A0A077ZI10_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077ZI10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,177 aa.

						>A0A077ZI10_TRITR|A0A077ZI10
MEEIKQLQYISLVSKICTDLENHLGINDKDLAEFIIDLAKRNPTLEGFKNALAENGAEFDDSLSSSLLRRVKLMTNLDGASSGQIPAEDKALTAGLSLASETDREIMKQKLPALAMPNEPVKKLMNELDDLFSKWKGNVENAASNGDVKESVDRKDDFSTKRRKDRKESDTSSRRRKRSSSRSAERHKRRRSRSSDNRKRRRRSRSRRRAPQLDSEPLEGKIYDGCVTGIREFGCFVELIGLLKRFEGLVHISQLKNARVTSVSDVVRRRQKVKVKVLKFYGSRVSLSMKEVDQDTGEDLNPGRIAQEKVLDDDAHFRNPDLPGILSKAIQDEKDEDNAMNRTKYSKRLSSPERWELKQMMAASCISIAELPDFDEDMGILKEEADDDDEDIEIELVEEEAPFLQGYGRMCQDLEPVKVVKNPDGSLAQAAMMQGALAKERREQKIQQQREQEDSVAPPNVRRSFLDPMADAGTKYSKVLDSERKHDLPEWKRHITGGRSYGKPRTMMSILEQRQSLPIYKLKDELVRAVNENQILIVIGETGSGKTTQITQYLSEEGYIRFGRIGCTQPRRVAAMSVAKRVSEEYGCRLGQEVGYTIRFEDCTSPETVIKYMTDGMMLRECLLDPDLGSYSVIMLDEAHERTIHTDVLFGLCKQAVTKRPNLKLIVTSATLDAVKFSQYFFAAPIFTIPGRTFPVEIMYTREPETDYLDASLITVMQIHLTEPPGDILVFLTGQEEIDTACEILFERMKSLGPDVPELIILPVYSALPSEMQTRIFEPAPPGSRKVVIATNIAETSLTIDGIFYVVDPGFVKQKIYNPKTGMDSLVVSPISQAQAKQRAGRAGRTGPGKCYRLYTERAYRDEMLPSPVPEIQRTNLASTLLQLKAMGINNLIDFDFMDPPPMEAMIMALEQLHSLSALDDEGLLTRLGRRMAEFPLEPTLSKLLIISVHLGCSEEVLTIVSMLSVQNVFYRPKDKQELADQKKSKFHQPEGDHLTLLAVYNSWKDHRFSHAWCYENFVQIRTLKRAQDIRKQLLGIMDRHKLDMLSCGKNVQKVQKAICSGFFRNAAKKDPQEGYRTLVDSQSVYIHPSSSLFQHQPEWVVYHELVMTTKEYMREVCAVEPKWLVEFAPAFFRFGNPTKLSKFKKGQKIEPLYNKYEDVNAWRISRVKKKIYNPNR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51	Low	74.6	Confident	162 Å²	162	108.3 Å²	108.3	80%	0.798	53%	0.525	S	S	*	.				0	-63.8	0	-93.8	-69	-100.2	0	0	110.2	E3 I4 K5	M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.49Å; M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.28Å; M1-I4 VanDerWaalsContact O-N 3.07Å; M1-K5 PolarHBondContact O-N 3.26Å
2	E	67.4	Low	75.8	Confident	159 Å²	159	100 Å²	100	74%	0.743	49%	0.485	S	S	*	.	H	α-helix	trans	-59.7	-40.5	-179.2	-65.4	175.1	123.8	0	0	113	I4 K5 Q6	E2-I4 VanDerWaalsContact C-N 3.25Å; E2-I4 PolarHBondContact O-N 3.34Å; E2-K5 CarbonylContact O-C 3.55Å; E2-K5 WeakPolarHBondContact O-CA 3.38Å; E2-K5 WeakPolarHBondContact O-CB 3.46Å; E2-K5 PolarHBondContact O-N 3.45Å; E2-Q6 WeakPolarHBondContact O-CG 3.15Å; E2-Q6 PolarHBondContact O-N 2.69Å
3	E	68.6	Low	76.8	Confident	137 Å²	137	93 Å²	93	64%	0.64	45%	0.452	S	S	*	.	H	α-helix	trans	-56.9	-37.3	174.2	-58	150.4	140.7	0	0	112.5	M1 K5 Q6 L7	M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.49Å; E3-K5 VanDerWaalsContact C-N 3.35Å; E3-Q6 PolarHBondContact O-N 3.37Å; E3-L7 WeakPolarHBondContact O-CB 3.45Å; E3-L7 VanDerWaalsContact O-CG 3.31Å; E3-L7 WeakPolarHBondContact O-CG 3.22Å; E3-L7 PolarHBondContact O-N 3.17Å
4	I	73.3	Confident	77.5	Confident	94 Å²	94	91.2 Å²	91.2	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-67.9	-39	177.9	-58.2	173.7	0	0	0	109.7	M1 E2 L7 Q8	M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.28Å; M1-I4 VanDerWaalsContact O-N 3.07Å; E2-I4 VanDerWaalsContact C-N 3.25Å; E2-I4 PolarHBondContact O-N 3.34Å; I4-L7 PolarHBondContact O-N 3.12Å; I4-Q8 WeakPolarHBondContact O-CB 3.11Å; I4-Q8 VanDerWaalsContact O-CG 3.27Å; I4-Q8 WeakPolarHBondContact O-CG 3.44Å; I4-Q8 PolarHBondContact O-N 3.1Å
5	K	73.2	Confident	78	Confident	87 Å²	87	91.4 Å²	91.4	38%	0.378	45%	0.451	S	S	.	.	H	α-helix	trans	-68.5	-37.3	174.5	-61.2	-162.9	178.7	-156.3	0	112.1	M1 E2 E3 Q8 Y9 D78	M1-K5 PolarHBondContact O-N 3.26Å; E2-K5 CarbonylContact O-C 3.55Å; E2-K5 WeakPolarHBondContact O-CA 3.38Å; E2-K5 WeakPolarHBondContact O-CB 3.46Å; E2-K5 PolarHBondContact O-N 3.45Å; E3-K5 VanDerWaalsContact C-N 3.35Å; K5-Q8 PolarHBondContact O-N 3.35Å; K5-Y9 WeakPolarHBondContact O-CB 3.41Å; K5-Y9 PolarHBondContact O-N 3.17Å; K5-D78 WeakPolarHBondContact CE-OD1 3.43Å; K5-D78 IonicContact NZ-OD1 2.68Å; K5-D78 PolarHBondContact NZ-OD1 3Å; K5-D78 IonicContact NZ-OD2 3.17Å; K5-D78 PolarHBondContact NZ-OD2 3.21Å
6	Q	76.3	Confident	78.6	Confident	126 Å²	126	85.7 Å²	85.7	59%	0.589	42%	0.423	S	S	*	.	H	α-helix	trans	-63.2	-45.7	172.5	-70.2	176.5	-2.9	0	0	111.2	E2 E3 Q8 Y9 I10	E2-Q6 WeakPolarHBondContact O-CG 3.15Å; E2-Q6 PolarHBondContact O-N 2.69Å; E3-Q6 PolarHBondContact O-N 3.37Å; Q6-Q8 PolarHBondContact O-N 2.97Å; Q6-Y9 PolarHBondContact O-N 2.81Å; Q6-I10 VanDerWaalsContact O-CG1 3.27Å; Q6-I10 WeakPolarHBondContact O-CG1 3.47Å; Q6-I10 PolarHBondContact O-N 3.5Å
7	L	77.2	Confident	79.1	Confident	117 Å²	117	81.3 Å²	81.3	61%	0.613	40%	0.402	S	S	*	.	H	α-helix	trans	-62.6	-40.6	175.1	-73.3	167.6	0	0	0	112.6	E3 I4 I10 S11	E3-L7 WeakPolarHBondContact O-CB 3.45Å; E3-L7 VanDerWaalsContact O-CG 3.31Å; E3-L7 WeakPolarHBondContact O-CG 3.22Å; E3-L7 PolarHBondContact O-N 3.17Å; I4-L7 PolarHBondContact O-N 3.12Å; L7-I10 PolarHBondContact O-N 3.06Å; L7-S11 WeakPolarHBondContact O-CB 3.41Å; L7-S11 PolarHBondContact O-N 3.36Å
8	Q	78.2	Confident	79.5	Confident	72 Å²	72	80.4 Å²	80.4	34%	0.336	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-40.6	173.3	-75.9	170.6	-13.8	0	0	112.1	I4 K5 Q6 S11 L12 M74	I4-Q8 WeakPolarHBondContact O-CB 3.11Å; I4-Q8 VanDerWaalsContact O-CG 3.27Å; I4-Q8 WeakPolarHBondContact O-CG 3.44Å; I4-Q8 PolarHBondContact O-N 3.1Å; K5-Q8 PolarHBondContact O-N 3.35Å; Q6-Q8 PolarHBondContact O-N 2.97Å; Q8-S11 PolarHBondContact O-N 2.94Å; Q8-L12 WeakPolarHBondContact O-CB 3.44Å; Q8-L12 PolarHBondContact O-N 3.04Å; Q8-M74 WeakPolarHBondContact O-CE 3.48Å
9	Y	84.1	Confident	79.7	Confident	84 Å²	84	76.5 Å²	76.5	33%	0.329	38%	0.383	S	S	.	.	H	α-helix	trans	-67.6	-43.9	176.1	-177.6	-109.8	0	0	0	112.2	K5 Q6 S11 L12 V13 E33 I36	K5-Y9 WeakPolarHBondContact O-CB 3.41Å; K5-Y9 PolarHBondContact O-N 3.17Å; Q6-Y9 PolarHBondContact O-N 2.81Å; Y9-S11 VanDerWaalsContact C-N 3.3Å; Y9-S11 PolarHBondContact O-N 2.81Å; Y9-L12 WeakPolarHBondContact O-CB 3.09Å; Y9-L12 PolarHBondContact O-N 3.07Å; Y9-L12 VanDerWaalsContact O-N 3.1Å; Y9-V13 HydrophobicContact CD1-CG2 4.46Å; Y9-V13 HydrophobicContact CE1-CG2 4.12Å; Y9-V13 HydrophobicContact CE2-CG2 4.34Å; Y9-V13 WeakPolarHBondContact O-CG2 3.38Å; Y9-V13 PolarHBondContact O-N 3.29Å; Y9-E33 WeakPolarHBondContact OH-CG 3.48Å; Y9-I36 HydrophobicContact CE2-CD1 4.35Å; Y9-I36 HydrophobicContact CE2-CG2 4.19Å
10	I	85.7	Confident	80	Confident	108 Å²	108	72.7 Å²	72.7	55%	0.554	36%	0.363	S	S	*	.	H	α-helix	trans	-61.2	-40.2	174.2	-67.8	162.6	0	0	0	110.7	Q6 L7 L12 V13 S14	Q6-I10 VanDerWaalsContact O-CG1 3.27Å; Q6-I10 WeakPolarHBondContact O-CG1 3.47Å; Q6-I10 PolarHBondContact O-N 3.5Å; L7-I10 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-V13 PolarHBondContact O-N 2.82Å; I10-S14 WeakPolarHBondContact O-CB 3.36Å; I10-S14 PolarHBondContact O-N 3.05Å
11	S	86.2	Confident	80.2	Confident	45 Å²	45	73.8 Å²	73.8	32%	0.315	37%	0.367	S	S	.	.	H	α-helix	trans	-65.8	-34.6	174.1	-171.3	0	0	0	0	112.9	L7 Q8 Y9 K15	L7-S11 WeakPolarHBondContact O-CB 3.41Å; L7-S11 PolarHBondContact O-N 3.36Å; Q8-S11 PolarHBondContact O-N 2.94Å; Y9-S11 VanDerWaalsContact C-N 3.3Å; Y9-S11 PolarHBondContact O-N 2.81Å; S11-K15 WeakPolarHBondContact O-CB 3.24Å; S11-K15 WeakPolarHBondContact O-CD 3.37Å; S11-K15 VanDerWaalsContact O-CG 3.23Å; S11-K15 WeakPolarHBondContact O-CG 3.19Å; S11-K15 PolarHBondContact O-N 2.97Å; S11-K15 VanDerWaalsContact O-N 3.12Å
12	L	88.3	Confident	81.8	Confident	9 Å²	9	71.9 Å²	71.9	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-48.9	174	178.3	67.1	0	0	0	111.5	Q8 Y9 I10 K15 I16 I36 V71 M74	Q8-L12 WeakPolarHBondContact O-CB 3.44Å; Q8-L12 PolarHBondContact O-N 3.04Å; Y9-L12 WeakPolarHBondContact O-CB 3.09Å; Y9-L12 PolarHBondContact O-N 3.07Å; Y9-L12 VanDerWaalsContact O-N 3.1Å; I10-L12 VanDerWaalsContact C-N 3.35Å; L12-K15 PolarHBondContact O-N 2.86Å; L12-I16 HydrophobicContact CD1-CD1 4Å; L12-I16 HydrophobicContact CG-CD1 4.21Å; L12-I16 WeakPolarHBondContact O-CG1 3.36Å; L12-I16 PolarHBondContact O-N 3.41Å; L12-I16 VanDerWaalsContact O-N 3.17Å; L12-I36 HydrophobicContact CD2-CD1 3.87Å; L12-I36 HydrophobicContact CD2-CG1 3.98Å; L12-I36 HydrophobicContact CD2-CG2 3.9Å; L12-I36 HydrophobicContact CG-CD1 3.8Å; L12-I36 HydrophobicContact CG-CG1 4.13Å; L12-V71 HydrophobicContact CD1-CG2 4.38Å; L12-M74 HydrophobicContact CB-CE 3.92Å; L12-M74 HydrophobicContact CD1-CB 3.93Å; L12-M74 HydrophobicContact CD1-CG 3.96Å
13	V	88.8	Confident	82.4	Confident	9 Å²	9	69.4 Å²	69.4	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-52.5	177.4	174.1	0	0	0	0	110.2	Y9 I10 K15 I16 C17 K29 A32 E33 I36	Y9-V13 HydrophobicContact CD1-CG2 4.46Å; Y9-V13 HydrophobicContact CE1-CG2 4.12Å; Y9-V13 HydrophobicContact CE2-CG2 4.34Å; Y9-V13 WeakPolarHBondContact O-CG2 3.38Å; Y9-V13 PolarHBondContact O-N 3.29Å; I10-V13 PolarHBondContact O-N 2.82Å; V13-K15 PolarHBondContact O-N 2.94Å; V13-I16 PolarHBondContact O-N 2.89Å; V13-C17 PolarHBondContact O-N 2.89Å; V13-C17 PolarHBondContact O-SG 2.58Å; V13-C17 VanDerWaalsContact O-SG 3.35Å; V13-K29 HydrophobicContact CG1-CG 3.81Å; V13-A32 HydrophobicContact CG1-CB 4.2Å; V13-E33 HydrophobicContact CG1-CG 4.22Å; V13-E33 HydrophobicContact CG2-CG 3.67Å; V13-I36 HydrophobicContact CB-CD1 4.39Å; V13-I36 HydrophobicContact CG2-CD1 3.57Å
14	S	86.2	Confident	82.9	Confident	68 Å²	68	66.5 Å²	66.5	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-55.4	-45.9	179	170.9	0	0	0	0	112.7	I10 I16 C17 T18	I10-S14 WeakPolarHBondContact O-CB 3.36Å; I10-S14 PolarHBondContact O-N 3.05Å; S14-I16 VanDerWaalsContact C-N 3.27Å; S14-I16 PolarHBondContact O-N 3.45Å; S14-C17 PolarHBondContact O-N 2.92Å; S14-T18 PolarHBondContact O-N 2.89Å; S14-T18 PolarHBondContact O-OG1 2.88Å
15	K	85.5	Confident	83.2	Confident	94 Å²	94	65 Å²	65	41%	0.409	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-27.9	177.9	-74.1	171.8	-175.6	177.1	0	113.8	S11 L12 V13 D19 M74	S11-K15 WeakPolarHBondContact O-CB 3.24Å; S11-K15 WeakPolarHBondContact O-CD 3.37Å; S11-K15 VanDerWaalsContact O-CG 3.23Å; S11-K15 WeakPolarHBondContact O-CG 3.19Å; S11-K15 PolarHBondContact O-N 2.97Å; S11-K15 VanDerWaalsContact O-N 3.12Å; L12-K15 PolarHBondContact O-N 2.86Å; V13-K15 PolarHBondContact O-N 2.94Å; K15-D19 PolarHBondContact O-N 3.48Å; K15-M74 HydrophobicContact CD-CE 4.49Å
16	I	87.1	Confident	83.5	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-80.9	-39.5	176.7	-72.2	170	0	0	0	110.4	L12 V13 S14 T18 D19 L20 A32 I35 I36 L67 V71	L12-I16 HydrophobicContact CD1-CD1 4Å; L12-I16 HydrophobicContact CG-CD1 4.21Å; L12-I16 WeakPolarHBondContact O-CG1 3.36Å; L12-I16 PolarHBondContact O-N 3.41Å; L12-I16 VanDerWaalsContact O-N 3.17Å; V13-I16 PolarHBondContact O-N 2.89Å; S14-I16 VanDerWaalsContact C-N 3.27Å; S14-I16 PolarHBondContact O-N 3.45Å; I16-T18 VanDerWaalsContact C-N 3.28Å; I16-T18 PolarHBondContact O-N 2.9Å; I16-D19 PolarHBondContact O-N 2.69Å; I16-D19 VanDerWaalsContact O-N 3.13Å; I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.34Å; I16-L20 PolarHBondContact O-N 2.98Å; I16-A32 HydrophobicContact CB-CB 4.26Å; I16-A32 HydrophobicContact CG2-CB 3.75Å; I16-I35 HydrophobicContact CG2-CG2 4.43Å; I16-I36 HydrophobicContact CD1-CD1 3.96Å; I16-I36 HydrophobicContact CD1-CG1 3.46Å; I16-I36 VanDerWaalsContact CD1-CG1 3.46Å; I16-L67 HydrophobicContact CG1-CD2 4.17Å; I16-L67 HydrophobicContact CG2-CD2 4.05Å; I16-V71 HydrophobicContact CD1-CG2 3.97Å
17	C	87.6	Confident	83.8	Confident	11 Å²	11	63.4 Å²	63.4	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-55.8	-43.7	169	-60.8	0	0	0	0	111.3	V13 S14 D19 L20 E21 D28 A32	V13-C17 PolarHBondContact O-N 2.89Å; V13-C17 PolarHBondContact O-SG 2.58Å; V13-C17 VanDerWaalsContact O-SG 3.35Å; S14-C17 PolarHBondContact O-N 2.92Å; C17-D19 VanDerWaalsContact C-N 3.34Å; C17-D19 PolarHBondContact O-N 2.82Å; C17-L20 PolarHBondContact O-N 2.9Å; C17-E21 WeakPolarHBondContact O-CB 3.48Å; C17-E21 PolarHBondContact O-N 3.02Å; C17-D28 PolarHBondContact SG-O 2.83Å; C17-A32 VanDerWaalsContact SG-CB 3.52Å
18	T	85.9	Confident	84.1	Confident	65 Å²	65	61.1 Å²	61.1	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-35.7	176.1	-50.5	0	0	0	0	113.1	S14 I16 N22	S14-T18 PolarHBondContact O-N 2.89Å; S14-T18 PolarHBondContact O-OG1 2.88Å; I16-T18 VanDerWaalsContact C-N 3.28Å; I16-T18 PolarHBondContact O-N 2.9Å; T18-N22 WeakPolarHBondContact O-CB 3.29Å; T18-N22 VanDerWaalsContact O-CG 3.27Å; T18-N22 PolarHBondContact O-N 3.21Å; T18-N22 PolarHBondContact O-ND2 3.5Å
19	D	83.6	Confident	84.5	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.032	34%	0.339	C	S	.	.	H	α-helix	trans	-70.1	-41.2	174.8	-79.3	-11.7	0	0	0	112.2	K15 I16 C17 E21 N22 H23 L67 R70	K15-D19 PolarHBondContact O-N 3.48Å; I16-D19 PolarHBondContact O-N 2.69Å; I16-D19 VanDerWaalsContact O-N 3.13Å; C17-D19 VanDerWaalsContact C-N 3.34Å; C17-D19 PolarHBondContact O-N 2.82Å; D19-E21 VanDerWaalsContact C-N 3.34Å; D19-N22 PolarHBondContact O-N 2.96Å; D19-H23 WeakPolarHBondContact O-CB 3.38Å; D19-H23 PolarHBondContact O-CD2 3.38Å; D19-H23 PolarHBondContact O-N 2.86Å; D19-L67 HydrophobicContact CB-CD2 4.28Å; D19-R70 VanDerWaalsContact CG-NH2 3.34Å; D19-R70 IonicContact OD1-CZ 2.76Å; D19-R70 IonicContact OD1-NH1 3.23Å; D19-R70 PolarHBondContact OD1-NH1 2.73Å; D19-R70 IonicContact OD1-NH2 3.76Å; D19-R70 PolarHBondContact OD1-NH2 3.41Å; D19-R70 VanDerWaalsContact OD2-CD 3.3Å; D19-R70 WeakPolarHBondContact OD2-CD 3.44Å; D19-R70 IonicContact OD2-CZ 3.25Å; D19-R70 IonicContact OD2-NE 3.57Å; D19-R70 PolarHBondContact OD2-NE 3.05Å; D19-R70 VanDerWaalsContact OD2-NE 3.14Å; D19-R70 IonicContact OD2-NH1 3.38Å; D19-R70 PolarHBondContact OD2-NH1 2.9Å; D19-R70 IonicContact OD2-NH2 2.84Å; D19-R70 PolarHBondContact OD2-NH2 3.21Å; D19-R70 VanDerWaalsContact OD2-NH2 3.17Å
20	L	85.1	Confident	84.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66	-37.5	176.8	-65.2	167.6	0	0	0	111.5	I16 C17 L24 G25 I26 L31 A32 I35 F59	I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.34Å; I16-L20 PolarHBondContact O-N 2.98Å; C17-L20 PolarHBondContact O-N 2.9Å; L20-L24 HydrophobicContact CD2-CD1 3.94Å; L20-L24 CarbonylContact O-C 3.55Å; L20-L24 WeakPolarHBondContact O-CA 3.21Å; L20-L24 WeakPolarHBondContact O-CB 3.31Å; L20-L24 PolarHBondContact O-N 3.11Å; L20-G25 PolarHBondContact O-N 2.75Å; L20-G25 VanDerWaalsContact O-N 3.11Å; L20-I26 CarbonylContact C-O 3.58Å; L20-I26 VanDerWaalsContact CB-O 3.25Å; L20-I26 WeakPolarHBondContact CB-O 2.86Å; L20-I26 PolarHBondContact O-N 3.35Å; L20-L31 HydrophobicContact CD1-CD2 4.23Å; L20-L31 HydrophobicContact CD1-CG 4.28Å; L20-A32 HydrophobicContact CD1-CB 4.33Å; L20-I35 HydrophobicContact CD1-CD1 4.02Å; L20-I35 HydrophobicContact CD2-CD1 3.91Å; L20-F59 HydrophobicContact CD2-CZ 4.31Å
21	E	86	Confident	84.5	Confident	96 Å²	96	61.3 Å²	61.3	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-46.3	173.5	-172.7	163.9	-133	0	0	111.3	C17 D19 H23 G25 I26 N27	C17-E21 WeakPolarHBondContact O-CB 3.48Å; C17-E21 PolarHBondContact O-N 3.02Å; D19-E21 VanDerWaalsContact C-N 3.34Å; E21-H23 PolarHBondContact O-N 3.19Å; E21-G25 WeakPolarHBondContact O-CA 3.37Å; E21-G25 PolarHBondContact O-N 3.06Å; E21-I26 PolarHBondContact N-O 2.88Å; E21-N27 VanDerWaalsContact CD-ND2 3.31Å; E21-N27 PolarHBondContact OE1-ND2 3.32Å; E21-N27 PolarHBondContact OE2-ND2 3.48Å
22	N	83	Confident	84.6	Confident	122 Å²	122	59.1 Å²	59.1	65%	0.652	32%	0.322	S	S	*	.	H	α-helix	trans	-64.6	-36	178.1	-80	-48.3	0	0	0	114.3	T18 D19	T18-N22 WeakPolarHBondContact O-CB 3.29Å; T18-N22 VanDerWaalsContact O-CG 3.27Å; T18-N22 PolarHBondContact O-N 3.21Å; T18-N22 PolarHBondContact O-ND2 3.5Å; D19-N22 PolarHBondContact O-N 2.96Å
23	H	80	Confident	84.6	Confident	107 Å²	107	61.4 Å²	61.4	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-101.3	-26.6	-173.8	-76.9	-86.4	0	0	0	114.8	D19 E21 L63	D19-H23 WeakPolarHBondContact O-CB 3.38Å; D19-H23 PolarHBondContact O-CD2 3.38Å; D19-H23 PolarHBondContact O-N 2.86Å; E21-H23 PolarHBondContact O-N 3.19Å; H23-L63 HydrophobicContact CB-CD1 4.21Å; H23-L63 HydrophobicContact CB-CD2 4.05Å
24	L	79.1	Confident	84.6	Confident	76 Å²	76	65.4 Å²	65.4	40%	0.398	35%	0.349	S	S	.	.	H	α-helix	trans	-129.6	-11.4	-172.9	-57.8	170.5	0	0	0	113.4	L20 I26 F59 L63	L20-L24 HydrophobicContact CD2-CD1 3.94Å; L20-L24 CarbonylContact O-C 3.55Å; L20-L24 WeakPolarHBondContact O-CA 3.21Å; L20-L24 WeakPolarHBondContact O-CB 3.31Å; L20-L24 PolarHBondContact O-N 3.11Å; L24-I26 HydrophobicContact CB-CD1 4.24Å; L24-I26 HydrophobicContact CB-CG1 4.24Å; L24-I26 PolarHBondContact O-N 2.92Å; L24-F59 HydrophobicContact CD1-CD1 4.09Å; L24-F59 HydrophobicContact CD1-CE1 3.51Å; L24-F59 HydrophobicContact CD1-CZ 4.11Å; L24-L63 HydrophobicContact CD1-CD2 4.37Å
25	G	80.8	Confident	84.6	Confident	63 Å²	63	62.2 Å²	62.2	65%	0.649	33%	0.327	S	S	*	.	S	Bend	trans	70.1	18.7	-174.2	0	0	0	0	0	114.1	L20 E21	L20-G25 PolarHBondContact O-N 2.75Å; L20-G25 VanDerWaalsContact O-N 3.11Å; E21-G25 WeakPolarHBondContact O-CA 3.37Å; E21-G25 PolarHBondContact O-N 3.06Å
26	I	79.2	Confident	84.7	Confident	78 Å²	78	57.8 Å²	57.8	40%	0.4	31%	0.308	S	S	.	.			trans	-109.1	111.3	-177.7	-59	173.1	0	0	0	109.2	L20 E21 L24 D28 L31	L20-I26 CarbonylContact C-O 3.58Å; L20-I26 VanDerWaalsContact CB-O 3.25Å; L20-I26 WeakPolarHBondContact CB-O 2.86Å; L20-I26 PolarHBondContact O-N 3.35Å; E21-I26 PolarHBondContact N-O 2.88Å; L24-I26 HydrophobicContact CB-CD1 4.24Å; L24-I26 HydrophobicContact CB-CG1 4.24Å; L24-I26 PolarHBondContact O-N 2.92Å; I26-D28 HydrophobicContact CG2-CB 4.02Å; I26-L31 HydrophobicContact CG2-CD2 3.93Å
27	N	81.4	Confident	84.7	Confident	102 Å²	102	60.5 Å²	60.5	55%	0.545	32%	0.322	S	S	.	.			trans	-104.7	79.5	174.4	-164.3	-20.5	0	0	0	109.3	E21	E21-N27 VanDerWaalsContact CD-ND2 3.31Å; E21-N27 PolarHBondContact OE1-ND2 3.32Å; E21-N27 PolarHBondContact OE2-ND2 3.48Å
28	D	85.3	Confident	84.6	Confident	69 Å²	69	60.6 Å²	60.6	37%	0.369	32%	0.322	S	S	.	.			trans	-121.6	130.8	177.7	-178.4	3.6	0	0	0	110	C17 I26 D30 L31 A32	C17-D28 PolarHBondContact SG-O 2.83Å; I26-D28 HydrophobicContact CG2-CB 4.02Å; D28-D30 PolarHBondContact OD1-N 2.86Å; D28-L31 HydrophobicContact CB-CB 3.88Å; D28-L31 WeakPolarHBondContact OD2-CB 3.31Å; D28-A32 PolarHBondContact O-N 2.77Å
29	K	85.5	Confident	84.6	Confident	107 Å²	107	57.8 Å²	57.8	47%	0.465	31%	0.305	S	S	.	.	H	α-helix	trans	-80.7	-37.1	-179.1	-176.1	-177.8	163.6	-63.1	0	111.8	V13 A32 E33	V13-K29 HydrophobicContact CG1-CG 3.81Å; K29-A32 PolarHBondContact O-N 2.91Å; K29-E33 WeakPolarHBondContact CE-OE1 3.41Å; K29-E33 IonicContact NZ-OE1 2.77Å; K29-E33 PolarHBondContact NZ-OE1 2.79Å; K29-E33 IonicContact NZ-OE2 3.2Å; K29-E33 PolarHBondContact O-N 3.02Å
30	D	85.5	Confident	84.6	Confident	112 Å²	112	62.8 Å²	62.8	60%	0.599	33%	0.327	S	S	*	.	H	α-helix	trans	-74.4	-37.2	-175.9	-66.4	-4.7	0	0	0	109.7	D28 E33 F34	D28-D30 PolarHBondContact OD1-N 2.86Å; D30-E33 PolarHBondContact O-N 2.84Å; D30-F34 WeakPolarHBondContact O-CB 3.47Å; D30-F34 PolarHBondContact O-N 3.33Å
31	L	85.2	Confident	84.6	Confident	48 Å²	48	71.1 Å²	71.1	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-59	-42.6	167.8	-178.3	61.6	0	0	0	112.5	L20 I26 D28 F34 I35	L20-L31 HydrophobicContact CD1-CD2 4.23Å; L20-L31 HydrophobicContact CD1-CG 4.28Å; I26-L31 HydrophobicContact CG2-CD2 3.93Å; D28-L31 HydrophobicContact CB-CB 3.88Å; D28-L31 WeakPolarHBondContact OD2-CB 3.31Å; L31-F34 PolarHBondContact O-N 3.17Å; L31-I35 HydrophobicContact CD1-CD1 4.14Å; L31-I35 HydrophobicContact CG-CD1 4.03Å; L31-I35 WeakPolarHBondContact O-CB 3.4Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.26Å
32	A	87	Confident	84.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-41.2	177.2	0	0	0	0	0	112.2	V13 I16 C17 L20 D28 K29 I35 I36	V13-A32 HydrophobicContact CG1-CB 4.2Å; I16-A32 HydrophobicContact CB-CB 4.26Å; I16-A32 HydrophobicContact CG2-CB 3.75Å; C17-A32 VanDerWaalsContact SG-CB 3.52Å; L20-A32 HydrophobicContact CD1-CB 4.33Å; D28-A32 PolarHBondContact O-N 2.77Å; K29-A32 PolarHBondContact O-N 2.91Å; A32-I35 PolarHBondContact O-N 2.91Å; A32-I36 WeakPolarHBondContact O-CD1 3.4Å; A32-I36 VanDerWaalsContact O-CG1 3.26Å; A32-I36 WeakPolarHBondContact O-CG1 3.37Å; A32-I36 PolarHBondContact O-N 2.92Å
33	E	89.1	Confident	84.1	Confident	56 Å²	56	66.7 Å²	66.7	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-37.7	174.9	-71.9	-176.1	-170.5	0	0	112.4	Y9 V13 K29 D30 I36 D37	Y9-E33 WeakPolarHBondContact OH-CG 3.48Å; V13-E33 HydrophobicContact CG1-CG 4.22Å; V13-E33 HydrophobicContact CG2-CG 3.67Å; K29-E33 WeakPolarHBondContact CE-OE1 3.41Å; K29-E33 IonicContact NZ-OE1 2.77Å; K29-E33 PolarHBondContact NZ-OE1 2.79Å; K29-E33 IonicContact NZ-OE2 3.2Å; K29-E33 PolarHBondContact O-N 3.02Å; D30-E33 PolarHBondContact O-N 2.84Å; E33-I36 PolarHBondContact O-N 2.85Å; E33-D37 PolarHBondContact O-N 3.3Å; E33-D37 VanDerWaalsContact O-N 3.12Å
34	F	88	Confident	84.2	Confident	93 Å²	93	65.7 Å²	65.7	41%	0.408	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-44.6	172.8	-178.5	-113	0	0	0	112.6	D30 L31 I36 D37 L38 N55	D30-F34 WeakPolarHBondContact O-CB 3.47Å; D30-F34 PolarHBondContact O-N 3.33Å; L31-F34 PolarHBondContact O-N 3.17Å; F34-I36 VanDerWaalsContact C-N 3.31Å; F34-I36 PolarHBondContact O-N 3.08Å; F34-D37 PolarHBondContact O-N 2.91Å; F34-D37 VanDerWaalsContact O-N 3.12Å; F34-L38 HydrophobicContact CD1-CD1 4.05Å; F34-L38 HydrophobicContact CD1-CG 4.49Å; F34-L38 HydrophobicContact CE1-CD1 3.57Å; F34-L38 HydrophobicContact CE1-CG 4.17Å; F34-L38 HydrophobicContact CE2-CG 4.46Å; F34-L38 HydrophobicContact CZ-CD1 3.93Å; F34-L38 HydrophobicContact CZ-CD2 4.26Å; F34-L38 HydrophobicContact CZ-CG 4.15Å; F34-L38 PolarHBondContact O-N 3.29Å; F34-N55 HydrophobicContact CE1-CB 4.36Å; F34-N55 HydrophobicContact CZ-CB 4.46Å
35	I	87.2	Confident	84.3	Confident	2 Å²	2	66 Å²	66	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-38.1	175.8	-73.8	166.7	0	0	0	111.5	I16 L20 L31 A32 D37 L38 A39 F48 F59 L67	I16-I35 HydrophobicContact CG2-CG2 4.43Å; L20-I35 HydrophobicContact CD1-CD1 4.02Å; L20-I35 HydrophobicContact CD2-CD1 3.91Å; L31-I35 HydrophobicContact CD1-CD1 4.14Å; L31-I35 HydrophobicContact CG-CD1 4.03Å; L31-I35 WeakPolarHBondContact O-CB 3.4Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.26Å; A32-I35 PolarHBondContact O-N 2.91Å; I35-D37 VanDerWaalsContact C-N 3.33Å; I35-D37 PolarHBondContact O-N 2.95Å; I35-L38 PolarHBondContact O-N 2.89Å; I35-A39 WeakPolarHBondContact O-CB 3.48Å; I35-A39 PolarHBondContact O-N 3.34Å; I35-F48 HydrophobicContact CG2-CZ 4.27Å; I35-F59 HydrophobicContact CD1-CE2 3.99Å; I35-F59 HydrophobicContact CD1-CZ 4.16Å; I35-L67 HydrophobicContact CG2-CD1 4.32Å
36	I	88.1	Confident	84.3	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-39.9	174	-69.2	160.2	0	0	0	111.1	Y9 L12 V13 I16 A32 E33 F34 A39 K40	Y9-I36 HydrophobicContact CE2-CD1 4.35Å; Y9-I36 HydrophobicContact CE2-CG2 4.19Å; L12-I36 HydrophobicContact CD2-CD1 3.87Å; L12-I36 HydrophobicContact CD2-CG1 3.98Å; L12-I36 HydrophobicContact CD2-CG2 3.9Å; L12-I36 HydrophobicContact CG-CD1 3.8Å; L12-I36 HydrophobicContact CG-CG1 4.13Å; V13-I36 HydrophobicContact CB-CD1 4.39Å; V13-I36 HydrophobicContact CG2-CD1 3.57Å; I16-I36 HydrophobicContact CD1-CD1 3.96Å; I16-I36 HydrophobicContact CD1-CG1 3.46Å; I16-I36 VanDerWaalsContact CD1-CG1 3.46Å; A32-I36 WeakPolarHBondContact O-CD1 3.4Å; A32-I36 VanDerWaalsContact O-CG1 3.26Å; A32-I36 WeakPolarHBondContact O-CG1 3.37Å; A32-I36 PolarHBondContact O-N 2.92Å; E33-I36 PolarHBondContact O-N 2.85Å; F34-I36 VanDerWaalsContact C-N 3.31Å; F34-I36 PolarHBondContact O-N 3.08Å; I36-A39 PolarHBondContact O-N 2.58Å; I36-K40 HydrophobicContact CG2-CD 4.29Å; I36-K40 VanDerWaalsContact O-CG 3.32Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 3.04Å
37	D	86.2	Confident	84.5	Confident	58 Å²	58	67.2 Å²	67.2	31%	0.31	34%	0.337	S	S	.	.	H	α-helix	trans	-72.3	-40.4	178.5	-161.2	56.2	0	0	0	112.6	E33 F34 I35 A39 K40 R41	E33-D37 PolarHBondContact O-N 3.3Å; E33-D37 VanDerWaalsContact O-N 3.12Å; F34-D37 PolarHBondContact O-N 2.91Å; F34-D37 VanDerWaalsContact O-N 3.12Å; I35-D37 VanDerWaalsContact C-N 3.33Å; I35-D37 PolarHBondContact O-N 2.95Å; D37-A39 VanDerWaalsContact C-N 3.29Å; D37-A39 PolarHBondContact O-N 2.78Å; D37-K40 PolarHBondContact O-N 2.93Å; D37-R41 WeakPolarHBondContact O-CG 3.22Å; D37-R41 PolarHBondContact O-N 2.76Å; D37-R41 IonicContact OD2-CZ 2.69Å; D37-R41 IonicContact OD2-NE 2.67Å; D37-R41 PolarHBondContact OD2-NE 2.86Å; D37-R41 IonicContact OD2-NH2 2.66Å; D37-R41 PolarHBondContact OD2-NH2 2.8Å
38	L	85.9	Confident	84.7	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.068	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-40.5	171.3	-71.6	-177.9	0	0	0	112.3	F34 I35 R41 N42 F48 L52	F34-L38 HydrophobicContact CD1-CD1 4.05Å; F34-L38 HydrophobicContact CD1-CG 4.49Å; F34-L38 HydrophobicContact CE1-CD1 3.57Å; F34-L38 HydrophobicContact CE1-CG 4.17Å; F34-L38 HydrophobicContact CE2-CG 4.46Å; F34-L38 HydrophobicContact CZ-CD1 3.93Å; F34-L38 HydrophobicContact CZ-CD2 4.26Å; F34-L38 HydrophobicContact CZ-CG 4.15Å; F34-L38 PolarHBondContact O-N 3.29Å; I35-L38 PolarHBondContact O-N 2.89Å; L38-R41 PolarHBondContact O-N 3.45Å; L38-N42 WeakPolarHBondContact O-CB 3.44Å; L38-N42 PolarHBondContact O-N 3.04Å; L38-N42 PolarHBondContact O-ND2 2.81Å; L38-F48 HydrophobicContact CB-CE2 4.21Å; L38-L52 HydrophobicContact CD1-CD2 4.33Å
39	A	85.1	Confident	84.7	Confident	6 Å²	6	63.1 Å²	63.1	5%	0.05	31%	0.311	C	S	.	.	H	α-helix	trans	-71.1	-28.8	177.1	0	0	0	0	0	113.5	I35 I36 D37 F48 L68 V71	I35-A39 WeakPolarHBondContact O-CB 3.48Å; I35-A39 PolarHBondContact O-N 3.34Å; I36-A39 PolarHBondContact O-N 2.58Å; D37-A39 VanDerWaalsContact C-N 3.29Å; D37-A39 PolarHBondContact O-N 2.78Å; A39-F48 HydrophobicContact CB-CD2 4.11Å; A39-F48 HydrophobicContact CB-CE2 3.7Å; A39-F48 HydrophobicContact CB-CZ 4.28Å; A39-L68 HydrophobicContact CB-CD1 4.25Å; A39-V71 HydrophobicContact CB-CB 4.21Å; A39-V71 HydrophobicContact CB-CG1 4.04Å; A39-V71 HydrophobicContact CB-CG2 3.92Å
40	K	84.1	Confident	84.6	Confident	111 Å²	111	62.7 Å²	62.7	48%	0.483	31%	0.313	S	S	.	.	H	α-helix	trans	-71.4	-40.3	170.9	-75.4	169.1	-178.9	174.1	0	112	I36 D37	I36-K40 HydrophobicContact CG2-CD 4.29Å; I36-K40 VanDerWaalsContact O-CG 3.32Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 3.04Å; D37-K40 PolarHBondContact O-N 2.93Å
41	R	84.5	Confident	84.5	Confident	174 Å²	174	57.7 Å²	57.7	66%	0.657	29%	0.288	S	S	*	.	H	α-helix	trans	-68.6	-34.3	177.6	-67.2	174.7	-166.8	-149.3	7.9	112.4	D37 L38 P43	D37-R41 WeakPolarHBondContact O-CG 3.22Å; D37-R41 PolarHBondContact O-N 2.76Å; D37-R41 IonicContact OD2-CZ 2.69Å; D37-R41 IonicContact OD2-NE 2.67Å; D37-R41 PolarHBondContact OD2-NE 2.86Å; D37-R41 IonicContact OD2-NH2 2.66Å; D37-R41 PolarHBondContact OD2-NH2 2.8Å; L38-R41 PolarHBondContact O-N 3.45Å; R41-P43 WeakPolarHBondContact O-CD 3.43Å
42	N	82.4	Confident	84.5	Confident	44 Å²	44	55.6 Å²	55.6	24%	0.235	28%	0.277	C	S	.	.			trans	-119.9	87.1	-173.7	-63.5	-75.4	0	0	0	112.2	L38 T44 F48 A51	L38-N42 WeakPolarHBondContact O-CB 3.44Å; L38-N42 PolarHBondContact O-N 3.04Å; L38-N42 PolarHBondContact O-ND2 2.81Å; N42-T44 VanDerWaalsContact C-N 3.27Å; N42-T44 PolarHBondContact O-N 2.79Å; N42-F48 HydrophobicContact CB-CB 4.24Å; N42-A51 WeakPolarHBondContact ND2-CB 3.39Å
43	P	77.5	Confident	84.2	Confident	82 Å²	82	58.8 Å²	58.8	53%	0.532	30%	0.303	S	S	.	.			trans	-75.4	-7.5	-177	30.2	-36.2	0	0	0	114.5	R41 K72	R41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-K72 WeakPolarHBondContact O-CE 3.47Å; P43-K72 PolarHBondContact O-NZ 2.95Å
44	T	81.5	Confident	83.9	Confident	85 Å²	85	63.8 Å²	63.8	52%	0.521	33%	0.326	S	S	.	.	S	Bend	trans	-98.3	148	175.4	55.7	0	0	0	0	111.2	N42 E46 G47 F48	N42-T44 VanDerWaalsContact C-N 3.27Å; N42-T44 PolarHBondContact O-N 2.79Å; T44-E46 VanDerWaalsContact C-N 3.34Å; T44-E46 PolarHBondContact O-N 3.29Å; T44-G47 PolarHBondContact O-N 3.25Å; T44-G47 PolarHBondContact OG1-N 3.15Å; T44-F48 WeakPolarHBondContact O-CB 3.21Å; T44-F48 PolarHBondContact O-N 3.43Å
45	L	80.4	Confident	83.5	Confident	83 Å²	83	63.8 Å²	63.8	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-40.8	-179.3	-176.7	149.4	0	0	0	111.8	F48 K49 L68	L45-F48 PolarHBondContact O-N 2.94Å; L45-K49 WeakPolarHBondContact O-CB 3.36Å; L45-K49 PolarHBondContact O-N 3.11Å; L45-L68 HydrophobicContact CB-CD2 4.14Å
46	E	81.2	Confident	82.9	Confident	151 Å²	151	67 Å²	67	71%	0.706	36%	0.364	S	S	*	.	H	α-helix	trans	-66	-42.6	176.3	-61.5	176	155.9	0	0	111.9	T44 K49 N50	T44-E46 VanDerWaalsContact C-N 3.34Å; T44-E46 PolarHBondContact O-N 3.29Å; E46-K49 PolarHBondContact O-N 3Å; E46-N50 WeakPolarHBondContact O-CB 3.37Å; E46-N50 VanDerWaalsContact O-CG 3.23Å; E46-N50 PolarHBondContact O-N 2.69Å; E46-N50 PolarHBondContact O-OD1 3.35Å
47	G	82.4	Confident	81.9	Confident	16 Å²	16	68.2 Å²	68.2	17%	0.165	37%	0.374	C	S	.	.	H	α-helix	trans	-64.4	-41.3	175.9	0	0	0	0	0	112.5	T44 N50 A51	T44-G47 PolarHBondContact O-N 3.25Å; T44-G47 PolarHBondContact OG1-N 3.15Å; G47-N50 PolarHBondContact O-N 2.76Å; G47-A51 WeakPolarHBondContact O-CB 3.25Å; G47-A51 PolarHBondContact O-N 3.2Å
48	F	86.9	Confident	81	Confident	1 Å²	1	74.9 Å²	74.9	0%	0.004	40%	0.403	C	S	.	.	H	α-helix	trans	-66.3	-41.8	176.2	-176.2	-118.7	0	0	0	111.7	I35 L38 A39 N42 T44 L45 A51 L52 S64 L67 L68	I35-F48 HydrophobicContact CG2-CZ 4.27Å; L38-F48 HydrophobicContact CB-CE2 4.21Å; A39-F48 HydrophobicContact CB-CD2 4.11Å; A39-F48 HydrophobicContact CB-CE2 3.7Å; A39-F48 HydrophobicContact CB-CZ 4.28Å; N42-F48 HydrophobicContact CB-CB 4.24Å; T44-F48 WeakPolarHBondContact O-CB 3.21Å; T44-F48 PolarHBondContact O-N 3.43Å; L45-F48 PolarHBondContact O-N 2.94Å; F48-A51 PolarHBondContact O-N 3.39Å; F48-L52 HydrophobicContact CD1-CD1 3.92Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE1-CG 4.46Å; F48-L52 HydrophobicContact CE2-CD1 4.31Å; F48-L52 HydrophobicContact CE2-CG 4.33Å; F48-L52 HydrophobicContact CG-CD1 4.42Å; F48-L52 HydrophobicContact CZ-CD1 3.82Å; F48-L52 HydrophobicContact CZ-CD2 4.41Å; F48-L52 HydrophobicContact CZ-CG 4.27Å; F48-L52 WeakPolarHBondContact O-CG 3.38Å; F48-L52 PolarHBondContact O-N 2.95Å; F48-S64 WeakPolarHBondContact CE1-O 3.25Å; F48-L67 HydrophobicContact CE1-CB 4.26Å; F48-L67 HydrophobicContact CZ-CB 4.38Å; F48-L68 HydrophobicContact CB-CD1 4.47Å; F48-L68 HydrophobicContact CB-CD2 4.28Å; F48-L68 HydrophobicContact CD1-CB 4.02Å; F48-L68 HydrophobicContact CE1-CB 4.22Å; F48-L68 HydrophobicContact CG-CD1 4.34Å
49	K	84.4	Confident	80.7	Confident	83 Å²	83	76 Å²	76	36%	0.361	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-44.8	174.7	-175.8	171	-175.6	168.3	0	112.1	L45 E46 L52 A53 D61	L45-K49 WeakPolarHBondContact O-CB 3.36Å; L45-K49 PolarHBondContact O-N 3.11Å; E46-K49 PolarHBondContact O-N 3Å; K49-L52 PolarHBondContact O-N 3.45Å; K49-A53 PolarHBondContact O-N 3.4Å; K49-D61 WeakPolarHBondContact CD-OD1 3.45Å; K49-D61 WeakPolarHBondContact CE-OD1 3.29Å; K49-D61 IonicContact NZ-OD1 2.85Å; K49-D61 PolarHBondContact NZ-OD1 3.05Å; K49-D61 IonicContact NZ-OD2 3.79Å; K49-D61 PolarHBondContact NZ-OD2 3.39Å
50	N	83.7	Confident	80.4	Confident	98 Å²	98	80.5 Å²	80.5	52%	0.524	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-44.7	176.5	-69.1	-7.1	0	0	0	111.4	E46 G47 L52 A53 E54	E46-N50 WeakPolarHBondContact O-CB 3.37Å; E46-N50 VanDerWaalsContact O-CG 3.23Å; E46-N50 PolarHBondContact O-N 2.69Å; E46-N50 PolarHBondContact O-OD1 3.35Å; G47-N50 PolarHBondContact O-N 2.76Å; N50-L52 VanDerWaalsContact C-N 3.32Å; N50-L52 PolarHBondContact O-N 3.17Å; N50-A53 PolarHBondContact O-N 2.86Å; N50-E54 WeakPolarHBondContact O-CG 3.47Å; N50-E54 PolarHBondContact O-N 3.34Å
51	A	83.6	Confident	80.1	Confident	7 Å²	7	79 Å²	79	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-64.8	-32.5	178.1	0	0	0	0	0	113.2	N42 G47 F48 N55	N42-A51 WeakPolarHBondContact ND2-CB 3.39Å; G47-A51 WeakPolarHBondContact O-CB 3.25Å; G47-A51 PolarHBondContact O-N 3.2Å; F48-A51 PolarHBondContact O-N 3.39Å; A51-N55 PolarHBondContact O-N 3.24Å; A51-N55 PolarHBondContact O-ND2 3.35Å
52	L	84.5	Confident	79.9	Confident	5 Å²	5	73.8 Å²	73.8	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-66.9	-46.5	170.8	-74.5	168.8	0	0	0	111.4	L38 F48 K49 N50 E54 N55 G56 A57 F59	L38-L52 HydrophobicContact CD1-CD2 4.33Å; F48-L52 HydrophobicContact CD1-CD1 3.92Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE1-CG 4.46Å; F48-L52 HydrophobicContact CE2-CD1 4.31Å; F48-L52 HydrophobicContact CE2-CG 4.33Å; F48-L52 HydrophobicContact CG-CD1 4.42Å; F48-L52 HydrophobicContact CZ-CD1 3.82Å; F48-L52 HydrophobicContact CZ-CD2 4.41Å; F48-L52 HydrophobicContact CZ-CG 4.27Å; F48-L52 WeakPolarHBondContact O-CG 3.38Å; F48-L52 PolarHBondContact O-N 2.95Å; K49-L52 PolarHBondContact O-N 3.45Å; N50-L52 VanDerWaalsContact C-N 3.32Å; N50-L52 PolarHBondContact O-N 3.17Å; L52-E54 PolarHBondContact O-N 3.1Å; L52-N55 CarbonylContact O-C 3.46Å; L52-N55 PolarHBondContact O-N 2.94Å; L52-N55 VanDerWaalsContact O-N 3.16Å; L52-G56 PolarHBondContact O-N 3.1Å; L52-A57 HydrophobicContact CB-CB 4.26Å; L52-A57 HydrophobicContact CD2-CB 4.1Å; L52-A57 PolarHBondContact O-N 3.22Å; L52-F59 HydrophobicContact CD1-CD2 3.78Å; L52-F59 HydrophobicContact CD1-CE2 4.43Å; L52-F59 HydrophobicContact CD2-CD2 3.89Å; L52-F59 HydrophobicContact CD2-CE2 3.73Å; L52-F59 HydrophobicContact CG-CD2 4.42Å
53	A	81.5	Confident	79.9	Confident	66 Å²	66	71.9 Å²	71.9	55%	0.545	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-41.5	178.2	0	0	0	0	0	112.8	K49 N50 N55 G56	K49-A53 PolarHBondContact O-N 3.4Å; N50-A53 PolarHBondContact O-N 2.86Å; A53-N55 PolarHBondContact O-N 3.16Å; A53-G56 PolarHBondContact O-N 3.39Å
