C1128-C1161 VanDerWaalsContact SG-SG 3.68Å
1129	D	86.9	Confident	80	Confident	124 Å²	124	86.9 Å²	86.9	66%	0.663	46%	0.456	S	S	*	.			trans	51.8	16.8	178.1	-147	28.3	0	0	0	115.8	H1124 C1125 A1131	H1124-D1129 WeakPolarHBondContact CB-OD1 3.31Å; H1124-D1129 PolarHBondContact CD2-O 2.8Å; H1124-D1129 IonicContact CG-OD1 2.61Å; C1125-D1129 WeakPolarHBondContact O-CA 3.15Å; C1125-D1129 PolarHBondContact O-N 2.96Å; D1129-A1131 PolarHBondContact O-N 3.11Å
1130	S	84	Confident	80.6	Confident	44 Å²	44	84.7 Å²	84.7	31%	0.308	44%	0.443	S	S	.	.			trans	-67.6	120.9	174.8	63.5	0	0	0	0	109.3	C1125 C1128	C1125-S1130 WeakPolarHBondContact CB-OG 3.41Å; C1125-S1130 PolarHBondContact N-O 3.35Å; C1128-S1130 PolarHBondContact O-N 3.11Å; C1128-S1130 PolarHBondContact SG-OG 3.31Å; C1128-S1130 VanDerWaalsContact SG-OG 3.36Å
1131	A	84.5	Confident	81.1	Confident	45 Å²	45	77.4 Å²	77.4	37%	0.372	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-54.9	139.3	175	0	0	0	0	0	111.4	H1124 D1129 W1133	H1124-A1131 VanDerWaalsContact CD2-CA 3.4Å; H1124-A1131 WeakPolarHBondContact CD2-CA 3.38Å; D1129-A1131 PolarHBondContact O-N 3.11Å; A1131-W1133 WeakPolarHBondContact O-CZ3 3.34Å
1132	F	84.1	Confident	81	Confident	25 Å²	25	77.4 Å²	77.4	11%	0.11	40%	0.402	C	S	.	.			trans	-90.2	103.9	174.1	-69.3	-66.6	0	0	0	110.4	A1122 A1123 H1124 C1125 S1136 K1138 V1156 C1158	A1122-F1132 WeakPolarHBondContact O-CD2 3.32Å; A1123-F1132 PolarHBondContact O-N 3.46Å; H1124-F1132 VanDerWaalsContact O-CE2 3.29Å; H1124-F1132 WeakPolarHBondContact O-CE2 3.29Å; C1125-F1132 HydrophobicContact CB-CE1 4.29Å; C1125-F1132 HydrophobicContact CB-CE2 4.21Å; C1125-F1132 HydrophobicContact CB-CZ 3.78Å; F1132-S1136 VanDerWaalsContact CA-OG 3.27Å; F1132-S1136 WeakPolarHBondContact CA-OG 3.37Å; F1132-K1138 HydrophobicContact CB-CG 4.47Å; F1132-K1138 HydrophobicContact CD1-CG 3.93Å; F1132-K1138 HydrophobicContact CD2-CD 4.27Å; F1132-K1138 HydrophobicContact CD2-CG 4.19Å; F1132-K1138 HydrophobicContact CE1-CG 4.09Å; F1132-K1138 HydrophobicContact CE2-CG 4.33Å; F1132-K1138 HydrophobicContact CG-CD 4.33Å; F1132-K1138 HydrophobicContact CG-CG 3.98Å; F1132-K1138 HydrophobicContact CZ-CG 4.29Å; F1132-V1156 HydrophobicContact CE2-CB 4.38Å; F1132-V1156 HydrophobicContact CE2-CG1 3.73Å; F1132-V1156 HydrophobicContact CZ-CG1 3.77Å; F1132-C1158 HydrophobicContact CE1-CB 3.98Å
1133	W	76.3	Confident	80.1	Confident	181 Å²	181	77.6 Å²	77.6	69%	0.686	40%	0.403	S	S	*	.			trans	-93.9	171.1	169.5	63.9	92.3	0	0	0	112.1	A1131 A1135 S1136	A1131-W1133 WeakPolarHBondContact O-CZ3 3.34Å; W1133-A1135 PolarHBondContact O-N 3.38Å; W1133-S1136 PolarHBondContact N-OG 3.48Å; W1133-S1136 VanDerWaalsContact N-OG 3.14Å; W1133-S1136 WeakPolarHBondContact O-CB 3.38Å; W1133-S1136 PolarHBondContact O-N 2.86Å; W1133-S1136 PolarHBondContact O-OG 3.28Å
1134	L	65.1	Low	78.8	Confident	190 Å²	190	76.2 Å²	76.2	100%	0.995	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-22.1	-168.3	-67.2	167.3	0	0	0	116.6
1135	A	62.3	Low	76.8	Confident	85 Å²	85	75.8 Å²	75.8	70%	0.702	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.4	178.4	0	0	0	0	0	114	W1133	W1133-A1135 PolarHBondContact O-N 3.38Å
1136	S	70.5	Confident	74.7	Confident	37 Å²	37	83.1 Å²	83.1	26%	0.259	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-94.6	120.5	-175.3	66.3	0	0	0	0	111.5	F1132 W1133	F1132-S1136 VanDerWaalsContact CA-OG 3.27Å; F1132-S1136 WeakPolarHBondContact CA-OG 3.37Å; W1133-S1136 PolarHBondContact N-OG 3.48Å; W1133-S1136 VanDerWaalsContact N-OG 3.14Å; W1133-S1136 WeakPolarHBondContact O-CB 3.38Å; W1133-S1136 PolarHBondContact O-N 2.86Å; W1133-S1136 PolarHBondContact O-OG 3.28Å
1137	R	75.2	Confident	72.6	Confident	208 Å²	208	79.4 Å²	79.4	79%	0.785	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-76.8	127.7	177.4	-68.4	-173.9	178.4	-176.8	-0.9	110.6