54	E	82.9	Confident	80.2	Confident	162 Å²	162	68.2 Å²	68.2	76%	0.757	39%	0.385	S	S	*	.	H	α-helix	trans	-61.6	-28.7	174.9	-75.6	177.3	176.8	0	0	113.1	N50 L52	N50-E54 WeakPolarHBondContact O-CG 3.47Å; N50-E54 PolarHBondContact O-N 3.34Å; L52-E54 PolarHBondContact O-N 3.1Å
55	N	79.6	Confident	80.2	Confident	92 Å²	92	66.5 Å²	66.5	49%	0.492	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	12.9	175.5	-69.9	-85.5	0	0	0	113.1	F34 A51 L52 A53	F34-N55 HydrophobicContact CE1-CB 4.36Å; F34-N55 HydrophobicContact CZ-CB 4.46Å; A51-N55 PolarHBondContact O-N 3.24Å; A51-N55 PolarHBondContact O-ND2 3.35Å; L52-N55 CarbonylContact O-C 3.46Å; L52-N55 PolarHBondContact O-N 2.94Å; L52-N55 VanDerWaalsContact O-N 3.16Å; A53-N55 PolarHBondContact O-N 3.16Å
56	G	74.5	Confident	80.3	Confident	70 Å²	70	63.9 Å²	63.9	72%	0.722	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	16	173.5	0	0	0	0	0	115.9	L52 A53	L52-G56 PolarHBondContact O-N 3.1Å; A53-G56 PolarHBondContact O-N 3.39Å
57	A	66.3	Low	80.5	Confident	25 Å²	25	56.7 Å²	56.7	21%	0.207	33%	0.331	C	S	.	.			trans	-99.5	93.8	-179.6	0	0	0	0	0	112	L52 F59	L52-A57 HydrophobicContact CB-CB 4.26Å; L52-A57 HydrophobicContact CD2-CB 4.1Å; L52-A57 PolarHBondContact O-N 3.22Å; A57-F59 VanDerWaalsContact C-N 3.29Å; A57-F59 HydrophobicContact CB-CD1 4.23Å; A57-F59 HydrophobicContact CB-CE1 3.93Å; A57-F59 HydrophobicContact CB-CE2 4.27Å; A57-F59 HydrophobicContact CB-CZ 3.95Å; A57-F59 PolarHBondContact O-N 3.41Å
58	E	69.1	Low	80.7	Confident	198 Å²	198	56.4 Å²	56.4	93%	0.925	33%	0.326	S	S	*	.			trans	-76.4	76.2	170.8	-66.7	-169.4	163.8	0	0	111.2
59	F	78.6	Confident	80.5	Confident	36 Å²	36	64.9 Å²	64.9	16%	0.158	36%	0.358	C	S	.	.			trans	-87.6	143.8	173.2	-64.4	-14.1	0	0	0	111.9	L20 L24 I35 L52 A57 L63 L67	L20-F59 HydrophobicContact CD2-CZ 4.31Å; L24-F59 HydrophobicContact CD1-CD1 4.09Å; L24-F59 HydrophobicContact CD1-CE1 3.51Å; L24-F59 HydrophobicContact CD1-CZ 4.11Å; I35-F59 HydrophobicContact CD1-CE2 3.99Å; I35-F59 HydrophobicContact CD1-CZ 4.16Å; L52-F59 HydrophobicContact CD1-CD2 3.78Å; L52-F59 HydrophobicContact CD1-CE2 4.43Å; L52-F59 HydrophobicContact CD2-CD2 3.89Å; L52-F59 HydrophobicContact CD2-CE2 3.73Å; L52-F59 HydrophobicContact CG-CD2 4.42Å; A57-F59 VanDerWaalsContact C-N 3.29Å; A57-F59 HydrophobicContact CB-CD1 4.23Å; A57-F59 HydrophobicContact CB-CE1 3.93Å; A57-F59 HydrophobicContact CB-CE2 4.27Å; A57-F59 HydrophobicContact CB-CZ 3.95Å; A57-F59 PolarHBondContact O-N 3.41Å; F59-L63 HydrophobicContact CB-CD2 4.19Å; F59-L63 HydrophobicContact CD1-CD2 4.27Å; F59-L63 HydrophobicContact CD2-CD2 4.39Å; F59-L63 HydrophobicContact CG-CD2 4.04Å; F59-L67 HydrophobicContact CD2-CD1 4.21Å; F59-L67 HydrophobicContact CE2-CD1 4.23Å
60	D	79.5	Confident	80.5	Confident	102 Å²	102	65.3 Å²	65.3	55%	0.545	36%	0.357	S	S	.	.			trans	-61.9	154.2	172	178.4	49.2	0	0	0	112.1	S62 L63 S64	D60-S62 VanDerWaalsContact C-N 3.25Å; D60-S62 PolarHBondContact O-N 3.1Å; D60-S62 WeakPolarHBondContact OD2-CB 3.11Å; D60-S62 PolarHBondContact OD2-N 2.84Å; D60-S62 VanDerWaalsContact OD2-N 3.08Å; D60-S62 PolarHBondContact OD2-OG 3.14Å; D60-L63 PolarHBondContact O-N 3.41Å; D60-S64 WeakPolarHBondContact O-CB 3.49Å; D60-S64 PolarHBondContact O-N 3.1Å; D60-S64 PolarHBondContact O-OG 3.41Å
61	D	77.1	Confident	80.5	Confident	78 Å²	78	60.9 Å²	60.9	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-27.7	-179.7	-81.4	-39.6	0	0	0	112.4	K49 S65	K49-D61 WeakPolarHBondContact CD-OD1 3.45Å; K49-D61 WeakPolarHBondContact CE-OD1 3.29Å; K49-D61 IonicContact NZ-OD1 2.85Å; K49-D61 PolarHBondContact NZ-OD1 3.05Å; K49-D61 IonicContact NZ-OD2 3.79Å; K49-D61 PolarHBondContact NZ-OD2 3.39Å; D61-S65 WeakPolarHBondContact O-CB 3.43Å; D61-S65 PolarHBondContact O-N 3.14Å; D61-S65 VanDerWaalsContact O-N 3.12Å; D61-S65 PolarHBondContact O-OG 3.44Å
62	S	80.9	Confident	80.4	Confident	65 Å²	65	64.8 Å²	64.8	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-69.6	-41.3	172.6	74.2	0	0	0	0	112.5	D60 S65 S66	D60-S62 VanDerWaalsContact C-N 3.25Å; D60-S62 PolarHBondContact O-N 3.1Å; D60-S62 WeakPolarHBondContact OD2-CB 3.11Å; D60-S62 PolarHBondContact OD2-N 2.84Å; D60-S62 VanDerWaalsContact OD2-N 3.08Å; D60-S62 PolarHBondContact OD2-OG 3.14Å; S62-S65 PolarHBondContact O-OG 2.9Å; S62-S65 VanDerWaalsContact O-OG 3.09Å; S62-S66 WeakPolarHBondContact O-CB 3.47Å; S62-S66 PolarHBondContact O-N 3.43Å
63	L	82.7	Confident	80.1	Confident	5 Å²	5	70 Å²	70	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-68.9	-47.4	177.7	-179.8	58.8	0	0	0	110.9	H23 L24 F59 D60 S65 S66 L67	H23-L63 HydrophobicContact CB-CD1 4.21Å; H23-L63 HydrophobicContact CB-CD2 4.05Å; L24-L63 HydrophobicContact CD1-CD2 4.37Å; F59-L63 HydrophobicContact CB-CD2 4.19Å; F59-L63 HydrophobicContact CD1-CD2 4.27Å; F59-L63 HydrophobicContact CD2-CD2 4.39Å; F59-L63 HydrophobicContact CG-CD2 4.04Å; D60-L63 PolarHBondContact O-N 3.41Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 3.17Å; L63-S66 WeakPolarHBondContact O-CB 3.45Å; L63-S66 PolarHBondContact O-N 3.04Å; L63-S66 VanDerWaalsContact O-N 3.16Å; L63-L67 HydrophobicContact CD1-CD1 4.1Å; L63-L67 HydrophobicContact CD1-CG 4.12Å; L63-L67 HydrophobicContact CG-CD1 4.02Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CG 3.03Å; L63-L67 PolarHBondContact O-N 2.53Å
64	S	82.3	Confident	79.6	Confident	4 Å²	4	68.7 Å²	68.7	3%	0.028	36%	0.36	C	S	.	.	H	α-helix	trans	-58.7	-41.2	179.3	-58	0	0	0	0	112.2	F48 D60 L68	F48-S64 WeakPolarHBondContact CE1-O 3.25Å; D60-S64 WeakPolarHBondContact O-CB 3.49Å; D60-S64 PolarHBondContact O-N 3.1Å; D60-S64 PolarHBondContact O-OG 3.41Å; S64-L68 PolarHBondContact O-N 2.84Å
65	S	82.6	Confident	78.9	Confident	49 Å²	49	63.6 Å²	63.6	34%	0.343	34%	0.34	S	S	.	.	H	α-helix	trans	-74.3	-34.4	175.9	59.8	0	0	0	0	113.4	D61 S62 L63 R69	D61-S65 WeakPolarHBondContact O-CB 3.43Å; D61-S65 PolarHBondContact O-N 3.14Å; D61-S65 VanDerWaalsContact O-N 3.12Å; D61-S65 PolarHBondContact O-OG 3.44Å; S62-S65 PolarHBondContact O-OG 2.9Å; S62-S65 VanDerWaalsContact O-OG 3.09Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 3.17Å; S65-R69 VanDerWaalsContact O-CB 3.23Å; S65-R69 WeakPolarHBondContact O-CB 3.29Å; S65-R69 PolarHBondContact O-N 3.38Å; S65-R69 VanDerWaalsContact O-N 3.11Å
66	S	83.1	Confident	78	Confident	29 Å²	29	65.1 Å²	65.1	20%	0.203	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-52.1	172.1	177.2	0	0	0	0	111.7	S62 L63 R69 R70	S62-S66 WeakPolarHBondContact O-CB 3.47Å; S62-S66 PolarHBondContact O-N 3.43Å; L63-S66 WeakPolarHBondContact O-CB 3.45Å; L63-S66 PolarHBondContact O-N 3.04Å; L63-S66 VanDerWaalsContact O-N 3.16Å; S66-R69 PolarHBondContact O-N 3.04Å; S66-R70 WeakPolarHBondContact O-CG 3.42Å; S66-R70 PolarHBondContact O-N 3.44Å; S66-R70 PolarHBondContact OG-NE 3.1Å
67	L	85.3	Confident	76.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-52.4	-178.3	-70	170.9	0	0	0	111.5	I16 D19 I35 F48 F59 L63 R69 R70 V71	I16-L67 HydrophobicContact CG1-CD2 4.17Å; I16-L67 HydrophobicContact CG2-CD2 4.05Å; D19-L67 HydrophobicContact CB-CD2 4.28Å; I35-L67 HydrophobicContact CG2-CD1 4.32Å; F48-L67 HydrophobicContact CE1-CB 4.26Å; F48-L67 HydrophobicContact CZ-CB 4.38Å; F59-L67 HydrophobicContact CD2-CD1 4.21Å; F59-L67 HydrophobicContact CE2-CD1 4.23Å; L63-L67 HydrophobicContact CD1-CD1 4.1Å; L63-L67 HydrophobicContact CD1-CG 4.12Å; L63-L67 HydrophobicContact CG-CD1 4.02Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CG 3.03Å; L63-L67 PolarHBondContact O-N 2.53Å; L67-R69 VanDerWaalsContact C-N 3.29Å; L67-R69 PolarHBondContact O-N 3.24Å; L67-R70 PolarHBondContact O-N 3.05Å; L67-R70 VanDerWaalsContact O-N 3.16Å; L67-V71 PolarHBondContact O-N 3.16Å
68	L	84.9	Confident	75.6	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.047	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-36	179.8	-174.1	63.9	0	0	0	112.3	A39 L45 F48 S64 K72	A39-L68 HydrophobicContact CB-CD1 4.25Å; L45-L68 HydrophobicContact CB-CD2 4.14Å; F48-L68 HydrophobicContact CB-CD1 4.47Å; F48-L68 HydrophobicContact CB-CD2 4.28Å; F48-L68 HydrophobicContact CD1-CB 4.02Å; F48-L68 HydrophobicContact CE1-CB 4.22Å; F48-L68 HydrophobicContact CG-CD1 4.34Å; S64-L68 PolarHBondContact O-N 2.84Å; L68-K72 WeakPolarHBondContact O-CG 3.29Å; L68-K72 PolarHBondContact O-N 3.14Å
69	R	84.4	Confident	74.1	Confident	179 Å²	179	64.1 Å²	64.1	68%	0.675	34%	0.344	S	S	*	.	H	α-helix	trans	-65.8	-42.7	175.5	-178.5	178.5	176.7	-168.5	-2.8	111.8	S65 S66 L67 L73	S65-R69 VanDerWaalsContact O-CB 3.23Å; S65-R69 WeakPolarHBondContact O-CB 3.29Å; S65-R69 PolarHBondContact O-N 3.38Å; S65-R69 VanDerWaalsContact O-N 3.11Å; S66-R69 PolarHBondContact O-N 3.04Å; L67-R69 VanDerWaalsContact C-N 3.29Å; L67-R69 PolarHBondContact O-N 3.24Å; R69-L73 HydrophobicContact CG-CD1 3.95Å; R69-L73 WeakPolarHBondContact O-CB 3.44Å; R69-L73 VanDerWaalsContact O-CG 3.3Å; R69-L73 WeakPolarHBondContact O-CG 3.35Å; R69-L73 PolarHBondContact O-N 3.36Å
70	R	82.5	Confident	72	Confident	93 Å²	93	67.2 Å²	67.2	35%	0.351	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-41.3	179.7	-70.1	179.2	-168.4	-159.1	18.8	112.4	D19 S66 L67 L73 M74	D19-R70 VanDerWaalsContact CG-NH2 3.34Å; D19-R70 IonicContact OD1-CZ 2.76Å; D19-R70 IonicContact OD1-NH1 3.23Å; D19-R70 PolarHBondContact OD1-NH1 2.73Å; D19-R70 IonicContact OD1-NH2 3.76Å; D19-R70 PolarHBondContact OD1-NH2 3.41Å; D19-R70 VanDerWaalsContact OD2-CD 3.3Å; D19-R70 WeakPolarHBondContact OD2-CD 3.44Å; D19-R70 IonicContact OD2-CZ 3.25Å; D19-R70 IonicContact OD2-NE 3.57Å; D19-R70 PolarHBondContact OD2-NE 3.05Å; D19-R70 VanDerWaalsContact OD2-NE 3.14Å; D19-R70 IonicContact OD2-NH1 3.38Å; D19-R70 PolarHBondContact OD2-NH1 2.9Å; D19-R70 IonicContact OD2-NH2 2.84Å; D19-R70 PolarHBondContact OD2-NH2 3.21Å; D19-R70 VanDerWaalsContact OD2-NH2 3.17Å; S66-R70 WeakPolarHBondContact O-CG 3.42Å; S66-R70 PolarHBondContact O-N 3.44Å; S66-R70 PolarHBondContact OG-NE 3.1Å; L67-R70 PolarHBondContact O-N 3.05Å; L67-R70 VanDerWaalsContact O-N 3.16Å; R70-L73 PolarHBondContact O-N 2.84Å; R70-M74 VanDerWaalsContact O-CG 3.3Å; R70-M74 WeakPolarHBondContact O-CG 3.25Å; R70-M74 PolarHBondContact O-N 2.96Å
71	V	83.9	Confident	69.7	Low	4 Å²	4	66.9 Å²	66.9	2%	0.024	38%	0.382	C	S	.	.	H	α-helix	trans	-57.9	-54.4	173.8	175.1	0	0	0	0	110.1	L12 I16 A39 L67 L73 M74 T75	L12-V71 HydrophobicContact CD1-CG2 4.38Å; I16-V71 HydrophobicContact CD1-CG2 3.97Å; A39-V71 HydrophobicContact CB-CB 4.21Å; A39-V71 HydrophobicContact CB-CG1 4.04Å; A39-V71 HydrophobicContact CB-CG2 3.92Å; L67-V71 PolarHBondContact O-N 3.16Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 2.77Å; V71-M74 PolarHBondContact O-N 3.06Å; V71-M74 VanDerWaalsContact O-N 3.14Å; V71-T75 HydrophobicContact CG1-CG2 4.1Å; V71-T75 WeakPolarHBondContact O-CG2 3.47Å; V71-T75 PolarHBondContact O-N 2.71Å; V71-T75 PolarHBondContact O-OG1 3.49Å; V71-T75 VanDerWaalsContact O-OG1 3.14Å
72	K	82	Confident	67.5	Low	89 Å²	89	69.2 Å²	69.2	39%	0.387	41%	0.405	S	S	.	.	H	α-helix	trans	-58.6	-39.9	-179.8	-73	-180	178	-174.7	0	114.1	P43 L68 M74 T75 N76	P43-K72 WeakPolarHBondContact O-CE 3.47Å; P43-K72 PolarHBondContact O-NZ 2.95Å; L68-K72 WeakPolarHBondContact O-CG 3.29Å; L68-K72 PolarHBondContact O-N 3.14Å; K72-M74 VanDerWaalsContact C-N 3.32Å; K72-M74 PolarHBondContact O-N 2.82Å; K72-T75 PolarHBondContact O-OG1 2.62Å; K72-N76 WeakPolarHBondContact O-CB 3.43Å; K72-N76 PolarHBondContact O-N 3.35Å; K72-N76 PolarHBondContact O-OD1 2.88Å
73	L	77.6	Confident	65	Low	114 Å²	114	70 Å²	70	60%	0.597	42%	0.422	S	S	*	.	H	α-helix	trans	-65.6	-35.1	178.6	-76.7	169.9	0	0	0	112.5	R69 R70 V71	R69-L73 HydrophobicContact CG-CD1 3.95Å; R69-L73 WeakPolarHBondContact O-CB 3.44Å; R69-L73 VanDerWaalsContact O-CG 3.3Å; R69-L73 WeakPolarHBondContact O-CG 3.35Å; R69-L73 PolarHBondContact O-N 3.36Å; R70-L73 PolarHBondContact O-N 2.84Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 2.77Å
74	M	71.6	Confident	62.4	Low	39 Å²	39	78.4 Å²	78.4	19%	0.192	46%	0.461	C	S	.	.	H	α-helix	trans	-86.1	-33.3	-177.8	-64.9	-87.6	-69.1	0	0	112.4	Q8 L12 K15 R70 V71 K72	Q8-M74 WeakPolarHBondContact O-CE 3.48Å; L12-M74 HydrophobicContact CB-CE 3.92Å; L12-M74 HydrophobicContact CD1-CB 3.93Å; L12-M74 HydrophobicContact CD1-CG 3.96Å; K15-M74 HydrophobicContact CD-CE 4.49Å; R70-M74 VanDerWaalsContact O-CG 3.3Å; R70-M74 WeakPolarHBondContact O-CG 3.25Å; R70-M74 PolarHBondContact O-N 2.96Å; V71-M74 PolarHBondContact O-N 3.06Å; V71-M74 VanDerWaalsContact O-N 3.14Å; K72-M74 VanDerWaalsContact C-N 3.32Å; K72-M74 PolarHBondContact O-N 2.82Å
75	T	69.1	Low	59.9	Low	56 Å²	56	85.8 Å²	85.8	34%	0.344	50%	0.499	S	S	.	.	H	α-helix	trans	-73.7	-31.5	178.5	54.1	0	0	0	0	113.5	V71 K72 L77	V71-T75 HydrophobicContact CG1-CG2 4.1Å; V71-T75 WeakPolarHBondContact O-CG2 3.47Å; V71-T75 PolarHBondContact O-N 2.71Å; V71-T75 PolarHBondContact O-OG1 3.49Å; V71-T75 VanDerWaalsContact O-OG1 3.14Å; K72-T75 PolarHBondContact O-OG1 2.62Å; T75-L77 PolarHBondContact O-N 3.22Å
76	N	59.8	Low	57.4	Low	123 Å²	123	89.3 Å²	89.3	66%	0.658	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-81.4	4.2	-170.6	-68.1	9.2	0	0	0	114.2	K72 D78	K72-N76 WeakPolarHBondContact O-CB 3.43Å; K72-N76 PolarHBondContact O-N 3.35Å; K72-N76 PolarHBondContact O-OD1 2.88Å; N76-D78 VanDerWaalsContact C-N 3.25Å; N76-D78 PolarHBondContact O-N 3.01Å
77	L	46.9	Very low	54.8	Low	107 Å²	107	92.5 Å²	92.5	56%	0.56	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-71.9	-17.2	176.2	-75.1	161.7	0	0	0	113.5	T75 G79	T75-L77 PolarHBondContact O-N 3.22Å; L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 2.79Å
78	D	44.2	Very low	52.2	Low	99 Å²	99	101.4 Å²	101.4	53%	0.529	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-74.1	-11.8	-175.7	-105	-11.8	0	0	0	115.2	K5 N76	K5-D78 WeakPolarHBondContact CE-OD1 3.43Å; K5-D78 IonicContact NZ-OD1 2.68Å; K5-D78 PolarHBondContact NZ-OD1 3Å; K5-D78 IonicContact NZ-OD2 3.17Å; K5-D78 PolarHBondContact NZ-OD2 3.21Å; N76-D78 VanDerWaalsContact C-N 3.25Å; N76-D78 PolarHBondContact O-N 3.01Å
79	G	37.6	Very low	49.7	Very low	67 Å²	67	108.8 Å²	108.8	69%	0.691	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-103.5	4.4	-169.4	0	0	0	0	0	116.8	L77 S81	L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 2.79Å; G79-S81 VanDerWaalsContact C-N 3.28Å; G79-S81 PolarHBondContact O-N 3.09Å
80	A	34.1	Very low	47.1	Very low	101 Å²	101	110.3 Å²	110.3	84%	0.835	64%	0.641	S	S	*	*			trans	-81	9.6	-165.8	0	0	0	0	0	116.1
81	S	31.3	Very low	44.6	Very low	95 Å²	95	110 Å²	110	66%	0.664	66%	0.659	S	S	*	*	S	Bend	trans	-122.3	119.6	-176.6	52.5	0	0	0	0	113.4	G79	G79-S81 VanDerWaalsContact C-N 3.28Å; G79-S81 PolarHBondContact O-N 3.09Å
82	S	29.7	Very low	42.2	Very low	127 Å²	127	117.7 Å²	117.7	89%	0.888	70%	0.699	S	S	*	*	S	Bend	trans	73.7	148.2	175.9	81.3	0	0	0	0	118
83	G	28.8	Very low	39.6	Very low	80 Å²	80	120.2 Å²	120.2	83%	0.825	72%	0.722	S	S	*	*			trans	92.8	117.3	155.8	0	0	0	0	0	117.8
84	Q	28.6	Very low	37.2	Very low	182 Å²	182	119.1 Å²	119.1	85%	0.85	73%	0.729	S	S	*	*			trans	-69.8	179.6	174.7	-60	166.4	-36.5	0	0	114.1
85	I	30.3	Very low	35.1	Very low	159 Å²	159	120.8 Å²	120.8	82%	0.815	76%	0.756	S	S	*	*			trans	85.1	145	163.4	-49.9	161.2	0	0	0	114.8
86	P	29.3	Very low	33.2	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	78%	0.784	S	S	*	*			cis	-113.5	-158.8	-23.5	36	-19.5	0	0	0	111.6
87	A	29	Very low	31.6	Very low	95 Å²	95	126 Å²	126	79%	0.785	79%	0.79	S	S	*	*			trans	-125.8	98.7	177.5	0	0	0	0	0	113.2
88	E	30.3	Very low	30.8	Very low	187 Å²	187	129.1 Å²	129.1	87%	0.874	81%	0.806	S	S	*	*			trans	-156.2	171.8	160.2	-104.1	148.2	-152.5	0	0	107
89	D	32.7	Very low	30.2	Very low	164 Å²	164	129.1 Å²	129.1	88%	0.877	82%	0.82	S	S	*	*			trans	74.6	18.1	-178.6	-69.6	-14.7	0	0	0	121	A91	D89-A91 PolarHBondContact O-N 2.9Å
90	K	30.4	Very low	30	Very low	211 Å²	211	128.7 Å²	128.7	92%	0.917	81%	0.806	S	S	*	*			trans	-82	44.8	169.9	-77.9	-167.7	174.2	-177.6	0	115
91	A	30.1	Very low	30.2	Very low	86 Å²	86	131.8 Å²	131.8	71%	0.711	80%	0.804	S	S	*	*	S	Bend	trans	-95.5	-25.8	-166.3	0	0	0	0	0	117.4	D89	D89-A91 PolarHBondContact O-N 2.9Å
92	L	32.5	Very low	31	Very low	166 Å²	166	131.6 Å²	131.6	87%	0.869	80%	0.798	S	S	*	*	S	Bend	trans	-129.9	-4.5	-162.1	-81	169.3	0	0	0	118
93	T	28.6	Very low	31.8	Very low	143 Å²	143	129.8 Å²	129.8	88%	0.877	78%	0.779	S	S	*	*			trans	-141	70.3	-179.4	55.1	0	0	0	0	112.6
94	A	27.2	Very low	32.6	Very low	91 Å²	91	134.4 Å²	134.4	75%	0.752	77%	0.771	S	S	*	*			trans	-142.4	48.8	-178.1	0	0	0	0	0	113.5
95	G	27.4	Very low	33.9	Very low	73 Å²	73	130.4 Å²	130.4	75%	0.753	75%	0.753	S	S	*	*			trans	-75.3	129.3	167	0	0	0	0	0	111.2
96	L	28.5	Very low	35.2	Very low	177 Å²	177	126.9 Å²	126.9	93%	0.927	74%	0.735	S	S	*	*	S	Bend	trans	68.2	55.9	166.1	-59.1	154.8	0	0	0	117.6
97	S	26.8	Very low	36.1	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	73%	0.725	S	S	*	*			trans	174.4	114.7	132.4	40.8	0	0	0	0	115
98	L	29.9	Very low	37.5	Very low	174 Å²	174	127 Å²	127	91%	0.911	71%	0.708	S	S	*	*			trans	160.2	132.5	141.6	-90.7	158.2	0	0	0	108.3
99	A	31.6	Very low	38.9	Very low	99 Å²	99	126.2 Å²	126.2	82%	0.818	70%	0.704	S	S	*	*			trans	-95.1	117	-171.7	0	0	0	0	0	112.3
100	S	32.9	Very low	40.3	Very low	57 Å²	57	126 Å²	126	40%	0.399	70%	0.695	S	S	.	*			trans	-92.2	155.9	159.2	53.8	0	0	0	0	110.4	T102 D103	S100-T102 PolarHBondContact O-N 2.87Å; S100-T102 PolarHBondContact OG-OG1 2.99Å; S100-T102 VanDerWaalsContact OG-OG1 3.07Å; S100-D103 PolarHBondContact O-N 3.31Å
101	E	37.8	Very low	41.1	Very low	167 Å²	167	120.3 Å²	120.3	78%	0.78	68%	0.675	S	S	*	*	H	α-helix	trans	-69.1	-22.9	-177.8	-63.8	-174.4	114.6	0	0	113.3	D103 R104	E101-D103 VanDerWaalsContact C-N 3.33Å; E101-D103 PolarHBondContact O-N 2.91Å; E101-R104 PolarHBondContact O-N 3.41Å
102	T	49.4	Very low	41.7	Very low	91 Å²	91	120.7 Å²	120.7	56%	0.558	67%	0.67	S	S	*	*	H	α-helix	trans	-60.4	-40	177.4	49.7	0	0	0	0	112.7	S100 R104 E105 I106	S100-T102 PolarHBondContact O-N 2.87Å; S100-T102 PolarHBondContact OG-OG1 2.99Å; S100-T102 VanDerWaalsContact OG-OG1 3.07Å; T102-R104 VanDerWaalsContact C-N 3.32Å; T102-R104 PolarHBondContact O-N 3.15Å; T102-E105 PolarHBondContact O-N 3.47Å; T102-I106 PolarHBondContact O-N 3.03Å
103	D	46.4	Very low	42.5	Very low	88 Å²	88	116.9 Å²	116.9	47%	0.471	66%	0.662	S	S	.	*	H	α-helix	trans	-74.6	-27.1	-173.9	-69.4	7.1	0	0	0	111.6	S100 E101 E105 I106 M107	S100-D103 PolarHBondContact O-N 3.31Å; E101-D103 VanDerWaalsContact C-N 3.33Å; E101-D103 PolarHBondContact O-N 2.91Å; D103-E105 VanDerWaalsContact C-N 3.32Å; D103-E105 PolarHBondContact O-N 3.07Å; D103-I106 PolarHBondContact O-N 3.03Å; D103-M107 WeakPolarHBondContact O-CB 3.48Å; D103-M107 WeakPolarHBondContact O-CG 3.24Å; D103-M107 PolarHBondContact O-N 3.18Å
104	R	44.3	Very low	43.3	Very low	177 Å²	177	116.8 Å²	116.8	67%	0.668	66%	0.656	S	S	*	*	H	α-helix	trans	-62.6	-38.5	171	-86.4	179.2	160.9	172	-4.7	112.2	E101 T102 M107 K108	E101-R104 PolarHBondContact O-N 3.41Å; T102-R104 VanDerWaalsContact C-N 3.32Å; T102-R104 PolarHBondContact O-N 3.15Å; R104-M107 PolarHBondContact O-N 3.07Å; R104-K108 WeakPolarHBondContact O-CG 3.41Å; R104-K108 PolarHBondContact O-N 3.39Å
105	E	56.5	Low	44.2	Very low	99 Å²	99	114.7 Å²	114.7	46%	0.463	64%	0.638	S	S	.	*	H	α-helix	trans	-74.3	-34.1	-179.3	-131	57.9	-152	0	0	111.8	T102 D103 K108 Q109	T102-E105 PolarHBondContact O-N 3.47Å; D103-E105 VanDerWaalsContact C-N 3.32Å; D103-E105 PolarHBondContact O-N 3.07Å; E105-K108 VanDerWaalsContact CD-CD 3.5Å; E105-K108 VanDerWaalsContact OE1-CD 3.22Å; E105-K108 WeakPolarHBondContact OE1-CD 3.41Å; E105-K108 IonicContact OE1-NZ 3.73Å; E105-K108 PolarHBondContact OE1-NZ 3.22Å; E105-K108 WeakPolarHBondContact OE2-CD 3.42Å; E105-K108 IonicContact OE2-NZ 2.7Å; E105-K108 PolarHBondContact OE2-NZ 3.14Å; E105-Q109 PolarHBondContact O-N 2.94Å
106	I	58	Low	45.2	Very low	85 Å²	85	118 Å²	118	44%	0.436	64%	0.636	S	S	.	*	H	α-helix	trans	-69.5	-39.8	172	-61.9	168.8	0	0	0	111.2	T102 D103 Q109 K110	T102-I106 PolarHBondContact O-N 3.03Å; D103-I106 PolarHBondContact O-N 3.03Å; I106-Q109 PolarHBondContact O-N 2.74Å; I106-K110 HydrophobicContact CG2-CD 4.34Å; I106-K110 PolarHBondContact O-N 2.78Å
107	M	47.3	Very low	45.8	Very low	121 Å²	121	115.4 Å²	115.4	60%	0.596	63%	0.629	S	S	*	*	H	α-helix	trans	-62.5	-46.4	174	-77.5	-75.4	-155.7	0	0	112	D103 R104 Q109 K110 L111	D103-M107 WeakPolarHBondContact O-CB 3.48Å; D103-M107 WeakPolarHBondContact O-CG 3.24Å; D103-M107 PolarHBondContact O-N 3.18Å; R104-M107 PolarHBondContact O-N 3.07Å; M107-Q109 VanDerWaalsContact C-N 3.28Å; M107-Q109 PolarHBondContact O-N 2.96Å; M107-K110 PolarHBondContact O-N 3.17Å; M107-L111 PolarHBondContact O-N 3.25Å
108	K	59.1	Low	46.9	Very low	101 Å²	101	117.9 Å²	117.9	44%	0.439	63%	0.634	S	S	.	*	H	α-helix	trans	-52.4	-43.6	174.9	-84.7	167.3	171.6	169.6	0	112.5	R104 E105 A115	R104-K108 WeakPolarHBondContact O-CG 3.41Å; R104-K108 PolarHBondContact O-N 3.39Å; E105-K108 VanDerWaalsContact CD-CD 3.5Å; E105-K108 VanDerWaalsContact OE1-CD 3.22Å; E105-K108 WeakPolarHBondContact OE1-CD 3.41Å; E105-K108 IonicContact OE1-NZ 3.73Å; E105-K108 PolarHBondContact OE1-NZ 3.22Å; E105-K108 WeakPolarHBondContact OE2-CD 3.42Å; E105-K108 IonicContact OE2-NZ 2.7Å; E105-K108 PolarHBondContact OE2-NZ 3.14Å; K108-A115 HydrophobicContact CG-CB 3.88Å
109	Q	60.3	Low	47.9	Very low	169 Å²	169	115.5 Å²	115.5	79%	0.79	62%	0.618	S	S	*	*	H	α-helix	trans	-70.4	-33.3	-179	-73.2	-175.3	-1.6	0	0	113.4	E105 I106 M107	E105-Q109 PolarHBondContact O-N 2.94Å; I106-Q109 PolarHBondContact O-N 2.74Å; M107-Q109 VanDerWaalsContact C-N 3.28Å; M107-Q109 PolarHBondContact O-N 2.96Å
110	K	62.1	Low	48.4	Very low	159 Å²	159	115.2 Å²	115.2	69%	0.691	61%	0.608	S	S	*	*	H	α-helix	trans	-89.9	-36.5	-175.6	-70.4	-179.7	177.9	177.6	0	113.8	I106 M107	I106-K110 HydrophobicContact CG2-CD 4.34Å; I106-K110 PolarHBondContact O-N 2.78Å; M107-K110 PolarHBondContact O-N 3.17Å
111	L	45.7	Very low	49.1	Very low	93 Å²	93	117.6 Å²	117.6	49%	0.487	62%	0.62	S	S	.	*			trans	-141.5	71.5	-172.2	-71.3	169.1	0	0	0	110.9	M107 A113 L114	M107-L111 PolarHBondContact O-N 3.25Å; L111-A113 PolarHBondContact O-N 2.89Å; L111-A113 VanDerWaalsContact O-N 3.11Å; L111-L114 HydrophobicContact CB-CB 4.27Å; L111-L114 HydrophobicContact CB-CD1 4.12Å; L111-L114 HydrophobicContact CD1-CD1 3.87Å; L111-L114 HydrophobicContact CG-CD1 4.41Å; L111-L114 PolarHBondContact O-N 3.01Å
112	P	43.1	Very low	49.5	Very low	94 Å²	94	117.7 Å²	117.7	61%	0.61	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-59	-29.1	-173.3	21.7	-33.6	0	0	0	114.1	L114 A115	P112-L114 VanDerWaalsContact C-N 3.28Å; P112-L114 PolarHBondContact O-N 2.87Å; P112-A115 PolarHBondContact O-N 2.99Å
113	A	48.8	Very low	49.6	Very low	85 Å²	85	118 Å²	118	70%	0.702	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-68	-22.7	176.9	0	0	0	0	0	114.2	L111	L111-A113 PolarHBondContact O-N 2.89Å; L111-A113 VanDerWaalsContact O-N 3.11Å
114	L	46.4	Very low	49.8	Very low	142 Å²	142	119.2 Å²	119.2	74%	0.743	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-93.5	-2.3	-179.2	-84.6	157.8	0	0	0	113.5	L111 P112	L111-L114 HydrophobicContact CB-CB 4.27Å; L111-L114 HydrophobicContact CB-CD1 4.12Å; L111-L114 HydrophobicContact CD1-CD1 3.87Å; L111-L114 HydrophobicContact CG-CD1 4.41Å; L111-L114 PolarHBondContact O-N 3.01Å; P112-L114 VanDerWaalsContact C-N 3.28Å; P112-L114 PolarHBondContact O-N 2.87Å
115	A	45.3	Very low	50.2	Low	47 Å²	47	116.3 Å²	116.3	39%	0.388	61%	0.613	S	S	.	*	S	Bend	trans	-102.7	3.9	-176.9	0	0	0	0	0	114.2	K108 P112	K108-A115 HydrophobicContact CG-CB 3.88Å; P112-A115 PolarHBondContact O-N 2.99Å
116	M	49.4	Very low	50.5	Low	142 Å²	142	116.9 Å²	116.9	70%	0.7	62%	0.619	S	S	*	*	S	Bend	trans	-76.1	139.9	179.2	-64.3	-164.5	-64.4	0	0	111.7
117	P	41.5	Very low	50.4	Low	122 Å²	122	118.2 Å²	118.2	79%	0.792	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-66.7	135.7	171	-16.4	30.4	0	0	0	111	E119	P117-E119 PolarHBondContact O-N 2.88Å
118	N	49.3	Very low	50.8	Low	163 Å²	163	116.8 Å²	116.8	87%	0.872	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-63.5	116.4	173.6	-68.7	-20	0	0	0	110.4
119	E	50	Low	50.9	Low	125 Å²	125	116.8 Å²	116.8	58%	0.584	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-63	151.9	168.8	-84.1	-150.6	106.9	0	0	111.3	P117 V121 K123	P117-E119 PolarHBondContact O-N 2.88Å; E119-V121 PolarHBondContact O-N 3.27Å; E119-K123 WeakPolarHBondContact OE1-CD 3.41Å; E119-K123 IonicContact OE1-NZ 2.65Å; E119-K123 PolarHBondContact OE1-NZ 2.93Å; E119-K123 VanDerWaalsContact OE2-CD 3.29Å; E119-K123 WeakPolarHBondContact OE2-CD 3.27Å; E119-K123 IonicContact OE2-NZ 2.87Å; E119-K123 PolarHBondContact OE2-NZ 3.17Å
120	P	42.6	Very low	51.1	Low	93 Å²	93	112.8 Å²	112.8	60%	0.604	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-63.6	128.3	-176.4	25.1	-34.5	0	0	0	111.8	K122 K123	P120-K122 PolarHBondContact O-N 3.5Å; P120-K123 PolarHBondContact O-N 2.68Å
121	V	47.5	Very low	51	Low	106 Å²	106	110.6 Å²	110.6	64%	0.642	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.5	-29.7	-172.4	-178.1	0	0	0	0	114.7	E119 K123 L124 M125	E119-V121 PolarHBondContact O-N 3.27Å; V121-K123 PolarHBondContact O-N 2.96Å; V121-L124 PolarHBondContact O-N 3.46Å; V121-M125 HydrophobicContact CG1-CG 4.02Å; V121-M125 HydrophobicContact CG1-SD 3.94Å; V121-M125 WeakPolarHBondContact O-CG 3.5Å; V121-M125 PolarHBondContact O-N 3Å
122	K	47.3	Very low	51.5	Low	169 Å²	169	112.7 Å²	112.7	74%	0.735	61%	0.607	S	S	*	*	H	α-helix	trans	-54.1	-33.9	174.2	-74.1	-170.5	172.3	-173.3	0	114	P120 N126	P120-K122 PolarHBondContact O-N 3.5Å; K122-N126 WeakPolarHBondContact O-CB 3.33Å; K122-N126 VanDerWaalsContact O-CG 3.23Å; K122-N126 PolarHBondContact O-N 3.01Å; K122-N126 PolarHBondContact O-OD1 3.22Å
123	K	50.5	Low	52.2	Low	99 Å²	99	112 Å²	112	43%	0.43	61%	0.605	S	S	.	*	H	α-helix	trans	-68.8	-48.2	180	-142.9	-175.1	179	-170.7	0	110.6	E119 P120 V121 M125 N126 E127	E119-K123 WeakPolarHBondContact OE1-CD 3.41Å; E119-K123 IonicContact OE1-NZ 2.65Å; E119-K123 PolarHBondContact OE1-NZ 2.93Å; E119-K123 VanDerWaalsContact OE2-CD 3.29Å; E119-K123 WeakPolarHBondContact OE2-CD 3.27Å; E119-K123 IonicContact OE2-NZ 2.87Å; E119-K123 PolarHBondContact OE2-NZ 3.17Å; P120-K123 PolarHBondContact O-N 2.68Å; V121-K123 PolarHBondContact O-N 2.96Å; K123-M125 PolarHBondContact O-N 3.01Å; K123-N126 PolarHBondContact O-N 3.26Å; K123-E127 PolarHBondContact O-N 3.45Å
124	L	49.9	Very low	52.6	Low	113 Å²	113	113.5 Å²	113.5	59%	0.592	60%	0.595	S	S	*	*	H	α-helix	trans	-66.6	-35.8	177.4	-144.7	84.7	0	0	0	112.3	V121 E127 L128	V121-L124 PolarHBondContact O-N 3.46Å; L124-E127 PolarHBondContact O-N 3.23Å; L124-L128 HydrophobicContact CG-CD1 4.44Å; L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CD1 3.37Å; L124-L128 PolarHBondContact O-N 3.34Å
125	M	53.2	Low	53	Low	115 Å²	115	115.2 Å²	115.2	57%	0.567	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-46.6	172.9	-75.9	-178.9	123.3	0	0	111.6	V121 K123 E127 L128 D129	V121-M125 HydrophobicContact CG1-CG 4.02Å; V121-M125 HydrophobicContact CG1-SD 3.94Å; V121-M125 WeakPolarHBondContact O-CG 3.5Å; V121-M125 PolarHBondContact O-N 3Å; K123-M125 PolarHBondContact O-N 3.01Å; M125-E127 VanDerWaalsContact C-N 3.3Å; M125-E127 PolarHBondContact O-N 3.44Å; M125-L128 CarbonylContact O-C 3.58Å; M125-L128 PolarHBondContact O-N 2.91Å; M125-L128 VanDerWaalsContact O-N 3.14Å; M125-D129 WeakPolarHBondContact O-CB 3.38Å; M125-D129 PolarHBondContact O-N 3.1Å
126	N	62.1	Low	53.2	Low	111 Å²	111	119.1 Å²	119.1	59%	0.594	60%	0.6	S	S	*	*	H	α-helix	trans	-60.6	-38.9	176	-73.5	14.2	0	0	0	112.1	K122 K123 D129 D130	K122-N126 WeakPolarHBondContact O-CB 3.33Å; K122-N126 VanDerWaalsContact O-CG 3.23Å; K122-N126 PolarHBondContact O-N 3.01Å; K122-N126 PolarHBondContact O-OD1 3.22Å; K123-N126 PolarHBondContact O-N 3.26Å; N126-D129 PolarHBondContact O-N 2.95Å; N126-D130 WeakPolarHBondContact O-CB 3.44Å; N126-D130 PolarHBondContact O-N 3.08Å
127	E	56.7	Low	53.1	Low	113 Å²	113	113.4 Å²	113.4	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-69.7	-35.1	175.1	-72.5	178	170.5	0	0	112.5	K123 L124 M125 L131	K123-E127 PolarHBondContact O-N 3.45Å; L124-E127 PolarHBondContact O-N 3.23Å; M125-E127 VanDerWaalsContact C-N 3.3Å; M125-E127 PolarHBondContact O-N 3.44Å; E127-L131 WeakPolarHBondContact O-CB 3.46Å; E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.07Å
128	L	55.9	Low	53.4	Low	91 Å²	91	113 Å²	113	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-67.2	-41.2	171.2	-104.6	81.2	0	0	0	112.5	L124 M125 D130 L131 F132	L124-L128 HydrophobicContact CG-CD1 4.44Å; L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CD1 3.37Å; L124-L128 PolarHBondContact O-N 3.34Å; M125-L128 CarbonylContact O-C 3.58Å; M125-L128 PolarHBondContact O-N 2.91Å; M125-L128 VanDerWaalsContact O-N 3.14Å; L128-D130 VanDerWaalsContact C-N 3.35Å; L128-L131 CarbonylContact O-C 3.53Å; L128-L131 PolarHBondContact O-N 2.93Å; L128-F132 WeakPolarHBondContact O-CB 3.34Å; L128-F132 PolarHBondContact O-N 3.37Å
129	D	61.9	Low	53.4	Low	101 Å²	101	108.8 Å²	108.8	54%	0.54	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-36.7	178.6	-75.5	-28	0	0	0	111.3	M125 N126 F132 S133	M125-D129 WeakPolarHBondContact O-CB 3.38Å; M125-D129 PolarHBondContact O-N 3.1Å; N126-D129 PolarHBondContact O-N 2.95Å; D129-F132 PolarHBondContact O-N 3.32Å; D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.28Å; D129-S133 PolarHBondContact O-N 2.77Å; D129-S133 PolarHBondContact O-OG 2.98Å
130	D	63.6	Low	53.2	Low	86 Å²	86	108.2 Å²	108.2	46%	0.46	55%	0.546	S	S	.	.	H	α-helix	trans	-71.3	-35	174.6	-160.9	59.3	0	0	0	111.6	N126 L128 K134	N126-D130 WeakPolarHBondContact O-CB 3.44Å; N126-D130 PolarHBondContact O-N 3.08Å; L128-D130 VanDerWaalsContact C-N 3.35Å; D130-K134 WeakPolarHBondContact O-CB 3.26Å; D130-K134 WeakPolarHBondContact O-CD 3.49Å; D130-K134 VanDerWaalsContact O-CG 3.29Å; D130-K134 WeakPolarHBondContact O-CG 3.47Å; D130-K134 PolarHBondContact O-N 3.12Å; D130-K134 WeakPolarHBondContact OD2-CE 3.12Å; D130-K134 IonicContact OD2-NZ 2.65Å; D130-K134 PolarHBondContact OD2-NZ 3.14Å
131	L	60	Low	53.2	Low	113 Å²	113	108.5 Å²	108.5	59%	0.592	54%	0.543	S	S	*	.	H	α-helix	trans	-68.3	-42.7	169.7	-81.3	166.5	0	0	0	112.8	E127 L128 S133 K134 W135	E127-L131 WeakPolarHBondContact O-CB 3.46Å; E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.07Å; L128-L131 CarbonylContact O-C 3.53Å; L128-L131 PolarHBondContact O-N 2.93Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-K134 PolarHBondContact O-N 3.49Å; L131-W135 WeakPolarHBondContact O-CB 3.5Å; L131-W135 PolarHBondContact O-N 3.46Å
132	F	55.9	Low	52.9	Low	136 Å²	136	107 Å²	107	60%	0.596	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-40.5	174.9	-107.9	-90.5	0	0	0	111	L128 D129 W135 K136	L128-F132 WeakPolarHBondContact O-CB 3.34Å; L128-F132 PolarHBondContact O-N 3.37Å; D129-F132 PolarHBondContact O-N 3.32Å; F132-W135 PolarHBondContact O-N 3.24Å; F132-K136 VanDerWaalsContact O-CB 3.28Å; F132-K136 WeakPolarHBondContact O-CB 3.3Å; F132-K136 PolarHBondContact O-N 2.96Å
133	S	59.3	Low	52.6	Low	80 Å²	80	103.3 Å²	103.3	56%	0.559	54%	0.542	S	S	*	.	H	α-helix	trans	-64	-42.7	175.7	-60.9	0	0	0	0	111.6	D129 L131 G137	D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.28Å; D129-S133 PolarHBondContact O-N 2.77Å; D129-S133 PolarHBondContact O-OG 2.98Å; L131-S133 VanDerWaalsContact C-N 3.34Å; S133-G137 PolarHBondContact O-N 3.26Å
134	K	55.9	Low	52	Low	116 Å²	116	102.4 Å²	102.4	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-64.6	-39.8	172.6	-76.7	162.7	179.9	155.4	0	112.6	D130 L131 N138	D130-K134 WeakPolarHBondContact O-CB 3.26Å; D130-K134 WeakPolarHBondContact O-CD 3.49Å; D130-K134 VanDerWaalsContact O-CG 3.29Å; D130-K134 WeakPolarHBondContact O-CG 3.47Å; D130-K134 PolarHBondContact O-N 3.12Å; D130-K134 WeakPolarHBondContact OD2-CE 3.12Å; D130-K134 IonicContact OD2-NZ 2.65Å; D130-K134 PolarHBondContact OD2-NZ 3.14Å; L131-K134 PolarHBondContact O-N 3.49Å; K134-N138 WeakPolarHBondContact O-CB 3.41Å; K134-N138 VanDerWaalsContact O-CG 3.24Å; K134-N138 PolarHBondContact O-N 3.11Å; K134-N138 PolarHBondContact O-ND2 3.05Å
135	W	55.2	Low	51.1	Low	178 Å²	178	102.2 Å²	102.2	67%	0.674	55%	0.548	S	S	*	.	H	α-helix	trans	-68.3	-45.1	178.4	-163	74.9	0	0	0	111.5	L131 F132 N138 V139	L131-W135 WeakPolarHBondContact O-CB 3.5Å; L131-W135 PolarHBondContact O-N 3.46Å; F132-W135 PolarHBondContact O-N 3.24Å; W135-N138 PolarHBondContact O-N 2.6Å; W135-N138 VanDerWaalsContact O-N 3.16Å; W135-V139 HydrophobicContact CD2-CG2 4.32Å; W135-V139 HydrophobicContact CE3-CG2 4.33Å; W135-V139 HydrophobicContact CH2-CG2 4.47Å; W135-V139 HydrophobicContact CZ2-CG2 4.45Å; W135-V139 HydrophobicContact CZ3-CG2 4.41Å; W135-V139 WeakPolarHBondContact O-CG2 3.27Å; W135-V139 PolarHBondContact O-N 3.17Å
136	K	49.1	Very low	50.1	Low	129 Å²	129	100.6 Å²	100.6	56%	0.561	56%	0.561	S	S	*	*	H	α-helix	trans	-62.6	-45.2	176.5	-157.2	-178.8	-176	-172.9	0	111.6	F132 N138 V139 E140	F132-K136 VanDerWaalsContact O-CB 3.28Å; F132-K136 WeakPolarHBondContact O-CB 3.3Å; F132-K136 PolarHBondContact O-N 2.96Å; K136-N138 VanDerWaalsContact C-N 3.3Å; K136-N138 PolarHBondContact O-N 3.02Å; K136-V139 PolarHBondContact O-N 3.12Å; K136-E140 WeakPolarHBondContact CE-OE1 3.4Å; K136-E140 WeakPolarHBondContact O-CB 3.36Å; K136-E140 WeakPolarHBondContact O-CG 3.32Å; K136-E140 PolarHBondContact O-N 3.15Å