1138	K	86.7	Confident	70.5	Confident	65 Å²	65	83.1 Å²	83.1	28%	0.283	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-84.8	146.1	174.6	-66.4	-173.3	-169	-165.3	0	110.6	D1119 A1122 F1132 V1156	D1119-K1138 HydrophobicContact CB-CD 4.06Å; D1119-K1138 PolarHBondContact O-NZ 3.16Å; D1119-K1138 WeakPolarHBondContact OD1-CB 3.31Å; D1119-K1138 WeakPolarHBondContact OD1-CD 3.29Å; A1122-K1138 PolarHBondContact O-NZ 3.21Å; F1132-K1138 HydrophobicContact CB-CG 4.47Å; F1132-K1138 HydrophobicContact CD1-CG 3.93Å; F1132-K1138 HydrophobicContact CD2-CD 4.27Å; F1132-K1138 HydrophobicContact CD2-CG 4.19Å; F1132-K1138 HydrophobicContact CE1-CG 4.09Å; F1132-K1138 HydrophobicContact CE2-CG 4.33Å; F1132-K1138 HydrophobicContact CG-CD 4.33Å; F1132-K1138 HydrophobicContact CG-CG 3.98Å; F1132-K1138 HydrophobicContact CZ-CG 4.29Å; K1138-V1156 HydrophobicContact CB-CG1 3.57Å; K1138-V1156 HydrophobicContact CD-CG1 4.13Å; K1138-V1156 HydrophobicContact CG-CG1 3.93Å
1139	H	85.9	Confident	68.3	Low	42 Å²	42	89.7 Å²	89.7	19%	0.194	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	122.6	-177.3	-59.5	-52.6	0	0	0	111.9	F1157 C1162	H1139-F1157 PolarHBondContact N-O 3.44Å; H1139-F1157 VanDerWaalsContact N-O 3.11Å; H1139-F1157 PolarHBondContact O-N 3.27Å; H1139-C1162 WeakPolarHBondContact CB-SG 3.47Å
1140	H	85.9	Confident	66	Low	23 Å²	23	89.1 Å²	89.1	11%	0.106	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	152.2	172.8	-57.1	73.9	0	0	0	112.7	W1116 L1117 D1119 N1155 V1156	W1116-H1140 AromaticContact CD2-CD2 3.9Å; W1116-H1140 AromaticContact CE2-CD2 3.41Å; W1116-H1140 VanDerWaalsContact CE2-CD2 3.41Å; W1116-H1140 AromaticContact CE2-CG 3.65Å; W1116-H1140 AromaticContact CE2-NE2 3.64Å; W1116-H1140 HydrophobicContact CH2-CB 3.38Å; W1116-H1140 AromaticContact CH2-CG 3.56Å; W1116-H1140 HydrophobicContact CZ2-CB 3.65Å; W1116-H1140 AromaticContact CZ2-CD2 3.54Å; W1116-H1140 AromaticContact CZ2-CE1 3.86Å; W1116-H1140 AromaticContact CZ2-CG 3.22Å; W1116-H1140 AromaticContact CZ2-ND1 3.46Å; W1116-H1140 WeakPolarHBondContact CZ2-ND1 3.4Å; W1116-H1140 AromaticContact CZ2-NE2 3.9Å; W1116-H1140 HydrophobicContact CZ3-CB 3.86Å; W1116-H1140 AromaticContact NE1-CD2 3.66Å; W1116-H1140 AromaticContact NE1-CE1 3.88Å; W1116-H1140 AromaticContact NE1-NE2 3.42Å; W1116-H1140 PolarHBondContact NE1-NE2 3.36Å; L1117-H1140 PolarHBondContact O-NE2 3.07Å; D1119-H1140 IonicContact OD1-CE1 2.81Å; D1119-H1140 PolarHBondContact OD1-CE1 2.9Å; D1119-H1140 IonicContact OD2-CE1 2.65Å; D1119-H1140 PolarHBondContact OD2-CE1 3.05Å; H1140-N1155 WeakPolarHBondContact CA-O 3.44Å; H1140-V1156 WeakPolarHBondContact NE2-CG2 3.43Å
1141	C	81.8	Confident	64.3	Low	2 Å²	2	94 Å²	94	1%	0.014	46%	0.458	C	S	.	.			trans	-89.3	133.2	163.1	-176	0	0	0	0	110.2	C1153 N1155 F1157 V1179 C1180 C1183	C1141-C1153 VanDerWaalsContact CB-SG 3.55Å; C1141-C1153 VanDerWaalsContact SG-SG 3.6Å; C1141-N1155 PolarHBondContact N-O 3.06Å; C1141-F1157 HydrophobicContact CB-CD2 4.09Å; C1141-F1157 HydrophobicContact CB-CE2 3.64Å; C1141-V1179 VanDerWaalsContact SG-CA 3.6Å; C1141-C1180 HydrophobicContact CB-CB 4.19Å; C1141-C1180 PolarHBondContact SG-N 2.86Å; C1141-C1183 VanDerWaalsContact SG-SG 3.61Å
1142	R	70.7	Confident	62.9	Low	111 Å²	111	93.8 Å²	93.8	42%	0.419	45%	0.45	S	S	.	.			trans	-97.5	11	-174.5	-71	-176.3	168.9	-176.8	-7	115.7	Q1171 S1177 R1178	R1142-Q1171 PolarHBondContact O-NE2 2.93Å; R1142-Q1171 PolarHBondContact O-OE1 2.77Å; R1142-S1177 PolarHBondContact NH1-OG 2.86Å; R1142-R1178 PolarHBondContact N-O 3.42Å
1143	D	63.5	Low	62.1	Low	9 Å²	9	93.8 Å²	93.8	5%	0.048	45%	0.453	C	S	.	.			trans	-89.6	145.1	-179.3	178.8	24.5	0	0	0	112.3	D1145 V1179 C1183 L1187	D1143-D1145 PolarHBondContact OD1-N 3.44Å; D1143-V1179 HydrophobicContact CB-CG1 4.19Å; D1143-C1183 HydrophobicContact CB-CB 3.62Å; D1143-C1183 WeakPolarHBondContact OD2-CA 3.42Å; D1143-C1183 WeakPolarHBondContact OD2-CB 3.44Å; D1143-C1183 PolarHBondContact OD2-SG 2.62Å; D1143-L1187 HydrophobicContact CB-CD1 3.94Å
1144	T	55.6	Low	61.8	Low	30 Å²	30	85.6 Å²	85.6	18%	0.184	43%	0.425	C	S	.	.			trans	-137.3	-2.5	-174.3	37.3	0	0	0	0	115.1	T1114 N1152 Q1171	T1114-T1144 HydrophobicContact CG2-CG2 4.14Å; T1144-N1152 PolarHBondContact O-ND2 2.99Å; T1144-N1152 PolarHBondContact O-OD1 2.96Å; T1144-Q1171 VanDerWaalsContact CG2-NE2 3.28Å; T1144-Q1171 PolarHBondContact OG1-NE2 2.86Å
1145	D	47.3	Very low	62.7	Low	83 Å²	83	77.8 Å²	77.8	44%	0.444	39%	0.385	S	S	.	.			trans	-83.1	138	-177.6	-72	-56.2	0	0	0	112.5	D1143 V1147 S1170	D1143-D1145 PolarHBondContact OD1-N 3.44Å; D1145-V1147 PolarHBondContact O-N 3.26Å; D1145-S1170 WeakPolarHBondContact OD2-CB 3.25Å; D1145-S1170 PolarHBondContact OD2-OG 2.79Å
1146	R	42	Very low	63.9	Low	155 Å²	155	73.9 Å²	73.9	59%	0.585	35%	0.352	S	S	*	.			trans	-75.2	110.1	-178.7	-75.1	-174.6	177.4	-168.5	1.4	111.2	E1112	E1112-R1146 IonicContact OE1-NH2 3.59Å; E1112-R1146 PolarHBondContact OE1-NH2 3.06Å; E1112-R1146 IonicContact OE2-CZ 2.84Å; E1112-R1146 IonicContact OE2-NE 3.85Å; E1112-R1146 IonicContact OE2-NH2 3.06Å; E1112-R1146 PolarHBondContact OE2-NH2 2.82Å
1147	V	42	Very low	64.7	Low	77 Å²	77	72.4 Å²	72.4	47%	0.467	34%	0.341	S	S	.	.			trans	-102.9	111.4	157.1	-179.1	0	0	0	0	108.8	D1145	D1145-V1147 PolarHBondContact O-N 3.26Å
1148	D	41.9	Very low	65.4	Low	141 Å²	141	63.4 Å²	63.4	75%	0.754	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	27	100.9	174.9	-71	-40.4	0	0	0	118.5	T1150	D1148-T1150 PolarHBondContact O-N 3.12Å; D1148-T1150 PolarHBondContact O-OG1 3.18Å
1149	Q	40.9	Very low	65.4	Low	206 Å²	206	63.8 Å²	63.8	96%	0.963	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	8.7	165.5	-58	-166.7	8.2	0	0	117.4
1150	T	39.7	Very low	65.4	Low	112 Å²	112	64.9 Å²	64.9	69%	0.687	33%	0.333	S	S	*	.			trans	-112.9	127.4	172.5	-34.8	0	0	0	0	109.9	D1148	D1148-T1150 PolarHBondContact O-N 3.12Å; D1148-T1150 PolarHBondContact O-OG1 3.18Å
1151	W	48.5	Very low	65.4	Low	147 Å²	147	64.6 Å²	64.6	56%	0.557	33%	0.333	S	S	*	.			trans	-74.5	151.3	-171.8	-102.6	91.9	0	0	0	114.1	E1112 C1153	E1112-W1151 HydrophobicContact CB-CH2 3.98Å; E1112-W1151 HydrophobicContact CB-CZ3 4.47Å; E1112-W1151 HydrophobicContact CG-CH2 4.02Å; E1112-W1151 WeakPolarHBondContact OE1-CZ2 3.32Å; E1112-W1151 WeakPolarHBondContact OE2-CH2 3.29Å; W1151-C1153 PolarHBondContact O-N 3.37Å
1152	N	55.9	Low	65.7	Low	40 Å²	40	64.5 Å²	64.5	21%	0.214	33%	0.332	C	S	.	.			trans	-39.9	116.5	174	-51.4	13.2	0	0	0	110.6	T1144	T1144-N1152 PolarHBondContact O-ND2 2.99Å; T1144-N1152 PolarHBondContact O-OD1 2.96Å
1153	C	66.5	Low	66.4	Low	25 Å²	25	63 Å²	63	17%	0.169	33%	0.333	C	S	.	.			trans	-71.2	-49	-164	68.6	0	0	0	0	113.1	C1141 W1151 N1155 C1183	C1141-C1153 VanDerWaalsContact CB-SG 3.55Å; C1141-C1153 VanDerWaalsContact SG-SG 3.6Å; W1151-C1153 PolarHBondContact O-N 3.37Å; C1153-N1155 PolarHBondContact O-N 3.24Å; C1153-N1155 PolarHBondContact O-ND2 3.38Å; C1153-N1155 PolarHBondContact O-OD1 3.34Å; C1153-C1183 VanDerWaalsContact SG-SG 3.65Å
1154	G	69.9	Low	67.4	Low	10 Å²	10	65.3 Å²	65.3	10%	0.103	34%	0.343	C	S	.	.			trans	56.5	5.8	177.1	0	0	0	0	0	116.4	L1117	L1117-G1154 PolarHBondContact N-O 2.78Å
1155	N	83.1	Confident	68.7	Low	26 Å²	26	70.1 Å²	70.1	14%	0.139	36%	0.362	C	S	.	.			trans	-88.4	165.5	-165.3	-75.4	-44.7	0	0	0	112.5	Y1126 H1140 C1141 C1153 F1157	Y1126-N1155 HydrophobicContact CD1-CB 3.9Å; Y1126-N1155 WeakPolarHBondContact CD1-ND2 3.39Å; Y1126-N1155 HydrophobicContact CD2-CB 4Å; Y1126-N1155 WeakPolarHBondContact CD2-ND2 3.39Å; Y1126-N1155 VanDerWaalsContact CE1-ND2 3.26Å; Y1126-N1155 WeakPolarHBondContact CE1-ND2 3.47Å; Y1126-N1155 WeakPolarHBondContact CE2-ND2 3.33Å; Y1126-N1155 HydrophobicContact CG-CB 3.6Å; H1140-N1155 WeakPolarHBondContact CA-O 3.44Å; C1141-N1155 PolarHBondContact N-O 3.06Å; C1153-N1155 PolarHBondContact O-N 3.24Å; C1153-N1155 PolarHBondContact O-ND2 3.38Å; C1153-N1155 PolarHBondContact O-OD1 3.34Å; N1155-F1157 HydrophobicContact CB-CE2 3.9Å; N1155-F1157 HydrophobicContact CB-CZ 4.06Å; N1155-F1157 WeakPolarHBondContact O-CD2 3.42Å; N1155-F1157 WeakPolarHBondContact O-CE2 3.42Å
1156	V	87.5	Confident	70.3	Confident	2 Å²	2	67 Å²	67	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.8	-178.9	-175.7	0	0	0	0	111.1	A1122 Y1126 F1132 K1138 H1140	A1122-V1156 HydrophobicContact CB-CB 3.56Å; A1122-V1156 HydrophobicContact CB-CG1 3.99Å; A1122-V1156 HydrophobicContact CB-CG2 3.55Å; Y1126-V1156 WeakPolarHBondContact CB-O 3.43Å; Y1126-V1156 PolarHBondContact N-O 3Å; F1132-V1156 HydrophobicContact CE2-CB 4.38Å; F1132-V1156 HydrophobicContact CE2-CG1 3.73Å; F1132-V1156 HydrophobicContact CZ-CG1 3.77Å; K1138-V1156 HydrophobicContact CB-CG1 3.57Å; K1138-V1156 HydrophobicContact CD-CG1 4.13Å; K1138-V1156 HydrophobicContact CG-CG1 3.93Å; H1140-V1156 WeakPolarHBondContact NE2-CG2 3.43Å