137	G	47.4	Very low	48.6	Very low	23 Å²	23	102.2 Å²	102.2	24%	0.237	57%	0.57	C	S	.	*	H	α-helix	trans	-60.5	-35.5	172.5	0	0	0	0	0	113.4	S133 N141	S133-G137 PolarHBondContact O-N 3.26Å; G137-N141 WeakPolarHBondContact O-CB 3.45Å; G137-N141 PolarHBondContact O-N 3.32Å; G137-N141 PolarHBondContact O-ND2 3.1Å
138	N	49.3	Very low	47.3	Very low	114 Å²	114	102.9 Å²	102.9	61%	0.61	58%	0.582	S	S	*	*	H	α-helix	trans	-71.2	-36.4	174.3	-77.1	-16.1	0	0	0	112.8	K134 W135 K136 A142	K134-N138 WeakPolarHBondContact O-CB 3.41Å; K134-N138 VanDerWaalsContact O-CG 3.24Å; K134-N138 PolarHBondContact O-N 3.11Å; K134-N138 PolarHBondContact O-ND2 3.05Å; W135-N138 PolarHBondContact O-N 2.6Å; W135-N138 VanDerWaalsContact O-N 3.16Å; K136-N138 VanDerWaalsContact C-N 3.3Å; K136-N138 PolarHBondContact O-N 3.02Å; N138-A142 VanDerWaalsContact O-CB 3.24Å; N138-A142 WeakPolarHBondContact O-CB 3.31Å; N138-A142 PolarHBondContact O-N 3.41Å
139	V	48.6	Very low	46	Very low	73 Å²	73	107.2 Å²	107.2	44%	0.442	60%	0.596	S	S	.	*	H	α-helix	trans	-68.8	-42.9	175.1	172.5	0	0	0	0	111	W135 K136 A142 A143	W135-V139 HydrophobicContact CD2-CG2 4.32Å; W135-V139 HydrophobicContact CE3-CG2 4.33Å; W135-V139 HydrophobicContact CH2-CG2 4.47Å; W135-V139 HydrophobicContact CZ2-CG2 4.45Å; W135-V139 HydrophobicContact CZ3-CG2 4.41Å; W135-V139 WeakPolarHBondContact O-CG2 3.27Å; W135-V139 PolarHBondContact O-N 3.17Å; K136-V139 PolarHBondContact O-N 3.12Å; V139-A142 PolarHBondContact O-N 3.47Å; V139-A143 PolarHBondContact O-N 2.92Å
140	E	44.5	Very low	44.4	Very low	113 Å²	113	111.8 Å²	111.8	53%	0.528	62%	0.615	S	S	.	*	H	α-helix	trans	-65.1	-42	176.6	-71.1	169.4	-170.7	0	0	111.4	K136 A142 A143 S144	K136-E140 WeakPolarHBondContact CE-OE1 3.4Å; K136-E140 WeakPolarHBondContact O-CB 3.36Å; K136-E140 WeakPolarHBondContact O-CG 3.32Å; K136-E140 PolarHBondContact O-N 3.15Å; E140-A142 VanDerWaalsContact C-N 3.34Å; E140-A142 PolarHBondContact O-N 3.3Å; E140-A143 PolarHBondContact O-N 3.37Å; E140-S144 PolarHBondContact O-N 3.33Å; E140-S144 PolarHBondContact O-OG 2.76Å
141	N	43.2	Very low	43	Very low	99 Å²	99	113.5 Å²	113.5	53%	0.529	63%	0.633	S	S	.	*	H	α-helix	trans	-70	-24.8	173.2	-79.8	-71.6	0	0	0	114	G137 S144 N145	G137-N141 WeakPolarHBondContact O-CB 3.45Å; G137-N141 PolarHBondContact O-N 3.32Å; G137-N141 PolarHBondContact O-ND2 3.1Å; N141-S144 PolarHBondContact O-OG 3.26Å; N141-N145 PolarHBondContact O-ND2 2.89Å
142	A	41.6	Very low	41.6	Very low	75 Å²	75	114.2 Å²	114.2	62%	0.62	64%	0.642	S	S	*	*	H	α-helix	trans	-75.3	-37.1	173.4	0	0	0	0	0	111.7	N138 V139 E140 S144	N138-A142 VanDerWaalsContact O-CB 3.24Å; N138-A142 WeakPolarHBondContact O-CB 3.31Å; N138-A142 PolarHBondContact O-N 3.41Å; V139-A142 PolarHBondContact O-N 3.47Å; E140-A142 VanDerWaalsContact C-N 3.34Å; E140-A142 PolarHBondContact O-N 3.3Å; A142-S144 VanDerWaalsContact C-N 3.3Å; A142-S144 PolarHBondContact O-N 3.36Å
143	A	40.2	Very low	40.6	Very low	91 Å²	91	113 Å²	113	75%	0.752	64%	0.642	S	S	*	*	H	α-helix	trans	-68.2	-27.1	175.2	0	0	0	0	0	113.1	V139 E140	V139-A143 PolarHBondContact O-N 2.92Å; E140-A143 PolarHBondContact O-N 3.37Å
144	S	38.7	Very low	39.3	Very low	80 Å²	80	118.7 Å²	118.7	56%	0.559	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	1.9	-174.5	73.5	0	0	0	0	116.1	E140 N141 A142	E140-S144 PolarHBondContact O-N 3.33Å; E140-S144 PolarHBondContact O-OG 2.76Å; N141-S144 PolarHBondContact O-OG 3.26Å; A142-S144 VanDerWaalsContact C-N 3.3Å; A142-S144 PolarHBondContact O-N 3.36Å
145	N	30.9	Very low	38.4	Very low	109 Å²	109	121.6 Å²	121.6	58%	0.583	66%	0.664	S	S	*	*			trans	-124.1	23.6	-171.7	-79.9	-69.7	0	0	0	114.6	N141 D147	N141-N145 PolarHBondContact O-ND2 2.89Å; N145-D147 PolarHBondContact O-N 2.76Å
146	G	31.5	Very low	37.5	Very low	82 Å²	82	119.5 Å²	119.5	85%	0.845	67%	0.666	S	S	*	*			trans	-73.5	36.1	-178.9	0	0	0	0	0	116.4
147	D	30.7	Very low	36.9	Very low	144 Å²	144	120 Å²	120	77%	0.77	67%	0.674	S	S	*	*			trans	-126.9	65.2	-164.9	-149.7	-1.9	0	0	0	113.2	N145	N145-D147 PolarHBondContact O-N 2.76Å
148	V	30.4	Very low	36.5	Very low	128 Å²	128	126.9 Å²	126.9	78%	0.776	70%	0.698	S	S	*	*			trans	-133	87.7	-179.1	-173.6	0	0	0	0	109.5
149	K	28.9	Very low	36	Very low	181 Å²	181	126 Å²	126	79%	0.787	70%	0.701	S	S	*	*				67.3	114.5	95.5	-73.3	174.4	179.3	162.6	0	115.9
150	E	27.4	Very low	35.5	Very low	198 Å²	198	127.8 Å²	127.8	93%	0.925	71%	0.712	S	S	*	*			trans	-53.9	141.5	161.9	-56.2	172.4	113.3	0	0	111.2
151	S	34.1	Very low	35.3	Very low	121 Å²	121	130.3 Å²	130.3	85%	0.846	72%	0.721	S	S	*	*			trans	-146.5	147.2	165.1	57.7	0	0	0	0	110.7
152	V	30.9	Very low	35	Very low	129 Å²	129	136.1 Å²	136.1	78%	0.782	74%	0.736	S	S	*	*			trans	-121	127.3	-166.3	172.4	0	0	0	0	109.6
153	D	34.5	Very low	34.7	Very low	110 Å²	110	144 Å²	144	59%	0.588	75%	0.75	S	S	*	*				-173.6	138.1	128.2	-107.8	-31.4	0	0	0	115.6
154	R	32.4	Very low	34.7	Very low	200 Å²	200	148.2 Å²	148.2	76%	0.755	75%	0.751	S	S	*	*			trans	44.1	123.1	145.6	-60.1	162.7	-138.8	-169.1	15.4	118.7
155	K	37.4	Very low	34.7	Very low	177 Å²	177	149.4 Å²	149.4	77%	0.77	75%	0.751	S	S	*	*				-159.5	151.1	61.6	-85.8	-178	178.1	177.8	0	113.8
156	D	36	Very low	35	Very low	134 Å²	134	155.3 Å²	155.3	72%	0.717	77%	0.765	S	S	*	*			trans	39	131.1	134.4	-36.2	-28.5	0	0	0	118.8
157	D	37.5	Very low	35.2	Very low	138 Å²	138	160.3 Å²	160.3	74%	0.738	76%	0.764	S	S	*	*			cis	-165.4	177.7	12.4	-149.5	-15.1	0	0	0	114.3
158	F	38.2	Very low	35.5	Very low	168 Å²	168	162 Å²	162	74%	0.737	77%	0.767	S	S	*	*			trans	69.9	86.5	160.2	-86.8	-87.8	0	0	0	123.3
159	S	38.4	Very low	35.8	Very low	96 Å²	96	160.4 Å²	160.4	67%	0.671	76%	0.761	S	S	*	*				79.1	146.6	122.4	83.7	0	0	0	0	121.9
160	T	39.1	Very low	36.1	Very low	110 Å²	110	158.5 Å²	158.5	68%	0.675	76%	0.76	S	S	*	*			cis	-156.2	143.6	-21.7	15.3	0	0	0	0	114.9
161	K	39.6	Very low	36.6	Very low	167 Å²	167	155.3 Å²	155.3	73%	0.726	75%	0.754	S	S	*	*			trans	80.4	102.6	141.1	-70.9	164.2	-175.3	165.7	0	123.6
162	R	37.2	Very low	36.7	Very low	221 Å²	221	154.6 Å²	154.6	83%	0.834	75%	0.749	S	S	*	*				72.4	122.1	127.6	-61.4	171.4	178.7	-176.1	-3	118.8
163	R	35.9	Very low	37	Very low	240 Å²	240	153.2 Å²	153.2	91%	0.906	75%	0.745	S	S	*	*			cis	87	125.8	36.8	-75.8	-166.9	172.7	-177.8	-0.5	116.4
164	K	39.1	Very low	37.1	Very low	180 Å²	180	159 Å²	159	78%	0.783	76%	0.759	S	S	*	*				-170.2	133.9	112.8	-106.1	-166	166	-110	0	115.1
165	D	39.5	Very low	37.2	Very low	104 Å²	104	160.3 Å²	160.3	56%	0.556	76%	0.764	S	S	*	*			trans	44.1	143.9	132.5	-48.8	-13.6	0	0	0	122.3
166	R	36.7	Very low	37	Very low	234 Å²	234	162 Å²	162	88%	0.883	77%	0.765	S	S	*	*			cis	-165.2	178.6	-9.6	-117.9	176.1	178.2	-174.1	-3.7	111.8
167	K	35.5	Very low	37	Very low	187 Å²	187	164.7 Å²	164.7	81%	0.813	77%	0.77	S	S	*	*			trans	-68.9	166.7	178.7	-50.7	-178.6	176.6	-176.2	0	113.2
168	E	37.4	Very low	36.8	Very low	178 Å²	178	169.4 Å²	169.4	83%	0.832	78%	0.778	S	S	*	*				-167	-158.6	72.1	-144.7	124.5	-105.8	0	0	114.3
169	S	36.6	Very low	36.7	Very low	95 Å²	95	166.2 Å²	166.2	66%	0.664	78%	0.777	S	S	*	*			trans	-122.4	161.8	-146.6	54.6	0	0	0	0	119.6
170	D	34.9	Very low	36.3	Very low	142 Å²	142	166.6 Å²	166.6	76%	0.759	78%	0.779	S	S	*	*			trans	38.3	123.6	149.8	-56.3	-36.2	0	0	0	123.3
171	T	37.3	Very low	36.2	Very low	131 Å²	131	165.9 Å²	165.9	80%	0.804	78%	0.779	S	S	*	*				166.2	138.9	101.2	40	0	0	0	0	115.7
172	S	36.1	Very low	35.8	Very low	106 Å²	106	168.7 Å²	168.7	74%	0.741	79%	0.785	S	S	*	*			trans	72.3	115.9	145.2	83.6	0	0	0	0	123.9
173	S	37.2	Very low	35.6	Very low	100 Å²	100	163.6 Å²	163.6	70%	0.699	78%	0.783	S	S	*	*				94.1	143.7	124.4	90.4	0	0	0	0	123.8
174	R	37.1	Very low	35.4	Very low	230 Å²	230	156.1 Å²	156.1	87%	0.868	77%	0.773	S	S	*	*			trans	66.4	88.4	146.3	-71.3	170.3	178.4	177.2	0.8	121.7
175	R	33.9	Very low	35.3	Very low	228 Å²	228	155.8 Å²	155.8	86%	0.86	77%	0.774	S	S	*	*				36.5	122.2	115.1	-97	-177.4	175	177.8	0.1	119.8
176	R	34.7	Very low	34.8	Very low	212 Å²	212	160.3 Å²	160.3	80%	0.8	78%	0.783	S	S	*	*			trans	112.4	112.2	137.6	-71.7	171.6	169.4	174.7	-2.7	119.8
177	K	36	Very low	34.9	Very low	191 Å²	191	155.9 Å²	155.9	83%	0.83	77%	0.772	S	S	*	*			trans	71.8	152	131.3	-67.8	-171.9	173.4	-172.2	0	120.2
178	R	32.6	Very low	35.2	Very low	237 Å²	237	154.2 Å²	154.2	89%	0.894	77%	0.765	S	S	*	*			trans	78.3	145.2	173	-61.9	176.1	171.1	151.8	-4.6	115.6
179	S	35.5	Very low	35.2	Very low	102 Å²	102	155.6 Å²	155.6	71%	0.713	76%	0.762	S	S	*	*			cis	157.8	132.9	-44.4	54.2	0	0	0	0	109.4
180	S	30.8	Very low	35.3	Very low	103 Å²	103	159.8 Å²	159.8	72%	0.72	76%	0.764	S	S	*	*			trans	73.8	143.2	154.6	-172.8	0	0	0	0	119.7
181	S	37.4	Very low	35.3	Very low	95 Å²	95	163 Å²	163	66%	0.664	77%	0.765	S	S	*	*			trans	69.9	143.4	149.9	36.9	0	0	0	0	119.1
182	R	30.4	Very low	35.5	Very low	226 Å²	226	162 Å²	162	85%	0.853	76%	0.764	S	S	*	*			cis	-167.7	149.4	-6.5	-118.5	170	-174.7	169.7	0.5	109
183	S	33.2	Very low	35.2	Very low	115 Å²	115	167.8 Å²	167.8	80%	0.804	77%	0.769	S	S	*	*			trans	55.2	144.1	158.8	50	0	0	0	0	117.1
184	A	32.6	Very low	35.2	Very low	83 Å²	83	168 Å²	168	69%	0.686	77%	0.771	S	S	*	*				175.1	168.7	60.2	0	0	0	0	0	107.1
185	E	35.1	Very low	35.1	Very low	172 Å²	172	161.7 Å²	161.7	80%	0.804	76%	0.762	S	S	*	*			cis	-155.1	166.1	-19.1	-118.2	-174.9	112.5	0	0	111.7
186	R	29.3	Very low	35.1	Very low	200 Å²	200	156.9 Å²	156.9	76%	0.755	75%	0.754	S	S	*	*			trans	-19.1	156.6	167.1	-96.2	170.7	168.5	167.6	-4	121.1
187	H	39.5	Very low	35.1	Very low	140 Å²	140	152.8 Å²	152.8	65%	0.648	75%	0.748	S	S	*	*			trans	83.6	155.4	148.2	-74.7	-39.6	0	0	0	117.9
188	K	41.3	Very low	35.2	Very low	153 Å²	153	155.7 Å²	155.7	67%	0.665	75%	0.753	S	S	*	*			cis	-158.2	134.5	13.2	-119.6	143.9	-158.2	164.9	0	108.2
189	R	38.7	Very low	35.3	Very low	206 Å²	206	153.5 Å²	153.5	78%	0.777	75%	0.75	S	S	*	*				134	153.4	106.6	-91.4	159.8	-179.2	177	-1.9	110.4
190	R	38.4	Very low	35.4	Very low	183 Å²	183	159.7 Å²	159.7	69%	0.691	76%	0.758	S	S	*	*			cis	-172.9	152.9	-26.8	-125.9	-173.4	-172.8	171.9	-1.3	111.9
191	R	35.1	Very low	35.7	Very low	209 Å²	209	165.6 Å²	165.6	79%	0.789	76%	0.764	S	S	*	*			trans	73.6	151.2	156.8	-67	166.5	172.7	164.4	-8.4	116.6
192	S	40.4	Very low	35.7	Very low	111 Å²	111	171.7 Å²	171.7	78%	0.776	77%	0.773	S	S	*	*			cis	-173.4	166.2	-4.8	35.6	0	0	0	0	110.4
193	R	30.8	Very low	35.9	Very low	227 Å²	227	172.1 Å²	172.1	86%	0.857	78%	0.775	S	S	*	*			cis	-177.1	155.2	-24.8	-174.7	-173	-172	-166.6	2.6	108.8
194	S	36	Very low	36.2	Very low	104 Å²	104	171.9 Å²	171.9	73%	0.727	77%	0.773	S	S	*	*			trans	67.1	152.5	161.2	36.5	0	0	0	0	118.2
195	S	35.8	Very low	36.5	Very low	99 Å²	99	179.6 Å²	179.6	69%	0.692	78%	0.784	S	S	*	*			cis	-155.3	160.7	-6.4	-128	0	0	0	0	114.3
196	D	34.2	Very low	36.8	Very low	127 Å²	127	177.2 Å²	177.2	68%	0.679	79%	0.786	S	S	*	*			trans	64	119.2	145.1	-76.1	-75.6	0	0	0	126.9
197	N	34.1	Very low	37.2	Very low	126 Å²	126	178.4 Å²	178.4	67%	0.674	79%	0.791	S	S	*	*			trans	56.1	108.5	131.5	-87.8	-66.4	0	0	0	123.9
198	R	38.1	Very low	37	Very low	251 Å²	251	183 Å²	183	95%	0.947	80%	0.803	S	S	*	*				-176.9	-179.4	117	-95.7	160.6	-173.4	-161.4	1.8	112.5
199	K	34.6	Very low	36.6	Very low	192 Å²	192	187.3 Å²	187.3	84%	0.835	82%	0.815	S	S	*	*			trans	-131.2	136.2	-157.4	-56.4	168.4	179.7	172.1	0	115.3
200	R	36.9	Very low	36.4	Very low	232 Å²	232	180.5 Å²	180.5	88%	0.875	80%	0.803	S	S	*	*			trans	153.7	137.7	132.5	-87.3	170.6	165.7	176.5	-3.7	117.1
201	R	37.3	Very low	36.7	Very low	226 Å²	226	175.5 Å²	175.5	85%	0.853	79%	0.794	S	S	*	*			trans	65.5	167.3	169.1	-65.9	170.3	176.1	167.9	-2.3	114.2
202	R	37.6	Very low	37.3	Very low	223 Å²	223	172.6 Å²	172.6	84%	0.842	79%	0.789	S	S	*	*			cis	-160.3	167.8	-17.5	-107.1	173.2	175.8	176.8	-2.7	104.3
203	R	35	Very low	37.8	Very low	236 Å²	236	171.8 Å²	171.8	89%	0.891	78%	0.776	S	S	*	*			cis	-158.3	151.1	-8.6	-138.7	-170.4	-177.9	176.8	-1.4	105.3
204	S	39.7	Very low	39.2	Very low	109 Å²	109	162.7 Å²	162.7	76%	0.762	74%	0.744	S	S	*	*			trans	-176.5	163.6	-179.3	48.9	0	0	0	0	118.4
205	R	39.7	Very low	40.7	Very low	246 Å²	246	159.8 Å²	159.8	93%	0.928	72%	0.724	S	S	*	*			trans	128.9	150	137	-74.3	-179.9	171.8	179.2	-2.3	121.3
206	S	40.9	Very low	42.5	Very low	122 Å²	122	159.3 Å²	159.3	85%	0.853	71%	0.711	S	S	*	*			trans	-163.6	156	156.2	-178.4	0	0	0	0	113.2
207	R	37.9	Very low	44.6	Very low	225 Å²	225	153.4 Å²	153.4	85%	0.849	68%	0.679	S	S	*	*			trans	-177.2	134.6	174.9	-113.6	-177.3	-173.5	-179.4	3.7	118.1
208	R	34.5	Very low	46.7	Very low	236 Å²	236	151.6 Å²	151.6	89%	0.891	67%	0.669	S	S	*	*			trans	71.5	150.7	143.8	-81.4	-171.7	176.6	-172.9	-1.2	124.8
209	R	32.4	Very low	48.8	Very low	243 Å²	243	144.9 Å²	144.9	92%	0.917	65%	0.648	S	S	*	*			trans	-56.5	151.7	-180	-60.7	172.1	174.6	164.2	-3.7	116.7
210	A	35.9	Very low	50.9	Low	64 Å²	64	136.8 Å²	136.8	53%	0.529	62%	0.619	S	S	.	*			trans	43.8	118.4	153.6	0	0	0	0	0	117.9	Q212	A210-Q212 PolarHBondContact O-NE2 3.39Å
211	P	43	Very low	53	Low	77 Å²	77	129.8 Å²	129.8	50%	0.5	60%	0.595	S	S	.	*				-81.4	156.4	106.2	-29.7	38	0	0	0	112.9	L213	P211-L213 WeakPolarHBondContact CB-O 3.46Å
212	Q	49.5	Very low	55.3	Low	148 Å²	148	121.6 Å²	121.6	69%	0.692	57%	0.567	S	S	*	*	S	Bend	cis	128.9	-150.4	11	51.1	68.9	4.3	0	0	107.1	A210	A210-Q212 PolarHBondContact O-NE2 3.39Å
213	L	51	Low	57.7	Low	95 Å²	95	111.7 Å²	111.7	50%	0.497	53%	0.53	S	S	.	.	S	Bend		-84.2	161.4	125.5	-59.3	99.7	0	0	0	106.2	P211 S215 G241 L243	P211-L213 WeakPolarHBondContact CB-O 3.46Å; L213-S215 PolarHBondContact O-N 2.98Å; L213-G241 WeakPolarHBondContact CD2-O 3.48Å; L213-L243 HydrophobicContact CB-CD2 4.23Å; L213-L243 HydrophobicContact CB-CG 3.96Å; L213-L243 HydrophobicContact CD1-CD2 3.8Å; L213-L243 HydrophobicContact CD1-CG 4.47Å; L213-L243 VanDerWaalsContact O-CD1 3.25Å; L213-L243 WeakPolarHBondContact O-CD1 3.41Å; L213-L243 VanDerWaalsContact O-CG 3.29Å; L213-L243 WeakPolarHBondContact O-CG 3.44Å
214	D	59.6	Low	60.2	Low	35 Å²	35	105.2 Å²	105.2	19%	0.187	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-59.3	130.8	-179.1	-53.6	-44.1	0	0	0	109.7	E216 K221 Y223 L242 L243	D214-E216 PolarHBondContact O-N 3.2Å; D214-K221 IonicContact OD1-NZ 2.78Å; D214-K221 IonicContact OD2-NZ 2.8Å; D214-K221 PolarHBondContact OD2-NZ 3.48Å; D214-Y223 PolarHBondContact OD2-OH 2.91Å; D214-L242 HydrophobicContact CB-CD2 3.71Å; D214-L242 WeakPolarHBondContact O-CA 3.2Å; D214-L243 PolarHBondContact O-N 3.26Å
215	S	66.8	Low	62.5	Low	43 Å²	43	100.1 Å²	100.1	30%	0.301	48%	0.478	S	S	.	.	S	Bend	trans	-75.6	-17.7	-177.1	54.5	0	0	0	0	113.5	L213 K244 F246	L213-S215 PolarHBondContact O-N 2.98Å; S215-K244 WeakPolarHBondContact O-CD 3.43Å; S215-K244 WeakPolarHBondContact O-CE 3.49Å; S215-K244 PolarHBondContact O-NZ 3.27Å; S215-K244 VanDerWaalsContact O-NZ 3.17Å; S215-F246 WeakPolarHBondContact O-CE2 3.48Å
216	E	74.8	Confident	64.9	Low	90 Å²	90	90.1 Å²	90.1	42%	0.421	45%	0.445	S	S	.	.	S	Bend	trans	-154.9	143.3	-173.2	-54.4	-169	164.8	0	0	107	D214 K244 F246 F280	D214-E216 PolarHBondContact O-N 3.2Å; E216-K244 IonicContact OE1-NZ 3.7Å; E216-K244 PolarHBondContact OE1-NZ 3.49Å; E216-F246 HydrophobicContact CB-CE2 4.5Å; E216-F246 HydrophobicContact CB-CZ 4.23Å; E216-F246 HydrophobicContact CG-CE2 4.5Å; E216-F246 HydrophobicContact CG-CZ 4.07Å; E216-F280 HydrophobicContact CB-CE1 3.71Å; E216-F280 HydrophobicContact CB-CZ 3.89Å; E216-F280 HydrophobicContact CG-CE1 4.34Å; E216-F280 HydrophobicContact CG-CZ 4.35Å
217	P	76.7	Confident	67.2	Low	3 Å²	3	84.3 Å²	84.3	2%	0.019	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-71.1	130.8	-173.5	26.7	-33	0	0	0	112.4	Y223 L239 L242 F246 V277 F280 V285	P217-Y223 HydrophobicContact CB-CE2 4.17Å; P217-L239 HydrophobicContact CB-CD1 3.85Å; P217-L239 HydrophobicContact CG-CD1 4.32Å; P217-L242 HydrophobicContact CB-CD1 4.01Å; P217-L242 HydrophobicContact CB-CD2 4.5Å; P217-L242 HydrophobicContact CG-CD1 4.45Å; P217-F246 HydrophobicContact CG-CD1 4.38Å; P217-F246 HydrophobicContact CG-CG 4.27Å; P217-V277 HydrophobicContact CB-CG2 4.08Å; P217-F280 HydrophobicContact CG-CD2 3.56Å; P217-F280 HydrophobicContact CG-CE2 3.82Å; P217-F280 HydrophobicContact CG-CG 4.12Å; P217-V285 HydrophobicContact CB-CG1 4.31Å; P217-V285 HydrophobicContact CG-CB 4.49Å; P217-V285 HydrophobicContact CG-CG1 3.87Å; P217-V285 HydrophobicContact CG-CG2 3.76Å
218	L	79.2	Confident	69.6	Low	87 Å²	87	76 Å²	76	46%	0.455	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-81.7	132.5	-177.4	-61.3	174.8	0	0	0	111.7	K221 Y223 V277	L218-K221 HydrophobicContact CB-CB 4.06Å; L218-K221 HydrophobicContact CB-CD 4.22Å; L218-K221 HydrophobicContact CD1-CD 4Å; L218-K221 WeakPolarHBondContact O-CB 3.46Å; L218-K221 PolarHBondContact O-N 3.31Å; L218-Y223 PolarHBondContact N-OH 3.13Å; L218-Y223 VanDerWaalsContact N-OH 3.15Å; L218-V277 VanDerWaalsContact O-CB 3.29Å; L218-V277 WeakPolarHBondContact O-CB 3.31Å
219	E	82	Confident	72.1	Confident	111 Å²	111	65.7 Å²	65.7	52%	0.519	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	142.7	173.8	-60.6	-174.1	158.8	0	0	111.3	K221 V277 K279 F280	E219-K221 PolarHBondContact O-N 3.37Å; E219-V277 HydrophobicContact CG-CG1 4.37Å; E219-K279 WeakPolarHBondContact OE1-CA 3.41Å; E219-F280 HydrophobicContact CG-CB 4.23Å; E219-F280 PolarHBondContact OE1-N 3.27Å
220	G	77.8	Confident	74.7	Confident	21 Å²	21	56.2 Å²	56.2	22%	0.216	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-21.6	-172.8	0	0	0	0	0	115.2	V277	G220-V277 PolarHBondContact N-O 3.31Å
221	K	81.6	Confident	77.1	Confident	86 Å²	86	60.1 Å²	60.1	37%	0.374	31%	0.314	S	S	.	.			trans	-78.9	140.8	-176.6	-172.1	164.8	173	-179.4	0	112.3	D214 L218 E219 Y223 V277	D214-K221 IonicContact OD1-NZ 2.78Å; D214-K221 IonicContact OD2-NZ 2.8Å; D214-K221 PolarHBondContact OD2-NZ 3.48Å; L218-K221 HydrophobicContact CB-CB 4.06Å; L218-K221 HydrophobicContact CB-CD 4.22Å; L218-K221 HydrophobicContact CD1-CD 4Å; L218-K221 WeakPolarHBondContact O-CB 3.46Å; L218-K221 PolarHBondContact O-N 3.31Å; E219-K221 PolarHBondContact O-N 3.37Å; K221-Y223 HydrophobicContact CB-CD2 4.47Å; K221-Y223 HydrophobicContact CB-CE2 3.84Å; K221-Y223 HydrophobicContact CD-CE1 4.38Å; K221-Y223 HydrophobicContact CD-CE2 4.07Å; K221-Y223 HydrophobicContact CG-CD2 4.3Å; K221-Y223 HydrophobicContact CG-CE2 3.8Å; K221-V277 PolarHBondContact O-N 3.08Å
222	I	85.8	Confident	79	Confident	53 Å²	53	64.9 Å²	64.9	27%	0.272	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.7	171.8	-59.8	171.5	0	0	0	109	K274 V275 K276 V292 D299	I222-K274 HydrophobicContact CG2-CB 4.45Å; I222-V275 WeakPolarHBondContact CA-O 3.41Å; I222-K276 HydrophobicContact CG1-CB 4.08Å; I222-K276 HydrophobicContact CG1-CG 4.17Å; I222-V292 HydrophobicContact CD1-CG1 4.02Å; I222-V292 HydrophobicContact CD1-CG2 3.84Å; I222-V292 HydrophobicContact CG1-CG2 3.89Å; I222-V292 HydrophobicContact CG2-CG1 4.13Å; I222-V292 HydrophobicContact CG2-CG2 4.37Å; I222-D299 HydrophobicContact CD1-CB 4.09Å
223	Y	87.5	Confident	80.7	Confident	15 Å²	15	62.2 Å²	62.2	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.4	173.1	-67.5	-92.7	0	0	0	109.9	D214 P217 L218 K221 L242 V275 V277	D214-Y223 PolarHBondContact OD2-OH 2.91Å; P217-Y223 HydrophobicContact CB-CE2 4.17Å; L218-Y223 PolarHBondContact N-OH 3.13Å; L218-Y223 VanDerWaalsContact N-OH 3.15Å; K221-Y223 HydrophobicContact CB-CD2 4.47Å; K221-Y223 HydrophobicContact CB-CE2 3.84Å; K221-Y223 HydrophobicContact CD-CE1 4.38Å; K221-Y223 HydrophobicContact CD-CE2 4.07Å; K221-Y223 HydrophobicContact CG-CD2 4.3Å; K221-Y223 HydrophobicContact CG-CE2 3.8Å; Y223-L242 HydrophobicContact CD1-CD2 4.28Å; Y223-L242 HydrophobicContact CD1-CG 4.42Å; Y223-L242 HydrophobicContact CE1-CD2 3.46Å; Y223-L242 VanDerWaalsContact CE1-CD2 3.46Å; Y223-L242 HydrophobicContact CE1-CG 4.06Å; Y223-V275 PolarHBondContact N-O 3.4Å; Y223-V275 WeakPolarHBondContact O-CG2 3.41Å; Y223-V275 PolarHBondContact O-N 3.26Å; Y223-V277 HydrophobicContact CD2-CG2 3.71Å; Y223-V277 HydrophobicContact CE2-CG2 3.8Å
224	D	88	Confident	82.3	Confident	101 Å²	101	57.7 Å²	57.7	54%	0.54	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.4	164.3	-82.7	-38.2	0	0	0	109.8	I240	D224-I240 HydrophobicContact CB-CB 4.23Å; D224-I240 WeakPolarHBondContact O-CB 3.37Å; D224-I240 PolarHBondContact O-N 2.67Å
225	G	87.5	Confident	83.7	Confident	2 Å²	2	56 Å²	56	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.3	-175.1	0	0	0	0	0	113.7	V237 E238 K272 V273	G225-V237 VanDerWaalsContact CA-CG1 3.41Å; G225-E238 WeakPolarHBondContact CA-O 3.44Å; G225-K272 WeakPolarHBondContact O-CA 3.42Å; G225-V273 WeakPolarHBondContact CA-O 3.49Å; G225-V273 PolarHBondContact N-O 2.87Å; G225-V273 PolarHBondContact O-N 3.32Å
226	C	90.2	Very high	84.8	Confident	36 Å²	36	56.2 Å²	56.2	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.6	172.5	-171.5	0	0	0	0	110.3	T228 V237 E238	C226-T228 PolarHBondContact O-N 3.12Å; C226-V237 CarbonylContact O-C 3.59Å; C226-V237 WeakPolarHBondContact O-CA 3.35Å; C226-E238 PolarHBondContact N-O 3.06Å; C226-E238 PolarHBondContact O-N 3.02Å
227	V	90.3	Very high	85.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	100.7	-179.8	-179.9	0	0	0	0	110.4	I230 C235 F236 V237 V267 R268 R270 Q271 V273	V227-I230 HydrophobicContact CG1-CG1 4.04Å; V227-C235 HydrophobicContact CG1-CB 4.19Å; V227-F236 CarbonylContact C-O 3.54Å; V227-F236 WeakPolarHBondContact CA-O 3.43Å; V227-V237 HydrophobicContact CG2-CG2 4.35Å; V227-V267 HydrophobicContact CG2-CB 4.37Å; V227-R268 WeakPolarHBondContact CB-O 3.34Å; V227-R270 PolarHBondContact O-N 3.31Å; V227-Q271 HydrophobicContact CG2-CB 4.31Å; V227-Q271 PolarHBondContact N-O 3.32Å; V227-V273 HydrophobicContact CG2-CG1 4.04Å; V227-V273 HydrophobicContact CG2-CG2 3.97Å
228	T	87.5	Confident	86.2	Confident	51 Å²	51	54 Å²	54	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-41.6	-179.4	55.2	0	0	0	0	112	C226 F236 E238 E247	C226-T228 PolarHBondContact O-N 3.12Å; T228-F236 PolarHBondContact N-O 2.96Å; T228-F236 PolarHBondContact OG1-O 2.85Å; T228-E238 HydrophobicContact CG2-CB 3.59Å; T228-E247 VanDerWaalsContact CB-OE1 3.24Å; T228-E247 WeakPolarHBondContact CB-OE1 3.26Å; T228-E247 WeakPolarHBondContact CG2-OE1 3.34Å; T228-E247 PolarHBondContact OG1-OE1 3.04Å
229	G	86.7	Confident	86.6	Confident	18 Å²	18	50.1 Å²	50.1	19%	0.186	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.3	-174.5	0	0	0	0	0	113.1	C235 F236	G229-C235 CarbonylContact O-C 3.6Å; G229-C235 WeakPolarHBondContact O-CA 3.49Å; G229-F236 PolarHBondContact N-O 3.09Å; G229-F236 PolarHBondContact O-N 3.47Å
230	I	87.9	Confident	86.7	Confident	44 Å²	44	49.2 Å²	49.2	23%	0.226	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.2	173.8	-62.5	171.2	0	0	0	107.3	V227 V263 V267 R269	V227-I230 HydrophobicContact CG1-CG1 4.04Å; I230-V263 HydrophobicContact CG2-CB 4.03Å; I230-V263 HydrophobicContact CG2-CG1 3.83Å; I230-V267 HydrophobicContact CD1-CG2 4.34Å; I230-V267 WeakPolarHBondContact CD1-O 3.28Å; I230-V267 HydrophobicContact CG1-CG2 4.36Å; I230-R269 HydrophobicContact CD1-CG 3.97Å; I230-R269 HydrophobicContact CG1-CG 4.25Å
231	R	86.1	Confident	86.5	Confident	146 Å²	146	50.2 Å²	50.2	55%	0.551	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	166	169.9	-58.5	-168.5	-166.2	-171.5	4.9	109.2	F233 G234 F236 V263	R231-F233 HydrophobicContact CB-CD1 4.24Å; R231-F233 HydrophobicContact CB-CE1 4.02Å; R231-F233 HydrophobicContact CB-CZ 4.3Å; R231-F233 PolarHBondContact O-N 3.07Å; R231-G234 CarbonylContact C-O 3.57Å; R231-G234 PolarHBondContact N-O 3.32Å; R231-G234 PolarHBondContact O-N 2.92Å; R231-F236 HydrophobicContact CG-CE2 4.04Å; R231-V263 WeakPolarHBondContact O-CG2 3.45Å
232	E	82.5	Confident	86.1	Confident	178 Å²	178	47.1 Å²	47.1	83%	0.832	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.1	-177.4	-64.1	164	174	0	0	113.3
233	F	84.6	Confident	85.3	Confident	92 Å²	92	48.9 Å²	48.9	40%	0.404	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-4.6	-178.4	60.6	-99.6	0	0	0	115.2	R231 F236 L249 H251 I252	R231-F233 HydrophobicContact CB-CD1 4.24Å; R231-F233 HydrophobicContact CB-CE1 4.02Å; R231-F233 HydrophobicContact CB-CZ 4.3Å; R231-F233 PolarHBondContact O-N 3.07Å; F233-F236 HydrophobicContact CE2-CE2 4.48Å; F233-L249 HydrophobicContact CD2-CD1 4.13Å; F233-L249 HydrophobicContact CD2-CD2 4.09Å; F233-L249 HydrophobicContact CE2-CD1 3.8Å; F233-L249 HydrophobicContact CE2-CD2 3.85Å; F233-H251 PolarHBondContact O-CD2 3.09Å; F233-I252 PolarHBondContact O-N 3.23Å
234	G	86.2	Confident	84.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	174.5	-177	0	0	0	0	0	114.6	R231 V250	R231-G234 CarbonylContact C-O 3.57Å; R231-G234 PolarHBondContact N-O 3.32Å; R231-G234 PolarHBondContact O-N 2.92Å; G234-V250 CarbonylContact C-O 3.53Å; G234-V250 WeakPolarHBondContact CA-O 3.48Å
235	C	87.8	Confident	84.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.6	175.2	69.4	0	0	0	0	112.4	V227 G229 L249 V250 V263 V267	V227-C235 HydrophobicContact CG1-CB 4.19Å; G229-C235 CarbonylContact O-C 3.6Å; G229-C235 WeakPolarHBondContact O-CA 3.49Å; C235-L249 WeakPolarHBondContact O-CA 3.18Å; C235-V250 PolarHBondContact N-O 2.87Å; C235-V250 PolarHBondContact O-N 2.96Å; C235-V263 HydrophobicContact CB-CG1 4.05Å; C235-V267 HydrophobicContact CB-CG2 3.87Å
236	F	90.8	Very high	83.8	Confident	46 Å²	46	58.7 Å²	58.7	20%	0.202	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.6	173	-70.8	-97.7	0	0	0	108.9	V227 T228 G229 R231 F233 G248 L249	V227-F236 CarbonylContact C-O 3.54Å; V227-F236 WeakPolarHBondContact CA-O 3.43Å; T228-F236 PolarHBondContact N-O 2.96Å; T228-F236 PolarHBondContact OG1-O 2.85Å; G229-F236 PolarHBondContact N-O 3.09Å; G229-F236 PolarHBondContact O-N 3.47Å; R231-F236 HydrophobicContact CG-CE2 4.04Å; F233-F236 HydrophobicContact CE2-CE2 4.48Å; F236-G248 WeakPolarHBondContact CA-O 3.17Å; F236-L249 HydrophobicContact CD2-CD1 4.2Å; F236-L249 HydrophobicContact CE1-CD1 4.38Å; F236-L249 HydrophobicContact CE2-CD1 3.84Å; F236-L249 HydrophobicContact CZ-CD1 3.94Å
237	V	89.5	Confident	83.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115.8	-175.9	-176.5	0	0	0	0	108.5	G225 C226 V227 L239 E247 G248 V250 V273 V275 L287	G225-V237 VanDerWaalsContact CA-CG1 3.41Å; C226-V237 CarbonylContact O-C 3.59Å; C226-V237 WeakPolarHBondContact O-CA 3.35Å; V227-V237 HydrophobicContact CG2-CG2 4.35Å; V237-L239 PolarHBondContact O-N 3.04Å; V237-E247 WeakPolarHBondContact O-CA 3.33Å; V237-G248 PolarHBondContact N-O 3.39Å; V237-G248 PolarHBondContact O-N 2.93Å; V237-V250 HydrophobicContact CG2-CG2 3.92Å; V237-V273 HydrophobicContact CG1-CG2 3.79Å; V237-V273 HydrophobicContact CG2-CG2 4.08Å; V237-V275 HydrophobicContact CG1-CG1 4.47Å; V237-V275 HydrophobicContact CG1-CG2 4.09Å; V237-L287 HydrophobicContact CB-CD1 3.85Å; V237-L287 HydrophobicContact CG1-CD1 4.43Å; V237-L287 HydrophobicContact CG2-CD1 4.46Å
238	E	90.5	Very high	83.5	Confident	46 Å²	46	61.6 Å²	61.6	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.4	171	-179.8	172.2	-147.6	0	0	108.7	G225 C226 T228 R245 E247	G225-E238 WeakPolarHBondContact CA-O 3.44Å; C226-E238 PolarHBondContact N-O 3.06Å; C226-E238 PolarHBondContact O-N 3.02Å; T228-E238 HydrophobicContact CG2-CB 3.59Å; E238-R245 WeakPolarHBondContact OE1-CD 3.35Å; E238-R245 VanDerWaalsContact OE1-CG 3.31Å; E238-R245 WeakPolarHBondContact OE1-CG 3.43Å; E238-R245 IonicContact OE1-CZ 3.54Å; E238-R245 IonicContact OE1-NE 3.97Å; E238-R245 IonicContact OE1-NH1 2.69Å; E238-R245 PolarHBondContact OE1-NH1 2.76Å; E238-R245 IonicContact OE2-NH1 3.48Å; E238-R245 PolarHBondContact OE2-NH1 3.4Å; E238-E247 HydrophobicContact CB-CG 4.31Å
239	L	87.9	Confident	83.6	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.9	-178.2	-60.2	-176.5	0	0	0	111.2	P217 V237 L242 F246 V275 V277 V285 L287	P217-L239 HydrophobicContact CB-CD1 3.85Å; P217-L239 HydrophobicContact CG-CD1 4.32Å; V237-L239 PolarHBondContact O-N 3.04Å; L239-L242 HydrophobicContact CB-CD1 3.8Å; L239-L242 HydrophobicContact CD1-CD1 4Å; L239-F246 HydrophobicContact CD1-CB 4.47Å; L239-F246 PolarHBondContact N-O 3.28Å; L239-V275 HydrophobicContact CD2-CG2 3.57Å; L239-V277 HydrophobicContact CD1-CG2 4.44Å; L239-V285 HydrophobicContact CD1-CG1 4.36Å; L239-L287 HydrophobicContact CD1-CD2 4.33Å; L239-L287 HydrophobicContact CD2-CD1 3.88Å; L239-L287 HydrophobicContact CD2-CD2 4.1Å
240	I	83.1	Confident	83.8	Confident	92 Å²	92	60.8 Å²	60.8	47%	0.472	28%	0.284	S	S	.	.	S	Bend	trans	-97.6	135.6	-179.5	-54.3	176.2	0	0	0	108.6	D224	D224-I240 HydrophobicContact CB-CB 4.23Å; D224-I240 WeakPolarHBondContact O-CB 3.37Å; D224-I240 PolarHBondContact O-N 2.67Å
241	G	74.4	Confident	83.7	Confident	41 Å²	41	63 Å²	63	42%	0.423	29%	0.293	S	S	.	.	S	Bend	trans	104.7	12.7	176.5	0	0	0	0	0	116.8	L213	L213-G241 WeakPolarHBondContact CD2-O 3.48Å
242	L	74.2	Confident	83.6	Confident	21 Å²	21	58 Å²	58	11%	0.11	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-105.9	155.2	177.8	-62.7	171.8	0	0	0	111.6	D214 P217 Y223 L239 K244 F246	D214-L242 HydrophobicContact CB-CD2 3.71Å; D214-L242 WeakPolarHBondContact O-CA 3.2Å; P217-L242 HydrophobicContact CB-CD1 4.01Å; P217-L242 HydrophobicContact CB-CD2 4.5Å; P217-L242 HydrophobicContact CG-CD1 4.45Å; Y223-L242 HydrophobicContact CD1-CD2 4.28Å; Y223-L242 HydrophobicContact CD1-CG 4.42Å; Y223-L242 HydrophobicContact CE1-CD2 3.46Å; Y223-L242 VanDerWaalsContact CE1-CD2 3.46Å; Y223-L242 HydrophobicContact CE1-CG 4.06Å; L239-L242 HydrophobicContact CB-CD1 3.8Å; L239-L242 HydrophobicContact CD1-CD1 4Å; L242-K244 WeakPolarHBondContact CB-O 3.29Å; L242-K244 PolarHBondContact O-N 3.17Å; L242-F246 HydrophobicContact CD1-CB 3.97Å; L242-F246 HydrophobicContact CD1-CD2 3.67Å; L242-F246 HydrophobicContact CD1-CG 4.2Å
243	L	67.8	Low	83.7	Confident	90 Å²	90	52.9 Å²	52.9	47%	0.471	26%	0.261	S	S	.	.	S	Bend	trans	-66	-23	173.7	-79.3	173.8	0	0	0	113.3	L213 D214	L213-L243 HydrophobicContact CB-CD2 4.23Å; L213-L243 HydrophobicContact CB-CG 3.96Å; L213-L243 HydrophobicContact CD1-CD2 3.8Å; L213-L243 HydrophobicContact CD1-CG 4.47Å; L213-L243 VanDerWaalsContact O-CD1 3.25Å; L213-L243 WeakPolarHBondContact O-CD1 3.41Å; L213-L243 VanDerWaalsContact O-CG 3.29Å; L213-L243 WeakPolarHBondContact O-CG 3.44Å; D214-L243 PolarHBondContact O-N 3.26Å
244	K	72.3	Confident	83.8	Confident	99 Å²	99	50.7 Å²	50.7	43%	0.43	25%	0.252	S	S	.	.	S	Bend	trans	-122.2	146.9	175.8	-52.9	172.2	-165.8	146.4	0	107.9	S215 E216 L242 F246	S215-K244 WeakPolarHBondContact O-CD 3.43Å; S215-K244 WeakPolarHBondContact O-CE 3.49Å; S215-K244 PolarHBondContact O-NZ 3.27Å; S215-K244 VanDerWaalsContact O-NZ 3.17Å; E216-K244 IonicContact OE1-NZ 3.7Å; E216-K244 PolarHBondContact OE1-NZ 3.49Å; L242-K244 WeakPolarHBondContact CB-O 3.29Å; L242-K244 PolarHBondContact O-N 3.17Å; K244-F246 HydrophobicContact CB-CD2 4.14Å; K244-F246 HydrophobicContact CB-CE2 3.76Å; K244-F246 HydrophobicContact CD-CE2 3.99Å; K244-F246 HydrophobicContact CD-CZ 4.14Å; K244-F246 HydrophobicContact CG-CE2 4.4Å; K244-F246 WeakPolarHBondContact O-CD2 3.39Å; K244-F246 PolarHBondContact O-N 3.23Å
245	R	78.4	Confident	83.7	Confident	205 Å²	205	50.9 Å²	50.9	77%	0.774	25%	0.253	S	S	*	.			trans	-64.4	127.8	166.5	-66.3	173.8	178.5	-113.5	8.7	109.1	E238	E238-R245 WeakPolarHBondContact OE1-CD 3.35Å; E238-R245 VanDerWaalsContact OE1-CG 3.31Å; E238-R245 WeakPolarHBondContact OE1-CG 3.43Å; E238-R245 IonicContact OE1-CZ 3.54Å; E238-R245 IonicContact OE1-NE 3.97Å; E238-R245 IonicContact OE1-NH1 2.69Å; E238-R245 PolarHBondContact OE1-NH1 2.76Å; E238-R245 IonicContact OE2-NH1 3.48Å; E238-R245 PolarHBondContact OE2-NH1 3.4Å
246	F	81.9	Confident	83.4	Confident	20 Å²	20	56.8 Å²	56.8	9%	0.088	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.2	169.6	-79.8	-88.2	0	0	0	109	S215 E216 P217 L239 L242 K244 F280 V285	S215-F246 WeakPolarHBondContact O-CE2 3.48Å; E216-F246 HydrophobicContact CB-CE2 4.5Å; E216-F246 HydrophobicContact CB-CZ 4.23Å; E216-F246 HydrophobicContact CG-CE2 4.5Å; E216-F246 HydrophobicContact CG-CZ 4.07Å; P217-F246 HydrophobicContact CG-CD1 4.38Å; P217-F246 HydrophobicContact CG-CG 4.27Å; L239-F246 HydrophobicContact CD1-CB 4.47Å; L239-F246 PolarHBondContact N-O 3.28Å; L242-F246 HydrophobicContact CD1-CB 3.97Å; L242-F246 HydrophobicContact CD1-CD2 3.67Å; L242-F246 HydrophobicContact CD1-CG 4.2Å; K244-F246 HydrophobicContact CB-CD2 4.14Å; K244-F246 HydrophobicContact CB-CE2 3.76Å; K244-F246 HydrophobicContact CD-CE2 3.99Å; K244-F246 HydrophobicContact CD-CZ 4.14Å; K244-F246 HydrophobicContact CG-CE2 4.4Å; K244-F246 WeakPolarHBondContact O-CD2 3.39Å; K244-F246 PolarHBondContact O-N 3.23Å; F246-F280 HydrophobicContact CD1-CE2 4.07Å; F246-F280 AromaticContact CE1-CE2 3.62Å; F246-F280 HydrophobicContact CE1-CE2 3.62Å; F246-F280 AromaticContact CE1-CZ 3.81Å; F246-F280 HydrophobicContact CE1-CZ 3.81Å; F246-F280 HydrophobicContact CZ-CE2 4.31Å; F246-F280 HydrophobicContact CZ-CZ 4.13Å; F246-V285 HydrophobicContact CB-CG2 4.19Å; F246-V285 HydrophobicContact CD1-CG2 4.16Å
247	E	85.7	Confident	82.8	Confident	98 Å²	98	60.9 Å²	60.9	46%	0.458	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.1	164.9	-65.2	-170.6	118.5	0	0	109.3	T228 V237 E238	T228-E247 VanDerWaalsContact CB-OE1 3.24Å; T228-E247 WeakPolarHBondContact CB-OE1 3.26Å; T228-E247 WeakPolarHBondContact CG2-OE1 3.34Å; T228-E247 PolarHBondContact OG1-OE1 3.04Å; V237-E247 WeakPolarHBondContact O-CA 3.33Å; E238-E247 HydrophobicContact CB-CG 4.31Å
248	G	86.9	Confident	82.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	155	170.8	0	0	0	0	0	112.4	F236 V237 V285	F236-G248 WeakPolarHBondContact CA-O 3.17Å; V237-G248 PolarHBondContact N-O 3.39Å; V237-G248 PolarHBondContact O-N 2.93Å; G248-V285 CarbonylContact C-O 3.56Å; G248-V285 VanDerWaalsContact CA-O 3.29Å; G248-V285 WeakPolarHBondContact CA-O 3.44Å