1157	F	89.1	Confident	71.8	Confident	6 Å²	6	62 Å²	62	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.2	-176.7	-59.5	-89.7	0	0	0	111.2	Y1126 A1127 H1139 C1141 N1155 C1161 C1162 C1180	Y1126-F1157 AromaticContact CD1-CE1 3.82Å; Y1126-F1157 HydrophobicContact CD1-CE1 3.82Å; Y1126-F1157 AromaticContact CD1-CZ 3.8Å; Y1126-F1157 HydrophobicContact CD1-CZ 3.8Å; Y1126-F1157 HydrophobicContact CG-CE1 4.35Å; Y1126-F1157 HydrophobicContact CG-CZ 4.41Å; A1127-F1157 HydrophobicContact CB-CD1 3.67Å; A1127-F1157 HydrophobicContact CB-CE1 3.78Å; H1139-F1157 PolarHBondContact N-O 3.44Å; H1139-F1157 VanDerWaalsContact N-O 3.11Å; H1139-F1157 PolarHBondContact O-N 3.27Å; C1141-F1157 HydrophobicContact CB-CD2 4.09Å; C1141-F1157 HydrophobicContact CB-CE2 3.64Å; N1155-F1157 HydrophobicContact CB-CE2 3.9Å; N1155-F1157 HydrophobicContact CB-CZ 4.06Å; N1155-F1157 WeakPolarHBondContact O-CD2 3.42Å; N1155-F1157 WeakPolarHBondContact O-CE2 3.42Å; F1157-C1161 HydrophobicContact CB-CB 4.17Å; F1157-C1161 HydrophobicContact CD1-CB 4.19Å; F1157-C1162 HydrophobicContact CB-CB 3.79Å; F1157-C1162 HydrophobicContact CG-CB 4.32Å; F1157-C1180 HydrophobicContact CD1-CB 4.22Å; F1157-C1180 HydrophobicContact CD2-CB 4.1Å; F1157-C1180 HydrophobicContact CE1-CB 3.85Å; F1157-C1180 HydrophobicContact CE2-CB 3.75Å; F1157-C1180 HydrophobicContact CG-CB 4.33Å; F1157-C1180 HydrophobicContact CZ-CB 3.6Å
1158	C	88.8	Confident	73.2	Confident	19 Å²	19	58.4 Å²	58.4	13%	0.128	31%	0.311	C	S	.	.			trans	-78.1	158.7	167.1	69.3	0	0	0	0	110.7	C1125 F1132 S1160 C1161 C1162	C1125-C1158 HydrophobicContact CB-CB 4.17Å; C1125-C1158 PolarHBondContact SG-N 2.87Å; F1132-C1158 HydrophobicContact CE1-CB 3.98Å; C1158-S1160 PolarHBondContact O-N 3.01Å; C1158-S1160 PolarHBondContact SG-OG 3.29Å; C1158-C1161 PolarHBondContact O-N 2.86Å; C1158-C1162 PolarHBondContact O-N 3.46Å; C1158-C1162 PolarHBondContact O-SG 3Å
1159	S	86.5	Confident	73.9	Confident	73 Å²	73	55.3 Å²	55.3	51%	0.51	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.4	-171.2	59.2	0	0	0	0	115.5	N1163	S1159-N1163 WeakPolarHBondContact O-CA 3.47Å; S1159-N1163 VanDerWaalsContact O-CB 3.31Å; S1159-N1163 WeakPolarHBondContact O-CB 3.47Å; S1159-N1163 PolarHBondContact O-N 2.76Å
1160	S	86.3	Confident	74.5	Confident	66 Å²	66	48.4 Å²	48.4	46%	0.462	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.9	178.5	60.4	0	0	0	0	114.7	C1158 K1181	C1158-S1160 PolarHBondContact O-N 3.01Å; C1158-S1160 PolarHBondContact SG-OG 3.29Å; S1160-K1181 WeakPolarHBondContact O-CE 3.1Å; S1160-K1181 PolarHBondContact O-NZ 2.77Å; S1160-K1181 VanDerWaalsContact O-NZ 3.16Å
1161	C	84.9	Confident	75.2	Confident	16 Å²	16	46.4 Å²	46.4	11%	0.108	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-23	177.1	-70.9	0	0	0	0	112.9	A1127 C1128 F1157 C1158 K1181	A1127-C1161 HydrophobicContact CB-CB 3.82Å; C1128-C1161 VanDerWaalsContact SG-SG 3.68Å; F1157-C1161 HydrophobicContact CB-CB 4.17Å; F1157-C1161 HydrophobicContact CD1-CB 4.19Å; C1158-C1161 PolarHBondContact O-N 2.86Å; C1161-K1181 PolarHBondContact O-N 2.65Å
1162	C	88.3	Confident	75.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-119.7	43.1	172	62	0	0	0	0	111.7	H1139 F1157 C1158 Q1164 R1178 V1179	H1139-C1162 WeakPolarHBondContact CB-SG 3.47Å; F1157-C1162 HydrophobicContact CB-CB 3.79Å; F1157-C1162 HydrophobicContact CG-CB 4.32Å; C1158-C1162 PolarHBondContact O-N 3.46Å; C1158-C1162 PolarHBondContact O-SG 3Å; C1162-Q1164 PolarHBondContact O-N 2.87Å; C1162-R1178 HydrophobicContact CB-CG 4.27Å; C1162-R1178 VanDerWaalsContact O-CD 3.3Å; C1162-R1178 WeakPolarHBondContact O-CD 3.37Å; C1162-R1178 WeakPolarHBondContact O-CG 3.15Å; C1162-R1178 PolarHBondContact O-NH1 3.3Å; C1162-V1179 CarbonylContact C-O 3.32Å; C1162-V1179 VanDerWaalsContact CA-O 3.23Å; C1162-V1179 WeakPolarHBondContact CA-O 3.35Å
1163	N	85.4	Confident	75.9	Confident	81 Å²	81	47.6 Å²	47.6	43%	0.433	27%	0.268	S	S	.	.			trans	-78.8	-2.8	-177.8	68.5	-27.2	0	0	0	114.3	S1159	S1159-N1163 WeakPolarHBondContact O-CA 3.47Å; S1159-N1163 VanDerWaalsContact O-CB 3.31Å; S1159-N1163 WeakPolarHBondContact O-CB 3.47Å; S1159-N1163 PolarHBondContact O-N 2.76Å