249	L	90	Very high	81.3	Confident	52 Å²	52	73.2 Å²	73.2	27%	0.272	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120	173.6	-178.8	70.7	0	0	0	109.5	F233 C235 F236 V285 L287	F233-L249 HydrophobicContact CD2-CD1 4.13Å; F233-L249 HydrophobicContact CD2-CD2 4.09Å; F233-L249 HydrophobicContact CE2-CD1 3.8Å; F233-L249 HydrophobicContact CE2-CD2 3.85Å; C235-L249 WeakPolarHBondContact O-CA 3.18Å; F236-L249 HydrophobicContact CD2-CD1 4.2Å; F236-L249 HydrophobicContact CE1-CD1 4.38Å; F236-L249 HydrophobicContact CE2-CD1 3.84Å; F236-L249 HydrophobicContact CZ-CD1 3.94Å; L249-V285 PolarHBondContact N-O 2.9Å; L249-L287 PolarHBondContact O-N 2.91Å
250	V	90.3	Very high	80.6	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.1	160.1	-173	0	0	0	0	107.1	G234 C235 V237 Q254 L255 V275 L287 M289	G234-V250 CarbonylContact C-O 3.53Å; G234-V250 WeakPolarHBondContact CA-O 3.48Å; C235-V250 PolarHBondContact N-O 2.87Å; C235-V250 PolarHBondContact O-N 2.96Å; V237-V250 HydrophobicContact CG2-CG2 3.92Å; V250-Q254 HydrophobicContact CG1-CB 4.05Å; V250-Q254 WeakPolarHBondContact CG1-O 3.14Å; V250-L255 HydrophobicContact CB-CD2 4.26Å; V250-L255 HydrophobicContact CG1-CD2 3.71Å; V250-L255 HydrophobicContact CG1-CG 4.06Å; V250-V275 HydrophobicContact CG2-CG1 4.06Å; V250-L287 HydrophobicContact CG2-CB 3.61Å; V250-L287 HydrophobicContact CG2-CD1 4.31Å; V250-M289 HydrophobicContact CG1-CB 4.26Å
251	H	86.1	Confident	80.2	Confident	90 Å²	90	75.9 Å²	75.9	42%	0.417	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	151.9	175.5	-174.9	-111.4	0	0	0	110.8	F233 S253 Q254	F233-H251 PolarHBondContact O-CD2 3.09Å; H251-S253 PolarHBondContact ND1-OG 3.12Å; H251-S253 PolarHBondContact O-N 2.64Å; H251-Q254 WeakPolarHBondContact O-CA 3.31Å; H251-Q254 WeakPolarHBondContact O-CB 3Å; H251-Q254 PolarHBondContact O-N 2.67Å
252	I	85.6	Confident	80.5	Confident	42 Å²	42	76.1 Å²	76.1	22%	0.215	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-54.2	-33.3	-176.9	-167	167.5	0	0	0	113.8	F233 Q254 L255 V260 V263	F233-I252 PolarHBondContact O-N 3.23Å; I252-Q254 PolarHBondContact O-N 3.23Å; I252-L255 HydrophobicContact CG1-CD1 4.23Å; I252-V260 HydrophobicContact CD1-CG1 4.3Å; I252-V260 HydrophobicContact CG1-CB 4.08Å; I252-V260 HydrophobicContact CG1-CG1 4.13Å; I252-V263 HydrophobicContact CB-CG2 4.43Å; I252-V263 HydrophobicContact CD1-CG2 4.05Å; I252-V263 HydrophobicContact CG1-CG2 4.15Å
253	S	83.9	Confident	80.8	Confident	70 Å²	70	75.2 Å²	75.2	49%	0.49	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-75.6	-1.3	175.5	66.1	0	0	0	0	115.7	H251	H251-S253 PolarHBondContact ND1-OG 3.12Å; H251-S253 PolarHBondContact O-N 2.64Å
254	Q	86.1	Confident	81.5	Confident	46 Å²	46	74.2 Å²	74.2	22%	0.215	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-119.5	9.9	-178.9	-66.5	-68.3	-6.8	0	0	112.6	V250 H251 I252 L278 S288 M289 K290	V250-Q254 HydrophobicContact CG1-CB 4.05Å; V250-Q254 WeakPolarHBondContact CG1-O 3.14Å; H251-Q254 WeakPolarHBondContact O-CA 3.31Å; H251-Q254 WeakPolarHBondContact O-CB 3Å; H251-Q254 PolarHBondContact O-N 2.67Å; I252-Q254 PolarHBondContact O-N 3.23Å; Q254-L278 HydrophobicContact CG-CD1 4.07Å; Q254-S288 PolarHBondContact OE1-OG 2.62Å; Q254-M289 PolarHBondContact O-N 3.34Å; Q254-K290 WeakPolarHBondContact O-CB 3.41Å; Q254-K290 PolarHBondContact O-N 2.81Å
255	L	85.1	Confident	81.9	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.021	38%	0.379	C	S	.	.	S	Bend	trans	-83	-37.5	175.8	-72.3	168.6	0	0	0	113.4	V250 I252 V260 V263 V266 V267 M289	V250-L255 HydrophobicContact CB-CD2 4.26Å; V250-L255 HydrophobicContact CG1-CD2 3.71Å; V250-L255 HydrophobicContact CG1-CG 4.06Å; I252-L255 HydrophobicContact CG1-CD1 4.23Å; L255-V260 HydrophobicContact CB-CG2 4.47Å; L255-V260 HydrophobicContact CD1-CG1 4.47Å; L255-V263 HydrophobicContact CD1-CB 4.32Å; L255-V263 HydrophobicContact CD1-CG1 3.92Å; L255-V263 HydrophobicContact CD1-CG2 3.99Å; L255-V266 HydrophobicContact CB-CG1 4.48Å; L255-V267 HydrophobicContact CD2-CG1 4.37Å; L255-M289 HydrophobicContact CB-CE 4.33Å; L255-M289 HydrophobicContact CD2-CE 3.88Å; L255-M289 WeakPolarHBondContact O-CE 3.47Å
256	K	81.5	Confident	82	Confident	123 Å²	123	66.7 Å²	66.7	54%	0.535	35%	0.353	S	S	.	.			trans	-156.4	163.2	-173.4	-158.4	166.9	-175.2	173.3	0	110.9	A258 V260	K256-A258 PolarHBondContact O-N 3.45Å; K256-V260 HydrophobicContact CB-CG2 4.12Å
257	N	76.7	Confident	82	Confident	132 Å²	132	65.9 Å²	65.9	71%	0.706	35%	0.35	S	S	*	.	S	Bend	trans	-69.2	-19.7	170.6	-79.5	-27.7	0	0	0	113.7	K290	N257-K290 WeakPolarHBondContact OD1-CE 3.43Å; N257-K290 VanDerWaalsContact OD1-CG 3.31Å; N257-K290 WeakPolarHBondContact OD1-CG 3.42Å
258	A	77.3	Confident	82	Confident	62 Å²	62	70.7 Å²	70.7	51%	0.512	36%	0.364	S	S	.	.	S	Bend	trans	-93.3	159.4	178.8	0	0	0	0	0	112.7	K256 V260	K256-A258 PolarHBondContact O-N 3.45Å; A258-V260 PolarHBondContact O-N 3.16Å; A258-V260 VanDerWaalsContact O-N 3.12Å
259	R	72.6	Confident	82	Confident	244 Å²	244	79.2 Å²	79.2	92%	0.921	40%	0.396	S	S	*	.			trans	-71	102	176.5	-173.3	176.8	-174.9	168.4	0.9	110.6
260	V	73.2	Confident	81.8	Confident	28 Å²	28	87.4 Å²	87.4	17%	0.17	42%	0.423	C	S	.	.			trans	-80.7	129.3	177.8	-180	0	0	0	0	110.3	I252 L255 K256 A258 S262 V266	I252-V260 HydrophobicContact CD1-CG1 4.3Å; I252-V260 HydrophobicContact CG1-CB 4.08Å; I252-V260 HydrophobicContact CG1-CG1 4.13Å; L255-V260 HydrophobicContact CB-CG2 4.47Å; L255-V260 HydrophobicContact CD1-CG1 4.47Å; K256-V260 HydrophobicContact CB-CG2 4.12Å; A258-V260 PolarHBondContact O-N 3.16Å; A258-V260 VanDerWaalsContact O-N 3.12Å; V260-S262 WeakPolarHBondContact CG1-O 3.31Å; V260-V266 HydrophobicContact CB-CG2 4.5Å; V260-V266 HydrophobicContact CG1-CG2 3.75Å; V260-V266 HydrophobicContact CG2-CG2 3.86Å
261	T	75	Confident	81.7	Confident	127 Å²	127	90.8 Å²	90.8	78%	0.779	44%	0.439	S	S	*	.	S	Bend	trans	-90.9	-37.8	176.4	37.9	0	0	0	0	113.2
262	S	80.2	Confident	81.8	Confident	46 Å²	46	95 Å²	95	32%	0.322	46%	0.456	S	S	.	.			trans	-136.5	142	171.8	-177.4	0	0	0	0	111.6	V260 S264 D265	V260-S262 WeakPolarHBondContact CG1-O 3.31Å; S262-S264 WeakPolarHBondContact CB-OG 3.4Å; S262-S264 PolarHBondContact O-N 3.28Å; S262-S264 PolarHBondContact OG-N 2.7Å; S262-S264 PolarHBondContact OG-OG 3.47Å; S262-D265 WeakPolarHBondContact CB-OD2 3.3Å; S262-D265 PolarHBondContact O-N 2.84Å
263	V	80.8	Confident	82	Confident	2 Å²	2	93.1 Å²	93.1	1%	0.012	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-67.4	-24.4	179.2	-176.3	0	0	0	0	111.7	I230 R231 C235 I252 L255 D265 V266 V267	I230-V263 HydrophobicContact CG2-CB 4.03Å; I230-V263 HydrophobicContact CG2-CG1 3.83Å; R231-V263 WeakPolarHBondContact O-CG2 3.45Å; C235-V263 HydrophobicContact CB-CG1 4.05Å; I252-V263 HydrophobicContact CB-CG2 4.43Å; I252-V263 HydrophobicContact CD1-CG2 4.05Å; I252-V263 HydrophobicContact CG1-CG2 4.15Å; L255-V263 HydrophobicContact CD1-CB 4.32Å; L255-V263 HydrophobicContact CD1-CG1 3.92Å; L255-V263 HydrophobicContact CD1-CG2 3.99Å; V263-D265 PolarHBondContact O-N 3.15Å; V263-D265 VanDerWaalsContact O-N 3.17Å; V263-V266 PolarHBondContact O-N 2.66Å; V263-V267 HydrophobicContact CG1-CG2 3.64Å; V263-V267 WeakPolarHBondContact O-CG2 3.38Å; V263-V267 PolarHBondContact O-N 2.9Å
264	S	81.6	Confident	82.3	Confident	69 Å²	69	92 Å²	92	48%	0.483	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-56.5	-27.4	174.2	47.6	0	0	0	0	114.1	S262 V266	S262-S264 WeakPolarHBondContact CB-OG 3.4Å; S262-S264 PolarHBondContact O-N 3.28Å; S262-S264 PolarHBondContact OG-N 2.7Å; S262-S264 PolarHBondContact OG-OG 3.47Å; S264-V266 VanDerWaalsContact C-N 3.29Å; S264-V266 PolarHBondContact O-N 3.09Å
265	D	81.2	Confident	82.5	Confident	108 Å²	108	89.9 Å²	89.9	58%	0.578	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-87.2	-9.3	-167	-45.2	-16.6	0	0	0	111.2	S262 V263	S262-D265 WeakPolarHBondContact CB-OD2 3.3Å; S262-D265 PolarHBondContact O-N 2.84Å; V263-D265 PolarHBondContact O-N 3.15Å; V263-D265 VanDerWaalsContact O-N 3.17Å
266	V	79.3	Confident	82.7	Confident	38 Å²	38	90 Å²	90	23%	0.23	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-33.9	-175.1	-166.6	0	0	0	0	112.3	L255 V260 V263 S264 M289	L255-V266 HydrophobicContact CB-CG1 4.48Å; V260-V266 HydrophobicContact CB-CG2 4.5Å; V260-V266 HydrophobicContact CG1-CG2 3.75Å; V260-V266 HydrophobicContact CG2-CG2 3.86Å; V263-V266 PolarHBondContact O-N 2.66Å; S264-V266 VanDerWaalsContact C-N 3.29Å; S264-V266 PolarHBondContact O-N 3.09Å; V266-M289 HydrophobicContact CG1-CE 3.77Å
267	V	83	Confident	83	Confident	2 Å²	2	84.1 Å²	84.1	1%	0.012	40%	0.398	C	S	.	.			trans	-134.6	142.4	-177.4	-66.9	0	0	0	0	113.4	V227 I230 C235 L255 V263 V273 M289	V227-V267 HydrophobicContact CG2-CB 4.37Å; I230-V267 HydrophobicContact CD1-CG2 4.34Å; I230-V267 WeakPolarHBondContact CD1-O 3.28Å; I230-V267 HydrophobicContact CG1-CG2 4.36Å; C235-V267 HydrophobicContact CB-CG2 3.87Å; L255-V267 HydrophobicContact CD2-CG1 4.37Å; V263-V267 HydrophobicContact CG1-CG2 3.64Å; V263-V267 WeakPolarHBondContact O-CG2 3.38Å; V263-V267 PolarHBondContact O-N 2.9Å; V267-V273 HydrophobicContact CG1-CG1 4.48Å; V267-M289 HydrophobicContact CG1-CE 3.87Å; V267-M289 HydrophobicContact CG1-SD 4.03Å
268	R	86.4	Confident	83.4	Confident	199 Å²	199	80 Å²	80	75%	0.751	38%	0.376	S	S	*	.			trans	-107	151.1	173.1	-61.4	-177.5	178.4	-172.4	-0.3	110.7	V227 Q271	V227-R268 WeakPolarHBondContact CB-O 3.34Å; R268-Q271 HydrophobicContact CB-CB 4.43Å; R268-Q271 WeakPolarHBondContact O-CB 3.46Å; R268-Q271 PolarHBondContact O-N 3.22Å; R268-Q271 VanDerWaalsContact O-N 3.1Å
269	R	86.3	Confident	83.6	Confident	180 Å²	180	81.9 Å²	81.9	68%	0.679	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	139.4	171.9	-65.3	-173.7	-176.2	-174.6	0.4	109.7	I230 Q271	I230-R269 HydrophobicContact CD1-CG 3.97Å; I230-R269 HydrophobicContact CG1-CG 4.25Å; R269-Q271 PolarHBondContact O-N 3.45Å
270	R	85.6	Confident	83.9	Confident	223 Å²	223	72.1 Å²	72.1	84%	0.842	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	12.2	-171.9	-54.9	179.4	175.4	172.7	-2.1	115.7	V227	V227-R270 PolarHBondContact O-N 3.31Å
271	Q	88	Confident	84	Confident	71 Å²	71	77.8 Å²	77.8	33%	0.332	36%	0.356	S	S	.	.			trans	-66.9	137.2	167.1	-175.3	170.9	-19	0	0	109.7	V227 R268 R269 V273	V227-Q271 HydrophobicContact CG2-CB 4.31Å; V227-Q271 PolarHBondContact N-O 3.32Å; R268-Q271 HydrophobicContact CB-CB 4.43Å; R268-Q271 WeakPolarHBondContact O-CB 3.46Å; R268-Q271 PolarHBondContact O-N 3.22Å; R268-Q271 VanDerWaalsContact O-N 3.1Å; R269-Q271 PolarHBondContact O-N 3.45Å; Q271-V273 HydrophobicContact CG-CG1 4.14Å
272	K	89.4	Confident	83.8	Confident	178 Å²	178	74.1 Å²	74.1	77%	0.774	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.2	166.6	-65.9	-174.6	178.9	-175.4	0	108.9	G225	G225-K272 WeakPolarHBondContact O-CA 3.42Å
273	V	89.8	Confident	83.4	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.024	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.5	-180	-67.1	0	0	0	0	109.3	G225 V227 V237 V267 Q271 V275 M289	G225-V273 WeakPolarHBondContact CA-O 3.49Å; G225-V273 PolarHBondContact N-O 2.87Å; G225-V273 PolarHBondContact O-N 3.32Å; V227-V273 HydrophobicContact CG2-CG1 4.04Å; V227-V273 HydrophobicContact CG2-CG2 3.97Å; V237-V273 HydrophobicContact CG1-CG2 3.79Å; V237-V273 HydrophobicContact CG2-CG2 4.08Å; V267-V273 HydrophobicContact CG1-CG1 4.48Å; Q271-V273 HydrophobicContact CG-CG1 4.14Å; V273-V275 HydrophobicContact CG2-CG1 4.07Å; V273-M289 HydrophobicContact CB-SD 4Å; V273-M289 HydrophobicContact CG1-SD 3.72Å
274	K	89.9	Confident	83.3	Confident	47 Å²	47	86 Å²	86	20%	0.204	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.2	173.6	-61.6	176.8	-174.2	158.4	0	108.5	I222 V292 Q294 D295 T296 G297	I222-K274 HydrophobicContact CG2-CB 4.45Å; K274-V292 HydrophobicContact CB-CG1 3.67Å; K274-Q294 WeakPolarHBondContact CE-O 3.16Å; K274-Q294 PolarHBondContact NZ-O 2.92Å; K274-Q294 PolarHBondContact O-NE2 3.2Å; K274-Q294 PolarHBondContact O-OE1 3.16Å; K274-D295 PolarHBondContact NZ-O 2.98Å; K274-T296 PolarHBondContact NZ-O 3.18Å; K274-G297 VanDerWaalsContact NZ-N 3.16Å
275	V	90	Very high	83.5	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.8	-169.4	-76.3	0	0	0	0	112.6	I222 Y223 V237 L239 V250 V273 L287 S288 M289	I222-V275 WeakPolarHBondContact CA-O 3.41Å; Y223-V275 PolarHBondContact N-O 3.4Å; Y223-V275 WeakPolarHBondContact O-CG2 3.41Å; Y223-V275 PolarHBondContact O-N 3.26Å; V237-V275 HydrophobicContact CG1-CG1 4.47Å; V237-V275 HydrophobicContact CG1-CG2 4.09Å; L239-V275 HydrophobicContact CD2-CG2 3.57Å; V250-V275 HydrophobicContact CG2-CG1 4.06Å; V273-V275 HydrophobicContact CG2-CG1 4.07Å; V275-L287 HydrophobicContact CB-CB 4.34Å; V275-L287 HydrophobicContact CB-CD1 4.31Å; V275-L287 HydrophobicContact CB-CD2 4.46Å; V275-L287 HydrophobicContact CG2-CD1 4.1Å; V275-L287 HydrophobicContact CG2-CD2 4.44Å; V275-S288 WeakPolarHBondContact CA-O 3.32Å; V275-M289 HydrophobicContact CG1-CB 4.46Å
276	K	89.2	Confident	83.8	Confident	6 Å²	6	79.7 Å²	79.7	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.3	174.7	-167.7	175.8	179.9	-174.2	0	109.8	I222 L278 L287 S288 E291 V292 D299 N301	I222-K276 HydrophobicContact CG1-CB 4.08Å; I222-K276 HydrophobicContact CG1-CG 4.17Å; K276-L278 PolarHBondContact O-N 3.01Å; K276-L287 CarbonylContact O-C 3.6Å; K276-L287 WeakPolarHBondContact O-CA 3.47Å; K276-S288 PolarHBondContact N-O 2.61Å; K276-S288 PolarHBondContact O-N 3.39Å; K276-E291 HydrophobicContact CD-CB 3.84Å; K276-E291 WeakPolarHBondContact CD-OE2 3.49Å; K276-E291 WeakPolarHBondContact CE-OE2 3.35Å; K276-E291 IonicContact NZ-OE2 3.65Å; K276-E291 PolarHBondContact NZ-OE2 3.03Å; K276-V292 HydrophobicContact CB-CG2 3.59Å; K276-D299 WeakPolarHBondContact CE-OD2 3.45Å; K276-D299 IonicContact NZ-OD1 3.36Å; K276-D299 PolarHBondContact NZ-OD1 3.17Å; K276-D299 IonicContact NZ-OD2 2.92Å; K276-D299 PolarHBondContact NZ-OD2 2.89Å; K276-N301 PolarHBondContact NZ-O 3.13Å
277	V	87.1	Confident	84.3	Confident	0 Å²	0	78 Å²	78	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	108.8	176	178.1	0	0	0	0	108.9	P217 L218 E219 G220 K221 Y223 L239 V285 L287	P217-V277 HydrophobicContact CB-CG2 4.08Å; L218-V277 VanDerWaalsContact O-CB 3.29Å; L218-V277 WeakPolarHBondContact O-CB 3.31Å; E219-V277 HydrophobicContact CG-CG1 4.37Å; G220-V277 PolarHBondContact N-O 3.31Å; K221-V277 PolarHBondContact O-N 3.08Å; Y223-V277 HydrophobicContact CD2-CG2 3.71Å; Y223-V277 HydrophobicContact CE2-CG2 3.8Å; L239-V277 HydrophobicContact CD1-CG2 4.44Å; V277-V285 HydrophobicContact CG1-CG1 3.76Å; V277-V285 HydrophobicContact CG2-CG1 4.18Å; V277-L287 HydrophobicContact CB-CD2 4.43Å; V277-L287 HydrophobicContact CG2-CD2 3.82Å
278	L	85.3	Confident	84.6	Confident	46 Å²	46	78 Å²	78	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-44.6	175.3	-68.3	-179.3	0	0	0	111.7	Q254 K276 S286	Q254-L278 HydrophobicContact CG-CD1 4.07Å; K276-L278 PolarHBondContact O-N 3.01Å; L278-S286 PolarHBondContact N-O 2.95Å
279	K	81.2	Confident	84.6	Confident	101 Å²	101	69.2 Å²	69.2	44%	0.439	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144.9	-178.1	-62.3	-168.5	175.1	-172.9	0	112.2	E219 Y281 S286	E219-K279 WeakPolarHBondContact OE1-CA 3.41Å; K279-Y281 HydrophobicContact CB-CD2 4.2Å; K279-Y281 HydrophobicContact CB-CE2 3.78Å; K279-Y281 HydrophobicContact CD-CE2 3.74Å; K279-Y281 WeakPolarHBondContact CD-OH 3.21Å; K279-Y281 HydrophobicContact CG-CE2 4.39Å; K279-S286 PolarHBondContact N-O 3.08Å; K279-S286 PolarHBondContact O-N 3.49Å
280	F	79.9	Confident	84.6	Confident	40 Å²	40	64.3 Å²	64.3	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	106.1	176	177.1	-120.5	0	0	0	112.5	E216 P217 E219 F246 G282 V285	E216-F280 HydrophobicContact CB-CE1 3.71Å; E216-F280 HydrophobicContact CB-CZ 3.89Å; E216-F280 HydrophobicContact CG-CE1 4.34Å; E216-F280 HydrophobicContact CG-CZ 4.35Å; P217-F280 HydrophobicContact CG-CD2 3.56Å; P217-F280 HydrophobicContact CG-CE2 3.82Å; P217-F280 HydrophobicContact CG-CG 4.12Å; E219-F280 HydrophobicContact CG-CB 4.23Å; E219-F280 PolarHBondContact OE1-N 3.27Å; F246-F280 HydrophobicContact CD1-CE2 4.07Å; F246-F280 AromaticContact CE1-CE2 3.62Å; F246-F280 HydrophobicContact CE1-CE2 3.62Å; F246-F280 AromaticContact CE1-CZ 3.81Å; F246-F280 HydrophobicContact CE1-CZ 3.81Å; F246-F280 HydrophobicContact CZ-CE2 4.31Å; F246-F280 HydrophobicContact CZ-CZ 4.13Å; F280-G282 WeakPolarHBondContact CE2-O 3.48Å; F280-G282 VanDerWaalsContact CZ-O 3.25Å; F280-G282 WeakPolarHBondContact CZ-O 3.24Å; F280-V285 HydrophobicContact CD2-CG1 4.48Å; F280-V285 HydrophobicContact CD2-CG2 4.11Å; F280-V285 HydrophobicContact CE2-CG2 4.38Å
281	Y	75.2	Confident	84.4	Confident	147 Å²	147	55 Å²	55	58%	0.576	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	57.7	178.1	-67.7	-69.8	0	0	0	112	K279 S283 R284	K279-Y281 HydrophobicContact CB-CD2 4.2Å; K279-Y281 HydrophobicContact CB-CE2 3.78Å; K279-Y281 HydrophobicContact CD-CE2 3.74Å; K279-Y281 WeakPolarHBondContact CD-OH 3.21Å; K279-Y281 HydrophobicContact CG-CE2 4.39Å; Y281-S283 VanDerWaalsContact C-N 3.27Å; Y281-S283 PolarHBondContact O-N 2.81Å; Y281-R284 WeakPolarHBondContact CA-O 3.49Å; Y281-R284 PolarHBondContact N-O 3.32Å; Y281-R284 PolarHBondContact O-N 3.17Å; Y281-R284 VanDerWaalsContact O-N 3.11Å
282	G	69.4	Low	84.1	Confident	49 Å²	49	51.8 Å²	51.8	51%	0.505	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	-62.6	167.8	0	0	0	0	0	116	F280	F280-G282 WeakPolarHBondContact CE2-O 3.48Å; F280-G282 VanDerWaalsContact CZ-O 3.25Å; F280-G282 WeakPolarHBondContact CZ-O 3.24Å
283	S	73.2	Confident	83.7	Confident	102 Å²	102	45.5 Å²	45.5	71%	0.713	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-8	170.6	61.4	0	0	0	0	113.3	Y281	Y281-S283 VanDerWaalsContact C-N 3.27Å; Y281-S283 PolarHBondContact O-N 2.81Å
284	R	79.3	Confident	83.5	Confident	195 Å²	195	48 Å²	48	74%	0.736	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	107	178.1	-65.1	179.8	178.8	-179.2	-0.6	110	Y281	Y281-R284 WeakPolarHBondContact CA-O 3.49Å; Y281-R284 PolarHBondContact N-O 3.32Å; Y281-R284 PolarHBondContact O-N 3.17Å; Y281-R284 VanDerWaalsContact O-N 3.11Å
285	V	85.1	Confident	83	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130	169.1	-154	0	0	0	0	108.7	P217 L239 F246 G248 L249 V277 F280 L287	P217-V285 HydrophobicContact CB-CG1 4.31Å; P217-V285 HydrophobicContact CG-CB 4.49Å; P217-V285 HydrophobicContact CG-CG1 3.87Å; P217-V285 HydrophobicContact CG-CG2 3.76Å; L239-V285 HydrophobicContact CD1-CG1 4.36Å; F246-V285 HydrophobicContact CB-CG2 4.19Å; F246-V285 HydrophobicContact CD1-CG2 4.16Å; G248-V285 CarbonylContact C-O 3.56Å; G248-V285 VanDerWaalsContact CA-O 3.29Å; G248-V285 WeakPolarHBondContact CA-O 3.44Å; L249-V285 PolarHBondContact N-O 2.9Å; V277-V285 HydrophobicContact CG1-CG1 3.76Å; V277-V285 HydrophobicContact CG2-CG1 4.18Å; F280-V285 HydrophobicContact CD2-CG1 4.48Å; F280-V285 HydrophobicContact CD2-CG2 4.11Å; F280-V285 HydrophobicContact CE2-CG2 4.38Å; V285-L287 HydrophobicContact CB-CD2 4.46Å; V285-L287 HydrophobicContact CG1-CD2 3.8Å; V285-L287 HydrophobicContact CG1-CG 4.42Å
286	S	87.6	Confident	82.2	Confident	44 Å²	44	56.5 Å²	56.5	31%	0.308	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.5	170.3	-60.9	0	0	0	0	109	L278 K279	L278-S286 PolarHBondContact N-O 2.95Å; K279-S286 PolarHBondContact N-O 3.08Å; K279-S286 PolarHBondContact O-N 3.49Å
287	L	89.7	Confident	81.6	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.3	-172.2	-62.5	177.8	0	0	0	111.6	V237 L239 L249 V250 V275 K276 V277 V285	V237-L287 HydrophobicContact CB-CD1 3.85Å; V237-L287 HydrophobicContact CG1-CD1 4.43Å; V237-L287 HydrophobicContact CG2-CD1 4.46Å; L239-L287 HydrophobicContact CD1-CD2 4.33Å; L239-L287 HydrophobicContact CD2-CD1 3.88Å; L239-L287 HydrophobicContact CD2-CD2 4.1Å; L249-L287 PolarHBondContact O-N 2.91Å; V250-L287 HydrophobicContact CG2-CB 3.61Å; V250-L287 HydrophobicContact CG2-CD1 4.31Å; V275-L287 HydrophobicContact CB-CB 4.34Å; V275-L287 HydrophobicContact CB-CD1 4.31Å; V275-L287 HydrophobicContact CB-CD2 4.46Å; V275-L287 HydrophobicContact CG2-CD1 4.1Å; V275-L287 HydrophobicContact CG2-CD2 4.44Å; K276-L287 CarbonylContact O-C 3.6Å; K276-L287 WeakPolarHBondContact O-CA 3.47Å; V277-L287 HydrophobicContact CB-CD2 4.43Å; V277-L287 HydrophobicContact CG2-CD2 3.82Å; V285-L287 HydrophobicContact CB-CD2 4.46Å; V285-L287 HydrophobicContact CG1-CD2 3.8Å; V285-L287 HydrophobicContact CG1-CG 4.42Å
288	S	89.5	Confident	81	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133	166.7	-166.8	0	0	0	0	111.7	Q254 V275 K276 K290 E291	Q254-S288 PolarHBondContact OE1-OG 2.62Å; V275-S288 WeakPolarHBondContact CA-O 3.32Å; K276-S288 PolarHBondContact N-O 2.61Å; K276-S288 PolarHBondContact O-N 3.39Å; S288-K290 PolarHBondContact OG-N 3.45Å; S288-E291 PolarHBondContact OG-N 2.7Å
289	M	86.7	Confident	80.6	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.079	33%	0.33	C	S	.	.	S	Bend	trans	-101	-15	165.9	-161.1	175.2	73.7	0	0	110.7	V250 Q254 L255 V266 V267 V273 V275 V292 Q294	V250-M289 HydrophobicContact CG1-CB 4.26Å; Q254-M289 PolarHBondContact O-N 3.34Å; L255-M289 HydrophobicContact CB-CE 4.33Å; L255-M289 HydrophobicContact CD2-CE 3.88Å; L255-M289 WeakPolarHBondContact O-CE 3.47Å; V266-M289 HydrophobicContact CG1-CE 3.77Å; V267-M289 HydrophobicContact CG1-CE 3.87Å; V267-M289 HydrophobicContact CG1-SD 4.03Å; V273-M289 HydrophobicContact CB-SD 4Å; V273-M289 HydrophobicContact CG1-SD 3.72Å; V275-M289 HydrophobicContact CG1-CB 4.46Å; M289-V292 VanDerWaalsContact O-O 3.12Å; M289-Q294 HydrophobicContact CG-CG 4.3Å
290	K	84.9	Confident	80.2	Confident	77 Å²	77	63.9 Å²	63.9	34%	0.335	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-32.4	177.9	178.2	-172.2	175.8	-171.6	0	113.1	Q254 N257 S288	Q254-K290 WeakPolarHBondContact O-CB 3.41Å; Q254-K290 PolarHBondContact O-N 2.81Å; N257-K290 WeakPolarHBondContact OD1-CE 3.43Å; N257-K290 VanDerWaalsContact OD1-CG 3.31Å; N257-K290 WeakPolarHBondContact OD1-CG 3.42Å; S288-K290 PolarHBondContact OG-N 3.45Å
291	E	81.3	Confident	79.5	Confident	28 Å²	28	64.6 Å²	64.6	13%	0.131	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.9	179.9	-63.2	-165.9	175.8	0	0	113.8	K276 S288 L300 N301	K276-E291 HydrophobicContact CD-CB 3.84Å; K276-E291 WeakPolarHBondContact CD-OE2 3.49Å; K276-E291 WeakPolarHBondContact CE-OE2 3.35Å; K276-E291 IonicContact NZ-OE2 3.65Å; K276-E291 PolarHBondContact NZ-OE2 3.03Å; S288-E291 PolarHBondContact OG-N 2.7Å; E291-L300 PolarHBondContact O-N 3.27Å; E291-N301 HydrophobicContact CG-CB 4.3Å; E291-N301 PolarHBondContact OE1-ND2 3.43Å
292	V	81.8	Confident	78.8	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.018	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-131.9	124.3	-179.3	-172	0	0	0	0	109.7	I222 K274 K276 M289 Q294 E298	I222-V292 HydrophobicContact CD1-CG1 4.02Å; I222-V292 HydrophobicContact CD1-CG2 3.84Å; I222-V292 HydrophobicContact CG1-CG2 3.89Å; I222-V292 HydrophobicContact CG2-CG1 4.13Å; I222-V292 HydrophobicContact CG2-CG2 4.37Å; K274-V292 HydrophobicContact CB-CG1 3.67Å; K276-V292 HydrophobicContact CB-CG2 3.59Å; M289-V292 VanDerWaalsContact O-O 3.12Å; V292-Q294 PolarHBondContact O-N 3.41Å; V292-Q294 PolarHBondContact O-NE2 2.82Å; V292-E298 WeakPolarHBondContact CA-O 3.49Å
293	D	82.2	Confident	77.9	Confident	46 Å²	46	59.9 Å²	59.9	25%	0.246	32%	0.322	C	S	.	.			trans	-64.4	127.9	168	176.6	23	0	0	0	109.3	D295 T296 G297 E298 L300	D293-D295 PolarHBondContact OD1-N 3.29Å; D293-T296 WeakPolarHBondContact CB-OG1 3.38Å; D293-T296 VanDerWaalsContact CG-OG1 3.32Å; D293-T296 VanDerWaalsContact OD2-CB 3.29Å; D293-T296 WeakPolarHBondContact OD2-CB 3.37Å; D293-T296 VanDerWaalsContact OD2-CG2 3.25Å; D293-T296 WeakPolarHBondContact OD2-CG2 3.47Å; D293-T296 PolarHBondContact OD2-N 2.73Å; D293-T296 PolarHBondContact OD2-OG1 3.1Å; D293-G297 WeakPolarHBondContact O-CA 3.12Å; D293-G297 PolarHBondContact O-N 2.85Å; D293-E298 PolarHBondContact N-O 3.01Å; D293-L300 HydrophobicContact CB-CD1 4.28Å; D293-L300 HydrophobicContact CB-CD2 4.2Å; D293-L300 HydrophobicContact CB-CG 4.21Å
294	Q	84.4	Confident	76.8	Confident	56 Å²	56	64.2 Å²	64.2	26%	0.262	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-32.4	-175.3	-61.4	-57	-69.6	0	0	111.5	K274 M289 V292	K274-Q294 WeakPolarHBondContact CE-O 3.16Å; K274-Q294 PolarHBondContact NZ-O 2.92Å; K274-Q294 PolarHBondContact O-NE2 3.2Å; K274-Q294 PolarHBondContact O-OE1 3.16Å; M289-Q294 HydrophobicContact CG-CG 4.3Å; V292-Q294 PolarHBondContact O-N 3.41Å; V292-Q294 PolarHBondContact O-NE2 2.82Å
295	D	79.1	Confident	75.2	Confident	147 Å²	147	59.1 Å²	59.1	79%	0.786	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-60	-177.5	-67.5	-35.6	0	0	0	110.7	K274 D293	K274-D295 PolarHBondContact NZ-O 2.98Å; D293-D295 PolarHBondContact OD1-N 3.29Å
296	T	74.5	Confident	73.3	Confident	78 Å²	78	61.2 Å²	61.2	48%	0.479	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-46.7	176.9	62.6	0	0	0	0	112.2	K274 D293 E298	K274-T296 PolarHBondContact NZ-O 3.18Å; D293-T296 WeakPolarHBondContact CB-OG1 3.38Å; D293-T296 VanDerWaalsContact CG-OG1 3.32Å; D293-T296 VanDerWaalsContact OD2-CB 3.29Å; D293-T296 WeakPolarHBondContact OD2-CB 3.37Å; D293-T296 VanDerWaalsContact OD2-CG2 3.25Å; D293-T296 WeakPolarHBondContact OD2-CG2 3.47Å; D293-T296 PolarHBondContact OD2-N 2.73Å; D293-T296 PolarHBondContact OD2-OG1 3.1Å; T296-E298 WeakPolarHBondContact OG1-CB 3.42Å; T296-E298 WeakPolarHBondContact OG1-CG 3.35Å; T296-E298 PolarHBondContact OG1-N 3.2Å; T296-E298 VanDerWaalsContact OG1-N 3.08Å
297	G	75.7	Confident	70.9	Confident	22 Å²	22	65.6 Å²	65.6	23%	0.227	34%	0.342	C	S	.	.			trans	93.2	7	-166.5	0	0	0	0	0	114.1	K274 D293	K274-G297 VanDerWaalsContact NZ-N 3.16Å; D293-G297 WeakPolarHBondContact O-CA 3.12Å; D293-G297 PolarHBondContact O-N 2.85Å
298	E	75.4	Confident	68.4	Low	134 Å²	134	73.6 Å²	73.6	63%	0.626	38%	0.38	S	S	*	.			trans	-67.8	144.3	175.4	-68.6	174.6	-171.6	0	0	111.4	V292 D293 T296 L300	V292-E298 WeakPolarHBondContact CA-O 3.49Å; D293-E298 PolarHBondContact N-O 3.01Å; T296-E298 WeakPolarHBondContact OG1-CB 3.42Å; T296-E298 WeakPolarHBondContact OG1-CG 3.35Å; T296-E298 PolarHBondContact OG1-N 3.2Å; T296-E298 VanDerWaalsContact OG1-N 3.08Å; E298-L300 PolarHBondContact O-N 2.99Å
299	D	77.2	Confident	65.9	Low	47 Å²	47	81.5 Å²	81.5	25%	0.251	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-73.8	114	172	-170.5	-18.4	0	0	0	108.7	I222 K276 N301 P302	I222-D299 HydrophobicContact CD1-CB 4.09Å; K276-D299 WeakPolarHBondContact CE-OD2 3.45Å; K276-D299 IonicContact NZ-OD1 3.36Å; K276-D299 PolarHBondContact NZ-OD1 3.17Å; K276-D299 IonicContact NZ-OD2 2.92Å; K276-D299 PolarHBondContact NZ-OD2 2.89Å; D299-N301 PolarHBondContact O-N 2.79Å; D299-N301 WeakPolarHBondContact OD1-CA 3.49Å; D299-N301 PolarHBondContact OD1-N 2.96Å; D299-P302 HydrophobicContact CB-CB 4.32Å; D299-P302 WeakPolarHBondContact O-CD 3.04Å
300	L	72.5	Confident	63.8	Low	106 Å²	106	84.9 Å²	84.9	56%	0.555	44%	0.435	S	S	*	.	S	Bend	trans	-75.3	-4.6	179.1	-67	172.2	0	0	0	112.5	E291 D293 E298	E291-L300 PolarHBondContact O-N 3.27Å; D293-L300 HydrophobicContact CB-CD1 4.28Å; D293-L300 HydrophobicContact CB-CD2 4.2Å; D293-L300 HydrophobicContact CB-CG 4.21Å; E298-L300 PolarHBondContact O-N 2.99Å
301	N	65.7	Low	61.5	Low	54 Å²	54	87.4 Å²	87.4	29%	0.289	45%	0.452	S	S	.	.			trans	-150	65.2	179.4	-168.7	19.7	0	0	0	112.3	K276 E291 D299 G303	K276-N301 PolarHBondContact NZ-O 3.13Å; E291-N301 HydrophobicContact CG-CB 4.3Å; E291-N301 PolarHBondContact OE1-ND2 3.43Å; D299-N301 PolarHBondContact O-N 2.79Å; D299-N301 WeakPolarHBondContact OD1-CA 3.49Å; D299-N301 PolarHBondContact OD1-N 2.96Å; N301-G303 VanDerWaalsContact C-N 3.34Å; N301-G303 PolarHBondContact O-N 2.81Å
302	P	59.8	Low	59.4	Low	82 Å²	82	92.6 Å²	92.6	53%	0.532	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.5	-171	29.1	-34.7	0	0	0	113.9	D299 R304	D299-P302 HydrophobicContact CB-CB 4.32Å; D299-P302 WeakPolarHBondContact O-CD 3.04Å; P302-R304 PolarHBondContact O-N 2.82Å
303	G	50	Low	57.1	Low	15 Å²	15	98.2 Å²	98.2	16%	0.155	51%	0.51	C	S	.	.	H	α-helix	trans	-65.4	-35.8	-172	0	0	0	0	0	114.8	N301 I305 A306 Q307	N301-G303 VanDerWaalsContact C-N 3.34Å; N301-G303 PolarHBondContact O-N 2.81Å; G303-I305 PolarHBondContact O-N 2.8Å; G303-A306 PolarHBondContact O-N 2.67Å; G303-Q307 VanDerWaalsContact CA-OE1 3.3Å; G303-Q307 WeakPolarHBondContact O-CB 3.4Å; G303-Q307 PolarHBondContact O-N 2.62Å; G303-Q307 VanDerWaalsContact O-N 3.11Å
304	R	49.7	Very low	55	Low	193 Å²	193	100.7 Å²	100.7	73%	0.728	52%	0.523	S	S	*	.	H	α-helix	trans	-68.6	-4.7	-162.4	-97.1	-166.7	177.2	-172	-5.8	118.1	P302	P302-R304 PolarHBondContact O-N 2.82Å
305	I	47.3	Very low	53	Low	88 Å²	88	101.4 Å²	101.4	45%	0.451	54%	0.539	S	S	.	.	H	α-helix	trans	-133.9	-26.4	174.8	-58.4	-179.3	0	0	0	111.2	G303	G303-I305 PolarHBondContact O-N 2.8Å
306	A	44.9	Very low	51.1	Low	47 Å²	47	99.2 Å²	99.2	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-83.7	-35.6	-178.7	0	0	0	0	0	114.1	G303 E308 K309 V310	G303-A306 PolarHBondContact O-N 2.67Å; A306-E308 VanDerWaalsContact C-N 3.33Å; A306-E308 PolarHBondContact O-N 2.55Å; A306-K309 PolarHBondContact O-N 3Å; A306-V310 HydrophobicContact CB-CG2 4.37Å; A306-V310 WeakPolarHBondContact O-CB 3.01Å; A306-V310 PolarHBondContact O-N 3.09Å
307	Q	36.6	Very low	49.4	Very low	135 Å²	135	103.2 Å²	103.2	63%	0.631	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.3	-172.4	-72.5	176.8	-47.1	0	0	114.2	G303	G303-Q307 VanDerWaalsContact CA-OE1 3.3Å; G303-Q307 WeakPolarHBondContact O-CB 3.4Å; G303-Q307 PolarHBondContact O-N 2.62Å; G303-Q307 VanDerWaalsContact O-N 3.11Å
308	E	37.6	Very low	47.9	Very low	172 Å²	172	110.2 Å²	110.2	80%	0.804	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-0.2	178.3	-64.8	-176.3	147	0	0	113.8	A306	A306-E308 VanDerWaalsContact C-N 3.33Å; A306-E308 PolarHBondContact O-N 2.55Å
309	K	37.1	Very low	46.5	Very low	166 Å²	166	105.9 Å²	105.9	72%	0.722	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	-3.7	-173.8	-75.5	-166.1	175.3	177.2	0	117.7	A306	A306-K309 PolarHBondContact O-N 3Å
310	V	41.1	Very low	45	Very low	86 Å²	86	108 Å²	108	52%	0.521	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.5	-14.7	179.7	-172.2	0	0	0	0	112.3	A306 D312	A306-V310 HydrophobicContact CB-CG2 4.37Å; A306-V310 WeakPolarHBondContact O-CB 3.01Å; A306-V310 PolarHBondContact O-N 3.09Å; V310-D312 VanDerWaalsContact C-N 3.27Å; V310-D312 PolarHBondContact O-N 3.45Å
311	L	37	Very low	43.9	Very low	131 Å²	131	105.9 Å²	105.9	69%	0.686	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-12	171.4	-72.4	175.7	0	0	0	114
312	D	36.9	Very low	43	Very low	137 Å²	137	105.9 Å²	105.9	73%	0.733	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-21.6	-176	-107.1	-12.3	0	0	0	114.5	V310	V310-D312 VanDerWaalsContact C-N 3.27Å; V310-D312 PolarHBondContact O-N 3.45Å
313	D	34.2	Very low	42.5	Very low	121 Å²	121	105.2 Å²	105.2	65%	0.647	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-29.8	-178	-98.1	-38.1	0	0	0	113.2	A315 H316	D313-A315 PolarHBondContact O-N 2.75Å; D313-H316 PolarHBondContact O-N 3.05Å; D313-H316 VanDerWaalsContact O-N 3.1Å
314	D	38.4	Very low	42.3	Very low	97 Å²	97	107.4 Å²	107.4	52%	0.519	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-65.1	-20.5	-178.5	-99.7	-11	0	0	0	113.3	H316 F317 R318	D314-H316 PolarHBondContact O-N 3.31Å; D314-H316 VanDerWaalsContact O-N 3.16Å; D314-F317 PolarHBondContact O-N 3.36Å; D314-F317 VanDerWaalsContact O-N 3.1Å; D314-R318 PolarHBondContact O-N 2.76Å
315	A	41.8	Very low	42.3	Very low	72 Å²	72	103.5 Å²	103.5	60%	0.595	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-57.7	-25	172.9	0	0	0	0	0	112.9	D313	D313-A315 PolarHBondContact O-N 2.75Å
316	H	39.9	Very low	42.5	Very low	101 Å²	101	100.6 Å²	100.6	47%	0.468	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-94.2	1.1	179.1	-75.5	-54.7	0	0	0	114.7	D313 D314 K334	D313-H316 PolarHBondContact O-N 3.05Å; D313-H316 VanDerWaalsContact O-N 3.1Å; D314-H316 PolarHBondContact O-N 3.31Å; D314-H316 VanDerWaalsContact O-N 3.16Å; H316-K334 PolarHBondContact NE2-NZ 3.02Å
317	F	38.6	Very low	42.4	Very low	162 Å²	162	100.4 Å²	100.4	71%	0.711	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-8.4	176.8	-84.2	-82.1	0	0	0	115.8	D314 N319	D314-F317 PolarHBondContact O-N 3.36Å; D314-F317 VanDerWaalsContact O-N 3.1Å; F317-N319 VanDerWaalsContact C-N 3.32Å; F317-N319 PolarHBondContact O-N 2.82Å
318	R	44.8	Very low	43	Very low	168 Å²	168	100.7 Å²	100.7	63%	0.634	53%	0.532	S	S	*	.	S	Bend	trans	-66.1	-26.8	176.8	-78	-174.8	172.6	-154.9	0.2	115.1	D314 D1044	D314-R318 PolarHBondContact O-N 2.76Å; R318-D1044 IonicContact NH1-OD1 3.87Å; R318-D1044 PolarHBondContact NH1-OD1 3.07Å; R318-D1044 IonicContact NH1-OD2 2.68Å; R318-D1044 PolarHBondContact NH1-OD2 3.46Å
319	N	45.3	Very low	43.6	Very low	43 Å²	43	93.6 Å²	93.6	23%	0.23	50%	0.502	C	S	.	.			trans	-123	91.9	167.4	-94.9	-46.1	0	0	0	109	F317 D321 R931	F317-N319 VanDerWaalsContact C-N 3.32Å; F317-N319 PolarHBondContact O-N 2.82Å; N319-D321 PolarHBondContact O-N 2.97Å; N319-D321 VanDerWaalsContact O-N 3.1Å; N319-R931 PolarHBondContact OD1-NH1 3.47Å; N319-R931 PolarHBondContact OD1-NH2 3.03Å
320	P	46.2	Very low	44.3	Very low	91 Å²	91	87.7 Å²	87.7	59%	0.591	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	2.4	-179.7	32	-37.3	0	0	0	113.9
321	D	48.5	Very low	44.5	Very low	63 Å²	63	89 Å²	89	34%	0.337	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	23.7	-170.5	-64.3	-44.5	0	0	0	112.7	N319 P323 R927	N319-D321 PolarHBondContact O-N 2.97Å; N319-D321 VanDerWaalsContact O-N 3.1Å; D321-P323 WeakPolarHBondContact O-CD 3.47Å; D321-R927 VanDerWaalsContact OD1-CD 3.3Å; D321-R927 WeakPolarHBondContact OD1-CD 2.48Å; D321-R927 IonicContact OD1-CZ 3.47Å; D321-R927 VanDerWaalsContact OD1-CZ 3.32Å; D321-R927 IonicContact OD1-NE 3.77Å; D321-R927 IonicContact OD1-NH1 3.9Å; D321-R927 PolarHBondContact OD1-NH1 2.83Å; D321-R927 WeakPolarHBondContact OD2-CD 3.47Å; D321-R927 IonicContact OD2-CZ 3.85Å; D321-R927 IonicContact OD2-NE 2.78Å; D321-R927 IonicContact OD2-NH1 3.14Å; D321-R927 PolarHBondContact OD2-NH1 3.22Å
322	L	46.5	Very low	45	Very low	54 Å²	54	87.2 Å²	87.2	28%	0.283	47%	0.47	S	S	.	.			trans	-64.5	121.6	176.6	-172.9	64.8	0	0	0	110	G324 L326 I330 H950	L322-G324 PolarHBondContact O-N 2.94Å; L322-L326 HydrophobicContact CD1-CB 4Å; L322-L326 HydrophobicContact CG-CB 4.47Å; L322-I330 HydrophobicContact CD1-CD1 4.25Å; L322-H950 VanDerWaalsContact CD1-ND1 3.27Å; L322-H950 WeakPolarHBondContact CD1-ND1 3.34Å
323	P	50.6	Low	45.5	Very low	67 Å²	67	82.4 Å²	82.4	44%	0.435	44%	0.443	S	S	.	.			trans	-58.2	131.7	175.2	-25.1	35.9	0	0	0	110.1	D321 I325 L326 S327	D321-P323 WeakPolarHBondContact O-CD 3.47Å; P323-I325 PolarHBondContact O-N 2.88Å; P323-L326 HydrophobicContact CB-CD1 4.37Å; P323-L326 HydrophobicContact CG-CD1 4.08Å; P323-L326 PolarHBondContact O-N 3Å; P323-S327 PolarHBondContact O-N 2.93Å; P323-S327 VanDerWaalsContact O-N 3.1Å
324	G	44.5	Very low	46.1	Very low	61 Å²	61	81.9 Å²	81.9	63%	0.629	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.2	-171.1	0	0	0	0	0	115.5	L322	L322-G324 PolarHBondContact O-N 2.94Å
325	I	50.6	Low	46.2	Very low	111 Å²	111	83.5 Å²	83.5	57%	0.569	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-52.3	172.1	-57.8	172.4	0	0	0	110.3	P323 S327 K328 A329 P1130	P323-I325 PolarHBondContact O-N 2.88Å; I325-S327 PolarHBondContact O-N 3.14Å; I325-K328 WeakPolarHBondContact O-CB 3.47Å; I325-K328 PolarHBondContact O-N 3.19Å; I325-A329 PolarHBondContact O-N 3.48Å; I325-P1130 HydrophobicContact CD1-CG 4.16Å
326	L	50.6	Low	46.5	Very low	28 Å²	28	85.6 Å²	85.6	15%	0.147	44%	0.441	C	S	.	.	H	α-helix	trans	-60.3	-31	174.7	-85.4	157.8	0	0	0	112.4	L322 P323 K328 A329 I330 F1128	L322-L326 HydrophobicContact CD1-CB 4Å; L322-L326 HydrophobicContact CG-CB 4.47Å; P323-L326 HydrophobicContact CB-CD1 4.37Å; P323-L326 HydrophobicContact CG-CD1 4.08Å; P323-L326 PolarHBondContact O-N 3Å; L326-K328 PolarHBondContact O-N 3.38Å; L326-A329 PolarHBondContact O-N 3.48Å; L326-I330 WeakPolarHBondContact O-CB 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.31Å; L326-I330 WeakPolarHBondContact O-CG1 3.17Å; L326-I330 PolarHBondContact O-N 3.01Å; L326-F1128 HydrophobicContact CD2-CD1 4.44Å; L326-F1128 HydrophobicContact CD2-CE1 4.02Å
327	S	44.4	Very low	46.7	Very low	43 Å²	43	84.8 Å²	84.8	30%	0.301	44%	0.44	S	S	.	.	H	α-helix	trans	-64.5	-18.1	173.6	-169.3	0	0	0	0	114.2	P323 I325 Q331	P323-S327 PolarHBondContact O-N 2.93Å; P323-S327 VanDerWaalsContact O-N 3.1Å; I325-S327 PolarHBondContact O-N 3.14Å; S327-Q331 VanDerWaalsContact O-CD 3.32Å; S327-Q331 VanDerWaalsContact O-CG 3.27Å; S327-Q331 WeakPolarHBondContact O-CG 3.34Å; S327-Q331 PolarHBondContact O-OE1 2.71Å
328	K	49.1	Very low	46.7	Very low	141 Å²	141	83.7 Å²	83.7	61%	0.613	44%	0.442	S	S	*	.	H	α-helix	trans	-87	-53.2	171.3	-73.7	-173.4	169.4	-170	0	111.3	I325 L326 I330 Q331 D332	I325-K328 WeakPolarHBondContact O-CB 3.47Å; I325-K328 PolarHBondContact O-N 3.19Å; L326-K328 PolarHBondContact O-N 3.38Å; K328-I330 PolarHBondContact O-N 2.94Å; K328-I330 VanDerWaalsContact O-N 3.08Å; K328-Q331 CarbonylContact O-C 3.57Å; K328-Q331 WeakPolarHBondContact O-CA 3.39Å; K328-Q331 WeakPolarHBondContact O-CB 3.5Å; K328-Q331 PolarHBondContact O-N 3.44Å; K328-D332 VanDerWaalsContact C-OD2 3.27Å; K328-D332 VanDerWaalsContact O-CG 3.28Å; K328-D332 PolarHBondContact O-N 3.27Å
329	A	48.9	Very low	46.7	Very low	22 Å²	22	79 Å²	79	18%	0.182	44%	0.439	C	S	.	.	H	α-helix	trans	-52.3	-38.2	178.7	0	0	0	0	0	113	I325 L326 D332 E333	I325-A329 PolarHBondContact O-N 3.48Å; L326-A329 PolarHBondContact O-N 3.48Å; A329-D332 PolarHBondContact O-N 3.07Å; A329-E333 PolarHBondContact O-N 3.26Å
330	I	51.6	Low	46.5	Very low	43 Å²	43	81.8 Å²	81.8	22%	0.221	45%	0.452	C	S	.	.	H	α-helix	trans	-76.9	-18.3	177	-63.4	168	0	0	0	113	L322 L326 K328 K334	L322-I330 HydrophobicContact CD1-CD1 4.25Å; L326-I330 WeakPolarHBondContact O-CB 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.31Å; L326-I330 WeakPolarHBondContact O-CG1 3.17Å; L326-I330 PolarHBondContact O-N 3.01Å; K328-I330 PolarHBondContact O-N 2.94Å; K328-I330 VanDerWaalsContact O-N 3.08Å; I330-K334 WeakPolarHBondContact O-CG 3.3Å
331	Q	45.4	Very low	46	Very low	112 Å²	112	84.6 Å²	84.6	52%	0.523	46%	0.462	S	S	.	.	H	α-helix	trans	-82.7	-43.1	168.3	-75.7	177	-12.4	0	0	111	S327 K328 K334 D335	S327-Q331 VanDerWaalsContact O-CD 3.32Å; S327-Q331 VanDerWaalsContact O-CG 3.27Å; S327-Q331 WeakPolarHBondContact O-CG 3.34Å; S327-Q331 PolarHBondContact O-OE1 2.71Å; K328-Q331 CarbonylContact O-C 3.57Å; K328-Q331 WeakPolarHBondContact O-CA 3.39Å; K328-Q331 WeakPolarHBondContact O-CB 3.5Å; K328-Q331 PolarHBondContact O-N 3.44Å; Q331-K334 WeakPolarHBondContact O-CB 3.49Å; Q331-K334 PolarHBondContact O-N 3.45Å; Q331-K334 VanDerWaalsContact O-N 3.16Å; Q331-D335 PolarHBondContact O-N 3.26Å
332	D	48.4	Very low	45.5	Very low	94 Å²	94	93 Å²	93	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-45.4	178.9	-56.7	-43.6	0	0	0	110.6	K328 A329 K334 D335 E336	K328-D332 VanDerWaalsContact C-OD2 3.27Å; K328-D332 VanDerWaalsContact O-CG 3.28Å; K328-D332 PolarHBondContact O-N 3.27Å; A329-D332 PolarHBondContact O-N 3.07Å; D332-K334 VanDerWaalsContact C-N 3.26Å; D332-K334 PolarHBondContact O-N 2.83Å; D332-D335 PolarHBondContact O-N 3.18Å; D332-D335 VanDerWaalsContact O-N 3.14Å; D332-E336 PolarHBondContact O-N 2.91Å
333	E	48	Very low	45.2	Very low	36 Å²	36	94.8 Å²	94.8	17%	0.168	50%	0.502	C	S	.	.	H	α-helix	trans	-58.7	-31.2	173.1	-85.4	-163.2	-173	0	0	113.3	A329 D335 E336 D337 K1054 K1057	A329-E333 PolarHBondContact O-N 3.26Å; E333-D335 VanDerWaalsContact C-N 3.35Å; E333-E336 PolarHBondContact O-N 3.09Å; E333-D337 WeakPolarHBondContact O-CB 3.48Å; E333-D337 PolarHBondContact O-N 3.39Å; E333-K1054 VanDerWaalsContact OE2-CE 3.32Å; E333-K1054 WeakPolarHBondContact OE2-CE 3.33Å; E333-K1054 IonicContact OE2-NZ 2.79Å; E333-K1054 PolarHBondContact OE2-NZ 3.48Å; E333-K1057 IonicContact OE1-NZ 3.79Å; E333-K1057 PolarHBondContact OE1-NZ 3.42Å
334	K	45.3	Very low	44.7	Very low	110 Å²	110	98.3 Å²	98.3	48%	0.478	51%	0.511	S	S	.	.	H	α-helix	trans	-71	-29.3	179.1	-83.2	-175.8	177.5	-169.8	0	112.9	H316 I330 Q331 D332 N338	H316-K334 PolarHBondContact NE2-NZ 3.02Å; I330-K334 WeakPolarHBondContact O-CG 3.3Å; Q331-K334 WeakPolarHBondContact O-CB 3.49Å; Q331-K334 PolarHBondContact O-N 3.45Å; Q331-K334 VanDerWaalsContact O-N 3.16Å; D332-K334 VanDerWaalsContact C-N 3.26Å; D332-K334 PolarHBondContact O-N 2.83Å; K334-N338 PolarHBondContact O-ND2 3.32Å
335	D	41.9	Very low	44.6	Very low	132 Å²	132	105 Å²	105	71%	0.706	52%	0.518	S	S	*	.	H	α-helix	trans	-83	-31.6	174	-76.8	-21.8	0	0	0	111	Q331 D332 E333	Q331-D335 PolarHBondContact O-N 3.26Å; D332-D335 PolarHBondContact O-N 3.18Å; D332-D335 VanDerWaalsContact O-N 3.14Å; E333-D335 VanDerWaalsContact C-N 3.35Å
336	E	46.7	Very low	44.5	Very low	116 Å²	116	102.6 Å²	102.6	54%	0.542	51%	0.512	S	S	.	.	H	α-helix	trans	-73.7	-40.4	175.5	-70.8	-172.8	167.8	0	0	114.6	D332 E333 N338 A339 M340	D332-E336 PolarHBondContact O-N 2.91Å; E333-E336 PolarHBondContact O-N 3.09Å; E336-N338 PolarHBondContact O-N 3.08Å; E336-A339 WeakPolarHBondContact O-CA 3.48Å; E336-A339 PolarHBondContact O-N 2.92Å; E336-M340 PolarHBondContact O-N 3.21Å
337	D	44.5	Very low	44.6	Very low	83 Å²	83	110 Å²	110	44%	0.444	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.8	177.7	-93.5	-26.6	0	0	0	112	E333 N341 K1054	E333-D337 WeakPolarHBondContact O-CB 3.48Å; E333-D337 PolarHBondContact O-N 3.39Å; D337-N341 PolarHBondContact O-ND2 2.93Å; D337-K1054 IonicContact OD2-NZ 3.86Å
338	N	39.4	Very low	45.1	Very low	140 Å²	140	119 Å²	119	75%	0.749	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-18	174	-78.9	-76.4	0	0	0	114.3	K334 E336	K334-N338 PolarHBondContact O-ND2 3.32Å; E336-N338 PolarHBondContact O-N 3.08Å
339	A	44.1	Very low	45.8	Very low	70 Å²	70	114.4 Å²	114.4	58%	0.579	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-37.3	177.3	0	0	0	0	0	112.6	E336 N341	E336-A339 WeakPolarHBondContact O-CA 3.48Å; E336-A339 PolarHBondContact O-N 2.92Å; A339-N341 PolarHBondContact O-N 3.44Å; A339-N341 VanDerWaalsContact O-N 3.1Å
340	M	41.8	Very low	47	Very low	100 Å²	100	116.5 Å²	116.5	49%	0.493	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-62.1	-21	-170.6	-156.8	77.4	80.9	0	0	114.5	E336 R342 T343	E336-M340 PolarHBondContact O-N 3.21Å; M340-R342 PolarHBondContact O-N 3.29Å; M340-T343 PolarHBondContact O-N 2.92Å; M340-T343 PolarHBondContact O-OG1 3.29Å; M340-T343 VanDerWaalsContact O-OG1 3.14Å
341	N	35.6	Very low	47.9	Very low	150 Å²	150	119.1 Å²	119.1	80%	0.802	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-70.4	22.8	178.8	-85.2	-70.8	0	0	0	115	D337 A339	D337-N341 PolarHBondContact O-ND2 2.93Å; A339-N341 PolarHBondContact O-N 3.44Å; A339-N341 VanDerWaalsContact O-N 3.1Å
342	R	38.2	Very low	49.5	Very low	240 Å²	240	117.2 Å²	117.2	91%	0.906	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-133.5	-11.6	176.2	-76.5	-173.5	166.9	-163.4	-7.5	115.1	M340	M340-R342 PolarHBondContact O-N 3.29Å
343	T	40.2	Very low	50.8	Low	92 Å²	92	117.1 Å²	117.1	56%	0.564	58%	0.581	S	S	*	*			trans	-87.3	109.1	176	34	0	0	0	0	110.3	M340 Y345	M340-T343 PolarHBondContact O-N 2.92Å; M340-T343 PolarHBondContact O-OG1 3.29Å; M340-T343 VanDerWaalsContact O-OG1 3.14Å; T343-Y345 PolarHBondContact O-N 2.9Å
344	K	40.4	Very low	52.2	Low	140 Å²	140	122 Å²	122	61%	0.609	60%	0.598	S	S	*	*			trans	-62.6	124.9	165.4	-69.9	165.9	180	156.2	0	107.5	S346 D375	K344-S346 PolarHBondContact O-N 2.76Å; K344-D375 IonicContact NZ-OD1 3.24Å; K344-D375 PolarHBondContact NZ-OD1 2.86Å; K344-D375 IonicContact NZ-OD2 2.69Å; K344-D375 PolarHBondContact NZ-OD2 3.38Å
345	Y	42.6	Very low	53.8	Low	201 Å²	201	124.2 Å²	124.2	79%	0.788	60%	0.604	S	S	*	*			trans	-64.1	102.4	172.8	-79.1	-91.9	0	0	0	109.6	T343	T343-Y345 PolarHBondContact O-N 2.9Å
346	S	47.4	Very low	55.7	Low	61 Å²	61	123 Å²	123	43%	0.427	59%	0.594	S	S	.	*			trans	-63.3	142.7	164.2	-178.2	0	0	0	0	109.3	K344 R348 D373	K344-S346 PolarHBondContact O-N 2.76Å; S346-R348 PolarHBondContact O-N 3.26Å; S346-D373 WeakPolarHBondContact CB-OD1 3.46Å; S346-D373 PolarHBondContact OG-OD1 3.36Å
347	K	52.1	Low	57.4	Low	184 Å²	184	118.6 Å²	118.6	80%	0.8	57%	0.574	S	S	*	*			trans	-75	118.6	173.4	-77.6	-178.5	174.4	179.8	0	108.1	L349	K347-L349 PolarHBondContact O-N 2.82Å
348	R	54.7	Low	59.1	Low	231 Å²	231	121.7 Å²	121.7	87%	0.872	58%	0.583	S	S	*	*			trans	-55.9	107	170	-72.6	-171.9	178	176.9	2.2	109.8	S346	S346-R348 PolarHBondContact O-N 3.26Å
349	L	64.5	Low	61.2	Low	46 Å²	46	119.2 Å²	119.2	24%	0.241	57%	0.567	C	S	.	*			trans	-66	136.5	177.3	-72.3	156.3	0	0	0	110.8	K347 E353 R354 L357 P372	K347-L349 PolarHBondContact O-N 2.82Å; L349-E353 HydrophobicContact CB-CB 4.43Å; L349-E353 HydrophobicContact CD2-CB 3.95Å; L349-R354 HydrophobicContact CB-CG 3.77Å; L349-L357 HydrophobicContact CD1-CD1 3.7Å; L349-L357 HydrophobicContact CD2-CD1 3.87Å; L349-L357 HydrophobicContact CG-CD1 4.42Å; L349-P372 HydrophobicContact CD1-CB 4.47Å; L349-P372 HydrophobicContact CD1-CG 4.21Å; L349-P372 HydrophobicContact CD2-CG 4.26Å
350	S	73.4	Confident	63.1	Low	65 Å²	65	119.2 Å²	119.2	46%	0.455	56%	0.556	S	S	.	*			trans	-67.7	158	173.8	-165.9	0	0	0	0	111.2	P352 E353 R354	S350-P352 VanDerWaalsContact C-CD 3.48Å; S350-P352 VanDerWaalsContact OG-CD 3.31Å; S350-P352 WeakPolarHBondContact OG-CD 3.41Å; S350-E353 WeakPolarHBondContact CB-OE2 3.42Å; S350-E353 PolarHBondContact N-OE2 3.06Å; S350-E353 PolarHBondContact O-N 3.49Å; S350-E353 VanDerWaalsContact O-N 3.09Å; S350-R354 PolarHBondContact O-N 3.2Å
351	S	71.6	Confident	65	Low	99 Å²	99	119.1 Å²	119.1	69%	0.692	56%	0.555	S	S	*	*	H	α-helix	trans	-62.9	-31.2	-177.4	58.1	0	0	0	0	115	W355	S351-W355 PolarHBondContact O-N 2.98Å
352	P	79.4	Confident	67.3	Low	71 Å²	71	115.7 Å²	115.7	46%	0.461	55%	0.548	S	S	.	.	H	α-helix	trans	-69.3	-41.3	169	-18.2	33.8	0	0	0	112.1	S350 R354 W355 E356	S350-P352 VanDerWaalsContact C-CD 3.48Å; S350-P352 VanDerWaalsContact OG-CD 3.31Å; S350-P352 WeakPolarHBondContact OG-CD 3.41Å; P352-R354 PolarHBondContact O-N 3.27Å; P352-W355 CarbonylContact O-C 3.46Å; P352-W355 WeakPolarHBondContact O-CA 3.49Å; P352-W355 WeakPolarHBondContact O-CB 3.47Å; P352-W355 PolarHBondContact O-N 3.05Å; P352-E356 WeakPolarHBondContact O-CG 3.3Å; P352-E356 PolarHBondContact O-N 3.02Å
353	E	75.9	Confident	69.6	Low	93 Å²	93	107.3 Å²	107.3	44%	0.435	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-43.3	179.9	-59.8	172.4	149.7	0	0	111.1	L349 S350 W355 E356 L357	L349-E353 HydrophobicContact CB-CB 4.43Å; L349-E353 HydrophobicContact CD2-CB 3.95Å; S350-E353 WeakPolarHBondContact CB-OE2 3.42Å; S350-E353 PolarHBondContact N-OE2 3.06Å; S350-E353 PolarHBondContact O-N 3.49Å; S350-E353 VanDerWaalsContact O-N 3.09Å; E353-W355 VanDerWaalsContact C-N 3.27Å; E353-W355 PolarHBondContact O-N 3.3Å; E353-E356 PolarHBondContact O-N 3.26Å; E353-L357 WeakPolarHBondContact O-CB 3.23Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 2.71Å
354	R	77.3	Confident	71.5	Confident	137 Å²	137	108.2 Å²	108.2	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-58	-37.3	170.3	-80.2	-175.9	159.5	-172.6	-7.7	111.8	L349 S350 P352 K358 D389	L349-R354 HydrophobicContact CB-CG 3.77Å; S350-R354 PolarHBondContact O-N 3.2Å; P352-R354 PolarHBondContact O-N 3.27Å; R354-K358 VanDerWaalsContact O-CB 3.28Å; R354-K358 WeakPolarHBondContact O-CB 3.37Å; R354-K358 PolarHBondContact O-N 3.36Å; R354-D389 IonicContact NH1-OD2 3.6Å
355	W	77.7	Confident	73.4	Confident	157 Å²	157	106 Å²	106	60%	0.595	54%	0.541	S	S	*	.	H	α-helix	trans	-73.5	-43.3	177.5	-175.1	91.7	0	0	0	112.3	S351 P352 E353 K358 Q359	S351-W355 PolarHBondContact O-N 2.98Å; P352-W355 CarbonylContact O-C 3.46Å; P352-W355 WeakPolarHBondContact O-CA 3.49Å; P352-W355 WeakPolarHBondContact O-CB 3.47Å; P352-W355 PolarHBondContact O-N 3.05Å; E353-W355 VanDerWaalsContact C-N 3.27Å; E353-W355 PolarHBondContact O-N 3.3Å; W355-K358 CarbonylContact O-C 3.55Å; W355-K358 WeakPolarHBondContact O-CB 3.48Å; W355-K358 PolarHBondContact O-N 3.25Å; W355-K358 VanDerWaalsContact O-N 3.17Å; W355-Q359 HydrophobicContact CD2-CG 3.91Å; W355-Q359 VanDerWaalsContact CE2-NE2 3.32Å; W355-Q359 HydrophobicContact CE3-CG 3.84Å; W355-Q359 HydrophobicContact CH2-CG 3.68Å; W355-Q359 HydrophobicContact CZ2-CG 3.74Å; W355-Q359 VanDerWaalsContact CZ2-NE2 3.34Å; W355-Q359 HydrophobicContact CZ3-CG 3.74Å; W355-Q359 WeakPolarHBondContact O-CG 3.36Å; W355-Q359 PolarHBondContact O-N 3.47Å
356	E	82.1	Confident	75	Confident	108 Å²	108	98.3 Å²	98.3	51%	0.505	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-45.7	177.4	-73.2	178.8	175.3	0	0	111.7	P352 E353 K358 Q359 M360	P352-E356 WeakPolarHBondContact O-CG 3.3Å; P352-E356 PolarHBondContact O-N 3.02Å; E353-E356 PolarHBondContact O-N 3.26Å; E356-K358 VanDerWaalsContact C-N 3.27Å; E356-K358 PolarHBondContact O-N 2.86Å; E356-Q359 PolarHBondContact O-N 2.94Å; E356-Q359 VanDerWaalsContact O-N 3.16Å; E356-M360 HydrophobicContact CB-CE 4.42Å; E356-M360 WeakPolarHBondContact O-CG 3.31Å; E356-M360 PolarHBondContact O-N 3.39Å
357	L	82.1	Confident	76.4	Confident	23 Å²	23	98.2 Å²	98.2	12%	0.12	51%	0.513	C	S	.	.	H	α-helix	trans	-57.6	-40.5	171.4	-79	163.8	0	0	0	111.8	L349 E353 M360 M361 I366 L371 P372	L349-L357 HydrophobicContact CD1-CD1 3.7Å; L349-L357 HydrophobicContact CD2-CD1 3.87Å; L349-L357 HydrophobicContact CG-CD1 4.42Å; E353-L357 WeakPolarHBondContact O-CB 3.23Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 2.71Å; L357-M360 HydrophobicContact CD2-CE 4.33Å; L357-M360 PolarHBondContact O-N 3.22Å; L357-M361 HydrophobicContact CB-CE 4.33Å; L357-M361 WeakPolarHBondContact O-CB 3.3Å; L357-M361 WeakPolarHBondContact O-CG 3.45Å; L357-M361 PolarHBondContact O-N 2.97Å; L357-I366 HydrophobicContact CD2-CD1 3.79Å; L357-L371 HydrophobicContact CD2-CD2 4.39Å; L357-P372 HydrophobicContact CD1-CG 4.2Å
358	K	81.5	Confident	77.4	Confident	148 Å²	148	94.6 Å²	94.6	64%	0.643	50%	0.501	S	S	*	.	H	α-helix	trans	-67.2	-35.8	176.6	-171.1	167.2	-174.2	164	0	112.8	R354 W355 E356 A362	R354-K358 VanDerWaalsContact O-CB 3.28Å; R354-K358 WeakPolarHBondContact O-CB 3.37Å; R354-K358 PolarHBondContact O-N 3.36Å; W355-K358 CarbonylContact O-C 3.55Å; W355-K358 WeakPolarHBondContact O-CB 3.48Å; W355-K358 PolarHBondContact O-N 3.25Å; W355-K358 VanDerWaalsContact O-N 3.17Å; E356-K358 VanDerWaalsContact C-N 3.27Å; E356-K358 PolarHBondContact O-N 2.86Å; K358-A362 WeakPolarHBondContact O-CB 3.4Å; K358-A362 PolarHBondContact O-N 3.32Å
359	Q	83.4	Confident	78.3	Confident	88 Å²	88	86.7 Å²	86.7	41%	0.411	49%	0.485	S	S	.	.	H	α-helix	trans	-70.4	-41.4	171.9	-64.6	-55.2	-28.5	0	0	111.9	W355 E356 M361 A362 A363	W355-Q359 HydrophobicContact CD2-CG 3.91Å; W355-Q359 VanDerWaalsContact CE2-NE2 3.32Å; W355-Q359 HydrophobicContact CE3-CG 3.84Å; W355-Q359 HydrophobicContact CH2-CG 3.68Å; W355-Q359 HydrophobicContact CZ2-CG 3.74Å; W355-Q359 VanDerWaalsContact CZ2-NE2 3.34Å; W355-Q359 HydrophobicContact CZ3-CG 3.74Å; W355-Q359 WeakPolarHBondContact O-CG 3.36Å; W355-Q359 PolarHBondContact O-N 3.47Å; E356-Q359 PolarHBondContact O-N 2.94Å; E356-Q359 VanDerWaalsContact O-N 3.16Å; Q359-M361 PolarHBondContact O-N 3.14Å; Q359-A362 PolarHBondContact O-N 3.42Å; Q359-A363 WeakPolarHBondContact O-CB 3.4Å; Q359-A363 PolarHBondContact O-N 2.88Å
360	M	84.3	Confident	78.7	Confident	70 Å²	70	90.4 Å²	90.4	35%	0.345	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-37.4	177	-72.5	-171.1	-77.7	0	0	112.1	E356 L357 S364 C365 I366	E356-M360 HydrophobicContact CB-CE 4.42Å; E356-M360 WeakPolarHBondContact O-CG 3.31Å; E356-M360 PolarHBondContact O-N 3.39Å; L357-M360 HydrophobicContact CD2-CE 4.33Å; L357-M360 PolarHBondContact O-N 3.22Å; M360-S364 PolarHBondContact O-N 2.89Å; M360-S364 VanDerWaalsContact O-N 3.09Å; M360-C365 HydrophobicContact CB-CB 4.41Å; M360-C365 PolarHBondContact O-N 3.35Å; M360-I366 HydrophobicContact CB-CB 4.27Å; M360-I366 HydrophobicContact CB-CD1 3.92Å; M360-I366 HydrophobicContact CB-CG1 4.14Å; M360-I366 HydrophobicContact CE-CD1 3.6Å; M360-I366 HydrophobicContact CG-CD1 4.41Å; M360-I366 HydrophobicContact SD-CD1 3.63Å; M360-I366 HydrophobicContact SD-CG1 4.17Å
361	M	81.6	Confident	78.5	Confident	97 Å²	97	88.6 Å²	88.6	48%	0.478	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-46	168.8	-77.2	-171.5	-102.4	0	0	112.1	L357 Q359 A363 S364 L371	L357-M361 HydrophobicContact CB-CE 4.33Å; L357-M361 WeakPolarHBondContact O-CB 3.3Å; L357-M361 WeakPolarHBondContact O-CG 3.45Å; L357-M361 PolarHBondContact O-N 2.97Å; Q359-M361 PolarHBondContact O-N 3.14Å; M361-A363 VanDerWaalsContact C-N 3.27Å; M361-A363 PolarHBondContact O-N 3.06Å; M361-S364 PolarHBondContact O-N 3.05Å; M361-L371 HydrophobicContact CE-CD2 3.82Å; M361-L371 HydrophobicContact CG-CD2 4.43Å; M361-L371 HydrophobicContact SD-CD2 4.1Å
362	A	83.8	Confident	78.3	Confident	79 Å²	79	87.1 Å²	87.1	65%	0.653	48%	0.475	S	S	*	.	H	α-helix	trans	-62.4	-32.6	177.7	0	0	0	0	0	113.2	K358 Q359 S364	K358-A362 WeakPolarHBondContact O-CB 3.4Å; K358-A362 PolarHBondContact O-N 3.32Å; Q359-A362 PolarHBondContact O-N 3.42Å; A362-S364 VanDerWaalsContact C-N 3.35Å
363	A	86	Confident	77.6	Confident	64 Å²	64	86.7 Å²	86.7	53%	0.529	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.8	175	0	0	0	0	0	113.9	Q359 M361 C365	Q359-A363 WeakPolarHBondContact O-CB 3.4Å; Q359-A363 PolarHBondContact O-N 2.88Å; M361-A363 VanDerWaalsContact C-N 3.27Å; M361-A363 PolarHBondContact O-N 3.06Å; A363-C365 HydrophobicContact CB-CB 4.47Å; A363-C365 VanDerWaalsContact CB-SG 3.55Å; A363-C365 PolarHBondContact O-N 3.42Å
364	S	80.4	Confident	77.3	Confident	110 Å²	110	85.5 Å²	85.5	77%	0.769	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	29.4	-172.9	-51.2	0	0	0	0	114.2	M360 M361 A362	M360-S364 PolarHBondContact O-N 2.89Å; M360-S364 VanDerWaalsContact O-N 3.09Å; M361-S364 PolarHBondContact O-N 3.05Å; A362-S364 VanDerWaalsContact C-N 3.35Å
365	C	79.5	Confident	76.9	Confident	94 Å²	94	80.7 Å²	80.7	64%	0.635	45%	0.446	S	S	*	.			trans	-88.8	-8.4	-178	-65.1	0	0	0	0	114.6	M360 A363	M360-C365 HydrophobicContact CB-CB 4.41Å; M360-C365 PolarHBondContact O-N 3.35Å; A363-C365 HydrophobicContact CB-CB 4.47Å; A363-C365 VanDerWaalsContact CB-SG 3.55Å; A363-C365 PolarHBondContact O-N 3.42Å
366	I	76.7	Confident	76.2	Confident	40 Å²	40	82 Å²	82	21%	0.205	46%	0.459	C	S	.	.	S	Bend	trans	-123.2	138.1	177.5	-93.7	178.5	0	0	0	109.3	L357 M360 E370 L371	L357-I366 HydrophobicContact CD2-CD1 3.79Å; M360-I366 HydrophobicContact CB-CB 4.27Å; M360-I366 HydrophobicContact CB-CD1 3.92Å; M360-I366 HydrophobicContact CB-CG1 4.14Å; M360-I366 HydrophobicContact CE-CD1 3.6Å; M360-I366 HydrophobicContact CG-CD1 4.41Å; M360-I366 HydrophobicContact SD-CD1 3.63Å; M360-I366 HydrophobicContact SD-CG1 4.17Å; I366-E370 HydrophobicContact CG2-CB 4.34Å; I366-L371 HydrophobicContact CG2-CD2 3.95Å; I366-L371 HydrophobicContact CG2-CG 4.4Å
367	S	76.5	Confident	75.5	Confident	58 Å²	58	83.8 Å²	83.8	41%	0.406	47%	0.472	S	S	.	.			trans	-85.3	158.2	171.1	75.2	0	0	0	0	111.6	A369 E370	S367-A369 PolarHBondContact O-N 3.47Å; S367-A369 VanDerWaalsContact O-N 3.1Å; S367-E370 WeakPolarHBondContact CA-OE2 3.23Å; S367-E370 WeakPolarHBondContact CB-OE2 3.46Å; S367-E370 PolarHBondContact N-OE2 3.46Å; S367-E370 PolarHBondContact O-N 2.93Å; S367-E370 VanDerWaalsContact OG-CD 3.3Å; S367-E370 PolarHBondContact OG-OE2 2.82Å
368	I	73.1	Confident	74.3	Confident	109 Å²	109	89.6 Å²	89.6	56%	0.559	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-57.1	-28.1	179.8	-74.3	167.5	0	0	0	112.7	E370 F374 I380	I368-E370 VanDerWaalsContact C-N 3.34Å; I368-F374 HydrophobicContact CG2-CD2 3.78Å; I368-F374 HydrophobicContact CG2-CE2 3.82Å; I368-F374 WeakPolarHBondContact O-CB 3.44Å; I368-F374 VanDerWaalsContact O-CD2 3.31Å; I368-F374 WeakPolarHBondContact O-CD2 3.46Å; I368-F374 WeakPolarHBondContact O-CG 3.24Å; I368-I380 HydrophobicContact CG2-CD1 3.88Å; I368-I380 HydrophobicContact CG2-CG1 3.88Å
369	A	73.7	Confident	73.6	Confident	65 Å²	65	83.7 Å²	83.7	54%	0.537	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-81.1	-9.1	-179.9	0	0	0	0	0	114.3	S367 F374	S367-A369 PolarHBondContact O-N 3.47Å; S367-A369 VanDerWaalsContact O-N 3.1Å; A369-F374 HydrophobicContact CB-CD1 4.28Å; A369-F374 HydrophobicContact CB-CE1 4.06Å; A369-F374 HydrophobicContact CB-CZ 4.35Å
370	E	71.9	Confident	72.5	Confident	124 Å²	124	83.5 Å²	83.5	58%	0.579	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-99.1	2.7	179	-67.9	160.6	128.4	0	0	112.5	I366 S367 I368	I366-E370 HydrophobicContact CG2-CB 4.34Å; S367-E370 WeakPolarHBondContact CA-OE2 3.23Å; S367-E370 WeakPolarHBondContact CB-OE2 3.46Å; S367-E370 PolarHBondContact N-OE2 3.46Å; S367-E370 PolarHBondContact O-N 2.93Å; S367-E370 VanDerWaalsContact OG-CD 3.3Å; S367-E370 PolarHBondContact OG-OE2 2.82Å; I368-E370 VanDerWaalsContact C-N 3.34Å
371	L	69.8	Low	71.3	Confident	26 Å²	26	84.8 Å²	84.8	14%	0.136	49%	0.49	C	S	.	.	S	Bend	trans	-75.2	136.6	175.2	-65.1	172.9	0	0	0	110.7	L357 M361 I366 D373 F374 I380	L357-L371 HydrophobicContact CD2-CD2 4.39Å; M361-L371 HydrophobicContact CE-CD2 3.82Å; M361-L371 HydrophobicContact CG-CD2 4.43Å; M361-L371 HydrophobicContact SD-CD2 4.1Å; I366-L371 HydrophobicContact CG2-CD2 3.95Å; I366-L371 HydrophobicContact CG2-CG 4.4Å; L371-D373 PolarHBondContact O-N 2.89Å; L371-F374 HydrophobicContact CB-CB 4.38Å; L371-F374 WeakPolarHBondContact O-CB 3.39Å; L371-F374 PolarHBondContact O-N 3.44Å; L371-F374 VanDerWaalsContact O-N 3.12Å; L371-I380 HydrophobicContact CD1-CD1 3.86Å; L371-I380 HydrophobicContact CD1-CG1 4.25Å
372	P	67.3	Low	69.8	Low	69 Å²	69	89.2 Å²	89.2	45%	0.448	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.4	179.4	-28.5	37.2	0	0	0	115.4	L349 L357	L349-P372 HydrophobicContact CD1-CB 4.47Å; L349-P372 HydrophobicContact CD1-CG 4.21Å; L349-P372 HydrophobicContact CD2-CG 4.26Å; L357-P372 HydrophobicContact CD1-CG 4.2Å
373	D	65.4	Low	67.9	Low	62 Å²	62	92.9 Å²	92.9	33%	0.332	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	15.3	-175.7	-49	-74.3	0	0	0	113	S346 L371 L381	S346-D373 WeakPolarHBondContact CB-OD1 3.46Å; S346-D373 PolarHBondContact OG-OD1 3.36Å; L371-D373 PolarHBondContact O-N 2.89Å; D373-L381 PolarHBondContact O-N 3Å; D373-L381 VanDerWaalsContact O-N 3.14Å
374	F	68.7	Low	65.6	Low	68 Å²	68	99.3 Å²	99.3	30%	0.298	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.3	171.5	-177	-92.2	0	0	0	111.1	I368 A369 L371 I380	I368-F374 HydrophobicContact CG2-CD2 3.78Å; I368-F374 HydrophobicContact CG2-CE2 3.82Å; I368-F374 WeakPolarHBondContact O-CB 3.44Å; I368-F374 VanDerWaalsContact O-CD2 3.31Å; I368-F374 WeakPolarHBondContact O-CD2 3.46Å; I368-F374 WeakPolarHBondContact O-CG 3.24Å; A369-F374 HydrophobicContact CB-CD1 4.28Å; A369-F374 HydrophobicContact CB-CE1 4.06Å; A369-F374 HydrophobicContact CB-CZ 4.35Å; L371-F374 HydrophobicContact CB-CB 4.38Å; L371-F374 WeakPolarHBondContact O-CB 3.39Å; L371-F374 PolarHBondContact O-N 3.44Å; L371-F374 VanDerWaalsContact O-N 3.12Å; F374-I380 HydrophobicContact CD2-CG1 4.15Å
375	D	69.6	Low	63.4	Low	35 Å²	35	97.2 Å²	97.2	19%	0.187	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.8	174.4	-162.4	8.4	0	0	0	111.3	K344 D377 M378 G379	K344-D375 IonicContact NZ-OD1 3.24Å; K344-D375 PolarHBondContact NZ-OD1 2.86Å; K344-D375 IonicContact NZ-OD2 2.69Å; K344-D375 PolarHBondContact NZ-OD2 3.38Å; D375-D377 PolarHBondContact O-N 2.92Å; D375-M378 HydrophobicContact CB-CB 4.43Å; D375-M378 PolarHBondContact O-N 2.94Å; D375-M378 VanDerWaalsContact O-N 3.1Å; D375-G379 PolarHBondContact N-O 3.41Å; D375-G379 WeakPolarHBondContact O-CA 3.24Å; D375-G379 PolarHBondContact O-N 2.96Å
376	E	63.9	Low	61.4	Low	184 Å²	184	98.8 Å²	98.8	86%	0.86	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.1	-173	-65	-171.7	132.1	0	0	113.1
377	D	66.4	Low	59.6	Low	147 Å²	147	103.2 Å²	103.2	79%	0.786	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-21.9	179.3	-75.7	-47.2	0	0	0	114.1	D375	D375-D377 PolarHBondContact O-N 2.92Å
378	M	56.1	Low	58	Low	144 Å²	144	106.3 Å²	106.3	71%	0.709	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.7	-11.9	-165.5	-65.7	-72.9	-74.7	0	0	114.5	D375	D375-M378 HydrophobicContact CB-CB 4.43Å; D375-M378 PolarHBondContact O-N 2.94Å; D375-M378 VanDerWaalsContact O-N 3.1Å
379	G	67.5	Low	56.7	Low	24 Å²	24	107.4 Å²	107.4	25%	0.247	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	77.9	-154.2	-171.6	0	0	0	0	0	112.4	D375 L381	D375-G379 PolarHBondContact N-O 3.41Å; D375-G379 WeakPolarHBondContact O-CA 3.24Å; D375-G379 PolarHBondContact O-N 2.96Å; G379-L381 PolarHBondContact O-N 3.01Å
380	I	61	Low	55.4	Low	84 Å²	84	110.2 Å²	110.2	43%	0.431	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-62.5	120.5	165.8	-56.7	173.9	0	0	0	107.2	I368 L371 F374 K382	I368-I380 HydrophobicContact CG2-CD1 3.88Å; I368-I380 HydrophobicContact CG2-CG1 3.88Å; L371-I380 HydrophobicContact CD1-CD1 3.86Å; L371-I380 HydrophobicContact CD1-CG1 4.25Å; F374-I380 HydrophobicContact CD2-CG1 4.15Å; I380-K382 PolarHBondContact O-N 2.99Å; I380-K382 VanDerWaalsContact O-N 3.11Å
381	L	57.6	Low	54.7	Low	98 Å²	98	108.9 Å²	108.9	51%	0.513	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-58.1	116.2	166.8	-86.1	145.4	0	0	0	108.2	D373 G379 E383	D373-L381 PolarHBondContact O-N 3Å; D373-L381 VanDerWaalsContact O-N 3.14Å; G379-L381 PolarHBondContact O-N 3.01Å; L381-E383 PolarHBondContact O-N 3.29Å
382	K	50.6	Low	54.4	Low	190 Å²	190	109.9 Å²	109.9	83%	0.826	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.4	167.6	-80.1	-166.8	172.7	-169	0	107.9	I380 E384	I380-K382 PolarHBondContact O-N 2.99Å; I380-K382 VanDerWaalsContact O-N 3.11Å; K382-E384 PolarHBondContact O-N 3Å; K382-E384 VanDerWaalsContact O-N 3.12Å
383	E	44.4	Very low	54.3	Low	156 Å²	156	109 Å²	109	73%	0.729	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-50.4	117.5	160.3	-67	159.9	136.2	0	0	107.4	L381 A385	L381-E383 PolarHBondContact O-N 3.29Å; E383-A385 PolarHBondContact O-N 3.15Å; E383-A385 VanDerWaalsContact O-N 3.15Å
384	E	36.7	Very low	54.6	Low	198 Å²	198	107.3 Å²	107.3	93%	0.925	55%	0.549	S	S	*	.			trans	-67.2	110.6	161.3	-67	-161.5	141.1	0	0	105	K382 D386	K382-E384 PolarHBondContact O-N 3Å; K382-E384 VanDerWaalsContact O-N 3.12Å; E384-D386 PolarHBondContact O-N 3.19Å
385	A	35.4	Very low	54.7	Low	66 Å²	66	107 Å²	107	55%	0.545	55%	0.548	S	S	.	.			trans	-63.5	130.5	-144.3	0	0	0	0	0	114.3	E383 D387	E383-A385 PolarHBondContact O-N 3.15Å; E383-A385 VanDerWaalsContact O-N 3.15Å; A385-D387 PolarHBondContact O-N 3Å
386	D	37.7	Very low	55	Low	128 Å²	128	108.5 Å²	108.5	68%	0.684	56%	0.556	S	S	*	*	S	Bend	trans	49.3	-11.9	150.6	-56.1	-25	0	0	0	120.8	E384 D388 D389	E384-D386 PolarHBondContact O-N 3.19Å; D386-D388 PolarHBondContact O-N 3.49Å; D386-D389 PolarHBondContact O-N 3.25Å
387	D	39.2	Very low	55.3	Low	132 Å²	132	101.1 Å²	101.1	71%	0.706	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-76.2	-19.7	-173.1	-73.8	-11.3	0	0	0	113.2	A385 E390	A385-D387 PolarHBondContact O-N 3Å; D387-E390 PolarHBondContact O-N 3.23Å
388	D	42.5	Very low	55.1	Low	123 Å²	123	101.2 Å²	101.2	66%	0.658	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-85.1	-7.7	176.9	-116.7	-8	0	0	0	113.4	D386 K1123	D386-D388 PolarHBondContact O-N 3.49Å; D388-K1123 IonicContact OD1-NZ 3.97Å; D388-K1123 PolarHBondContact OD1-NZ 3.11Å; D388-K1123 IonicContact OD2-NZ 2.67Å
389	D	44.4	Very low	55.5	Low	132 Å²	132	100.5 Å²	100.5	71%	0.706	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-93.7	8.3	167.7	-93	-7.1	0	0	0	111.3	R354 D386 D391	R354-D389 IonicContact NH1-OD2 3.6Å; D386-D389 PolarHBondContact O-N 3.25Å; D389-D391 PolarHBondContact O-N 2.91Å
390	E	46.6	Very low	55.4	Low	124 Å²	124	103.9 Å²	103.9	58%	0.579	52%	0.523	S	S	*	.	S	Bend	trans	-62.4	131.2	166.4	-79.5	-151.6	146.6	0	0	110.9	D387 I392	D387-E390 PolarHBondContact O-N 3.23Å; E390-I392 VanDerWaalsContact C-N 3.32Å; E390-I392 WeakPolarHBondContact O-CG1 3.49Å; E390-I392 PolarHBondContact O-N 2.7Å
391	D	57.7	Low	55.7	Low	97 Å²	97	100.3 Å²	100.3	52%	0.519	51%	0.506	S	S	.	.			trans	-69.4	80.6	-179.9	-161.5	27.3	0	0	0	109.8	D389 E393 K1069 K1145	D389-D391 PolarHBondContact O-N 2.91Å; D391-E393 PolarHBondContact O-N 3.32Å; D391-K1069 IonicContact OD1-NZ 3.92Å; D391-K1145 IonicContact OD2-NZ 3.11Å; D391-K1145 PolarHBondContact OD2-NZ 3.47Å
392	I	62.9	Low	56.3	Low	46 Å²	46	98.9 Å²	98.9	24%	0.236	50%	0.503	C	S	.	.			trans	-60.8	92.4	-173.2	-53.9	-175	0	0	0	110.9	E390 P1122 K1123 F1135	E390-I392 VanDerWaalsContact C-N 3.32Å; E390-I392 WeakPolarHBondContact O-CG1 3.49Å; E390-I392 PolarHBondContact O-N 2.7Å; I392-P1122 HydrophobicContact CB-CG 4.3Å; I392-P1122 HydrophobicContact CD1-CG 4.44Å; I392-P1122 HydrophobicContact CG2-CB 4.34Å; I392-K1123 HydrophobicContact CD1-CD 4.33Å; I392-K1123 HydrophobicContact CD1-CG 3.88Å; I392-F1135 HydrophobicContact CG2-CD1 3.81Å; I392-F1135 HydrophobicContact CG2-CE1 3.89Å
393	E	65.6	Low	57.4	Low	50 Å²	50	92.4 Å²	92.4	23%	0.234	48%	0.475	C	S	.	.			trans	-71.5	135.8	172	-75.8	-179.4	-110.3	0	0	110.3	D391 G1136 S1142 K1145	D391-E393 PolarHBondContact O-N 3.32Å; E393-G1136 PolarHBondContact O-N 3.41Å; E393-S1142 VanDerWaalsContact OE2-CB 3.3Å; E393-S1142 WeakPolarHBondContact OE2-CB 3.41Å; E393-K1145 VanDerWaalsContact CD-NZ 3.33Å; E393-K1145 VanDerWaalsContact OE1-CD 3.27Å; E393-K1145 WeakPolarHBondContact OE1-CD 3.35Å; E393-K1145 WeakPolarHBondContact OE1-CE 3.44Å; E393-K1145 IonicContact OE1-NZ 2.65Å; E393-K1145 PolarHBondContact OE1-NZ 2.91Å; E393-K1145 WeakPolarHBondContact OE2-CD 3.31Å
394	I	72.4	Confident	58.6	Low	28 Å²	28	85.7 Å²	85.7	14%	0.144	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.4	170.8	-57.8	-176.8	0	0	0	107.3	W1100 P1122 L1125 V1126 F1133	I394-W1100 HydrophobicContact CB-CH2 4.22Å; I394-W1100 HydrophobicContact CD1-CH2 3.82Å; I394-W1100 HydrophobicContact CD1-CZ3 3.78Å; I394-W1100 HydrophobicContact CG1-CH2 3.88Å; I394-W1100 HydrophobicContact CG1-CZ3 4.31Å; I394-P1122 HydrophobicContact CD1-CB 3.8Å; I394-P1122 WeakPolarHBondContact CD1-O 3.23Å; I394-P1122 HydrophobicContact CG1-CB 4.44Å; I394-L1125 HydrophobicContact CD1-CB 3.97Å; I394-L1125 HydrophobicContact CD1-CD1 3.94Å; I394-V1126 HydrophobicContact CD1-CG2 4.05Å; I394-V1126 HydrophobicContact CG1-CG2 4.1Å; I394-V1126 HydrophobicContact CG2-CG2 4.19Å; I394-F1133 HydrophobicContact CG2-CB 3.64Å; I394-F1133 HydrophobicContact CG2-CD1 3.42Å; I394-F1133 VanDerWaalsContact CG2-CD1 3.42Å; I394-F1133 HydrophobicContact CG2-CE1 4.21Å; I394-F1133 HydrophobicContact CG2-CG 3.68Å