1164	Q	84.3	Confident	76	Confident	56 Å²	56	53.7 Å²	53.7	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	155.3	-174.8	-55.9	-55.6	-43.7	0	0	112.5	C1162 R1178 V1179 Y1184	C1162-Q1164 PolarHBondContact O-N 2.87Å; Q1164-R1178 WeakPolarHBondContact O-CA 3.41Å; Q1164-V1179 HydrophobicContact CB-CG2 4.27Å; Q1164-V1179 PolarHBondContact O-N 2.71Å; Q1164-Y1184 HydrophobicContact CB-CD1 3.91Å; Q1164-Y1184 HydrophobicContact CB-CD2 3.54Å; Q1164-Y1184 HydrophobicContact CB-CE1 4.41Å; Q1164-Y1184 HydrophobicContact CB-CE2 4.1Å; Q1164-Y1184 HydrophobicContact CB-CG 3.42Å; Q1164-Y1184 VanDerWaalsContact CB-CG 3.42Å; Q1164-Y1184 HydrophobicContact CG-CD1 3.7Å; Q1164-Y1184 HydrophobicContact CG-CD2 4.3Å; Q1164-Y1184 HydrophobicContact CG-CE1 4.26Å; Q1164-Y1184 HydrophobicContact CG-CG 3.71Å
1165	K	84.4	Confident	75.9	Confident	132 Å²	132	61 Å²	61	57%	0.574	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	133.8	175.5	-81.9	-174.8	157.9	-139.1	0	111.3	P1176 S1177 Y1184	K1165-P1176 HydrophobicContact CB-CB 3.95Å; K1165-P1176 HydrophobicContact CD-CB 4.49Å; K1165-P1176 WeakPolarHBondContact CD-O 3.15Å; K1165-P1176 WeakPolarHBondContact CE-O 3.17Å; K1165-P1176 PolarHBondContact NZ-O 3.13Å; K1165-P1176 VanDerWaalsContact NZ-O 3.16Å; K1165-S1177 VanDerWaalsContact CA-O 3.25Å; K1165-S1177 WeakPolarHBondContact CA-O 3.42Å; K1165-Y1184 VanDerWaalsContact O-CE2 3.25Å; K1165-Y1184 WeakPolarHBondContact O-CE2 3.41Å
1166	V	80.3	Confident	75.7	Confident	17 Å²	17	62.9 Å²	62.9	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.5	175.7	66.9	0	0	0	0	108.9	P1176 S1177 V1179 Y1184 L1187	V1166-P1176 CarbonylContact O-C 3.6Å; V1166-S1177 PolarHBondContact N-O 3.34Å; V1166-S1177 VanDerWaalsContact N-O 3.07Å; V1166-S1177 PolarHBondContact O-N 3.41Å; V1166-V1179 HydrophobicContact CG1-CG1 4.08Å; V1166-V1179 HydrophobicContact CG1-CG2 3.72Å; V1166-Y1184 HydrophobicContact CB-CD2 3.89Å; V1166-Y1184 HydrophobicContact CB-CE2 3.93Å; V1166-Y1184 HydrophobicContact CG1-CD2 4.21Å; V1166-L1187 HydrophobicContact CG1-CB 3.99Å; V1166-L1187 HydrophobicContact CG1-CD1 3.57Å; V1166-L1187 HydrophobicContact CG1-CG 4.46Å; V1166-L1187 HydrophobicContact CG2-CB 4.19Å
1167	P	74.1	Confident	75.4	Confident	51 Å²	51	63.3 Å²	63.3	33%	0.331	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	149.8	167.2	-25	36	0	0	0	110.8	P1176	P1167-P1176 HydrophobicContact CG-CG 4.22Å
1168	V	71.1	Confident	75.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	79.2	173.8	-172.2	0	0	0	0	107.9	S1170 Q1171 L1173 V1179 L1187	V1168-S1170 PolarHBondContact O-N 3.17Å; V1168-Q1171 HydrophobicContact CG1-CB 4.21Å; V1168-Q1171 HydrophobicContact CG1-CG 4.1Å; V1168-Q1171 PolarHBondContact O-N 3.02Å; V1168-L1173 HydrophobicContact CB-CB 4.36Å; V1168-L1173 PolarHBondContact N-O 3.05Å; V1168-L1173 PolarHBondContact O-N 3.42Å; V1168-L1173 VanDerWaalsContact O-N 3.15Å; V1168-V1179 HydrophobicContact CG2-CG1 4.43Å; V1168-L1187 HydrophobicContact CG2-CD1 4.12Å
1169	P	56.6	Low	75.1	Confident	77 Å²	77	66.3 Å²	66.3	50%	0.5	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-63.7	-29	-171.4	-22.7	35.1	0	0	0	113.5	Q1171 Q1172	P1169-Q1171 PolarHBondContact O-N 3.09Å; P1169-Q1172 WeakPolarHBondContact O-CA 3.29Å; P1169-Q1172 PolarHBondContact O-N 3.23Å
1170	S	54.4	Low	75.1	Confident	61 Å²	61	63.2 Å²	63.2	43%	0.427	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.9	173.9	44.1	0	0	0	0	113.9	D1145 V1168	D1145-S1170 WeakPolarHBondContact OD2-CB 3.25Å; D1145-S1170 PolarHBondContact OD2-OG 2.79Å; V1168-S1170 PolarHBondContact O-N 3.17Å
1171	Q	53	Low	74.8	Confident	69 Å²	69	65.4 Å²	65.4	32%	0.322	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-105.4	13	169.9	-67.2	-176.5	11.8	0	0	113.1	R1142 T1144 V1168 P1169 L1173	R1142-Q1171 PolarHBondContact O-NE2 2.93Å; R1142-Q1171 PolarHBondContact O-OE1 2.77Å; T1144-Q1171 VanDerWaalsContact CG2-NE2 3.28Å; T1144-Q1171 PolarHBondContact OG1-NE2 2.86Å; V1168-Q1171 HydrophobicContact CG1-CB 4.21Å; V1168-Q1171 HydrophobicContact CG1-CG 4.1Å; V1168-Q1171 PolarHBondContact O-N 3.02Å; P1169-Q1171 PolarHBondContact O-N 3.09Å; Q1171-L1173 HydrophobicContact CB-CD1 4.13Å; Q1171-L1173 HydrophobicContact CB-CG 4.03Å; Q1171-L1173 PolarHBondContact O-N 2.9Å; Q1171-L1173 VanDerWaalsContact O-N 3.11Å