395	E	71.4	Confident	59.9	Low	61 Å²	61	82.8 Å²	82.8	29%	0.285	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.3	174.6	-63.2	-164.2	115.7	0	0	110.8	F1133 R1134 S1142	E395-F1133 WeakPolarHBondContact O-CA 3.39Å; E395-R1134 PolarHBondContact N-O 3.42Å; E395-R1134 PolarHBondContact O-N 3.4Å; E395-S1142 WeakPolarHBondContact OE1-CA 3.47Å; E395-S1142 WeakPolarHBondContact OE1-CB 3.26Å; E395-S1142 PolarHBondContact OE1-OG 3.17Å
396	L	74.6	Confident	61.1	Low	67 Å²	67	82.7 Å²	82.7	35%	0.351	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.5	173.2	-66.4	171.2	0	0	0	111.2	F1132 F1133	L396-F1132 HydrophobicContact CD2-CD1 4.19Å; L396-F1132 HydrophobicContact CD2-CE1 3.59Å; L396-F1132 HydrophobicContact CD2-CZ 3.98Å; L396-F1133 HydrophobicContact CD2-CD1 4.04Å; L396-F1133 HydrophobicContact CD2-CE1 3.69Å
397	V	71.5	Confident	62.4	Low	28 Å²	28	82.2 Å²	82.2	17%	0.17	43%	0.425	C	S	.	.			trans	-87.4	111	172.7	178.8	0	0	0	0	110.3	E399 A1131 F1132 R1134	V397-E399 HydrophobicContact CG1-CB 3.89Å; V397-E399 HydrophobicContact CG1-CG 4.37Å; V397-E399 PolarHBondContact O-N 3.15Å; V397-A1131 WeakPolarHBondContact CB-O 3.2Å; V397-A1131 WeakPolarHBondContact CG1-O 3.34Å; V397-A1131 WeakPolarHBondContact CG2-O 3.43Å; V397-F1132 PolarHBondContact N-O 3.33Å; V397-R1134 HydrophobicContact CG2-CG 3.68Å
398	E	62.2	Low	63.2	Low	149 Å²	149	76.9 Å²	76.9	70%	0.696	40%	0.401	S	S	*	.			trans	-85	22.2	-179.6	-55.8	-174.6	147.9	0	0	113.8	K1143	E398-K1143 IonicContact OE1-NZ 2.59Å; E398-K1143 PolarHBondContact OE1-NZ 3.5Å; E398-K1143 IonicContact OE2-NZ 3.01Å; E398-K1143 PolarHBondContact OE2-NZ 3.45Å
399	E	64.3	Low	63.7	Low	130 Å²	130	81.2 Å²	81.2	61%	0.607	41%	0.409	S	S	*	.			trans	-98.4	106.3	-176.5	-74.6	158	-145.2	0	0	110.8	V397 R1134	V397-E399 HydrophobicContact CG1-CB 3.89Å; V397-E399 HydrophobicContact CG1-CG 4.37Å; V397-E399 PolarHBondContact O-N 3.15Å; E399-R1134 IonicContact OE1-CZ 2.62Å; E399-R1134 VanDerWaalsContact OE1-CZ 3.31Å; E399-R1134 IonicContact OE1-NH1 3.04Å; E399-R1134 PolarHBondContact OE1-NH1 2.89Å; E399-R1134 IonicContact OE1-NH2 2.71Å; E399-R1134 PolarHBondContact OE1-NH2 2.68Å; E399-R1134 IonicContact OE2-CZ 2.62Å; E399-R1134 IonicContact OE2-NH1 2.82Å; E399-R1134 IonicContact OE2-NH2 2.82Å; E399-R1134 PolarHBondContact OE2-NH2 2.77Å
400	E	63.8	Low	64.1	Low	94 Å²	94	80.8 Å²	80.8	44%	0.439	40%	0.404	S	S	.	.			trans	-58.2	138.4	175.5	-68.6	-178.9	-172.5	0	0	112
401	A	69	Low	64.5	Low	10 Å²	10	76.3 Å²	76.3	8%	0.083	39%	0.386	C	S	.	.			trans	-57.8	138.7	175.9	0	0	0	0	0	111.5	F403 L404	A401-F403 VanDerWaalsContact C-N 3.31Å; A401-F403 HydrophobicContact CB-CD1 4.09Å; A401-F403 HydrophobicContact CB-CE1 3.76Å; A401-F403 HydrophobicContact CB-CZ 4.45Å; A401-F403 PolarHBondContact O-N 2.81Å; A401-F403 VanDerWaalsContact O-N 3.14Å; A401-L404 HydrophobicContact CB-CD1 4.31Å; A401-L404 HydrophobicContact CB-CG 4.44Å; A401-L404 PolarHBondContact O-N 3.32Å
402	P	69.2	Low	64.2	Low	67 Å²	67	79 Å²	79	44%	0.435	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-54.3	-39.4	-172.1	-30.8	37.6	0	0	0	115.3	L404 Q405 D921	P402-L404 VanDerWaalsContact C-N 3.26Å; P402-L404 PolarHBondContact O-N 3.35Å; P402-Q405 WeakPolarHBondContact O-CG 3.41Å; P402-Q405 PolarHBondContact O-N 2.79Å; P402-D921 HydrophobicContact CG-CB 4.14Å
403	F	74.1	Confident	63.7	Low	54 Å²	54	83.8 Å²	83.8	24%	0.237	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-73.7	-8.9	178.3	73	-86.3	0	0	0	115	A401 L910 H914	A401-F403 VanDerWaalsContact C-N 3.31Å; A401-F403 HydrophobicContact CB-CD1 4.09Å; A401-F403 HydrophobicContact CB-CE1 3.76Å; A401-F403 HydrophobicContact CB-CZ 4.45Å; A401-F403 PolarHBondContact O-N 2.81Å; A401-F403 VanDerWaalsContact O-N 3.14Å; F403-L910 HydrophobicContact CE2-CB 4.29Å; F403-H914 HydrophobicContact CE1-CB 4.04Å; F403-H914 AromaticContact CE1-CD2 3.69Å; F403-H914 AromaticContact CE1-CG 3.92Å; F403-H914 HydrophobicContact CZ-CB 4.1Å
404	L	70.2	Confident	63.2	Low	16 Å²	16	82.6 Å²	82.6	8%	0.084	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-102.3	-4.8	176.9	-64.6	179.8	0	0	0	113.3	A401 P402 G406 Y407 I907 E911	A401-L404 HydrophobicContact CB-CD1 4.31Å; A401-L404 HydrophobicContact CB-CG 4.44Å; A401-L404 PolarHBondContact O-N 3.32Å; P402-L404 VanDerWaalsContact C-N 3.26Å; P402-L404 PolarHBondContact O-N 3.35Å; L404-G406 PolarHBondContact O-N 2.91Å; L404-G406 VanDerWaalsContact O-N 3.12Å; L404-Y407 WeakPolarHBondContact O-CB 3.35Å; L404-Y407 PolarHBondContact O-N 2.87Å; L404-I907 HydrophobicContact CD1-CG2 4.49Å; L404-I907 HydrophobicContact CD2-CG2 4.39Å; L404-E911 HydrophobicContact CD1-CB 4.12Å
405	Q	62.9	Low	62.6	Low	136 Å²	136	87.8 Å²	87.8	64%	0.636	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	117.6	-174.6	-72	-176.3	4.6	0	0	112	P402	P402-Q405 WeakPolarHBondContact O-CG 3.41Å; P402-Q405 PolarHBondContact O-N 2.79Å
406	G	61.3	Low	62.1	Low	64 Å²	64	88.5 Å²	88.5	66%	0.66	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.4	-25.3	-177.2	0	0	0	0	0	114.3	L404	L404-G406 PolarHBondContact O-N 2.91Å; L404-G406 VanDerWaalsContact O-N 3.12Å
407	Y	65.6	Low	61.8	Low	119 Å²	119	87.8 Å²	87.8	47%	0.467	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-31.6	176.9	-68.8	-82.6	0	0	0	112.9	L404 R409 M410 I907	L404-Y407 WeakPolarHBondContact O-CB 3.35Å; L404-Y407 PolarHBondContact O-N 2.87Å; Y407-R409 PolarHBondContact O-N 3.13Å; Y407-R409 VanDerWaalsContact O-N 3.11Å; Y407-M410 PolarHBondContact O-N 3.26Å; Y407-M410 VanDerWaalsContact O-N 3.15Å; Y407-I907 HydrophobicContact CD1-CD1 4.19Å; Y407-I907 HydrophobicContact CG-CD1 4.37Å
408	G	55.4	Low	61.6	Low	20 Å²	20	93 Å²	93	21%	0.206	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.1	-173.9	0	0	0	0	0	115.1	M410 C411	G408-M410 PolarHBondContact O-N 3.21Å; G408-M410 VanDerWaalsContact O-N 3.16Å; G408-C411 WeakPolarHBondContact O-CB 3.49Å; G408-C411 PolarHBondContact O-N 2.91Å
409	R	52.7	Low	62.1	Low	214 Å²	214	86.5 Å²	86.5	81%	0.808	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.3	179	-71.5	-170	179.4	-170.9	1.2	114.5	Y407 C411	Y407-R409 PolarHBondContact O-N 3.13Å; Y407-R409 VanDerWaalsContact O-N 3.11Å; R409-C411 VanDerWaalsContact C-N 3.26Å; R409-C411 PolarHBondContact O-N 3.24Å
410	M	53	Low	62.5	Low	123 Å²	123	82.4 Å²	82.4	61%	0.606	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-75.3	-13.3	177.8	-70.3	-173.8	167.8	0	0	113.3	Y407 G408 Q412	Y407-M410 PolarHBondContact O-N 3.26Å; Y407-M410 VanDerWaalsContact O-N 3.15Å; G408-M410 PolarHBondContact O-N 3.21Å; G408-M410 VanDerWaalsContact O-N 3.16Å; M410-Q412 PolarHBondContact O-N 3.36Å
411	C	55.2	Low	63.1	Low	29 Å²	29	82.8 Å²	82.8	20%	0.196	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-74.7	-4.4	-177.4	-63.7	0	0	0	0	114.6	G408 R409 L414 K820	G408-C411 WeakPolarHBondContact O-CB 3.49Å; G408-C411 PolarHBondContact O-N 2.91Å; R409-C411 VanDerWaalsContact C-N 3.26Å; R409-C411 PolarHBondContact O-N 3.24Å; C411-L414 HydrophobicContact CB-CD1 4.22Å; C411-L414 WeakPolarHBondContact O-CD1 3.47Å; C411-L414 WeakPolarHBondContact O-CG 3.31Å; C411-K820 WeakPolarHBondContact O-CE 3.3Å
412	Q	50.5	Low	63.3	Low	154 Å²	154	85.6 Å²	85.6	72%	0.72	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-78.2	-37.1	-179.3	-61.6	-168.5	-2.4	0	0	112.4	M410 L414 K820	M410-Q412 PolarHBondContact O-N 3.36Å; Q412-L414 PolarHBondContact O-N 2.9Å; Q412-K820 WeakPolarHBondContact O-CE 3.41Å; Q412-K820 PolarHBondContact O-NZ 2.8Å
413	D	52.9	Low	63.3	Low	147 Å²	147	86.3 Å²	86.3	79%	0.786	44%	0.442	S	S	*	.	S	Bend	trans	-93.1	8.6	-170.8	-65.3	-34.2	0	0	0	114.9	E415	D413-E415 PolarHBondContact O-N 2.97Å; D413-E415 VanDerWaalsContact O-N 3.17Å
414	L	55.5	Low	63.4	Low	24 Å²	24	90.1 Å²	90.1	13%	0.126	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-58.5	118.7	-174.6	-46.7	172.9	0	0	0	113	C411 Q412 K820 E904 M908	C411-L414 HydrophobicContact CB-CD1 4.22Å; C411-L414 WeakPolarHBondContact O-CD1 3.47Å; C411-L414 WeakPolarHBondContact O-CG 3.31Å; Q412-L414 PolarHBondContact O-N 2.9Å; L414-K820 HydrophobicContact CB-CD 3.91Å; L414-K820 HydrophobicContact CB-CG 4.02Å; L414-K820 HydrophobicContact CD1-CD 4.45Å; L414-K820 HydrophobicContact CD1-CG 3.71Å; L414-K820 HydrophobicContact CG-CG 4.32Å; L414-K820 VanDerWaalsContact N-NZ 3.2Å; L414-K820 PolarHBondContact O-NZ 3.34Å; L414-E904 HydrophobicContact CD1-CB 4.29Å; L414-E904 HydrophobicContact CD2-CB 3.39Å; L414-E904 HydrophobicContact CD2-CG 3.42Å; L414-E904 VanDerWaalsContact CD2-CG 3.42Å; L414-E904 HydrophobicContact CG-CB 4.49Å; L414-M908 HydrophobicContact CD1-SD 4.08Å
415	E	58.9	Low	63.6	Low	137 Å²	137	89.8 Å²	89.8	64%	0.64	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-88.4	150.5	158.7	-68.5	-175.3	126.2	0	0	109.9	D413 K418	D413-E415 PolarHBondContact O-N 2.97Å; D413-E415 VanDerWaalsContact O-N 3.17Å; E415-K418 IonicContact OE1-NZ 3.2Å; E415-K418 PolarHBondContact OE1-NZ 3.01Å; E415-K418 WeakPolarHBondContact OE2-CE 3.41Å; E415-K418 IonicContact OE2-NZ 2.67Å; E415-K418 PolarHBondContact OE2-NZ 3.15Å
416	P	62.1	Low	64.5	Low	77 Å²	77	85 Å²	85	50%	0.5	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-66.4	146.7	170.5	29.3	-34.8	0	0	0	111.3	K418	P416-K418 PolarHBondContact O-N 2.94Å
417	V	67.4	Low	65.4	Low	52 Å²	52	82.4 Å²	82.4	32%	0.315	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-57.1	121.5	-178	175.3	0	0	0	0	110.9	V419 R874 P902	V417-V419 WeakPolarHBondContact O-CG2 3.43Å; V417-V419 PolarHBondContact O-N 3.2Å; V417-R874 HydrophobicContact CG1-CG 4.38Å; V417-P902 HydrophobicContact CG2-CG 3.96Å
418	K	68.2	Low	65.9	Low	136 Å²	136	77.1 Å²	77.1	59%	0.591	40%	0.398	S	S	*	.			trans	-75.9	88	-172.7	-67.2	177.1	-179.1	170.6	0	111.3	E415 P416 V420	E415-K418 IonicContact OE1-NZ 3.2Å; E415-K418 PolarHBondContact OE1-NZ 3.01Å; E415-K418 WeakPolarHBondContact OE2-CE 3.41Å; E415-K418 IonicContact OE2-NZ 2.67Å; E415-K418 PolarHBondContact OE2-NZ 3.15Å; P416-K418 PolarHBondContact O-N 2.94Å; K418-V420 PolarHBondContact O-N 2.94Å
419	V	71.5	Confident	66.9	Low	14 Å²	14	81.4 Å²	81.4	9%	0.085	41%	0.412	C	S	.	.			trans	-70.9	-18.8	176.2	-174.6	0	0	0	0	112.5	V417 I816 L865 R874	V417-V419 WeakPolarHBondContact O-CG2 3.43Å; V417-V419 PolarHBondContact O-N 3.2Å; V419-I816 HydrophobicContact CB-CD1 4.26Å; V419-I816 HydrophobicContact CG2-CD1 3.66Å; V419-I816 HydrophobicContact CG2-CG1 4.12Å; V419-L865 WeakPolarHBondContact O-CD1 3.32Å; V419-R874 HydrophobicContact CG2-CG 4.41Å
420	V	74	Confident	67.9	Low	43 Å²	43	71.7 Å²	71.7	26%	0.261	38%	0.378	S	S	.	.	S	Bend	trans	-109.7	132.7	178	-171.3	0	0	0	0	109.5	K418 N422 A428 P830	K418-V420 PolarHBondContact O-N 2.94Å; V420-N422 WeakPolarHBondContact CG1-O 3.47Å; V420-A428 HydrophobicContact CG1-CB 4.22Å; V420-P830 HydrophobicContact CG1-CG 4.22Å; V420-P830 HydrophobicContact CG2-CG 4.37Å
421	K	75.4	Confident	69	Low	102 Å²	102	66.2 Å²	66.2	44%	0.443	35%	0.353	S	S	.	.	S	Bend	trans	-67.1	-48.2	-179.2	-170.2	-177.3	171.8	-165.9	0	112.3	D862 E863 L865	K421-D862 WeakPolarHBondContact CD-O 3.13Å; K421-D862 VanDerWaalsContact CE-O 3.31Å; K421-D862 WeakPolarHBondContact CE-O 3.45Å; K421-D862 PolarHBondContact NZ-O 3.34Å; K421-E863 WeakPolarHBondContact CB-O 3.33Å; K421-L865 HydrophobicContact CB-CD2 3.88Å; K421-L865 HydrophobicContact CB-CG 4.43Å; K421-L865 HydrophobicContact CD-CD2 4.49Å; K421-L865 HydrophobicContact CG-CD2 4.25Å
422	N	74.2	Confident	69.8	Low	70 Å²	70	72 Å²	72	37%	0.374	38%	0.378	S	S	.	.			trans	-124.6	106.8	177	-62.2	-3.5	0	0	0	108.5	V420 D424 G425	V420-N422 WeakPolarHBondContact CG1-O 3.47Å; N422-D424 PolarHBondContact O-N 3.3Å; N422-G425 PolarHBondContact O-N 3.04Å
423	P	69.5	Low	70.5	Confident	82 Å²	82	70.2 Å²	70.2	53%	0.532	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.5	-178.2	27.8	-34.8	0	0	0	113.1	G425 A428	P423-G425 VanDerWaalsContact C-N 3.3Å; P423-A428 WeakPolarHBondContact O-CB 3.47Å
424	D	75	Confident	71	Confident	134 Å²	134	68 Å²	68	72%	0.717	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	3	177.6	-46.3	-65.5	0	0	0	113.2	N422 Q429	N422-D424 PolarHBondContact O-N 3.3Å; D424-Q429 PolarHBondContact O-NE2 3.43Å
425	G	75.3	Confident	71.1	Confident	8 Å²	8	67.1 Å²	67.1	8%	0.082	35%	0.353	C	S	.	.	S	Bend	trans	-65.8	158	-176.4	0	0	0	0	0	114.1	N422 P423 L427 A428 Q429	N422-G425 PolarHBondContact O-N 3.04Å; P423-G425 VanDerWaalsContact C-N 3.3Å; G425-L427 VanDerWaalsContact C-N 3.29Å; G425-L427 PolarHBondContact O-N 3.25Å; G425-A428 WeakPolarHBondContact O-CB 3.49Å; G425-A428 PolarHBondContact O-N 3.25Å; G425-Q429 WeakPolarHBondContact O-CG 3.28Å; G425-Q429 PolarHBondContact O-N 3.19Å
426	S	81.1	Confident	71.1	Confident	36 Å²	36	63.4 Å²	63.4	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-58.4	-39.2	-179.4	59.9	0	0	0	0	112.9	A430 E863	S426-A430 WeakPolarHBondContact O-CB 3.43Å; S426-A430 PolarHBondContact O-N 2.76Å; S426-A430 VanDerWaalsContact O-N 3.08Å; S426-E863 WeakPolarHBondContact CB-OE1 3.35Å; S426-E863 VanDerWaalsContact N-CD 3.28Å; S426-E863 PolarHBondContact N-OE1 3.28Å; S426-E863 PolarHBondContact N-OE2 3.46Å; S426-E863 PolarHBondContact OG-OE1 2.76Å; S426-E863 PolarHBondContact OG-OE2 3.21Å
427	L	79.8	Confident	71	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.052	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-35.5	173.9	-68.9	172.2	0	0	0	112.4	G425 A431 F811 P830 Y855 A859 E863 M864	G425-L427 VanDerWaalsContact C-N 3.29Å; G425-L427 PolarHBondContact O-N 3.25Å; L427-A431 WeakPolarHBondContact O-CB 3.44Å; L427-A431 PolarHBondContact O-N 3.38Å; L427-F811 HydrophobicContact CB-CE1 4.36Å; L427-F811 HydrophobicContact CD2-CE1 4.33Å; L427-F811 HydrophobicContact CD2-CZ 4.03Å; L427-F811 VanDerWaalsContact O-CE1 3.31Å; L427-F811 WeakPolarHBondContact O-CE1 3.2Å; L427-P830 HydrophobicContact CB-CB 4.27Å; L427-P830 HydrophobicContact CD1-CB 4.23Å; L427-Y855 HydrophobicContact CD2-CG 4.42Å; L427-A859 HydrophobicContact CD1-CB 3.96Å; L427-A859 HydrophobicContact CG-CB 4.09Å; L427-E863 WeakPolarHBondContact CB-OE2 3Å; L427-E863 HydrophobicContact CD1-CB 4.23Å; L427-E863 PolarHBondContact N-OE2 3.17Å; L427-M864 HydrophobicContact CD1-CE 3.69Å; L427-M864 HydrophobicContact CD1-CG 3.9Å
428	A	76	Confident	70.7	Confident	8 Å²	8	59.9 Å²	59.9	7%	0.066	32%	0.324	C	S	.	.	H	α-helix	trans	-70.6	-40.6	179.9	0	0	0	0	0	111.2	V420 P423 G425 A431 M432	V420-A428 HydrophobicContact CG1-CB 4.22Å; P423-A428 WeakPolarHBondContact O-CB 3.47Å; G425-A428 WeakPolarHBondContact O-CB 3.49Å; G425-A428 PolarHBondContact O-N 3.25Å; A428-A431 PolarHBondContact O-N 3.43Å; A428-M432 WeakPolarHBondContact O-CG 3.42Å; A428-M432 PolarHBondContact O-N 3.36Å
429	Q	76.4	Confident	70.6	Confident	109 Å²	109	59.3 Å²	59.3	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-46.3	173.2	-64.3	179.6	27.3	0	0	111.4	D424 G425 A431 M432 M433	D424-Q429 PolarHBondContact O-NE2 3.43Å; G425-Q429 WeakPolarHBondContact O-CG 3.28Å; G425-Q429 PolarHBondContact O-N 3.19Å; Q429-A431 VanDerWaalsContact C-N 3.29Å; Q429-A431 PolarHBondContact O-N 3.44Å; Q429-M432 WeakPolarHBondContact O-CB 3.32Å; Q429-M432 PolarHBondContact O-N 3.17Å; Q429-M433 WeakPolarHBondContact O-CG 3.47Å; Q429-M433 PolarHBondContact O-N 3.17Å
430	A	75.1	Confident	70.3	Confident	11 Å²	11	63.3 Å²	63.3	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-33	174.4	0	0	0	0	0	113.2	S426 M432 F811	S426-A430 WeakPolarHBondContact O-CB 3.43Å; S426-A430 PolarHBondContact O-N 2.76Å; S426-A430 VanDerWaalsContact O-N 3.08Å; A430-M432 VanDerWaalsContact C-N 3.35Å; A430-F811 HydrophobicContact CB-CZ 3.97Å
431	A	75.2	Confident	69.8	Low	8 Å²	8	64.4 Å²	64.4	7%	0.066	34%	0.339	C	S	.	.	H	α-helix	trans	-70.8	-25.6	172.8	0	0	0	0	0	113.7	L427 A428 Q429 Q434 F811 V828	L427-A431 WeakPolarHBondContact O-CB 3.44Å; L427-A431 PolarHBondContact O-N 3.38Å; A428-A431 PolarHBondContact O-N 3.43Å; Q429-A431 VanDerWaalsContact C-N 3.29Å; Q429-A431 PolarHBondContact O-N 3.44Å; A431-Q434 WeakPolarHBondContact O-CG 3.46Å; A431-F811 HydrophobicContact CB-CD1 4.17Å; A431-F811 HydrophobicContact CB-CE1 3.85Å; A431-V828 HydrophobicContact CB-CG1 4.03Å
432	M	71.3	Confident	69.3	Low	149 Å²	149	66.7 Å²	66.7	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-79.7	-37.2	172.2	-68.3	-175.5	-171	0	0	112.3	A428 Q429 A430 Q434	A428-M432 WeakPolarHBondContact O-CG 3.42Å; A428-M432 PolarHBondContact O-N 3.36Å; Q429-M432 WeakPolarHBondContact O-CB 3.32Å; Q429-M432 PolarHBondContact O-N 3.17Å; A430-M432 VanDerWaalsContact C-N 3.35Å; M432-Q434 PolarHBondContact O-N 3.37Å
433	M	66.1	Low	69.1	Low	117 Å²	117	68.4 Å²	68.4	58%	0.576	35%	0.351	S	S	*	.	S	Bend	trans	-76.2	37.6	178.4	-63.3	-178.1	72.9	0	0	113.1	Q429 G435	Q429-M433 WeakPolarHBondContact O-CG 3.47Å; Q429-M433 PolarHBondContact O-N 3.17Å; M433-G435 PolarHBondContact O-N 2.88Å
434	Q	62.8	Low	69.1	Low	102 Å²	102	68 Å²	68	48%	0.477	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	106.5	-166.6	-67.1	-172.1	6.7	0	0	114.3	A431 M432 A436	A431-Q434 WeakPolarHBondContact O-CG 3.46Å; M432-Q434 PolarHBondContact O-N 3.37Å; Q434-A436 PolarHBondContact O-N 2.84Å
435	G	58.3	Low	68.7	Low	5 Å²	5	64.3 Å²	64.3	5%	0.052	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	66.6	168.5	0	0	0	0	0	112.4	M433 L437 A438 K439	M433-G435 PolarHBondContact O-N 2.88Å; G435-L437 PolarHBondContact O-N 3.34Å; G435-L437 VanDerWaalsContact O-N 3.16Å; G435-A438 WeakPolarHBondContact O-CA 3.24Å; G435-A438 WeakPolarHBondContact O-CB 3.48Å; G435-A438 PolarHBondContact O-N 3.09Å; G435-K439 PolarHBondContact O-N 2.84Å
436	A	58.7	Low	68.5	Low	58 Å²	58	67.2 Å²	67.2	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-48.7	-42.5	177.9	0	0	0	0	0	111	Q434 A438 K439 E440 D707	Q434-A436 PolarHBondContact O-N 2.84Å; A436-A438 PolarHBondContact O-N 3.33Å; A436-K439 PolarHBondContact O-N 3.2Å; A436-E440 VanDerWaalsContact O-CB 3.29Å; A436-E440 WeakPolarHBondContact O-CB 3.49Å; A436-E440 PolarHBondContact O-N 3.04Å; A436-D707 PolarHBondContact N-OD2 3.39Å
437	L	59.2	Low	68	Low	31 Å²	31	69.5 Å²	69.5	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-34.4	175.7	-169.7	153.5	0	0	0	113.1	G435 R441 D707 D710 I744	G435-L437 PolarHBondContact O-N 3.34Å; G435-L437 VanDerWaalsContact O-N 3.16Å; L437-R441 HydrophobicContact CD2-CG 4.12Å; L437-R441 VanDerWaalsContact O-CB 3.27Å; L437-R441 WeakPolarHBondContact O-CB 3.47Å; L437-R441 PolarHBondContact O-N 2.98Å; L437-D707 WeakPolarHBondContact CB-OD2 3.2Å; L437-D707 PolarHBondContact N-OD2 2.95Å; L437-D710 HydrophobicContact CD1-CB 3.97Å; L437-I744 HydrophobicContact CD2-CD1 3.36Å
438	A	61.2	Low	67.6	Low	25 Å²	25	73.8 Å²	73.8	21%	0.207	36%	0.359	C	S	.	.	H	α-helix	trans	-72.5	-36.2	176	0	0	0	0	0	112.3	G435 A436 R442 L709	G435-A438 WeakPolarHBondContact O-CA 3.24Å; G435-A438 WeakPolarHBondContact O-CB 3.48Å; G435-A438 PolarHBondContact O-N 3.09Å; A436-A438 PolarHBondContact O-N 3.33Å; A438-R442 VanDerWaalsContact O-CB 3.32Å; A438-R442 WeakPolarHBondContact O-CB 3.48Å; A438-R442 PolarHBondContact O-N 3.48Å; A438-R442 VanDerWaalsContact O-N 3.12Å; A438-L709 HydrophobicContact CB-CD2 3.92Å
439	K	67.6	Low	67	Low	123 Å²	123	77.1 Å²	77.1	54%	0.535	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-48	170.3	-177.4	-170.6	164.2	-166.7	0	110.6	G435 A436 R442 E443	G435-K439 PolarHBondContact O-N 2.84Å; A436-K439 PolarHBondContact O-N 3.2Å; K439-R442 WeakPolarHBondContact O-CA 3.44Å; K439-R442 WeakPolarHBondContact O-CB 3.13Å; K439-R442 PolarHBondContact O-N 3.39Å; K439-R442 VanDerWaalsContact O-N 3.1Å; K439-E443 WeakPolarHBondContact CE-OE1 3.44Å; K439-E443 IonicContact NZ-OE1 2.93Å; K439-E443 PolarHBondContact O-N 3Å
440	E	64.1	Low	66.5	Low	99 Å²	99	78.7 Å²	78.7	46%	0.463	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-50.6	178.5	-168.9	-160.9	162.3	0	0	111.1	A436 R442 E443 Q444	A436-E440 VanDerWaalsContact O-CB 3.29Å; A436-E440 WeakPolarHBondContact O-CB 3.49Å; A436-E440 PolarHBondContact O-N 3.04Å; E440-R442 PolarHBondContact O-N 3.12Å; E440-E443 CarbonylContact O-C 3.56Å; E440-E443 PolarHBondContact O-N 3.49Å; E440-Q444 HydrophobicContact CG-CG 4.4Å; E440-Q444 WeakPolarHBondContact O-CB 3.41Å; E440-Q444 WeakPolarHBondContact O-CG 3.49Å; E440-Q444 PolarHBondContact O-N 3.29Å; E440-Q444 PolarHBondContact OE1-NE2 3.19Å
441	R	63.7	Low	66.3	Low	65 Å²	65	83 Å²	83	25%	0.245	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-25.5	175.1	-84.2	-72.5	-167	121.1	12.2	113.2	L437 K445 E747	L437-R441 HydrophobicContact CD2-CG 4.12Å; L437-R441 VanDerWaalsContact O-CB 3.27Å; L437-R441 WeakPolarHBondContact O-CB 3.47Å; L437-R441 PolarHBondContact O-N 2.98Å; R441-K445 VanDerWaalsContact O-CB 3.23Å; R441-K445 WeakPolarHBondContact O-CB 3.28Å; R441-K445 VanDerWaalsContact O-CG 3.23Å; R441-K445 WeakPolarHBondContact O-CG 3.05Å; R441-K445 PolarHBondContact O-N 2.87Å; R441-E747 IonicContact CZ-OE2 3.17Å; R441-E747 VanDerWaalsContact CZ-OE2 3.23Å; R441-E747 IonicContact NH1-OE1 2.9Å; R441-E747 PolarHBondContact NH1-OE1 3.49Å; R441-E747 VanDerWaalsContact NH1-OE1 3.08Å; R441-E747 IonicContact NH1-OE2 2.99Å; R441-E747 PolarHBondContact NH1-OE2 3.19Å; R441-E747 IonicContact NH2-OE2 2.76Å; R441-E747 PolarHBondContact NH2-OE2 2.82Å
442	R	64.3	Low	65.7	Low	151 Å²	151	88.7 Å²	88.7	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-73.1	-43.2	171.4	177.1	178.8	-179.9	153.8	-0.6	111.1	A438 K439 E440 K445 I446 E736	A438-R442 VanDerWaalsContact O-CB 3.32Å; A438-R442 WeakPolarHBondContact O-CB 3.48Å; A438-R442 PolarHBondContact O-N 3.48Å; A438-R442 VanDerWaalsContact O-N 3.12Å; K439-R442 WeakPolarHBondContact O-CA 3.44Å; K439-R442 WeakPolarHBondContact O-CB 3.13Å; K439-R442 PolarHBondContact O-N 3.39Å; K439-R442 VanDerWaalsContact O-N 3.1Å; E440-R442 PolarHBondContact O-N 3.12Å; R442-K445 PolarHBondContact O-N 3.21Å; R442-I446 HydrophobicContact CG-CD1 4.05Å; R442-I446 WeakPolarHBondContact O-CD1 3.34Å; R442-I446 VanDerWaalsContact O-CG1 3.26Å; R442-I446 WeakPolarHBondContact O-CG1 3.2Å; R442-I446 PolarHBondContact O-N 3.16Å; R442-E736 IonicContact NH1-OE2 4Å
443	E	70.7	Confident	65	Low	106 Å²	106	87.9 Å²	87.9	50%	0.495	41%	0.412	S	S	.	.	H	α-helix	trans	-67.8	-44.7	176.8	-72.4	171.3	173.9	0	0	111.1	K439 E440 K445 I446 Q447	K439-E443 WeakPolarHBondContact CE-OE1 3.44Å; K439-E443 IonicContact NZ-OE1 2.93Å; K439-E443 PolarHBondContact O-N 3Å; E440-E443 CarbonylContact O-C 3.56Å; E440-E443 PolarHBondContact O-N 3.49Å; E443-K445 PolarHBondContact O-N 2.98Å; E443-I446 PolarHBondContact O-N 3.05Å; E443-Q447 VanDerWaalsContact O-CB 3.32Å; E443-Q447 WeakPolarHBondContact O-CB 3.47Å; E443-Q447 PolarHBondContact O-N 3.38Å
444	Q	69.6	Low	64.8	Low	72 Å²	72	86.8 Å²	86.8	34%	0.336	41%	0.408	S	S	.	.	H	α-helix	trans	-57.5	-44.1	169.8	-69.6	179.8	6.6	0	0	112.3	E440 Q447 Q448	E440-Q444 HydrophobicContact CG-CG 4.4Å; E440-Q444 WeakPolarHBondContact O-CB 3.41Å; E440-Q444 WeakPolarHBondContact O-CG 3.49Å; E440-Q444 PolarHBondContact O-N 3.29Å; E440-Q444 PolarHBondContact OE1-NE2 3.19Å; Q444-Q447 PolarHBondContact O-N 2.95Å; Q444-Q448 WeakPolarHBondContact O-CB 3.45Å; Q444-Q448 VanDerWaalsContact O-CG 3.29Å; Q444-Q448 WeakPolarHBondContact O-CG 3.47Å; Q444-Q448 PolarHBondContact O-N 2.85Å
445	K	66.7	Low	64.7	Low	58 Å²	58	86.4 Å²	86.4	25%	0.252	42%	0.417	S	S	.	.	H	α-helix	trans	-67.3	-36.5	177.3	-81.1	171.4	174.9	162.5	0	112.3	R441 R442 E443 Q449 E743	R441-K445 VanDerWaalsContact O-CB 3.23Å; R441-K445 WeakPolarHBondContact O-CB 3.28Å; R441-K445 VanDerWaalsContact O-CG 3.23Å; R441-K445 WeakPolarHBondContact O-CG 3.05Å; R441-K445 PolarHBondContact O-N 2.87Å; R442-K445 PolarHBondContact O-N 3.21Å; E443-K445 PolarHBondContact O-N 2.98Å; K445-Q449 WeakPolarHBondContact O-CB 3.33Å; K445-Q449 VanDerWaalsContact O-CG 3.31Å; K445-Q449 WeakPolarHBondContact O-CG 3.44Å; K445-Q449 PolarHBondContact O-N 3.4Å; K445-E743 IonicContact NZ-OE2 3.35Å; K445-E743 PolarHBondContact NZ-OE2 2.74Å
446	I	70	Confident	64.6	Low	68 Å²	68	91.7 Å²	91.7	35%	0.349	45%	0.448	S	S	.	.	H	α-helix	trans	-67.2	-38.7	172.8	-70.5	164.2	0	0	0	110.8	R442 E443 Q449 R450	R442-I446 HydrophobicContact CG-CD1 4.05Å; R442-I446 WeakPolarHBondContact O-CD1 3.34Å; R442-I446 VanDerWaalsContact O-CG1 3.26Å; R442-I446 WeakPolarHBondContact O-CG1 3.2Å; R442-I446 PolarHBondContact O-N 3.16Å; E443-I446 PolarHBondContact O-N 3.05Å; I446-Q449 PolarHBondContact O-N 3.24Å; I446-R450 WeakPolarHBondContact O-CG 3.27Å; I446-R450 PolarHBondContact O-N 3.46Å
447	Q	71.5	Confident	64	Low	84 Å²	84	90.8 Å²	90.8	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-68.8	-44.9	177.9	-175.8	57.8	24.8	0	0	111.7	E443 Q444 Q449 R450 E451	E443-Q447 VanDerWaalsContact O-CB 3.32Å; E443-Q447 WeakPolarHBondContact O-CB 3.47Å; E443-Q447 PolarHBondContact O-N 3.38Å; Q444-Q447 PolarHBondContact O-N 2.95Å; Q447-Q449 VanDerWaalsContact C-N 3.31Å; Q447-Q449 PolarHBondContact O-N 3.48Å; Q447-R450 WeakPolarHBondContact O-CB 3.48Å; Q447-R450 PolarHBondContact O-N 2.89Å; Q447-R450 VanDerWaalsContact O-N 3.16Å; Q447-E451 WeakPolarHBondContact CG-OE1 3.4Å; Q447-E451 PolarHBondContact NE2-OE1 3Å; Q447-E451 WeakPolarHBondContact O-CB 3.45Å; Q447-E451 WeakPolarHBondContact O-CG 3.37Å; Q447-E451 PolarHBondContact O-N 3.14Å
448	Q	70.5	Confident	63.4	Low	101 Å²	101	93 Å²	93	47%	0.472	46%	0.456	S	S	.	.	H	α-helix	trans	-61.6	-36.4	172.6	-74.1	172.9	-4.4	0	0	112.3	Q444 E451 Q452	Q444-Q448 WeakPolarHBondContact O-CB 3.45Å; Q444-Q448 VanDerWaalsContact O-CG 3.29Å; Q444-Q448 WeakPolarHBondContact O-CG 3.47Å; Q444-Q448 PolarHBondContact O-N 2.85Å; Q448-E451 PolarHBondContact O-N 3.44Å; Q448-Q452 WeakPolarHBondContact O-CB 3.46Å; Q448-Q452 VanDerWaalsContact O-CG 3.27Å; Q448-Q452 WeakPolarHBondContact O-CG 3.42Å; Q448-Q452 PolarHBondContact O-N 3.02Å
449	Q	63.6	Low	62.8	Low	78 Å²	78	97.2 Å²	97.2	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-44.5	172.6	-78.7	-174.7	-44	0	0	111.5	K445 I446 Q447 E451 Q452 E453	K445-Q449 WeakPolarHBondContact O-CB 3.33Å; K445-Q449 VanDerWaalsContact O-CG 3.31Å; K445-Q449 WeakPolarHBondContact O-CG 3.44Å; K445-Q449 PolarHBondContact O-N 3.4Å; I446-Q449 PolarHBondContact O-N 3.24Å; Q447-Q449 VanDerWaalsContact C-N 3.31Å; Q447-Q449 PolarHBondContact O-N 3.48Å; Q449-E451 PolarHBondContact O-N 2.91Å; Q449-Q452 PolarHBondContact O-N 2.69Å; Q449-E453 WeakPolarHBondContact O-CB 3.41Å; Q449-E453 VanDerWaalsContact O-CG 3.3Å; Q449-E453 WeakPolarHBondContact O-CG 3.42Å; Q449-E453 PolarHBondContact O-N 2.92Å
450	R	67.5	Low	61.9	Low	141 Å²	141	97 Å²	97	53%	0.532	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-40.4	174.1	-74	170.7	172	-179.9	-3.8	113	I446 Q447 Q452 E453 D454	I446-R450 WeakPolarHBondContact O-CG 3.27Å; I446-R450 PolarHBondContact O-N 3.46Å; Q447-R450 WeakPolarHBondContact O-CB 3.48Å; Q447-R450 PolarHBondContact O-N 2.89Å; Q447-R450 VanDerWaalsContact O-N 3.16Å; R450-Q452 VanDerWaalsContact C-N 3.34Å; R450-E453 PolarHBondContact O-N 2.92Å; R450-D454 WeakPolarHBondContact O-CB 3.33Å; R450-D454 PolarHBondContact O-N 2.99Å
451	E	69.5	Low	61.2	Low	103 Å²	103	96.1 Å²	96.1	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-68.5	-33	177	-73.9	165.4	-173.5	0	0	111.9	Q447 Q448 Q449 S455	Q447-E451 WeakPolarHBondContact CG-OE1 3.4Å; Q447-E451 PolarHBondContact NE2-OE1 3Å; Q447-E451 WeakPolarHBondContact O-CB 3.45Å; Q447-E451 WeakPolarHBondContact O-CG 3.37Å; Q447-E451 PolarHBondContact O-N 3.14Å; Q448-E451 PolarHBondContact O-N 3.44Å; Q449-E451 PolarHBondContact O-N 2.91Å; E451-S455 WeakPolarHBondContact O-CB 3.02Å; E451-S455 PolarHBondContact O-N 3Å; E451-S455 PolarHBondContact O-OG 3.31Å
452	Q	62	Low	60.3	Low	127 Å²	127	101.2 Å²	101.2	59%	0.593	51%	0.507	S	S	*	.	H	α-helix	trans	-69.8	-41.8	169.2	-73.7	174.6	10.1	0	0	111.7	Q448 Q449 R450 S455 V456	Q448-Q452 WeakPolarHBondContact O-CB 3.46Å; Q448-Q452 VanDerWaalsContact O-CG 3.27Å; Q448-Q452 WeakPolarHBondContact O-CG 3.42Å; Q448-Q452 PolarHBondContact O-N 3.02Å; Q449-Q452 PolarHBondContact O-N 2.69Å; R450-Q452 VanDerWaalsContact C-N 3.34Å; Q452-S455 PolarHBondContact O-N 3.01Å; Q452-S455 PolarHBondContact O-OG 2.95Å; Q452-V456 VanDerWaalsContact O-CB 3.22Å; Q452-V456 WeakPolarHBondContact O-CB 3.34Å; Q452-V456 WeakPolarHBondContact O-CG2 3.45Å; Q452-V456 PolarHBondContact O-N 2.97Å
453	E	58.3	Low	59.4	Low	131 Å²	131	103.5 Å²	103.5	61%	0.612	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-46.7	174.8	-73.6	165.6	-168	0	0	112	Q449 R450 A457	Q449-E453 WeakPolarHBondContact O-CB 3.41Å; Q449-E453 VanDerWaalsContact O-CG 3.3Å; Q449-E453 WeakPolarHBondContact O-CG 3.42Å; Q449-E453 PolarHBondContact O-N 2.92Å; R450-E453 PolarHBondContact O-N 2.92Å; E453-A457 WeakPolarHBondContact O-CB 3.47Å; E453-A457 PolarHBondContact O-N 3.14Å; E453-A457 VanDerWaalsContact O-N 3.13Å
454	D	60.8	Low	58.3	Low	94 Å²	94	102.3 Å²	102.3	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-71.3	-32.2	178.4	-88.7	-42.8	0	0	0	113	R450 R462	R450-D454 WeakPolarHBondContact O-CB 3.33Å; R450-D454 PolarHBondContact O-N 2.99Å; D454-R462 IonicContact OD1-CZ 2.6Å; D454-R462 IonicContact OD1-NH1 3.64Å; D454-R462 IonicContact OD1-NH2 2.62Å; D454-R462 PolarHBondContact OD1-NH2 3.4Å
455	S	61.1	Low	57.1	Low	95 Å²	95	108.3 Å²	108.3	66%	0.664	55%	0.545	S	S	*	.	H	α-helix	trans	-81.8	-27	177.2	59.9	0	0	0	0	114	E451 Q452	E451-S455 WeakPolarHBondContact O-CB 3.02Å; E451-S455 PolarHBondContact O-N 3Å; E451-S455 PolarHBondContact O-OG 3.31Å; Q452-S455 PolarHBondContact O-N 3.01Å; Q452-S455 PolarHBondContact O-OG 2.95Å
456	V	56.8	Low	56.2	Low	115 Å²	115	112.7 Å²	112.7	70%	0.697	57%	0.57	S	S	*	*	H	α-helix	trans	-84.3	-14.4	173.8	175.4	0	0	0	0	112.1	Q452 P458	Q452-V456 VanDerWaalsContact O-CB 3.22Å; Q452-V456 WeakPolarHBondContact O-CB 3.34Å; Q452-V456 WeakPolarHBondContact O-CG2 3.45Å; Q452-V456 PolarHBondContact O-N 2.97Å; V456-P458 WeakPolarHBondContact O-CD 3.31Å
457	A	44.6	Very low	55.2	Low	39 Å²	39	113.7 Å²	113.7	32%	0.322	58%	0.576	S	S	.	*	S	Bend	trans	-89.4	96.8	178	0	0	0	0	0	113.3	E453	E453-A457 WeakPolarHBondContact O-CB 3.47Å; E453-A457 PolarHBondContact O-N 3.14Å; E453-A457 VanDerWaalsContact O-N 3.13Å
458	P	47.3	Very low	54.2	Low	77 Å²	77	115.8 Å²	115.8	50%	0.5	60%	0.597	S	S	.	*			trans	-62.9	140.5	172.5	26.6	-34.6	0	0	0	110.7	V456 N460 V461	V456-P458 WeakPolarHBondContact O-CD 3.31Å; P458-N460 PolarHBondContact O-N 3.04Å; P458-V461 HydrophobicContact CG-CG2 4.02Å; P458-V461 PolarHBondContact O-N 2.89Å
459	P	49.4	Very low	53.5	Low	115 Å²	115	118.5 Å²	118.5	75%	0.747	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-10.3	-164.6	22.3	-34.4	0	0	0	115.7
460	N	47.1	Very low	52.8	Low	118 Å²	118	118 Å²	118	63%	0.631	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-24.8	176	-72.3	-24.4	0	0	0	113.8	P458 R462 R463	P458-N460 PolarHBondContact O-N 3.04Å; N460-R462 VanDerWaalsContact C-N 3.34Å; N460-R462 PolarHBondContact O-N 2.86Å; N460-R463 PolarHBondContact O-N 3.4Å
461	V	50.1	Low	51.7	Low	80 Å²	80	118.8 Å²	118.8	49%	0.485	64%	0.636	S	S	.	*	H	α-helix	trans	-68.2	-33.4	-174.6	177.4	0	0	0	0	112.1	P458 R463 S464	P458-V461 HydrophobicContact CG-CG2 4.02Å; P458-V461 PolarHBondContact O-N 2.89Å; V461-R463 PolarHBondContact O-N 3Å; V461-S464 PolarHBondContact O-N 3.41Å
462	R	44.1	Very low	50.3	Low	173 Å²	173	119 Å²	119	65%	0.653	66%	0.655	S	S	*	*	H	α-helix	trans	-63.7	-10.2	176.6	-69.5	-174.3	176.3	161.2	5.8	114	D454 N460	D454-R462 IonicContact OD1-CZ 2.6Å; D454-R462 IonicContact OD1-NH1 3.64Å; D454-R462 IonicContact OD1-NH2 2.62Å; D454-R462 PolarHBondContact OD1-NH2 3.4Å; N460-R462 VanDerWaalsContact C-N 3.34Å; N460-R462 PolarHBondContact O-N 2.86Å
463	R	46.3	Very low	49.2	Very low	198 Å²	198	116.1 Å²	116.1	75%	0.747	66%	0.66	S	S	*	*	H	α-helix	trans	-92.8	-26.9	171.4	-70.3	-178.5	173.6	165.5	-1.5	113.6	N460 V461 F465 L466	N460-R463 PolarHBondContact O-N 3.4Å; V461-R463 PolarHBondContact O-N 3Å; R463-F465 VanDerWaalsContact C-N 3.29Å; R463-F465 PolarHBondContact O-N 3.09Å; R463-L466 PolarHBondContact O-N 2.86Å
464	S	47.1	Very low	48.2	Very low	82 Å²	82	115 Å²	115	57%	0.573	66%	0.662	S	S	*	*	H	α-helix	trans	-74.4	-15.5	-178.1	-57.6	0	0	0	0	114.1	V461 L466	V461-S464 PolarHBondContact O-N 3.41Å; S464-L466 VanDerWaalsContact C-N 3.28Å; S464-L466 PolarHBondContact O-N 3.46Å
465	F	44	Very low	47.1	Very low	197 Å²	197	119.9 Å²	119.9	86%	0.864	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-6.6	177.4	-167.3	-101.8	0	0	0	113.7	R463	R463-F465 VanDerWaalsContact C-N 3.29Å; R463-F465 PolarHBondContact O-N 3.09Å
466	L	48.5	Very low	46.1	Very low	151 Å²	151	125.5 Å²	125.5	79%	0.791	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	4.3	-176.9	-84.4	158.6	0	0	0	113.8	R463 S464	R463-L466 PolarHBondContact O-N 2.86Å; S464-L466 VanDerWaalsContact C-N 3.28Å; S464-L466 PolarHBondContact O-N 3.46Å
467	D	48.8	Very low	45.1	Very low	88 Å²	88	125.9 Å²	125.9	47%	0.471	70%	0.695	S	S	.	*			trans	-117.6	107.4	-178.6	-172.6	-8.1	0	0	0	111.4	M469	D467-M469 PolarHBondContact O-N 3.36Å; D467-M469 WeakPolarHBondContact OD1-CB 3.48Å; D467-M469 PolarHBondContact OD1-N 3.24Å
468	P	51.3	Low	44.8	Very low	128 Å²	128	133.7 Å²	133.7	83%	0.831	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	2.7	177.7	32.8	-35.5	0	0	0	114.1
469	M	55.4	Low	44.4	Very low	158 Å²	158	136.4 Å²	136.4	78%	0.778	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	6.2	-178.7	-65.6	-96	61.9	0	0	114.2	D467 D471	D467-M469 PolarHBondContact O-N 3.36Å; D467-M469 WeakPolarHBondContact OD1-CB 3.48Å; D467-M469 PolarHBondContact OD1-N 3.24Å; M469-D471 PolarHBondContact O-N 3.12Å
470	A	48.6	Very low	43.9	Very low	68 Å²	68	138.6 Å²	138.6	56%	0.562	74%	0.741	S	S	*	*			trans	-69	113.7	179.8	0	0	0	0	0	112.7	A472	A470-A472 PolarHBondContact O-N 3.03Å
471	D	44.2	Very low	43.3	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	74%	0.738	S	S	*	*			trans	-52.1	118.9	-175	-109.8	-35.8	0	0	0	114.1	M469 G473	M469-D471 PolarHBondContact O-N 3.12Å; D471-G473 PolarHBondContact O-N 3.41Å
472	A	40.2	Very low	42.6	Very low	109 Å²	109	139.8 Å²	139.8	90%	0.901	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	15.9	-175.4	0	0	0	0	0	115.1	A470	A470-A472 PolarHBondContact O-N 3.03Å
473	G	39.2	Very low	42.2	Very low	66 Å²	66	140.2 Å²	140.2	68%	0.68	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-17.8	-159.3	0	0	0	0	0	118.1	D471	D471-G473 PolarHBondContact O-N 3.41Å
474	T	36.9	Very low	41.4	Very low	108 Å²	108	140.6 Å²	140.6	66%	0.663	76%	0.764	S	S	*	*	S	Bend	trans	-146.4	138.5	-159.9	-4.2	0	0	0	0	118.5
475	K	37.7	Very low	40.9	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	78%	0.775	S	S	*	*	S	Bend	trans	89.1	-0.8	153.4	-62.4	177.4	-175.7	174.1	0	122.4
476	Y	39.5	Very low	40.9	Very low	214 Å²	214	141 Å²	141	84%	0.839	76%	0.756	S	S	*	*			trans	-90.5	-4.8	178.5	-73.1	-76	0	0	0	117.1	K478	Y476-K478 PolarHBondContact O-N 3Å
477	S	36.9	Very low	40.7	Very low	123 Å²	123	138.5 Å²	138.5	86%	0.86	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	24.9	-166.1	-156.1	0	0	0	0	116.7
478	K	37.1	Very low	41	Very low	202 Å²	202	138.2 Å²	138.2	88%	0.878	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.8	7.4	-171	-92.5	-167.9	175.1	-175.4	0	118.9	Y476	Y476-K478 PolarHBondContact O-N 3Å
479	V	39.3	Very low	41.2	Very low	135 Å²	135	134.6 Å²	134.6	82%	0.818	72%	0.718	S	S	*	*	S	Bend	trans	-116.2	-22	-179.2	-174.5	0	0	0	0	113.4	D481	V479-D481 PolarHBondContact O-N 2.92Å
480	L	39.6	Very low	41.3	Very low	161 Å²	161	131.5 Å²	131.5	84%	0.843	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	1.2	-167.7	-84.6	161.6	0	0	0	116.6
481	D	35.5	Very low	42.1	Very low	109 Å²	109	128.9 Å²	128.9	58%	0.583	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	6	-163	-129.9	0.6	0	0	0	116.4	V479 R484	V479-D481 PolarHBondContact O-N 2.92Å; D481-R484 IonicContact OD1-CZ 3.66Å; D481-R484 IonicContact OD1-NE 3.16Å; D481-R484 PolarHBondContact OD1-NE 3.25Å; D481-R484 IonicContact OD1-NH2 3.99Å; D481-R484 PolarHBondContact OD1-NH2 2.99Å; D481-R484 IonicContact OD2-NH2 3.41Å
482	S	35.3	Very low	43	Very low	113 Å²	113	123.9 Å²	123.9	79%	0.79	65%	0.648	S	S	*	*	S	Bend	trans	-100.3	-18	-171.6	-59.5	0	0	0	0	115.8
483	E	34.1	Very low	43.8	Very low	182 Å²	182	123.3 Å²	123.3	85%	0.85	62%	0.623	S	S	*	*			trans	-119.7	41.7	-170.9	-62.5	-161.3	132.1	0	0	113.8	K485	E483-K485 PolarHBondContact O-N 3.27Å
484	R	30.2	Very low	44.6	Very low	206 Å²	206	125.8 Å²	125.8	78%	0.777	62%	0.616	S	S	*	*			trans	-75.7	60.2	177.3	-61.9	-170.8	-175.5	-145.5	7.4	113.4	D481	D481-R484 IonicContact OD1-CZ 3.66Å; D481-R484 IonicContact OD1-NE 3.16Å; D481-R484 PolarHBondContact OD1-NE 3.25Å; D481-R484 IonicContact OD1-NH2 3.99Å; D481-R484 PolarHBondContact OD1-NH2 2.99Å; D481-R484 IonicContact OD2-NH2 3.41Å
485	K	37	Very low	45.6	Very low	184 Å²	184	121.3 Å²	121.3	80%	0.8	59%	0.588	S	S	*	*			trans	-114.6	138.2	159.8	-75.1	-178.6	180	173.7	0	109.1	E483	E483-K485 PolarHBondContact O-N 3.27Å
486	H	44.4	Very low	46.4	Very low	104 Å²	104	115.9 Å²	115.9	48%	0.481	57%	0.572	S	S	.	*			trans	-95.3	106.4	-170.3	-126.2	-79.4	0	0	0	109.8	L488 R493 K976	H486-L488 PolarHBondContact O-N 3.21Å; H486-L488 VanDerWaalsContact O-N 3.14Å; H486-R493 PolarHBondContact O-NH2 3.36Å; H486-R493 VanDerWaalsContact O-NH2 3.08Å; H486-K976 PolarHBondContact CE1-NZ 3.06Å; H486-K976 PolarHBondContact NE2-NZ 3.18Å
487	D	43	Very low	46.4	Very low	98 Å²	98	108.7 Å²	108.7	52%	0.524	56%	0.563	S	S	.	*			trans	-89.6	77.5	-176.5	-79.4	50	0	0	0	111	R493	D487-R493 VanDerWaalsContact CG-CZ 3.48Å; D487-R493 IonicContact OD1-CZ 3.67Å; D487-R493 IonicContact OD1-NH1 3.79Å; D487-R493 IonicContact OD1-NH2 2.68Å; D487-R493 PolarHBondContact OD1-NH2 3.14Å; D487-R493 IonicContact OD2-CZ 2.7Å; D487-R493 VanDerWaalsContact OD2-CZ 3.23Å; D487-R493 IonicContact OD2-NH1 2.76Å; D487-R493 PolarHBondContact OD2-NH1 2.85Å; D487-R493 IonicContact OD2-NH2 3.66Å; D487-R493 PolarHBondContact OD2-NH2 3.04Å; D487-R493 VanDerWaalsContact OD2-NH2 3.17Å
488	L	55.1	Low	46.5	Very low	83 Å²	83	104.9 Å²	104.9	44%	0.435	54%	0.543	S	S	.	.			trans	-46.6	138.6	151.4	-82.7	157	0	0	0	109	H486 E490 R493	H486-L488 PolarHBondContact O-N 3.21Å; H486-L488 VanDerWaalsContact O-N 3.14Å; L488-E490 PolarHBondContact O-N 2.7Å; L488-R493 HydrophobicContact CB-CG 3.75Å; L488-R493 WeakPolarHBondContact O-CD 3.46Å
489	P	55.8	Low	46.2	Very low	51 Å²	51	107.2 Å²	107.2	33%	0.331	55%	0.546	S	S	.	.			trans	-46.9	133	173.5	-29.9	35.5	0	0	0	110.6	W491 K492 R493	P489-W491 PolarHBondContact O-N 3.18Å; P489-W491 VanDerWaalsContact O-N 3.12Å; P489-K492 HydrophobicContact CB-CG 4.47Å; P489-K492 WeakPolarHBondContact O-CA 3.43Å; P489-K492 WeakPolarHBondContact O-CB 3.4Å; P489-K492 PolarHBondContact O-N 3.03Å; P489-R493 PolarHBondContact O-N 2.65Å
490	E	57.5	Low	45.9	Very low	93 Å²	93	104.9 Å²	104.9	44%	0.435	54%	0.536	S	S	.	.	H	α-helix	trans	-57.4	-37.5	-163.3	-162.5	-173.8	169.2	0	0	112.9	L488 K492 R493 H494 F746 K750	L488-E490 PolarHBondContact O-N 2.7Å; E490-K492 VanDerWaalsContact C-N 3.32Å; E490-K492 PolarHBondContact O-N 2.87Å; E490-R493 WeakPolarHBondContact O-CB 3.34Å; E490-R493 PolarHBondContact O-N 3.28Å; E490-H494 PolarHBondContact O-N 2.91Å; E490-F746 HydrophobicContact CB-CE1 4Å; E490-F746 HydrophobicContact CB-CZ 4.33Å; E490-F746 HydrophobicContact CG-CE1 4.26Å; E490-F746 HydrophobicContact CG-CZ 4.23Å; E490-K750 IonicContact OE1-NZ 2.7Å; E490-K750 PolarHBondContact OE1-NZ 3.18Å; E490-K750 IonicContact OE2-NZ 2.71Å; E490-K750 PolarHBondContact OE2-NZ 3.46Å
491	W	64.9	Low	45.6	Very low	13 Å²	13	108.5 Å²	108.5	5%	0.049	54%	0.54	C	S	.	.	H	α-helix	trans	-58.9	-38.5	172.7	74.7	-94.3	0	0	0	113	P489 I495 D739 C742 E743 F746 P763	P489-W491 PolarHBondContact O-N 3.18Å; P489-W491 VanDerWaalsContact O-N 3.12Å; W491-I495 HydrophobicContact CE3-CD1 3.5Å; W491-I495 VanDerWaalsContact CE3-CD1 3.5Å; W491-I495 HydrophobicContact CZ3-CD1 3.67Å; W491-I495 WeakPolarHBondContact O-CG1 3.3Å; W491-I495 PolarHBondContact O-N 2.72Å; W491-D739 WeakPolarHBondContact CH2-OD1 3.47Å; W491-C742 HydrophobicContact CD2-CB 4.14Å; W491-C742 HydrophobicContact CE3-CB 3.76Å; W491-C742 HydrophobicContact CH2-CB 3.28Å; W491-C742 HydrophobicContact CZ2-CB 3.69Å; W491-C742 HydrophobicContact CZ3-CB 3.35Å; W491-E743 HydrophobicContact CZ2-CG 4.19Å; W491-F746 HydrophobicContact CB-CB 3.98Å; W491-F746 HydrophobicContact CB-CD1 3.79Å; W491-F746 HydrophobicContact CB-CD2 3.74Å; W491-F746 HydrophobicContact CB-CE1 4.13Å; W491-F746 HydrophobicContact CB-CE2 4.09Å; W491-F746 HydrophobicContact CB-CG 3.57Å; W491-F746 HydrophobicContact CB-CZ 4.26Å; W491-P763 HydrophobicContact CH2-CG 4.45Å; W491-P763 HydrophobicContact CZ3-CG 4.08Å
492	K	63.7	Low	45.6	Very low	53 Å²	53	106.8 Å²	106.8	23%	0.23	55%	0.548	C	S	.	.	H	α-helix	trans	-72.6	-26.2	175	-60.4	-163.8	176.8	-167.9	0	112.6	P489 E490 I495 T496 D739	P489-K492 HydrophobicContact CB-CG 4.47Å; P489-K492 WeakPolarHBondContact O-CA 3.43Å; P489-K492 WeakPolarHBondContact O-CB 3.4Å; P489-K492 PolarHBondContact O-N 3.03Å; E490-K492 VanDerWaalsContact C-N 3.32Å; E490-K492 PolarHBondContact O-N 2.87Å; K492-I495 PolarHBondContact O-N 3.03Å; K492-T496 WeakPolarHBondContact O-CB 3.33Å; K492-T496 PolarHBondContact O-N 3.16Å; K492-T496 VanDerWaalsContact O-N 3.09Å; K492-T496 PolarHBondContact O-OG1 3.11Å; K492-D739 WeakPolarHBondContact CE-OD1 3.29Å; K492-D739 IonicContact NZ-OD1 3.69Å; K492-D739 PolarHBondContact NZ-OD1 2.91Å; K492-D739 IonicContact NZ-OD2 3.9Å
493	R	57.1	Low	45.6	Very low	96 Å²	96	110 Å²	110	36%	0.362	55%	0.548	S	S	.	.	H	α-helix	trans	-64.5	-47	173.2	-70.6	172.3	143.2	169.5	-0.2	111.2	H486 D487 L488 P489 E490 I495 T496 G497	H486-R493 PolarHBondContact O-NH2 3.36Å; H486-R493 VanDerWaalsContact O-NH2 3.08Å; D487-R493 VanDerWaalsContact CG-CZ 3.48Å; D487-R493 IonicContact OD1-CZ 3.67Å; D487-R493 IonicContact OD1-NH1 3.79Å; D487-R493 IonicContact OD1-NH2 2.68Å; D487-R493 PolarHBondContact OD1-NH2 3.14Å; D487-R493 IonicContact OD2-CZ 2.7Å; D487-R493 VanDerWaalsContact OD2-CZ 3.23Å; D487-R493 IonicContact OD2-NH1 2.76Å; D487-R493 PolarHBondContact OD2-NH1 2.85Å; D487-R493 IonicContact OD2-NH2 3.66Å; D487-R493 PolarHBondContact OD2-NH2 3.04Å; D487-R493 VanDerWaalsContact OD2-NH2 3.17Å; L488-R493 HydrophobicContact CB-CG 3.75Å; L488-R493 WeakPolarHBondContact O-CD 3.46Å; P489-R493 PolarHBondContact O-N 2.65Å; E490-R493 WeakPolarHBondContact O-CB 3.34Å; E490-R493 PolarHBondContact O-N 3.28Å; R493-I495 VanDerWaalsContact C-N 3.26Å; R493-I495 PolarHBondContact O-N 3.48Å; R493-T496 PolarHBondContact O-N 3.26Å; R493-T496 VanDerWaalsContact O-N 3.12Å; R493-G497 PolarHBondContact O-N 3.48Å
494	H	55.3	Low	46	Very low	118 Å²	118	107.3 Å²	107.3	55%	0.546	55%	0.546	S	S	.	.	H	α-helix	trans	-58.5	-35.5	175.1	-81.5	-111.3	0	0	0	112.7	E490	E490-H494 PolarHBondContact O-N 2.91Å
495	I	58.5	Low	46.7	Very low	14 Å²	14	104 Å²	104	7%	0.072	53%	0.533	C	S	.	.	H	α-helix	trans	-75.8	-27.1	178.4	-57.3	166.8	0	0	0	112.4	W491 K492 R493 I761 L762 M772 R775	W491-I495 HydrophobicContact CE3-CD1 3.5Å; W491-I495 VanDerWaalsContact CE3-CD1 3.5Å; W491-I495 HydrophobicContact CZ3-CD1 3.67Å; W491-I495 WeakPolarHBondContact O-CG1 3.3Å; W491-I495 PolarHBondContact O-N 2.72Å; K492-I495 PolarHBondContact O-N 3.03Å; R493-I495 VanDerWaalsContact C-N 3.26Å; R493-I495 PolarHBondContact O-N 3.48Å; I495-I761 VanDerWaalsContact CD1-O 3.26Å; I495-I761 WeakPolarHBondContact CD1-O 3.11Å; I495-I761 WeakPolarHBondContact CG1-O 3.41Å; I495-L762 HydrophobicContact CG2-CD2 4.16Å; I495-M772 HydrophobicContact CB-CE 4.21Å; I495-M772 HydrophobicContact CG2-CE 3.59Å; I495-M772 HydrophobicContact CG2-SD 3.86Å; I495-R775 PolarHBondContact O-NH1 2.88Å
496	T	54.2	Low	47.2	Very low	81 Å²	81	98.8 Å²	98.8	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-83.6	-18.6	-175.2	-51.9	0	0	0	0	113.6	K492 R493 G498	K492-T496 WeakPolarHBondContact O-CB 3.33Å; K492-T496 PolarHBondContact O-N 3.16Å; K492-T496 VanDerWaalsContact O-N 3.09Å; K492-T496 PolarHBondContact O-OG1 3.11Å; R493-T496 PolarHBondContact O-N 3.26Å; R493-T496 VanDerWaalsContact O-N 3.12Å; T496-G498 PolarHBondContact O-N 3.06Å; T496-G498 VanDerWaalsContact O-N 3.16Å
497	G	39.3	Very low	47.4	Very low	64 Å²	64	103.6 Å²	103.6	66%	0.66	54%	0.542	S	S	*	.			trans	-84.1	75.5	-177.4	0	0	0	0	0	115	R493	R493-G497 PolarHBondContact O-N 3.48Å
498	G	39.5	Very low	48.1	Very low	42 Å²	42	104.4 Å²	104.4	43%	0.433	54%	0.544	S	S	.	.			trans	-171.2	119.6	173.1	0	0	0	0	0	115	T496	T496-G498 PolarHBondContact O-N 3.06Å; T496-G498 VanDerWaalsContact O-N 3.16Å
499	R	31.8	Very low	48.9	Very low	252 Å²	252	103.1 Å²	103.1	95%	0.951	54%	0.542	S	S	*	.			trans	-125.8	81.9	170.2	-79.2	-171.3	174.3	-178.3	-0.6	110.9
500	S	32.2	Very low	49.8	Very low	86 Å²	86	104.4 Å²	104.4	60%	0.601	55%	0.546	S	S	*	.			trans	-137.1	102.2	170.4	53.9	0	0	0	0	110.3	G502	S500-G502 PolarHBondContact O-N 3.45Å
501	Y	33.4	Very low	50.7	Low	236 Å²	236	105.2 Å²	105.2	93%	0.925	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-58.7	127.7	169.3	-68.7	-81.4	0	0	0	109.2	K503	Y501-K503 PolarHBondContact O-N 2.72Å
502	G	35.7	Very low	51.4	Low	73 Å²	73	109.3 Å²	109.3	75%	0.753	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-57.1	126.2	-169.8	0	0	0	0	0	112.9	S500	S500-G502 PolarHBondContact O-N 3.45Å
503	K	35.9	Very low	51.9	Low	182 Å²	182	108.6 Å²	108.6	79%	0.791	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-62.3	146.7	167.1	-63.9	-178.2	-178.9	178.3	0	109.2	Y501 R505	Y501-K503 PolarHBondContact O-N 2.72Å; K503-R505 WeakPolarHBondContact O-CG 3.17Å; K503-R505 PolarHBondContact O-N 3.14Å
504	P	40.6	Very low	53	Low	124 Å²	124	106.1 Å²	106.1	81%	0.805	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-55.6	132.4	174.8	22.7	-32.8	0	0	0	110.5	T506	P504-T506 VanDerWaalsContact C-N 3.31Å; P504-T506 PolarHBondContact O-N 3.12Å
505	R	46.5	Very low	54.3	Low	138 Å²	138	104.8 Å²	104.8	52%	0.521	55%	0.554	S	S	.	*	S	Bend	trans	-89.1	15.6	-155.5	-65.8	156	90.3	-134.9	6.3	114.3	K503 F777 D801	K503-R505 WeakPolarHBondContact O-CG 3.17Å; K503-R505 PolarHBondContact O-N 3.14Å; R505-F777 PolarHBondContact NE-O 2.88Å; R505-F777 PolarHBondContact NH2-O 2.89Å; R505-D801 IonicContact CZ-OD2 3.91Å; R505-D801 IonicContact NH1-OD2 2.79Å; R505-D801 PolarHBondContact NH1-OD2 3.16Å; R505-D801 IonicContact NH2-OD2 2.78Å; R505-D801 PolarHBondContact NH2-OD2 3.21Å
506	T	47.8	Very low	55.4	Low	74 Å²	74	106.5 Å²	106.5	45%	0.454	57%	0.567	S	S	.	*			trans	-156.7	145	-173.3	-2.5	0	0	0	0	111.2	P504 M508 Q513	P504-T506 VanDerWaalsContact C-N 3.31Å; P504-T506 PolarHBondContact O-N 3.12Å; T506-M508 VanDerWaalsContact C-N 3.32Å; T506-M508 HydrophobicContact CG2-CB 4.44Å; T506-M508 HydrophobicContact CG2-SD 4.43Å; T506-Q513 PolarHBondContact OG1-NE2 3.08Å
507	M	46.8	Very low	56.7	Low	205 Å²	205	104.1 Å²	104.1	100%	1.01	55%	0.551	S	S	*	*	S	Bend	trans	-78.8	-15.3	170	-68.3	-171.8	-179.3	0	0	113.4
508	M	58.9	Low	58.7	Low	114 Å²	114	101.9 Å²	101.9	56%	0.562	53%	0.525	S	S	*	.	S	Bend	trans	-70.1	139	176.7	-66.5	168.5	177.4	0	0	111.1	T506 E512 Q513	T506-M508 VanDerWaalsContact C-N 3.32Å; T506-M508 HydrophobicContact CG2-CB 4.44Å; T506-M508 HydrophobicContact CG2-SD 4.43Å; M508-E512 HydrophobicContact CB-CB 4.34Å; M508-Q513 HydrophobicContact CB-CG 4.23Å; M508-Q513 PolarHBondContact O-NE2 3.38Å
509	S	71.7	Confident	60.9	Low	57 Å²	57	99.9 Å²	99.9	40%	0.399	50%	0.504	S	S	.	.			trans	-59.9	157.2	172.5	70.3	0	0	0	0	111.9	L511 E512 Q513	S509-L511 PolarHBondContact O-N 2.89Å; S509-E512 WeakPolarHBondContact CA-OE2 3.34Å; S509-E512 WeakPolarHBondContact CB-OE2 3.42Å; S509-E512 PolarHBondContact N-OE2 3.15Å; S509-E512 PolarHBondContact O-N 3.47Å; S509-E512 VanDerWaalsContact OG-CD 3.3Å; S509-E512 VanDerWaalsContact OG-CG 3.31Å; S509-E512 WeakPolarHBondContact OG-CG 3.43Å; S509-E512 PolarHBondContact OG-N 3.39Å; S509-E512 PolarHBondContact OG-OE2 3.39Å; S509-Q513 WeakPolarHBondContact O-CG 3.38Å; S509-Q513 PolarHBondContact O-N 3.28Å
510	I	74.5	Confident	63.5	Low	78 Å²	78	92.5 Å²	92.5	40%	0.4	48%	0.477	S	S	.	.	H	α-helix	trans	-57.7	-35.4	177.5	-64.5	177.1	0	0	0	111.2	Q513 R514 E585	I510-Q513 WeakPolarHBondContact O-CB 3.21Å; I510-Q513 PolarHBondContact O-N 3Å; I510-R514 WeakPolarHBondContact O-CG 3.37Å; I510-R514 PolarHBondContact O-N 2.97Å; I510-E585 HydrophobicContact CG2-CB 4.29Å; I510-E585 HydrophobicContact CG2-CG 3.98Å
511	L	76.9	Confident	66.1	Low	110 Å²	110	97.1 Å²	97.1	58%	0.576	49%	0.487	S	S	*	.	H	α-helix	trans	-70.8	-43.6	-179.8	-166.1	150.6	0	0	0	111.7	S509 Q513 R514 Q515	S509-L511 PolarHBondContact O-N 2.89Å; L511-Q513 VanDerWaalsContact C-N 3.32Å; L511-Q513 PolarHBondContact O-N 2.91Å; L511-R514 PolarHBondContact O-N 3.02Å; L511-Q515 HydrophobicContact CD2-CG 4.02Å; L511-Q515 WeakPolarHBondContact O-CB 3.18Å; L511-Q515 WeakPolarHBondContact O-CG 3.33Å; L511-Q515 PolarHBondContact O-N 3.16Å
512	E	78.9	Confident	68.7	Low	99 Å²	99	87.4 Å²	87.4	46%	0.463	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-39.4	172.2	-69.6	161.1	123.2	0	0	111.6	M508 S509 Q515 S516	M508-E512 HydrophobicContact CB-CB 4.34Å; S509-E512 WeakPolarHBondContact CA-OE2 3.34Å; S509-E512 WeakPolarHBondContact CB-OE2 3.42Å; S509-E512 PolarHBondContact N-OE2 3.15Å; S509-E512 PolarHBondContact O-N 3.47Å; S509-E512 VanDerWaalsContact OG-CD 3.3Å; S509-E512 VanDerWaalsContact OG-CG 3.31Å; S509-E512 WeakPolarHBondContact OG-CG 3.43Å; S509-E512 PolarHBondContact OG-N 3.39Å; S509-E512 PolarHBondContact OG-OE2 3.39Å; E512-Q515 PolarHBondContact O-N 3.42Å; E512-S516 WeakPolarHBondContact O-CB 3.3Å; E512-S516 PolarHBondContact O-N 3.35Å
513	Q	75.2	Confident	71.2	Confident	37 Å²	37	85.7 Å²	85.7	17%	0.173	42%	0.422	C	S	.	.	H	α-helix	trans	-59.5	-49.4	174.2	-69.3	174.4	36.7	0	0	111.3	T506 M508 S509 I510 L511 S516	T506-Q513 PolarHBondContact OG1-NE2 3.08Å; M508-Q513 HydrophobicContact CB-CG 4.23Å; M508-Q513 PolarHBondContact O-NE2 3.38Å; S509-Q513 WeakPolarHBondContact O-CG 3.38Å; S509-Q513 PolarHBondContact O-N 3.28Å; I510-Q513 WeakPolarHBondContact O-CB 3.21Å; I510-Q513 PolarHBondContact O-N 3Å; L511-Q513 VanDerWaalsContact C-N 3.32Å; L511-Q513 PolarHBondContact O-N 2.91Å; Q513-S516 WeakPolarHBondContact O-CB 3.49Å; Q513-S516 PolarHBondContact O-N 2.82Å; Q513-S516 PolarHBondContact O-OG 3.12Å
514	R	80	Confident	73.8	Confident	45 Å²	45	82.5 Å²	82.5	17%	0.17	41%	0.414	C	S	.	.	H	α-helix	trans	-59.9	-47.9	176.6	-73.5	-178.3	68.6	-164.2	-6.8	111.7	I510 L511 S516 L517 Q552 E556 E585	I510-R514 WeakPolarHBondContact O-CG 3.37Å; I510-R514 PolarHBondContact O-N 2.97Å; L511-R514 PolarHBondContact O-N 3.02Å; R514-S516 PolarHBondContact O-N 3.21Å; R514-L517 WeakPolarHBondContact O-CB 3.49Å; R514-L517 PolarHBondContact O-N 2.81Å; R514-L517 VanDerWaalsContact O-N 3.13Å; R514-Q552 VanDerWaalsContact NH1-OE1 3.11Å; R514-E556 IonicContact CZ-OE1 3.97Å; R514-E556 IonicContact NH1-OE1 2.86Å; R514-E556 IonicContact NH2-OE1 2.68Å; R514-E556 PolarHBondContact NH2-OE1 3.34Å; R514-E585 HydrophobicContact CG-CG 4.48Å
515	Q	82.9	Confident	76.2	Confident	89 Å²	89	81.5 Å²	81.5	42%	0.416	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-28.4	177.1	-73.9	-174.4	-25	0	0	113.3	L511 E512 L517 Y520	L511-Q515 HydrophobicContact CD2-CG 4.02Å; L511-Q515 WeakPolarHBondContact O-CB 3.18Å; L511-Q515 WeakPolarHBondContact O-CG 3.33Å; L511-Q515 PolarHBondContact O-N 3.16Å; E512-Q515 PolarHBondContact O-N 3.42Å; Q515-L517 VanDerWaalsContact C-N 3.29Å; Q515-L517 PolarHBondContact O-N 3.48Å; Q515-Y520 HydrophobicContact CB-CD1 4.19Å; Q515-Y520 HydrophobicContact CB-CE1 4.14Å; Q515-Y520 HydrophobicContact CG-CD1 4.33Å; Q515-Y520 HydrophobicContact CG-CE1 3.86Å; Q515-Y520 HydrophobicContact CG-CE2 4.08Å; Q515-Y520 PolarHBondContact NE2-OH 2.93Å; Q515-Y520 WeakPolarHBondContact O-CD1 3.5Å
516	S	81.6	Confident	78.3	Confident	51 Å²	51	75.1 Å²	75.1	36%	0.357	38%	0.375	S	S	.	.	H	α-helix	trans	-70	-23.9	177.4	88.8	0	0	0	0	113.4	E512 Q513 R514 R692	E512-S516 WeakPolarHBondContact O-CB 3.3Å; E512-S516 PolarHBondContact O-N 3.35Å; Q513-S516 WeakPolarHBondContact O-CB 3.49Å; Q513-S516 PolarHBondContact O-N 2.82Å; Q513-S516 PolarHBondContact O-OG 3.12Å; R514-S516 PolarHBondContact O-N 3.21Å; S516-R692 PolarHBondContact O-NH1 3.41Å; S516-R692 PolarHBondContact O-NH2 3.03Å; S516-R692 PolarHBondContact OG-NH1 3.27Å
517	L	80.4	Confident	80.3	Confident	31 Å²	31	72.5 Å²	72.5	16%	0.162	36%	0.358	C	S	.	.	S	Bend	trans	-66.9	141.6	-170.1	-65.8	172	0	0	0	111.5	R514 Q515 I519 Y520 Q549	R514-L517 WeakPolarHBondContact O-CB 3.49Å; R514-L517 PolarHBondContact O-N 2.81Å; R514-L517 VanDerWaalsContact O-N 3.13Å; Q515-L517 VanDerWaalsContact C-N 3.29Å; Q515-L517 PolarHBondContact O-N 3.48Å; L517-I519 HydrophobicContact CB-CG2 4.17Å; L517-I519 PolarHBondContact O-N 2.99Å; L517-I519 VanDerWaalsContact O-N 3.13Å; L517-Y520 WeakPolarHBondContact O-CB 3.36Å; L517-Y520 PolarHBondContact O-N 3.12Å; L517-Q549 HydrophobicContact CD1-CG 3.56Å
518	P	80.5	Confident	82.5	Confident	16 Å²	16	69.3 Å²	69.3	10%	0.104	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-52	-39.1	-178.9	-28	33.9	0	0	0	114.1	Y520 K521 S544 I689 P690 R692	P518-Y520 VanDerWaalsContact C-N 3.26Å; P518-Y520 PolarHBondContact O-N 2.77Å; P518-K521 PolarHBondContact O-N 3.11Å; P518-S544 WeakPolarHBondContact CD-O 3.3Å; P518-I689 HydrophobicContact CB-CG2 4.48Å; P518-P690 WeakPolarHBondContact CB-O 3.29Å; P518-R692 HydrophobicContact CG-CB 3.78Å; P518-R692 HydrophobicContact CG-CG 3.93Å
519	I	86	Confident	84	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.9	-25.9	178.9	-163.1	171.4	0	0	0	114	L517 K521 L522 K523 L526 S544 Q549 I550 Y553 I689	L517-I519 HydrophobicContact CB-CG2 4.17Å; L517-I519 PolarHBondContact O-N 2.99Å; L517-I519 VanDerWaalsContact O-N 3.13Å; I519-K521 VanDerWaalsContact C-N 3.29Å; I519-K521 PolarHBondContact O-N 3.46Å; I519-L522 CarbonylContact O-C 3.55Å; I519-L522 PolarHBondContact O-N 2.97Å; I519-K523 PolarHBondContact O-N 3.05Å; I519-K523 VanDerWaalsContact O-N 3.15Å; I519-L526 HydrophobicContact CD1-CD2 4.1Å; I519-L526 HydrophobicContact CG1-CD2 4.37Å; I519-S544 WeakPolarHBondContact CB-O 3.43Å; I519-S544 WeakPolarHBondContact CG2-O 3.43Å; I519-S544 PolarHBondContact N-O 2.82Å; I519-Q549 HydrophobicContact CD1-CB 4.44Å; I519-Q549 HydrophobicContact CG2-CB 3.71Å; I519-Q549 HydrophobicContact CG2-CG 3.66Å; I519-I550 HydrophobicContact CD1-CD1 4.1Å; I519-I550 HydrophobicContact CD1-CG1 3.49Å; I519-I550 VanDerWaalsContact CD1-CG1 3.49Å; I519-Y553 HydrophobicContact CG1-CE2 4.33Å; I519-Y553 HydrophobicContact CG2-CE2 4.42Å; I519-I689 HydrophobicContact CB-CD1 4.46Å; I519-I689 HydrophobicContact CB-CG2 4.43Å; I519-I689 HydrophobicContact CD1-CD1 3.64Å; I519-I689 HydrophobicContact CG1-CD1 3.83Å
520	Y	86.7	Confident	84.9	Confident	97 Å²	97	62 Å²	62	38%	0.38	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-64.3	-35.4	179.5	-176.3	-101.8	0	0	0	111.9	Q515 L517 P518 L522 K523	Q515-Y520 HydrophobicContact CB-CD1 4.19Å; Q515-Y520 HydrophobicContact CB-CE1 4.14Å; Q515-Y520 HydrophobicContact CG-CD1 4.33Å; Q515-Y520 HydrophobicContact CG-CE1 3.86Å; Q515-Y520 HydrophobicContact CG-CE2 4.08Å; Q515-Y520 PolarHBondContact NE2-OH 2.93Å; Q515-Y520 WeakPolarHBondContact O-CD1 3.5Å; L517-Y520 WeakPolarHBondContact O-CB 3.36Å; L517-Y520 PolarHBondContact O-N 3.12Å; P518-Y520 VanDerWaalsContact C-N 3.26Å; P518-Y520 PolarHBondContact O-N 2.77Å; Y520-L522 PolarHBondContact O-N 2.86Å; Y520-K523 PolarHBondContact O-N 2.85Å
521	K	86.6	Confident	85.6	Confident	184 Å²	184	61.9 Å²	61.9	80%	0.8	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-62.6	-22.5	174.7	-66.3	-172.3	174.7	-172.2	0	113.6	P518 I519	P518-K521 PolarHBondContact O-N 3.11Å; I519-K521 VanDerWaalsContact C-N 3.29Å; I519-K521 PolarHBondContact O-N 3.46Å
522	L	88.5	Confident	86.3	Confident	32 Å²	32	63.2 Å²	63.2	17%	0.168	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-113.2	15.2	-177.8	-59.5	-177.5	0	0	0	112	I519 Y520 D524 E525 L526 F687 P690	I519-L522 CarbonylContact O-C 3.55Å; I519-L522 PolarHBondContact O-N 2.97Å; Y520-L522 PolarHBondContact O-N 2.86Å; L522-D524 PolarHBondContact O-N 3.04Å; L522-E525 PolarHBondContact O-N 3.32Å; L522-L526 VanDerWaalsContact O-CB 3.3Å; L522-L526 WeakPolarHBondContact O-CB 3.28Å; L522-L526 PolarHBondContact O-N 2.87Å; L522-F687 HydrophobicContact CB-CE1 4.38Å; L522-F687 HydrophobicContact CB-CZ 4.11Å; L522-F687 HydrophobicContact CD1-CE1 4.3Å; L522-F687 HydrophobicContact CD1-CZ 4.35Å; L522-P690 HydrophobicContact CD1-CG 4.39Å
523	K	88.2	Confident	86.8	Confident	36 Å²	36	60.9 Å²	60.9	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-53.2	-53.9	-178	177.6	-179.9	172.8	-177.3	0	111	I519 Y520 E525 L526 V527 Y553 E556	I519-K523 PolarHBondContact O-N 3.05Å; I519-K523 VanDerWaalsContact O-N 3.15Å; Y520-K523 PolarHBondContact O-N 2.85Å; K523-E525 VanDerWaalsContact C-N 3.31Å; K523-E525 PolarHBondContact O-N 3.37Å; K523-L526 PolarHBondContact O-N 3.34Å; K523-V527 HydrophobicContact CG-CG2 4.3Å; K523-V527 WeakPolarHBondContact O-CB 3.37Å; K523-V527 WeakPolarHBondContact O-CG2 3.49Å; K523-V527 PolarHBondContact O-N 3.15Å; K523-Y553 HydrophobicContact CB-CD2 4.32Å; K523-Y553 HydrophobicContact CB-CE2 3.99Å; K523-Y553 HydrophobicContact CD-CD1 3.81Å; K523-Y553 HydrophobicContact CD-CD2 4.31Å; K523-Y553 HydrophobicContact CD-CE1 3.9Å; K523-Y553 HydrophobicContact CD-CE2 4.37Å; K523-Y553 HydrophobicContact CD-CG 4.05Å; K523-Y553 HydrophobicContact CG-CD1 4.23Å; K523-Y553 HydrophobicContact CG-CD2 3.8Å; K523-Y553 HydrophobicContact CG-CE1 4.36Å; K523-Y553 HydrophobicContact CG-CE2 3.92Å; K523-Y553 HydrophobicContact CG-CG 3.98Å; K523-E556 IonicContact NZ-OE2 3.33Å; K523-E556 PolarHBondContact NZ-OE2 2.92Å
524	D	90.1	Very high	87.6	Confident	116 Å²	116	62.2 Å²	62.2	62%	0.62	30%	0.296	S	S	*	.	H	α-helix	trans	-70	-30.7	-172	-54.6	-16.5	0	0	0	112.2	L522 R528	L522-D524 PolarHBondContact O-N 3.04Å; D524-R528 VanDerWaalsContact O-CB 3.31Å; D524-R528 WeakPolarHBondContact O-CB 3.34Å; D524-R528 PolarHBondContact O-N 3.12Å
525	E	91.4	Very high	88.2	Confident	102 Å²	102	60.8 Å²	60.8	48%	0.477	29%	0.292	S	S	.	.	H	α-helix	trans	-73.2	-41.1	174	-65	-173.2	177.2	0	0	111.8	L522 K523 R528 A529 F687	L522-E525 PolarHBondContact O-N 3.32Å; K523-E525 VanDerWaalsContact C-N 3.31Å; K523-E525 PolarHBondContact O-N 3.37Å; E525-R528 PolarHBondContact O-N 3.24Å; E525-A529 WeakPolarHBondContact O-CB 3.35Å; E525-A529 PolarHBondContact O-N 2.8Å; E525-F687 HydrophobicContact CB-CE2 4.06Å; E525-F687 HydrophobicContact CB-CZ 4.1Å
526	L	90.9	Very high	88.7	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-46	174.4	178.1	74.9	0	0	0	111.1	I519 L522 K523 R528 A529 V530 L536 V538 I550 Y553 F687	I519-L526 HydrophobicContact CD1-CD2 4.1Å; I519-L526 HydrophobicContact CG1-CD2 4.37Å; L522-L526 VanDerWaalsContact O-CB 3.3Å; L522-L526 WeakPolarHBondContact O-CB 3.28Å; L522-L526 PolarHBondContact O-N 2.87Å; K523-L526 PolarHBondContact O-N 3.34Å; L526-R528 VanDerWaalsContact C-N 3.31Å; L526-R528 PolarHBondContact O-N 2.89Å; L526-A529 PolarHBondContact O-N 3.09Å; L526-V530 WeakPolarHBondContact O-CG2 3.49Å; L526-V530 PolarHBondContact O-N 3.23Å; L526-L536 HydrophobicContact CD1-CD2 4.07Å; L526-V538 HydrophobicContact CD1-CG2 4.14Å; L526-I550 HydrophobicContact CD2-CG1 3.96Å; L526-Y553 HydrophobicContact CD2-CD2 4.31Å; L526-F687 HydrophobicContact CB-CE1 3.99Å; L526-F687 HydrophobicContact CB-CZ 3.89Å; L526-F687 HydrophobicContact CD1-CD1 3.84Å; L526-F687 HydrophobicContact CD1-CE1 3.84Å; L526-F687 HydrophobicContact CD1-CG 4.4Å; L526-F687 HydrophobicContact CD1-CZ 4.4Å
527	V	90.4	Very high	89.3	Confident	19 Å²	19	54.3 Å²	54.3	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-45.2	175.5	163.4	0	0	0	0	110.1	K523 V530 N531 E557	K523-V527 HydrophobicContact CG-CG2 4.3Å; K523-V527 WeakPolarHBondContact O-CB 3.37Å; K523-V527 WeakPolarHBondContact O-CG2 3.49Å; K523-V527 PolarHBondContact O-N 3.15Å; V527-V530 PolarHBondContact O-N 3.5Å; V527-N531 VanDerWaalsContact O-CB 3.28Å; V527-N531 WeakPolarHBondContact O-CB 3.49Å; V527-N531 PolarHBondContact O-N 2.96Å; V527-N531 PolarHBondContact O-ND2 3.32Å; V527-E557 HydrophobicContact CB-CG 4.44Å; V527-E557 VanDerWaalsContact CG1-CD 3.49Å; V527-E557 HydrophobicContact CG1-CG 3.76Å; V527-E557 WeakPolarHBondContact CG1-OE2 3.47Å; V527-E557 HydrophobicContact CG2-CG 3.77Å
528	R	92	Very high	89.8	Confident	138 Å²	138	52.9 Å²	52.9	52%	0.521	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-48.4	174.3	-170.2	-175.5	-51.2	140.8	12.4	112	D524 E525 L526 V530 N531 E532	D524-R528 VanDerWaalsContact O-CB 3.31Å; D524-R528 WeakPolarHBondContact O-CB 3.34Å; D524-R528 PolarHBondContact O-N 3.12Å; E525-R528 PolarHBondContact O-N 3.24Å; L526-R528 VanDerWaalsContact C-N 3.31Å; L526-R528 PolarHBondContact O-N 2.89Å; R528-V530 VanDerWaalsContact C-N 3.34Å; R528-V530 PolarHBondContact O-N 3.26Å; R528-N531 WeakPolarHBondContact O-CB 3.46Å; R528-N531 PolarHBondContact O-N 2.96Å; R528-E532 WeakPolarHBondContact CD-OE1 3.31Å; R528-E532 HydrophobicContact CG-CG 4.34Å; R528-E532 WeakPolarHBondContact CG-OE1 3.5Å; R528-E532 WeakPolarHBondContact O-CB 3.38Å; R528-E532 WeakPolarHBondContact O-CG 3.42Å; R528-E532 PolarHBondContact O-N 2.86Å
529	A	91.2	Very high	90.2	Very high	13 Å²	13	53.1 Å²	53.1	11%	0.107	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-38.8	179.8	0	0	0	0	0	112.7	E525 L526 N533 L536 F687	E525-A529 WeakPolarHBondContact O-CB 3.35Å; E525-A529 PolarHBondContact O-N 2.8Å; L526-A529 PolarHBondContact O-N 3.09Å; A529-N533 WeakPolarHBondContact O-CB 3.35Å; A529-N533 PolarHBondContact O-N 2.92Å; A529-N533 VanDerWaalsContact O-N 3.12Å; A529-N533 PolarHBondContact O-ND2 2.78Å; A529-L536 HydrophobicContact CB-CD1 4.1Å; A529-L536 HydrophobicContact CB-CD2 3.95Å; A529-F687 HydrophobicContact CB-CD2 4.05Å; A529-F687 HydrophobicContact CB-CE2 4.34Å
530	V	90.8	Very high	90.1	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.024	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-34.7	172.4	177.7	0	0	0	0	111.4	L526 V527 R528 L536 L554 K664 I666	L526-V530 WeakPolarHBondContact O-CG2 3.49Å; L526-V530 PolarHBondContact O-N 3.23Å; V527-V530 PolarHBondContact O-N 3.5Å; R528-V530 VanDerWaalsContact C-N 3.34Å; R528-V530 PolarHBondContact O-N 3.26Å; V530-L536 HydrophobicContact CG2-CD2 3.55Å; V530-L554 HydrophobicContact CB-CD2 4.46Å; V530-L554 HydrophobicContact CG1-CD2 3.79Å; V530-K664 HydrophobicContact CG1-CD 4.06Å; V530-K664 WeakPolarHBondContact O-CD 3.49Å; V530-K664 PolarHBondContact O-NZ 3.14Å; V530-I666 HydrophobicContact CG1-CD1 4.41Å; V530-I666 HydrophobicContact CG2-CD1 3.83Å; V530-I666 HydrophobicContact CG2-CG1 4.43Å
531	N	89.3	Confident	89.7	Confident	77 Å²	77	51.9 Å²	51.9	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-43.8	177.2	-75.1	-15.5	0	0	0	111.8	V527 R528 Y559 K664	V527-N531 VanDerWaalsContact O-CB 3.28Å; V527-N531 WeakPolarHBondContact O-CB 3.49Å; V527-N531 PolarHBondContact O-N 2.96Å; V527-N531 PolarHBondContact O-ND2 3.32Å; R528-N531 WeakPolarHBondContact O-CB 3.46Å; R528-N531 PolarHBondContact O-N 2.96Å; N531-Y559 PolarHBondContact OD1-OH 2.92Å; N531-K664 PolarHBondContact O-NZ 3.44Å
532	E	90.5	Very high	89.1	Confident	138 Å²	138	44.3 Å²	44.3	65%	0.645	22%	0.216	S	C	*	.	H	α-helix	trans	-73.6	-34.5	-179.3	-70.8	168.9	179	0	0	114	R528	R528-E532 WeakPolarHBondContact CD-OE1 3.31Å; R528-E532 HydrophobicContact CG-CG 4.34Å; R528-E532 WeakPolarHBondContact CG-OE1 3.5Å; R528-E532 WeakPolarHBondContact O-CB 3.38Å; R528-E532 WeakPolarHBondContact O-CG 3.42Å; R528-E532 PolarHBondContact O-N 2.86Å
533	N	90.1	Very high	88.3	Confident	50 Å²	50	45.2 Å²	45.2	27%	0.267	23%	0.234	S	C	.	.			trans	-112.3	144.1	-170.6	-59.4	-80.4	0	0	0	113	A529 P685	A529-N533 WeakPolarHBondContact O-CB 3.35Å; A529-N533 PolarHBondContact O-N 2.92Å; A529-N533 VanDerWaalsContact O-N 3.12Å; A529-N533 PolarHBondContact O-ND2 2.78Å; N533-P685 HydrophobicContact CB-CG 4.19Å; N533-P685 WeakPolarHBondContact OD1-CG 3.41Å
534	Q	90.8	Very high	87.8	Confident	64 Å²	64	43.6 Å²	43.6	30%	0.299	23%	0.226	S	C	.	.	S	Bend	trans	-81.7	-34.2	174.7	-160.2	-169.9	-3.9	0	0	112.3	V657 R660 L663 K664 L665	Q534-V657 VanDerWaalsContact CD-CG1 3.46Å; Q534-V657 HydrophobicContact CG-CG1 4.03Å; Q534-V657 VanDerWaalsContact NE2-CG1 3.3Å; Q534-V657 PolarHBondContact NE2-O 3.26Å; Q534-R660 PolarHBondContact NE2-O 3Å; Q534-L663 VanDerWaalsContact CG-O 3.27Å; Q534-L663 WeakPolarHBondContact CG-O 3.38Å; Q534-L663 PolarHBondContact NE2-O 2.84Å; Q534-K664 WeakPolarHBondContact O-CA 3.36Å; Q534-L665 PolarHBondContact O-N 3.16Å
535	I	93.4	Very high	87.3	Confident	15 Å²	15	38.4 Å²	38.4	8%	0.077	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.7	171.6	-49.1	173.6	0	0	0	108.3	V657 L665 F681 F682 A684	I535-V657 HydrophobicContact CD1-CG1 4.02Å; I535-V657 HydrophobicContact CG1-CG1 3.83Å; I535-L665 CarbonylContact C-O 3.49Å; I535-L665 VanDerWaalsContact CA-O 3.3Å; I535-L665 WeakPolarHBondContact CA-O 3.3Å; I535-L665 HydrophobicContact CG1-CB 4.41Å; I535-L665 HydrophobicContact CG2-CB 4.4Å; I535-L665 HydrophobicContact CG2-CD2 4.25Å; I535-L665 HydrophobicContact CG2-CG 4.42Å; I535-F681 HydrophobicContact CD1-CB 4.14Å; I535-F681 HydrophobicContact CD1-CD1 4.13Å; I535-F681 HydrophobicContact CG2-CB 4.08Å; I535-F681 HydrophobicContact CG2-CD1 4.48Å; I535-F681 HydrophobicContact CG2-CG 4.26Å; I535-F682 HydrophobicContact CD1-CD2 4.03Å; I535-A684 HydrophobicContact CB-CB 4Å; I535-A684 HydrophobicContact CG2-CB 3.9Å
536	L	93.7	Very high	87	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.5	175.4	-172.2	67.1	0	0	0	110.7	L526 A529 V530 V538 L665 I666 V667 P685 F687	L526-L536 HydrophobicContact CD1-CD2 4.07Å; A529-L536 HydrophobicContact CB-CD1 4.1Å; A529-L536 HydrophobicContact CB-CD2 3.95Å; V530-L536 HydrophobicContact CG2-CD2 3.55Å; L536-V538 HydrophobicContact CD2-CG2 3.9Å; L536-V538 HydrophobicContact CG-CG2 3.99Å; L536-L665 PolarHBondContact N-O 3.46Å; L536-I666 WeakPolarHBondContact O-CA 3.35Å; L536-V667 PolarHBondContact O-N 2.92Å; L536-P685 HydrophobicContact CD1-CB 4.49Å; L536-P685 HydrophobicContact CD1-CG 4Å; L536-F687 HydrophobicContact CD1-CB 4.12Å; L536-F687 HydrophobicContact CD2-CB 4.44Å; L536-F687 HydrophobicContact CG-CB 4.37Å
537	I	93.2	Very high	86.9	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.9	175	-66.5	161.3	0	0	0	108.3	V667 A674 F677 S678 A684 P685 I686 F687	I537-V667 CarbonylContact C-O 3.57Å; I537-V667 WeakPolarHBondContact CA-O 3.46Å; I537-V667 HydrophobicContact CG1-CB 4.29Å; I537-A674 HydrophobicContact CG2-CB 4.25Å; I537-F677 VanDerWaalsContact CD1-C 3.43Å; I537-F677 HydrophobicContact CD1-CB 3.86Å; I537-F677 HydrophobicContact CG1-CB 4.39Å; I537-F677 HydrophobicContact CG2-CB 4.43Å; I537-S678 VanDerWaalsContact CD1-N 3.26Å; I537-A684 HydrophobicContact CD1-CB 3.99Å; I537-A684 HydrophobicContact CG1-CB 4.4Å; I537-P685 PolarHBondContact N-O 2.96Å; I537-I686 HydrophobicContact CB-CG1 4.48Å; I537-I686 HydrophobicContact CG2-CG1 4.48Å; I537-I686 CarbonylContact O-C 3.46Å; I537-I686 WeakPolarHBondContact O-CA 3.42Å; I537-F687 PolarHBondContact O-N 2.88Å