1172	Q	56.5	Low	74.6	Confident	158 Å²	158	68.8 Å²	68.8	74%	0.738	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	19.1	-171.6	-54.2	178.5	0.1	0	0	113.2	P1169 F1174	P1169-Q1172 WeakPolarHBondContact O-CA 3.29Å; P1169-Q1172 PolarHBondContact O-N 3.23Å; Q1172-F1174 HydrophobicContact CB-CE2 4.09Å; Q1172-F1174 WeakPolarHBondContact O-CD2 3.36Å; Q1172-F1174 WeakPolarHBondContact O-CE2 3.31Å; Q1172-F1174 PolarHBondContact O-N 3.02Å
1173	L	63.3	Low	74.2	Confident	55 Å²	55	69.4 Å²	69.4	29%	0.288	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	76.7	177.3	-65.2	179.3	0	0	0	109.7	V1168 Q1171 E1175	V1168-L1173 HydrophobicContact CB-CB 4.36Å; V1168-L1173 PolarHBondContact N-O 3.05Å; V1168-L1173 PolarHBondContact O-N 3.42Å; V1168-L1173 VanDerWaalsContact O-N 3.15Å; Q1171-L1173 HydrophobicContact CB-CD1 4.13Å; Q1171-L1173 HydrophobicContact CB-CG 4.03Å; Q1171-L1173 PolarHBondContact O-N 2.9Å; Q1171-L1173 VanDerWaalsContact O-N 3.11Å; L1173-E1175 PolarHBondContact O-N 2.84Å
1174	F	67.8	Low	74	Confident	152 Å²	152	67.7 Å²	67.7	67%	0.667	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	-24.2	179.1	-57.5	-77.4	0	0	0	113.1	Q1172	Q1172-F1174 HydrophobicContact CB-CE2 4.09Å; Q1172-F1174 WeakPolarHBondContact O-CD2 3.36Å; Q1172-F1174 WeakPolarHBondContact O-CE2 3.31Å; Q1172-F1174 PolarHBondContact O-N 3.02Å
1175	E	69.3	Low	73.6	Confident	164 Å²	164	69.1 Å²	69.1	77%	0.766	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.9	171.3	-69.3	-163.7	165.6	0	0	112.8	L1173 S1177	L1173-E1175 PolarHBondContact O-N 2.84Å; E1175-S1177 PolarHBondContact O-N 3.13Å
1176	P	78.8	Confident	72.9	Confident	65 Å²	65	65.3 Å²	65.3	42%	0.422	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	101.8	-179.6	-27.2	35.3	0	0	0	115.1	K1165 V1166 P1167	K1165-P1176 HydrophobicContact CB-CB 3.95Å; K1165-P1176 HydrophobicContact CD-CB 4.49Å; K1165-P1176 WeakPolarHBondContact CD-O 3.15Å; K1165-P1176 WeakPolarHBondContact CE-O 3.17Å; K1165-P1176 PolarHBondContact NZ-O 3.13Å; K1165-P1176 VanDerWaalsContact NZ-O 3.16Å; V1166-P1176 CarbonylContact O-C 3.6Å; P1167-P1176 HydrophobicContact CG-CG 4.22Å
1177	S	79.8	Confident	72.4	Confident	11 Å²	11	66.2 Å²	66.2	8%	0.077	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	153.6	179.6	-92.7	0	0	0	0	112.4	R1142 K1165 V1166 E1175	R1142-S1177 PolarHBondContact NH1-OG 2.86Å; K1165-S1177 VanDerWaalsContact CA-O 3.25Å; K1165-S1177 WeakPolarHBondContact CA-O 3.42Å; V1166-S1177 PolarHBondContact N-O 3.34Å; V1166-S1177 VanDerWaalsContact N-O 3.07Å; V1166-S1177 PolarHBondContact O-N 3.41Å; E1175-S1177 PolarHBondContact O-N 3.13Å
1178	R	86	Confident	72	Confident	89 Å²	89	71 Å²	71	34%	0.336	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.5	-176.4	-172.8	-176.9	-73.4	-88.1	7.6	111.2	R1142 C1162 Q1164	R1142-R1178 PolarHBondContact N-O 3.42Å; C1162-R1178 HydrophobicContact CB-CG 4.27Å; C1162-R1178 VanDerWaalsContact O-CD 3.3Å; C1162-R1178 WeakPolarHBondContact O-CD 3.37Å; C1162-R1178 WeakPolarHBondContact O-CG 3.15Å; C1162-R1178 PolarHBondContact O-NH1 3.3Å; Q1164-R1178 WeakPolarHBondContact O-CA 3.41Å
1179	V	85.2	Confident	71.2	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.3	179.8	-68.4	0	0	0	0	112	C1141 D1143 C1162 Q1164 V1166 V1168 C1183 Y1184 L1187	C1141-V1179 VanDerWaalsContact SG-CA 3.6Å; D1143-V1179 HydrophobicContact CB-CG1 4.19Å; C1162-V1179 CarbonylContact C-O 3.32Å; C1162-V1179 VanDerWaalsContact CA-O 3.23Å; C1162-V1179 WeakPolarHBondContact CA-O 3.35Å; Q1164-V1179 HydrophobicContact CB-CG2 4.27Å; Q1164-V1179 PolarHBondContact O-N 2.71Å; V1166-V1179 HydrophobicContact CG1-CG1 4.08Å; V1166-V1179 HydrophobicContact CG1-CG2 3.72Å; V1168-V1179 HydrophobicContact CG2-CG1 4.43Å; V1179-C1183 HydrophobicContact CB-CB 4.06Å; V1179-C1183 HydrophobicContact CG1-CB 4.49Å; V1179-Y1184 HydrophobicContact CG2-CD2 3.97Å; V1179-Y1184 HydrophobicContact CG2-CG 4.38Å; V1179-L1187 HydrophobicContact CG1-CD1 4.49Å
1180	C	87.3	Confident	70.5	Confident	8 Å²	8	79.3 Å²	79.3	5%	0.054	42%	0.417	C	S	.	.			trans	-72.7	162.4	170.3	82.7	0	0	0	0	111	C1141 F1157 S1182 C1183 Y1184	C1141-C1180 HydrophobicContact CB-CB 4.19Å; C1141-C1180 PolarHBondContact SG-N 2.86Å; F1157-C1180 HydrophobicContact CD1-CB 4.22Å; F1157-C1180 HydrophobicContact CD2-CB 4.1Å; F1157-C1180 HydrophobicContact CE1-CB 3.85Å; F1157-C1180 HydrophobicContact CE2-CB 3.75Å; F1157-C1180 HydrophobicContact CG-CB 4.33Å; F1157-C1180 HydrophobicContact CZ-CB 3.6Å; C1180-S1182 PolarHBondContact O-N 3.31Å; C1180-C1183 PolarHBondContact O-N 2.58Å; C1180-C1183 PolarHBondContact SG-N 3.08Å; C1180-Y1184 WeakPolarHBondContact O-CB 3.17Å; C1180-Y1184 PolarHBondContact O-N 3.12Å
1181	K	81.1	Confident	70	Confident	112 Å²	112	82.5 Å²	82.5	49%	0.487	44%	0.44	S	S	.	.	H	α-helix	trans	-59.8	-29.6	-179	-68.3	174.8	-175.4	171.2	0	114.1	S1160 C1161 S1185	S1160-K1181 WeakPolarHBondContact O-CE 3.1Å; S1160-K1181 PolarHBondContact O-NZ 2.77Å; S1160-K1181 VanDerWaalsContact O-NZ 3.16Å; C1161-K1181 PolarHBondContact O-N 2.65Å; K1181-S1185 PolarHBondContact O-N 3.22Å; K1181-S1185 PolarHBondContact O-OG 3.35Å
1182	S	79.5	Confident	69.5	Low	86 Å²	86	83.5 Å²	83.5	60%	0.601	46%	0.455	S	S	*	.	H	α-helix	trans	-68.2	-59.1	176.6	-155.5	0	0	0	0	110.3	C1180 Y1184 S1185 S1186	C1180-S1182 PolarHBondContact O-N 3.31Å; S1182-Y1184 VanDerWaalsContact C-N 3.27Å; S1182-Y1184 PolarHBondContact O-N 3.16Å; S1182-S1185 WeakPolarHBondContact O-CA 3.29Å; S1182-S1185 WeakPolarHBondContact O-CB 3.41Å; S1182-S1185 PolarHBondContact O-N 3.28Å; S1182-S1186 PolarHBondContact O-N 2.72Å; S1182-S1186 PolarHBondContact O-OG 2.7Å
1183	C	80.5	Confident	68.7	Low	13 Å²	13	81.6 Å²	81.6	9%	0.088	46%	0.459	C	S	.	.	H	α-helix	trans	-55	-38.3	176.1	-68.1	0	0	0	0	113.2	C1141 D1143 C1153 V1179 C1180 S1185 S1186 L1187	C1141-C1183 VanDerWaalsContact SG-SG 3.61Å; D1143-C1183 HydrophobicContact CB-CB 3.62Å; D1143-C1183 WeakPolarHBondContact OD2-CA 3.42Å; D1143-C1183 WeakPolarHBondContact OD2-CB 3.44Å; D1143-C1183 PolarHBondContact OD2-SG 2.62Å; C1153-C1183 VanDerWaalsContact SG-SG 3.65Å; V1179-C1183 HydrophobicContact CB-CB 4.06Å; V1179-C1183 HydrophobicContact CG1-CB 4.49Å; C1180-C1183 PolarHBondContact O-N 2.58Å; C1180-C1183 PolarHBondContact SG-N 3.08Å; C1183-S1185 VanDerWaalsContact C-N 3.25Å; C1183-S1185 PolarHBondContact O-N 3.31Å; C1183-S1186 PolarHBondContact O-N 3.08Å; C1183-L1187 WeakPolarHBondContact O-CB 3.44Å; C1183-L1187 WeakPolarHBondContact O-CG 3.31Å; C1183-L1187 PolarHBondContact O-N 3.43Å
1184	Y	81.7	Confident	67.4	Low	45 Å²	45	86.6 Å²	86.6	18%	0.176	48%	0.484	C	S	.	.	H	α-helix	trans	-63.1	-30.3	173.9	-171	-110.5	0	0	0	114.1	Q1164 K1165 V1166 V1179 C1180 S1182 R1188	Q1164-Y1184 HydrophobicContact CB-CD1 3.91Å; Q1164-Y1184 HydrophobicContact CB-CD2 3.54Å; Q1164-Y1184 HydrophobicContact CB-CE1 4.41Å; Q1164-Y1184 HydrophobicContact CB-CE2 4.1Å; Q1164-Y1184 HydrophobicContact CB-CG 3.42Å; Q1164-Y1184 VanDerWaalsContact CB-CG 3.42Å; Q1164-Y1184 HydrophobicContact CG-CD1 3.7Å; Q1164-Y1184 HydrophobicContact CG-CD2 4.3Å; Q1164-Y1184 HydrophobicContact CG-CE1 4.26Å; Q1164-Y1184 HydrophobicContact CG-CG 3.71Å; K1165-Y1184 VanDerWaalsContact O-CE2 3.25Å; K1165-Y1184 WeakPolarHBondContact O-CE2 3.41Å; V1166-Y1184 HydrophobicContact CB-CD2 3.89Å; V1166-Y1184 HydrophobicContact CB-CE2 3.93Å; V1166-Y1184 HydrophobicContact CG1-CD2 4.21Å; V1179-Y1184 HydrophobicContact CG2-CD2 3.97Å; V1179-Y1184 HydrophobicContact CG2-CG 4.38Å; C1180-Y1184 WeakPolarHBondContact O-CB 3.17Å; C1180-Y1184 PolarHBondContact O-N 3.12Å; S1182-Y1184 VanDerWaalsContact C-N 3.27Å; S1182-Y1184 PolarHBondContact O-N 3.16Å; Y1184-R1188 VanDerWaalsContact CE1-NE 3.33Å; Y1184-R1188 VanDerWaalsContact CZ-NE 3.32Å; Y1184-R1188 WeakPolarHBondContact O-CG 3.37Å; Y1184-R1188 PolarHBondContact OH-NE 3.45Å; Y1184-R1188 VanDerWaalsContact OH-NE 3.14Å; Y1184-R1188 PolarHBondContact OH-NH2 3.12Å
1185	S	74.4	Confident	65.8	Low	86 Å²	86	86.8 Å²	86.8	60%	0.601	49%	0.492	S	S	*	.	H	α-helix	trans	-80.4	-35.9	177.3	-52.4	0	0	0	0	110.9	K1181 S1182 C1183	K1181-S1185 PolarHBondContact O-N 3.22Å; K1181-S1185 PolarHBondContact O-OG 3.35Å; S1182-S1185 WeakPolarHBondContact O-CA 3.29Å; S1182-S1185 WeakPolarHBondContact O-CB 3.41Å; S1182-S1185 PolarHBondContact O-N 3.28Å; C1183-S1185 VanDerWaalsContact C-N 3.25Å; C1183-S1185 PolarHBondContact O-N 3.31Å
1186	S	70.2	Confident	64.2	Low	53 Å²	53	85.5 Å²	85.5	37%	0.371	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-44.8	173.9	-62.3	0	0	0	0	113.5	S1182 C1183 R1188	S1182-S1186 PolarHBondContact O-N 2.72Å; S1182-S1186 PolarHBondContact O-OG 2.7Å; C1183-S1186 PolarHBondContact O-N 3.08Å; S1186-R1188 PolarHBondContact O-N 2.76Å
1187	L	70	Confident	62.1	Low	36 Å²	36	90 Å²	90	19%	0.188	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	5.7	-177.5	-68.9	177.5	0	0	0	114.1	D1143 V1166 V1168 V1179 C1183	D1143-L1187 HydrophobicContact CB-CD1 3.94Å; V1166-L1187 HydrophobicContact CG1-CB 3.99Å; V1166-L1187 HydrophobicContact CG1-CD1 3.57Å; V1166-L1187 HydrophobicContact CG1-CG 4.46Å; V1166-L1187 HydrophobicContact CG2-CB 4.19Å; V1168-L1187 HydrophobicContact CG2-CD1 4.12Å; V1179-L1187 HydrophobicContact CG1-CD1 4.49Å; C1183-L1187 WeakPolarHBondContact O-CB 3.44Å; C1183-L1187 WeakPolarHBondContact O-CG 3.31Å; C1183-L1187 PolarHBondContact O-N 3.43Å
1188	R	65.5	Low	59.9	Low	150 Å²	150	97 Å²	97	57%	0.566	54%	0.541	S	S	*	.	S	Bend	trans	-95.7	115.9	170.7	-90.1	-178.6	165	-130.9	0.3	109.3	Y1184 S1186 T1190	Y1184-R1188 VanDerWaalsContact CE1-NE 3.33Å; Y1184-R1188 VanDerWaalsContact CZ-NE 3.32Å; Y1184-R1188 WeakPolarHBondContact O-CG 3.37Å; Y1184-R1188 PolarHBondContact OH-NE 3.45Å; Y1184-R1188 VanDerWaalsContact OH-NE 3.14Å; Y1184-R1188 PolarHBondContact OH-NH2 3.12Å; S1186-R1188 PolarHBondContact O-N 2.76Å; R1188-T1190 PolarHBondContact O-N 2.99Å
1189	P	54.9	Low	57.3	Low	123 Å²	123	99.9 Å²	99.9	80%	0.799	56%	0.563	S	S	*	*			trans	-56.7	135.8	171.4	-23.9	34	0	0	0	111.2	S1191	P1189-S1191 PolarHBondContact O-N 3.46Å
1190	T	41.9	Very low	54.9	Low	129 Å²	129	109 Å²	109	79%	0.791	60%	0.603	S	S	*	*			trans	-63.2	125.2	165.3	41.4	0	0	0	0	109.2	R1188 S1192	R1188-T1190 PolarHBondContact O-N 2.99Å; T1190-S1192 PolarHBondContact O-N 3.23Å
1191	S	43.7	Very low	52.9	Low	128 Å²	128	114.4 Å²	114.4	90%	0.895	64%	0.637	S	S	*	*	S	Bend	trans	-73.6	86.6	-167.6	56.2	0	0	0	0	113.2	P1189	P1189-S1191 PolarHBondContact O-N 3.46Å
1192	S	42.3	Very low	50.5	Low	91 Å²	91	117.1 Å²	117.1	64%	0.636	66%	0.655	S	S	*	*			trans	-153.7	103.9	168.2	57.4	0	0	0	0	110.9	T1190	T1190-S1192 PolarHBondContact O-N 3.23Å
1193	S	40	Very low	48.3	Very low	118 Å²	118	117.3 Å²	117.3	83%	0.825	66%	0.663	S	S	*	*	S	Bend	trans	63.2	136.6	-167.3	77.5	0	0	0	0	114.1
1194	I	35.3	Very low	46.3	Very low	159 Å²	159	121.5 Å²	121.5	82%	0.815	70%	0.698	S	S	*	*			cis	-116.1	129.5	-2.1	-64.1	170.1	0	0	0	108.3
1195	D	33.9	Very low	43.8	Very low	157 Å²	157	125.8 Å²	125.8	84%	0.84	73%	0.729	S	S	*	*			trans	-138.4	143.2	168.8	-151.7	-11	0	0	0	106
1196	L	36.8	Very low	41.9	Very low	136 Å²	136	126.5 Å²	126.5	71%	0.712	73%	0.734	S	S	*	*			trans	99.7	131.8	-152.3	-67.2	164.3	0	0	0	113.2
1197	E	34.2	Very low	40.2	Very low	161 Å²	161	135 Å²	135	75%	0.752	78%	0.775	S	S	*	*			cis	-164.8	128.3	-18.1	-153.6	177.3	-145.3	0	0	108.8
1198	L	33.1	Very low	38.7	Very low	156 Å²	156	139.9 Å²	139.9	82%	0.817	80%	0.804	S	S	*	*			trans	162	116.7	135.1	-109.6	68.4	0	0	0	112.5
1199	D	32.8	Very low	37.2	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	82%	0.817	S	S	*	*			trans	-71.2	126.3	149	-79.7	-60	0	0	0	110.1
1200	K	33.4	Very low	36.3	Very low	191 Å²	191	140.3 Å²	140.3	83%	0.83	82%	0.818	S	S	*	*				174.3	152.7	121.9	-94.5	153	-171.1	166.6	0	113.5
1201	P	46.7	Very low	35.9	Very low	121 Å²	121	140.9 Å²	140.9	79%	0.786	82%	0.82	S	S	*	*			trans	-78	150.7	177.4	33.5	-35.5	0	0	0	112.1
1202	I	30.2	Very low	35.5	Very low	169 Å²	169	141.8 Å²	141.8	87%	0.867	82%	0.815	S	S	*	*			trans	-124.3	137.6	164.7	-61.9	-178.5	0	0	0	107.8
1203	A	32	Very low	35	Very low	91 Å²	91	145.1 Å²	145.1	75%	0.752	83%	0.827	S	S	*	*			trans	-81.2	170.8	-174.8	0	0	0	0	0	112.8
1204	A	38.5	Very low	34.6	Very low	100 Å²	100	147.1 Å²	147.1	83%	0.826	83%	0.827	S	S	*	*			trans	-66.9	146.2	179.2	0	0	0	0	0	113.6
1205	T	30.1	Very low	34.6	Very low	136 Å²	136	146.2 Å²	146.2	83%	0.834	83%	0.828	S	S	*	*			trans	-135.2	146.9	154.4	50	0	0	0	0	108.4
1206	S	34.1	Very low	34.6	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	83%	0.827	S	S	*	*			trans	-67.9	151.9	175.4	59.2	0	0	0	0	112
1207	N	33.8	Very low	34.4	Very low	230 Å²	230	146.1 Å²	146.1	100%	1.23	84%	0.837	S	S	*	*				-163.5	0	102.1	-82.5	-15.1	0	0	0	110.2

Retrieved 1,207 of 1,207 residues in 983.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).