538	V	91.7	Very high	86.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105.2	-176.5	178.9	0	0	0	0	109.6	L526 L536 K546 I550 I666 V667 T668 S669 F687 I689	L526-V538 HydrophobicContact CD1-CG2 4.14Å; L536-V538 HydrophobicContact CD2-CG2 3.9Å; L536-V538 HydrophobicContact CG-CG2 3.99Å; V538-K546 HydrophobicContact CG1-CD 4.36Å; V538-I550 HydrophobicContact CG1-CD1 4.21Å; V538-I666 HydrophobicContact CG2-CG2 3.92Å; V538-V667 PolarHBondContact N-O 2.8Å; V538-T668 HydrophobicContact CB-CG2 3.69Å; V538-T668 HydrophobicContact CG1-CG2 3.96Å; V538-T668 WeakPolarHBondContact O-CA 3.44Å; V538-S669 PolarHBondContact O-N 3.01Å; V538-F687 CarbonylContact C-O 3.54Å; V538-F687 WeakPolarHBondContact CA-O 3.2Å; V538-F687 HydrophobicContact CG2-CB 4.36Å; V538-I689 HydrophobicContact CG1-CD1 3.51Å; V538-I689 HydrophobicContact CG1-CG1 4.15Å
539	I	89.3	Confident	86.7	Confident	22 Å²	22	28.6 Å²	28.6	11%	0.113	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.5	166.8	-47	179.4	0	0	0	108	A674 I686 F687 T688 I689	I539-A674 HydrophobicContact CD1-CB 3.38Å; I539-A674 HydrophobicContact CG1-CB 3.68Å; I539-I686 HydrophobicContact CD1-CG2 3.48Å; I539-I686 VanDerWaalsContact CD1-CG2 3.48Å; I539-I686 HydrophobicContact CG1-CG2 3.75Å; I539-F687 PolarHBondContact N-O 3.21Å; I539-T688 HydrophobicContact CB-CG2 4.47Å; I539-I689 PolarHBondContact O-N 3.14Å
540	G	83.4	Confident	86.7	Confident	2 Å²	2	28 Å²	28	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	145.7	161.5	0	0	0	0	0	111.9	K546 S669	G540-K546 PolarHBondContact O-NZ 2.8Å; G540-S669 PolarHBondContact N-O 3.19Å
541	E	77.1	Confident	86.8	Confident	68 Å²	68	27.9 Å²	27.9	32%	0.318	16%	0.157	S	C	.	.			trans	-59.1	149.9	-179	-55.3	-171.9	135	0	0	111.6	G543 S544 G691 R692 T693	E541-G543 PolarHBondContact O-N 2.7Å; E541-S544 VanDerWaalsContact O-CB 3.26Å; E541-S544 WeakPolarHBondContact O-CB 3.39Å; E541-S544 PolarHBondContact O-N 2.83Å; E541-S544 VanDerWaalsContact O-N 3.11Å; E541-S544 PolarHBondContact O-OG 2.78Å; E541-G691 WeakPolarHBondContact OE2-CA 3.37Å; E541-R692 PolarHBondContact OE2-N 3.47Å; E541-T693 PolarHBondContact OE1-OG1 2.81Å; E541-T693 WeakPolarHBondContact OE2-CB 3.39Å; E541-T693 WeakPolarHBondContact OE2-CG2 3.07Å; E541-T693 PolarHBondContact OE2-N 2.88Å; E541-T693 VanDerWaalsContact OE2-N 3.16Å; E541-T693 PolarHBondContact OE2-OG1 2.94Å
542	T	74.8	Confident	86.9	Confident	26 Å²	26	24.2 Å²	24.2	16%	0.16	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	130.7	174.7	59.7	0	0	0	0	110.2	A670 R845	T542-A670 HydrophobicContact CG2-CB 3.94Å; T542-R845 VanDerWaalsContact CB-NH2 3.28Å; T542-R845 PolarHBondContact OG1-NE 2.67Å; T542-R845 PolarHBondContact OG1-NH2 3.39Å
543	G	71.8	Confident	87	Confident	51 Å²	51	17.8 Å²	17.8	53%	0.526	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-7.4	-173.8	0	0	0	0	0	115	E541 G545	E541-G543 PolarHBondContact O-N 2.7Å; G543-G545 PolarHBondContact O-N 3.39Å
544	S	77.5	Confident	87.1	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.007	10%	0.097	C	C	.	.	S	Bend	trans	-67.5	-11.6	173.6	57.2	0	0	0	0	114.9	P518 I519 E541 K546	P518-S544 WeakPolarHBondContact CD-O 3.3Å; I519-S544 WeakPolarHBondContact CB-O 3.43Å; I519-S544 WeakPolarHBondContact CG2-O 3.43Å; I519-S544 PolarHBondContact N-O 2.82Å; E541-S544 VanDerWaalsContact O-CB 3.26Å; E541-S544 WeakPolarHBondContact O-CB 3.39Å; E541-S544 PolarHBondContact O-N 2.83Å; E541-S544 VanDerWaalsContact O-N 3.11Å; E541-S544 PolarHBondContact O-OG 2.78Å; S544-K546 WeakPolarHBondContact OG-CG 3.34Å
545	G	79.7	Confident	87	Confident	8 Å²	8	13 Å²	13	8%	0.082	8%	0.084	C	C	.	.	S	Bend	trans	102.8	3.4	178.6	0	0	0	0	0	115.7	G543 T547 T548 Q549	G543-G545 PolarHBondContact O-N 3.39Å; G545-T547 PolarHBondContact O-N 3.49Å; G545-T548 PolarHBondContact O-N 2.9Å; G545-T548 PolarHBondContact O-OG1 2.92Å; G545-Q549 WeakPolarHBondContact O-CB 3.45Å; G545-Q549 WeakPolarHBondContact O-CG 3.46Å; G545-Q549 PolarHBondContact O-N 3.36Å
546	K	86	Confident	86.7	Confident	7 Å²	7	16.3 Å²	16.3	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-44.1	-68.2	-176.4	-46.6	-159.6	-53.8	-75.5	0	113.4	V538 G540 S544 T548 Q549 I550 E638 T668 S669 I689	V538-K546 HydrophobicContact CG1-CD 4.36Å; G540-K546 PolarHBondContact O-NZ 2.8Å; S544-K546 WeakPolarHBondContact OG-CG 3.34Å; K546-T548 VanDerWaalsContact C-N 3.3Å; K546-T548 PolarHBondContact O-N 3.38Å; K546-Q549 PolarHBondContact O-N 3.09Å; K546-I550 HydrophobicContact CB-CD1 3.9Å; K546-I550 VanDerWaalsContact O-CB 3.28Å; K546-I550 WeakPolarHBondContact O-CB 3.28Å; K546-I550 WeakPolarHBondContact O-CD1 3.33Å; K546-I550 WeakPolarHBondContact O-CG1 3.47Å; K546-I550 PolarHBondContact O-N 2.85Å; K546-E638 IonicContact NZ-OE1 3.95Å; K546-T668 HydrophobicContact CB-CG2 4.3Å; K546-T668 HydrophobicContact CD-CG2 3.93Å; K546-S669 WeakPolarHBondContact CE-O 3.29Å; K546-S669 PolarHBondContact NZ-O 3.02Å; K546-I689 HydrophobicContact CG-CD1 4.22Å
547	T	87.8	Confident	86.4	Confident	24 Å²	24	20.3 Å²	20.3	15%	0.147	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-26.9	-170.4	-29.2	0	0	0	0	114.1	G545 Q569 V578 Y612 M635 D637	G545-T547 PolarHBondContact O-N 3.49Å; T547-Q569 VanDerWaalsContact CG2-NE2 3.34Å; T547-V578 HydrophobicContact CG2-CG1 3.92Å; T547-V578 HydrophobicContact CG2-CG2 4.38Å; T547-Y612 HydrophobicContact CG2-CE1 4.16Å; T547-Y612 PolarHBondContact O-OH 3.39Å; T547-M635 HydrophobicContact CG2-CE 4.34Å; T547-D637 WeakPolarHBondContact CB-OD2 3.5Å; T547-D637 WeakPolarHBondContact CG2-OD2 3.31Å; T547-D637 PolarHBondContact OG1-OD2 2.73Å
548	T	87.7	Confident	85.9	Confident	26 Å²	26	21.1 Å²	21.1	16%	0.16	13%	0.126	C	C	.	.	H	α-helix	trans	-88	-41.5	179.1	55	0	0	0	0	112.2	G545 K546 T551 Q552 V578 R581 V582	G545-T548 PolarHBondContact O-N 2.9Å; G545-T548 PolarHBondContact O-OG1 2.92Å; K546-T548 VanDerWaalsContact C-N 3.3Å; K546-T548 PolarHBondContact O-N 3.38Å; T548-T551 PolarHBondContact O-OG1 2.83Å; T548-Q552 WeakPolarHBondContact O-CG 3.4Å; T548-Q552 PolarHBondContact O-NE2 2.87Å; T548-V578 HydrophobicContact CG2-CG1 4.24Å; T548-R581 HydrophobicContact CG2-CG 4.42Å; T548-V582 HydrophobicContact CG2-CG2 3.98Å
549	Q	90.3	Very high	85.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-94.2	-33.1	-171.3	-56.6	-48.2	-67.1	0	0	114.5	L517 I519 G545 K546 T551 Q552 Y553 E585	L517-Q549 HydrophobicContact CD1-CG 3.56Å; I519-Q549 HydrophobicContact CD1-CB 4.44Å; I519-Q549 HydrophobicContact CG2-CB 3.71Å; I519-Q549 HydrophobicContact CG2-CG 3.66Å; G545-Q549 WeakPolarHBondContact O-CB 3.45Å; G545-Q549 WeakPolarHBondContact O-CG 3.46Å; G545-Q549 PolarHBondContact O-N 3.36Å; K546-Q549 PolarHBondContact O-N 3.09Å; Q549-T551 VanDerWaalsContact C-N 3.34Å; Q549-T551 PolarHBondContact O-N 3.22Å; Q549-Q552 PolarHBondContact O-N 3.44Å; Q549-Y553 HydrophobicContact CB-CD2 4.36Å; Q549-Y553 HydrophobicContact CB-CE1 4.19Å; Q549-Y553 HydrophobicContact CB-CE2 3.78Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.34Å; Q549-Y553 VanDerWaalsContact O-CG 3.24Å; Q549-Y553 PolarHBondContact O-N 3.06Å; Q549-E585 PolarHBondContact NE2-OE2 3.19Å
550	I	92.5	Very high	85	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-47.9	-177	-64.9	172.7	0	0	0	110.2	I519 L526 V538 K546 Q552 Y553 L554 M635 I666 T668	I519-I550 HydrophobicContact CD1-CD1 4.1Å; I519-I550 HydrophobicContact CD1-CG1 3.49Å; I519-I550 VanDerWaalsContact CD1-CG1 3.49Å; L526-I550 HydrophobicContact CD2-CG1 3.96Å; V538-I550 HydrophobicContact CG1-CD1 4.21Å; K546-I550 HydrophobicContact CB-CD1 3.9Å; K546-I550 VanDerWaalsContact O-CB 3.28Å; K546-I550 WeakPolarHBondContact O-CB 3.28Å; K546-I550 WeakPolarHBondContact O-CD1 3.33Å; K546-I550 WeakPolarHBondContact O-CG1 3.47Å; K546-I550 PolarHBondContact O-N 2.85Å; I550-Q552 PolarHBondContact O-N 3.16Å; I550-Y553 PolarHBondContact O-N 2.68Å; I550-L554 HydrophobicContact CG2-CD1 3.85Å; I550-L554 HydrophobicContact CG2-CG 4.47Å; I550-L554 WeakPolarHBondContact O-CD1 3.49Å; I550-L554 WeakPolarHBondContact O-CG 3.41Å; I550-L554 PolarHBondContact O-N 2.76Å; I550-M635 HydrophobicContact CB-CE 4.49Å; I550-M635 HydrophobicContact CB-SD 3.95Å; I550-M635 HydrophobicContact CD1-CE 4.11Å; I550-M635 HydrophobicContact CD1-SD 4.38Å; I550-M635 HydrophobicContact CG2-SD 3.85Å; I550-I666 HydrophobicContact CG2-CD1 3.96Å; I550-T668 HydrophobicContact CD1-CG2 3.91Å
551	T	92.8	Very high	84.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-41	176.7	52.5	0	0	0	0	112.7	T548 Q549 S555 I565 C567 I610 Y612 M635	T548-T551 PolarHBondContact O-OG1 2.83Å; Q549-T551 VanDerWaalsContact C-N 3.34Å; Q549-T551 PolarHBondContact O-N 3.22Å; T551-S555 WeakPolarHBondContact O-CB 2.86Å; T551-S555 PolarHBondContact O-N 2.9Å; T551-I565 HydrophobicContact CG2-CG2 4.19Å; T551-C567 HydrophobicContact CG2-CB 3.89Å; T551-I610 HydrophobicContact CG2-CG2 4.27Å; T551-Y612 HydrophobicContact CG2-CE1 4.34Å; T551-Y612 PolarHBondContact OG1-OH 2.99Å; T551-M635 HydrophobicContact CG2-SD 4.18Å
552	Q	91.4	Very high	84.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-44.4	176.6	-71.6	-178.2	78.9	0	0	111.6	R514 T548 Q549 I550 L554 S555 E556 V582 E585 Y586	R514-Q552 VanDerWaalsContact NH1-OE1 3.11Å; T548-Q552 WeakPolarHBondContact O-CG 3.4Å; T548-Q552 PolarHBondContact O-NE2 2.87Å; Q549-Q552 PolarHBondContact O-N 3.44Å; I550-Q552 PolarHBondContact O-N 3.16Å; Q552-L554 PolarHBondContact O-N 3.27Å; Q552-S555 WeakPolarHBondContact O-CA 3.28Å; Q552-S555 VanDerWaalsContact O-CB 3.24Å; Q552-S555 WeakPolarHBondContact O-CB 3.3Å; Q552-S555 PolarHBondContact O-N 2.78Å; Q552-S555 VanDerWaalsContact O-N 3.16Å; Q552-E556 VanDerWaalsContact O-CG 3.29Å; Q552-E556 WeakPolarHBondContact O-CG 3.38Å; Q552-E556 PolarHBondContact O-N 2.85Å; Q552-V582 HydrophobicContact CG-CG1 3.88Å; Q552-E585 PolarHBondContact NE2-OE2 2.64Å; Q552-Y586 HydrophobicContact CG-CD2 4.31Å
553	Y	92.1	Very high	85.5	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-40.2	177.3	-59	-22.1	0	0	0	111.9	I519 K523 L526 Q549 I550 S555 E556 E557	I519-Y553 HydrophobicContact CG1-CE2 4.33Å; I519-Y553 HydrophobicContact CG2-CE2 4.42Å; K523-Y553 HydrophobicContact CB-CD2 4.32Å; K523-Y553 HydrophobicContact CB-CE2 3.99Å; K523-Y553 HydrophobicContact CD-CD1 3.81Å; K523-Y553 HydrophobicContact CD-CD2 4.31Å; K523-Y553 HydrophobicContact CD-CE1 3.9Å; K523-Y553 HydrophobicContact CD-CE2 4.37Å; K523-Y553 HydrophobicContact CD-CG 4.05Å; K523-Y553 HydrophobicContact CG-CD1 4.23Å; K523-Y553 HydrophobicContact CG-CD2 3.8Å; K523-Y553 HydrophobicContact CG-CE1 4.36Å; K523-Y553 HydrophobicContact CG-CE2 3.92Å; K523-Y553 HydrophobicContact CG-CG 3.98Å; L526-Y553 HydrophobicContact CD2-CD2 4.31Å; Q549-Y553 HydrophobicContact CB-CD2 4.36Å; Q549-Y553 HydrophobicContact CB-CE1 4.19Å; Q549-Y553 HydrophobicContact CB-CE2 3.78Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.34Å; Q549-Y553 VanDerWaalsContact O-CG 3.24Å; Q549-Y553 PolarHBondContact O-N 3.06Å; I550-Y553 PolarHBondContact O-N 2.68Å; Y553-S555 VanDerWaalsContact C-N 3.27Å; Y553-S555 PolarHBondContact O-N 2.87Å; Y553-E556 PolarHBondContact O-N 3.35Å; Y553-E557 WeakPolarHBondContact O-CG 3.45Å; Y553-E557 PolarHBondContact O-N 3.19Å
554	L	91.7	Very high	86.4	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-32.2	174.3	-65.2	166	0	0	0	112.7	V530 I550 Q552 G558 Y559 I565 V633 I666	V530-L554 HydrophobicContact CB-CD2 4.46Å; V530-L554 HydrophobicContact CG1-CD2 3.79Å; I550-L554 HydrophobicContact CG2-CD1 3.85Å; I550-L554 HydrophobicContact CG2-CG 4.47Å; I550-L554 WeakPolarHBondContact O-CD1 3.49Å; I550-L554 WeakPolarHBondContact O-CG 3.41Å; I550-L554 PolarHBondContact O-N 2.76Å; Q552-L554 PolarHBondContact O-N 3.27Å; L554-G558 PolarHBondContact O-N 3.32Å; L554-Y559 HydrophobicContact CB-CD2 4.49Å; L554-Y559 HydrophobicContact CD2-CD2 4.04Å; L554-Y559 HydrophobicContact CD2-CE2 4.12Å; L554-Y559 WeakPolarHBondContact O-CB 3.5Å; L554-Y559 PolarHBondContact O-N 2.75Å; L554-I565 HydrophobicContact CB-CD1 3.77Å; L554-V633 HydrophobicContact CD1-CB 4.45Å; L554-V633 HydrophobicContact CD1-CG1 3.9Å; L554-I666 HydrophobicContact CD1-CD1 3.79Å
555	S	88.9	Confident	87.2	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.035	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-49.4	171	-159.1	0	0	0	0	110.8	T551 Q552 Y553 E557 G558 I560 Y586	T551-S555 WeakPolarHBondContact O-CB 2.86Å; T551-S555 PolarHBondContact O-N 2.9Å; Q552-S555 WeakPolarHBondContact O-CA 3.28Å; Q552-S555 VanDerWaalsContact O-CB 3.24Å; Q552-S555 WeakPolarHBondContact O-CB 3.3Å; Q552-S555 PolarHBondContact O-N 2.78Å; Q552-S555 VanDerWaalsContact O-N 3.16Å; Y553-S555 VanDerWaalsContact C-N 3.27Å; Y553-S555 PolarHBondContact O-N 2.87Å; S555-E557 VanDerWaalsContact C-N 3.35Å; S555-E557 PolarHBondContact O-N 3.47Å; S555-G558 PolarHBondContact O-N 3.01Å; S555-I560 WeakPolarHBondContact O-CD1 3.21Å; S555-I560 VanDerWaalsContact OG-CD1 3.32Å; S555-I560 WeakPolarHBondContact OG-CD1 3.42Å; S555-Y586 PolarHBondContact OG-OH 3.19Å
556	E	88	Confident	87.9	Confident	85 Å²	85	38.9 Å²	38.9	40%	0.397	18%	0.182	S	C	.	.	H	α-helix	trans	-58.8	-39.9	178.1	-70	163.8	-154.8	0	0	112.4	R514 K523 Q552 Y553 G558	R514-E556 IonicContact CZ-OE1 3.97Å; R514-E556 IonicContact NH1-OE1 2.86Å; R514-E556 IonicContact NH2-OE1 2.68Å; R514-E556 PolarHBondContact NH2-OE1 3.34Å; K523-E556 IonicContact NZ-OE2 3.33Å; K523-E556 PolarHBondContact NZ-OE2 2.92Å; Q552-E556 VanDerWaalsContact O-CG 3.29Å; Q552-E556 WeakPolarHBondContact O-CG 3.38Å; Q552-E556 PolarHBondContact O-N 2.85Å; Y553-E556 PolarHBondContact O-N 3.35Å; E556-G558 PolarHBondContact O-N 2.65Å
557	E	86.3	Confident	88.4	Confident	88 Å²	88	38.5 Å²	38.5	41%	0.411	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-5	174.9	-65	-59.4	126.7	0	0	114	V527 Y553 S555 Y559	V527-E557 HydrophobicContact CB-CG 4.44Å; V527-E557 VanDerWaalsContact CG1-CD 3.49Å; V527-E557 HydrophobicContact CG1-CG 3.76Å; V527-E557 WeakPolarHBondContact CG1-OE2 3.47Å; V527-E557 HydrophobicContact CG2-CG 3.77Å; Y553-E557 WeakPolarHBondContact O-CG 3.45Å; Y553-E557 PolarHBondContact O-N 3.19Å; S555-E557 VanDerWaalsContact C-N 3.35Å; S555-E557 PolarHBondContact O-N 3.47Å; E557-Y559 HydrophobicContact CB-CD2 4.13Å; E557-Y559 HydrophobicContact CB-CE2 4.28Å
558	G	84.4	Confident	88.7	Confident	17 Å²	17	37.4 Å²	37.4	18%	0.175	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	16.7	171.5	0	0	0	0	0	116.3	L554 S555 E556 I560 R561	L554-G558 PolarHBondContact O-N 3.32Å; S555-G558 PolarHBondContact O-N 3.01Å; E556-G558 PolarHBondContact O-N 2.65Å; G558-I560 PolarHBondContact O-N 2.8Å; G558-R561 WeakPolarHBondContact O-CB 3.33Å; G558-R561 WeakPolarHBondContact O-CG 3.35Å; G558-R561 PolarHBondContact O-N 3.35Å
559	Y	81.6	Confident	88.9	Confident	29 Å²	29	36.3 Å²	36.3	11%	0.114	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-57.3	-19.4	172.8	-81.2	-89.6	0	0	0	113.4	N531 L554 E557 R561 F562 S632 V633 K664	N531-Y559 PolarHBondContact OD1-OH 2.92Å; L554-Y559 HydrophobicContact CB-CD2 4.49Å; L554-Y559 HydrophobicContact CD2-CD2 4.04Å; L554-Y559 HydrophobicContact CD2-CE2 4.12Å; L554-Y559 WeakPolarHBondContact O-CB 3.5Å; L554-Y559 PolarHBondContact O-N 2.75Å; E557-Y559 HydrophobicContact CB-CD2 4.13Å; E557-Y559 HydrophobicContact CB-CE2 4.28Å; Y559-R561 PolarHBondContact O-N 3.45Å; Y559-R561 VanDerWaalsContact O-N 3.17Å; Y559-F562 PolarHBondContact O-N 2.98Å; Y559-S632 PolarHBondContact O-OG 2.77Å; Y559-V633 HydrophobicContact CD1-CG2 3.49Å; Y559-V633 VanDerWaalsContact CD1-CG2 3.49Å; Y559-V633 HydrophobicContact CE1-CG2 4.11Å; Y559-V633 HydrophobicContact CG-CG2 3.83Å; Y559-K664 HydrophobicContact CE1-CD 3.92Å; Y559-K664 PolarHBondContact OH-NZ 2.68Å
560	I	79.2	Confident	88.8	Confident	61 Å²	61	37.7 Å²	37.7	31%	0.313	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-43.8	-39.8	167	-44.2	178.6	0	0	0	112.7	S555 G558 F562 G563 V609	S555-I560 WeakPolarHBondContact O-CD1 3.21Å; S555-I560 VanDerWaalsContact OG-CD1 3.32Å; S555-I560 WeakPolarHBondContact OG-CD1 3.42Å; G558-I560 PolarHBondContact O-N 2.8Å; I560-F562 PolarHBondContact O-N 2.69Å; I560-F562 VanDerWaalsContact O-N 3.1Å; I560-G563 CarbonylContact C-O 3.58Å; I560-G563 PolarHBondContact O-N 3.42Å; I560-V609 HydrophobicContact CB-CG1 4.1Å; I560-V609 HydrophobicContact CD1-CG1 3.99Å; I560-V609 HydrophobicContact CG1-CG1 3.65Å; I560-V609 HydrophobicContact CG2-CB 4.36Å; I560-V609 HydrophobicContact CG2-CG1 3.66Å; I560-V609 HydrophobicContact CG2-CG2 3.74Å
561	R	78.6	Confident	88.4	Confident	220 Å²	220	39.7 Å²	39.7	83%	0.83	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-64.8	-17	-173.1	-65.2	179.1	-177.1	179.3	3.7	113.8	G558 Y559	G558-R561 WeakPolarHBondContact O-CB 3.33Å; G558-R561 WeakPolarHBondContact O-CG 3.35Å; G558-R561 PolarHBondContact O-N 3.35Å; Y559-R561 PolarHBondContact O-N 3.45Å; Y559-R561 VanDerWaalsContact O-N 3.17Å
562	F	79	Confident	88	Confident	155 Å²	155	43.5 Å²	43.5	68%	0.68	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-109.3	-8.1	-176.5	-53.7	-70.8	0	0	0	113.5	Y559 I560	Y559-F562 PolarHBondContact O-N 2.98Å; I560-F562 PolarHBondContact O-N 2.69Å; I560-F562 VanDerWaalsContact O-N 3.1Å
563	G	87.5	Confident	87.4	Confident	21 Å²	21	46.9 Å²	46.9	22%	0.216	22%	0.218	C	C	.	.	S	Bend	trans	150.2	-179.2	-172.9	0	0	0	0	0	112.4	I560 S632	I560-G563 CarbonylContact C-O 3.58Å; I560-G563 PolarHBondContact O-N 3.42Å; G563-S632 PolarHBondContact O-OG 2.96Å
564	R	92	Very high	87.1	Confident	65 Å²	65	46.7 Å²	46.7	25%	0.245	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	156.3	179.4	-69.8	172.9	167.3	-172.4	-11.2	111.9	S605 P606 T608 S630 Y631 S632	R564-S605 PolarHBondContact NH2-O 3.3Å; R564-P606 PolarHBondContact NH2-O 3.17Å; R564-T608 VanDerWaalsContact CZ-O 3.27Å; R564-T608 PolarHBondContact NE-O 3.08Å; R564-T608 PolarHBondContact NH2-O 2.99Å; R564-S630 PolarHBondContact N-O 3.33Å; R564-Y631 HydrophobicContact CB-CD1 3.89Å; R564-Y631 HydrophobicContact CB-CE1 3.97Å; R564-Y631 WeakPolarHBondContact O-CA 3.42Å; R564-Y631 WeakPolarHBondContact O-CD1 3.38Å; R564-S632 PolarHBondContact O-N 3.45Å; R564-S632 PolarHBondContact O-OG 2.89Å
565	I	94.6	Very high	86.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	111	170.5	-62.4	163.9	0	0	0	107.4	T551 L554 V609 K611	T551-I565 HydrophobicContact CG2-CG2 4.19Å; L554-I565 HydrophobicContact CB-CD1 3.77Å; I565-V609 PolarHBondContact N-O 3.14Å; I565-K611 PolarHBondContact O-N 3.47Å
566	G	94.6	Very high	86.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126	176.4	0	0	0	0	0	110.7	V633 I634 M635	G566-V633 PolarHBondContact N-O 2.94Å; G566-I634 CarbonylContact O-C 3.6Å; G566-I634 WeakPolarHBondContact O-CA 3.27Å; G566-M635 PolarHBondContact O-N 3.34Å
567	C	95.4	Very high	86.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.1	170.8	-179.5	0	0	0	0	109.6	T551 K611 Y612 M613 M635	T551-C567 HydrophobicContact CG2-CB 3.89Å; C567-K611 PolarHBondContact N-O 3.01Å; C567-Y612 HydrophobicContact CB-CD1 3.68Å; C567-Y612 HydrophobicContact CB-CE1 3.64Å; C567-Y612 CarbonylContact O-C 3.5Å; C567-Y612 WeakPolarHBondContact O-CA 3.25Å; C567-M613 PolarHBondContact O-N 3.19Å; C567-M635 CarbonylContact C-O 3.55Å; C567-M635 WeakPolarHBondContact CA-O 3.27Å; C567-M635 HydrophobicContact CB-CB 4.32Å
568	T	94.9	Very high	86.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	154	178.2	86.9	0	0	0	0	111.4	M613 D615 M618 M635 L636	T568-M613 CarbonylContact C-O 3.56Å; T568-M613 VanDerWaalsContact CA-O 3.25Å; T568-M613 WeakPolarHBondContact CA-O 3.39Å; T568-M613 HydrophobicContact CG2-CG 4.25Å; T568-D615 WeakPolarHBondContact CB-OD1 3.34Å; T568-D615 PolarHBondContact OG1-OD1 3.04Å; T568-M618 HydrophobicContact CG2-CB 3.88Å; T568-M618 HydrophobicContact CG2-CG 3.92Å; T568-M635 PolarHBondContact N-O 3.03Å; T568-L636 HydrophobicContact CG2-CD2 3.67Å
569	Q	91.8	Very high	87	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.5	177.6	-71.6	-68.5	-71.6	0	0	108.9	T547 R571 A575 M613 T614 D615 D637	T547-Q569 VanDerWaalsContact CG2-NE2 3.34Å; Q569-R571 VanDerWaalsContact C-N 3.28Å; Q569-R571 PolarHBondContact O-N 2.81Å; Q569-A575 HydrophobicContact CB-CB 4.09Å; Q569-A575 HydrophobicContact CG-CB 4.32Å; Q569-M613 PolarHBondContact N-O 2.76Å; Q569-T614 VanDerWaalsContact O-CA 3.31Å; Q569-T614 WeakPolarHBondContact O-CA 3.45Å; Q569-D615 PolarHBondContact N-OD1 2.88Å; Q569-D637 PolarHBondContact NE2-OD2 2.76Å
570	P	87.5	Confident	87.4	Confident	29 Å²	29	47.5 Å²	47.5	19%	0.188	22%	0.224	C	C	.	.	S	Bend	trans	-64.4	-32.1	177.3	23.4	-32.7	0	0	0	112.4	E638 E641 T643	P570-E638 HydrophobicContact CG-CB 4.12Å; P570-E641 HydrophobicContact CB-CB 4.48Å; P570-E641 WeakPolarHBondContact CB-OE2 3.25Å; P570-E641 HydrophobicContact CG-CB 4.31Å; P570-E641 HydrophobicContact CG-CG 4.24Å; P570-E641 VanDerWaalsContact CG-OE2 3.26Å; P570-E641 WeakPolarHBondContact CG-OE2 3.38Å; P570-T643 HydrophobicContact CB-CG2 3.82Å
571	R	83.9	Confident	87.7	Confident	44 Å²	44	48.8 Å²	48.8	17%	0.166	22%	0.224	C	C	.	.	S	Bend	trans	-99.2	127.2	178.7	-68.2	-169.8	-171.6	72.5	1.6	113.6	Q569 V573 A574 A575 E641 N792 T796 S797	Q569-R571 VanDerWaalsContact C-N 3.28Å; Q569-R571 PolarHBondContact O-N 2.81Å; R571-V573 VanDerWaalsContact C-N 3.3Å; R571-V573 PolarHBondContact O-N 3.3Å; R571-A574 HydrophobicContact CB-CB 4.08Å; R571-A574 WeakPolarHBondContact O-CB 3.1Å; R571-A574 PolarHBondContact O-N 3.08Å; R571-A574 VanDerWaalsContact O-N 3.07Å; R571-A575 PolarHBondContact O-N 2.85Å; R571-A575 VanDerWaalsContact O-N 3.08Å; R571-E641 IonicContact CZ-OE1 2.66Å; R571-E641 IonicContact CZ-OE2 2.77Å; R571-E641 IonicContact NH1-OE1 2.67Å; R571-E641 PolarHBondContact NH1-OE1 3.39Å; R571-E641 IonicContact NH1-OE2 3.51Å; R571-E641 PolarHBondContact NH1-OE2 3.45Å; R571-E641 IonicContact NH2-OE1 3.5Å; R571-E641 IonicContact NH2-OE2 3.08Å; R571-N792 PolarHBondContact NH2-O 2.92Å; R571-N792 VanDerWaalsContact NH2-O 3.08Å; R571-T796 VanDerWaalsContact CZ-OG1 3.3Å; R571-T796 VanDerWaalsContact NH1-C 3.35Å; R571-T796 PolarHBondContact NH1-O 3.04Å; R571-T796 PolarHBondContact NH1-OG1 2.93Å; R571-T796 PolarHBondContact NH2-OG1 3.22Å; R571-S797 PolarHBondContact NH1-OG 2.68Å
572	R	84.3	Confident	88.3	Confident	80 Å²	80	38.3 Å²	38.3	30%	0.302	19%	0.185	S	C	.	.	H	α-helix	trans	-47	-48.2	168.3	-77.5	-171.9	63.6	153.5	5.2	113.6	A574 A575 M576 I598 R599 E601 T614	R572-A574 VanDerWaalsContact C-N 3.27Å; R572-A574 PolarHBondContact O-N 3.06Å; R572-A575 PolarHBondContact O-N 3.35Å; R572-M576 WeakPolarHBondContact O-CG 3.47Å; R572-M576 PolarHBondContact O-N 2.88Å; R572-I598 HydrophobicContact CB-CD1 4.26Å; R572-I598 HydrophobicContact CG-CB 4.19Å; R572-I598 HydrophobicContact CG-CD1 4.29Å; R572-R599 PolarHBondContact NH1-O 2.84Å; R572-R599 PolarHBondContact NH2-O 3.38Å; R572-E601 IonicContact NH2-OE2 3.33Å; R572-E601 PolarHBondContact NH2-OE2 2.76Å; R572-T614 HydrophobicContact CB-CG2 4.43Å; R572-T614 HydrophobicContact CG-CG2 3.82Å
573	V	80.3	Confident	88.9	Confident	70 Å²	70	31.2 Å²	31.2	42%	0.424	16%	0.155	S	C	.	.	H	α-helix	trans	-64.1	-35.6	-176.5	-179.2	0	0	0	0	111.2	R571 S577 L798	R571-V573 VanDerWaalsContact C-N 3.3Å; R571-V573 PolarHBondContact O-N 3.3Å; V573-S577 WeakPolarHBondContact O-CB 3.15Å; V573-S577 PolarHBondContact O-N 2.86Å; V573-S577 PolarHBondContact O-OG 2.87Å; V573-S577 VanDerWaalsContact O-OG 3.07Å; V573-L798 HydrophobicContact CG1-CD2 4.26Å
574	A	84.3	Confident	88.9	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-70.6	-44	176.4	0	0	0	0	0	111.6	R571 R572 M576 S577 V578	R571-A574 HydrophobicContact CB-CB 4.08Å; R571-A574 WeakPolarHBondContact O-CB 3.1Å; R571-A574 PolarHBondContact O-N 3.08Å; R571-A574 VanDerWaalsContact O-N 3.07Å; R572-A574 VanDerWaalsContact C-N 3.27Å; R572-A574 PolarHBondContact O-N 3.06Å; A574-M576 VanDerWaalsContact C-N 3.31Å; A574-M576 PolarHBondContact O-N 3.34Å; A574-S577 PolarHBondContact O-N 3.04Å; A574-S577 PolarHBondContact O-OG 3.41Å; A574-V578 VanDerWaalsContact O-CB 3.28Å; A574-V578 WeakPolarHBondContact O-CB 3.21Å; A574-V578 VanDerWaalsContact O-CG2 3.26Å; A574-V578 WeakPolarHBondContact O-CG2 3.31Å; A574-V578 PolarHBondContact O-N 2.82Å
575	A	88.4	Confident	88.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-54.7	-46.5	173.3	0	0	0	0	0	111.9	Q569 R571 R572 A579 I598	Q569-A575 HydrophobicContact CB-CB 4.09Å; Q569-A575 HydrophobicContact CG-CB 4.32Å; R571-A575 PolarHBondContact O-N 2.85Å; R571-A575 VanDerWaalsContact O-N 3.08Å; R572-A575 PolarHBondContact O-N 3.35Å; A575-A579 WeakPolarHBondContact O-CB 3.48Å; A575-A579 PolarHBondContact O-N 3.47Å; A575-I598 HydrophobicContact CB-CG2 3.84Å
576	M	86.1	Confident	88.2	Confident	58 Å²	58	36 Å²	36	29%	0.286	17%	0.171	S	C	.	.	H	α-helix	trans	-67.2	-46.9	178.3	-63.4	174.6	89.1	0	0	112.8	R572 A574 K580 Y596 I598 E601	R572-M576 WeakPolarHBondContact O-CG 3.47Å; R572-M576 PolarHBondContact O-N 2.88Å; A574-M576 VanDerWaalsContact C-N 3.31Å; A574-M576 PolarHBondContact O-N 3.34Å; M576-K580 WeakPolarHBondContact O-CB 3.35Å; M576-K580 PolarHBondContact O-N 3.14Å; M576-Y596 HydrophobicContact CE-CE2 4.07Å; M576-Y596 HydrophobicContact CG-CD2 4.02Å; M576-Y596 HydrophobicContact CG-CE2 3.69Å; M576-I598 HydrophobicContact CE-CD1 4.31Å; M576-I598 HydrophobicContact CG-CD1 3.53Å; M576-I598 HydrophobicContact SD-CD1 3.51Å; M576-I598 VanDerWaalsContact SD-CD1 3.51Å; M576-E601 VanDerWaalsContact CE-OE1 3.28Å; M576-E601 WeakPolarHBondContact CE-OE1 3.41Å
577	S	84.1	Confident	87.8	Confident	60 Å²	60	39.3 Å²	39.3	42%	0.42	21%	0.206	S	C	.	.	H	α-helix	trans	-71.4	-38.8	-175	67.3	0	0	0	0	112.2	V573 A574 R581	V573-S577 WeakPolarHBondContact O-CB 3.15Å; V573-S577 PolarHBondContact O-N 2.86Å; V573-S577 PolarHBondContact O-OG 2.87Å; V573-S577 VanDerWaalsContact O-OG 3.07Å; A574-S577 PolarHBondContact O-N 3.04Å; A574-S577 PolarHBondContact O-OG 3.41Å; S577-R581 VanDerWaalsContact O-CB 3.3Å; S577-R581 WeakPolarHBondContact O-CB 3.16Å; S577-R581 PolarHBondContact O-N 2.84Å
578	V	88.2	Confident	87.4	Confident	21 Å²	21	40.1 Å²	40.1	13%	0.127	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-46.8	174.8	178.1	0	0	0	0	110.5	T547 T548 A574 K580 R581 V582 Y612	T547-V578 HydrophobicContact CG2-CG1 3.92Å; T547-V578 HydrophobicContact CG2-CG2 4.38Å; T548-V578 HydrophobicContact CG2-CG1 4.24Å; A574-V578 VanDerWaalsContact O-CB 3.28Å; A574-V578 WeakPolarHBondContact O-CB 3.21Å; A574-V578 VanDerWaalsContact O-CG2 3.26Å; A574-V578 WeakPolarHBondContact O-CG2 3.31Å; A574-V578 PolarHBondContact O-N 2.82Å; V578-K580 VanDerWaalsContact C-N 3.31Å; V578-K580 PolarHBondContact O-N 3.18Å; V578-R581 PolarHBondContact O-N 3.1Å; V578-V582 HydrophobicContact CG1-CG2 4.11Å; V578-V582 WeakPolarHBondContact O-CB 3.46Å; V578-V582 WeakPolarHBondContact O-CG2 3.47Å; V578-V582 PolarHBondContact O-N 3.23Å; V578-Y612 HydrophobicContact CB-CE1 4.45Å; V578-Y612 HydrophobicContact CG1-CD1 4.07Å; V578-Y612 HydrophobicContact CG1-CE1 3.52Å; V578-Y612 HydrophobicContact CG1-CE2 4.39Å
579	A	91.6	Very high	87.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-43.6	176.9	0	0	0	0	0	112	A575 V582 S583 L590 V594 Y596 Y612	A575-A579 WeakPolarHBondContact O-CB 3.48Å; A575-A579 PolarHBondContact O-N 3.47Å; A579-V582 PolarHBondContact O-N 3.07Å; A579-S583 PolarHBondContact O-N 2.87Å; A579-S583 PolarHBondContact O-OG 3.34Å; A579-L590 HydrophobicContact CB-CD1 3.91Å; A579-V594 WeakPolarHBondContact O-CG1 3.43Å; A579-Y596 HydrophobicContact CB-CD1 4.02Å; A579-Y596 HydrophobicContact CB-CG 4.24Å; A579-Y612 HydrophobicContact CB-CD2 3.71Å; A579-Y612 HydrophobicContact CB-CG 4.06Å
580	K	89.5	Confident	87	Confident	110 Å²	110	52.7 Å²	52.7	48%	0.478	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-52.7	173.6	-179.2	176.2	168.2	179.3	0	111.3	M576 V578 V582 S583 E584 L590	M576-K580 WeakPolarHBondContact O-CB 3.35Å; M576-K580 PolarHBondContact O-N 3.14Å; V578-K580 VanDerWaalsContact C-N 3.31Å; V578-K580 PolarHBondContact O-N 3.18Å; K580-V582 VanDerWaalsContact C-N 3.28Å; K580-V582 PolarHBondContact O-N 2.79Å; K580-S583 PolarHBondContact O-N 3.42Å; K580-S583 VanDerWaalsContact O-N 3.14Å; K580-S583 PolarHBondContact O-OG 3.08Å; K580-E584 WeakPolarHBondContact CE-OE1 3.36Å; K580-E584 IonicContact NZ-OE1 3.53Å; K580-E584 WeakPolarHBondContact O-CG 3.23Å; K580-E584 PolarHBondContact O-N 2.92Å; K580-L590 HydrophobicContact CB-CD2 3.99Å; K580-L590 HydrophobicContact CG-CD2 4.42Å
581	R	86.2	Confident	87.1	Confident	87 Å²	87	52.1 Å²	52.1	33%	0.328	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-37.3	180	176.5	59.2	-172.6	-164.1	3.5	112.3	T548 S577 V578 E584 E585	T548-R581 HydrophobicContact CG2-CG 4.42Å; S577-R581 VanDerWaalsContact O-CB 3.3Å; S577-R581 WeakPolarHBondContact O-CB 3.16Å; S577-R581 PolarHBondContact O-N 2.84Å; V578-R581 PolarHBondContact O-N 3.1Å; R581-E584 PolarHBondContact O-N 3.45Å; R581-E585 IonicContact CZ-OE1 3.79Å; R581-E585 IonicContact NE-OE1 3.61Å; R581-E585 PolarHBondContact NE-OE1 2.82Å; R581-E585 IonicContact NH2-OE1 2.78Å; R581-E585 PolarHBondContact NH2-OE1 2.82Å; R581-E585 WeakPolarHBondContact O-CB 3.47Å; R581-E585 WeakPolarHBondContact O-CG 3.49Å; R581-E585 PolarHBondContact O-N 2.71Å
582	V	90.5	Very high	87.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-74.4	-33.4	177	175.5	0	0	0	0	111.7	T548 Q552 V578 A579 K580 E584 E585 Y586 V594 Y612	T548-V582 HydrophobicContact CG2-CG2 3.98Å; Q552-V582 HydrophobicContact CG-CG1 3.88Å; V578-V582 HydrophobicContact CG1-CG2 4.11Å; V578-V582 WeakPolarHBondContact O-CB 3.46Å; V578-V582 WeakPolarHBondContact O-CG2 3.47Å; V578-V582 PolarHBondContact O-N 3.23Å; A579-V582 PolarHBondContact O-N 3.07Å; K580-V582 VanDerWaalsContact C-N 3.28Å; K580-V582 PolarHBondContact O-N 2.79Å; V582-E584 VanDerWaalsContact C-N 3.32Å; V582-E584 PolarHBondContact O-N 3.5Å; V582-E585 PolarHBondContact O-N 3.23Å; V582-Y586 WeakPolarHBondContact O-CB 3.36Å; V582-Y586 PolarHBondContact O-N 2.89Å; V582-V594 HydrophobicContact CB-CG1 4.29Å; V582-V594 HydrophobicContact CG1-CG1 4.16Å; V582-V594 HydrophobicContact CG1-CG2 4.12Å; V582-Y612 HydrophobicContact CB-CE2 4.12Å; V582-Y612 HydrophobicContact CG1-CE2 4.25Å; V582-Y612 HydrophobicContact CG2-CE2 4.29Å
583	S	91	Very high	87.7	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-39.2	169	70.1	0	0	0	0	112.1	A579 K580 G587 C588	A579-S583 PolarHBondContact O-N 2.87Å; A579-S583 PolarHBondContact O-OG 3.34Å; K580-S583 PolarHBondContact O-N 3.42Å; K580-S583 VanDerWaalsContact O-N 3.14Å; K580-S583 PolarHBondContact O-OG 3.08Å; S583-G587 PolarHBondContact O-N 2.94Å; S583-C588 PolarHBondContact O-N 3.34Å; S583-C588 VanDerWaalsContact O-N 3.12Å
584	E	88.2	Confident	88.4	Confident	95 Å²	95	50.4 Å²	50.4	44%	0.444	26%	0.255	S	S	.	.	H	α-helix	trans	-66.6	-36.3	173.2	-68.2	171.2	177.6	0	0	112.6	K580 R581 V582	K580-E584 WeakPolarHBondContact CE-OE1 3.36Å; K580-E584 IonicContact NZ-OE1 3.53Å; K580-E584 WeakPolarHBondContact O-CG 3.23Å; K580-E584 PolarHBondContact O-N 2.92Å; R581-E584 PolarHBondContact O-N 3.45Å; V582-E584 VanDerWaalsContact C-N 3.32Å; V582-E584 PolarHBondContact O-N 3.5Å
585	E	87.1	Confident	88.8	Confident	17 Å²	17	50.4 Å²	50.4	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-76.7	-29.6	177.2	-77.5	-176.1	-170.2	0	0	114.4	I510 R514 Q549 Q552 R581 V582	I510-E585 HydrophobicContact CG2-CB 4.29Å; I510-E585 HydrophobicContact CG2-CG 3.98Å; R514-E585 HydrophobicContact CG-CG 4.48Å; Q549-E585 PolarHBondContact NE2-OE2 3.19Å; Q552-E585 PolarHBondContact NE2-OE2 2.64Å; R581-E585 IonicContact CZ-OE1 3.79Å; R581-E585 IonicContact NE-OE1 3.61Å; R581-E585 PolarHBondContact NE-OE1 2.82Å; R581-E585 IonicContact NH2-OE1 2.78Å; R581-E585 PolarHBondContact NH2-OE1 2.82Å; R581-E585 WeakPolarHBondContact O-CB 3.47Å; R581-E585 WeakPolarHBondContact O-CG 3.49Å; R581-E585 PolarHBondContact O-N 2.71Å; V582-E585 PolarHBondContact O-N 3.23Å
586	Y	85.1	Confident	89.1	Confident	74 Å²	74	51.2 Å²	51.2	29%	0.29	26%	0.258	S	S	.	.	H	α-helix	trans	-86.7	-20.4	177.8	-155	-94.6	0	0	0	112.4	Q552 S555 V582 C588 E593 V594	Q552-Y586 HydrophobicContact CG-CD2 4.31Å; S555-Y586 PolarHBondContact OG-OH 3.19Å; V582-Y586 WeakPolarHBondContact O-CB 3.36Å; V582-Y586 PolarHBondContact O-N 2.89Å; Y586-C588 HydrophobicContact CD1-CB 4.4Å; Y586-E593 HydrophobicContact CE1-CB 4.4Å; Y586-E593 WeakPolarHBondContact CE1-OE2 3.4Å; Y586-V594 HydrophobicContact CG-CG2 4.4Å
587	G	85.2	Confident	89.4	Confident	70 Å²	70	49 Å²	49	72%	0.722	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	11.1	179.8	0	0	0	0	0	115.2	S583	S583-G587 PolarHBondContact O-N 2.94Å
588	C	88	Confident	89.6	Confident	18 Å²	18	46.2 Å²	46.2	12%	0.122	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-100.1	166.8	-179.4	69	0	0	0	0	112.3	S583 Y586 E593	S583-C588 PolarHBondContact O-N 3.34Å; S583-C588 VanDerWaalsContact O-N 3.12Å; Y586-C588 HydrophobicContact CD1-CB 4.4Å; C588-E593 HydrophobicContact CB-CB 4.39Å; C588-E593 VanDerWaalsContact CB-OE2 3.24Å; C588-E593 WeakPolarHBondContact CB-OE2 3.4Å
589	R	89.6	Confident	89.2	Confident	200 Å²	200	49.8 Å²	49.8	76%	0.755	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-84.4	135	170.2	-58.3	179.3	175.7	179.8	0	109.9	G591 Q592	R589-G591 PolarHBondContact O-N 3.27Å; R589-Q592 HydrophobicContact CB-CG 4.25Å; R589-Q592 WeakPolarHBondContact O-CB 3.33Å; R589-Q592 PolarHBondContact O-N 3.07Å
590	L	89.1	Confident	88.2	Confident	66 Å²	66	51.6 Å²	51.6	35%	0.346	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	120.7	174	-168.6	59.4	0	0	0	110.9	A579 K580 Y596	A579-L590 HydrophobicContact CB-CD1 3.91Å; K580-L590 HydrophobicContact CB-CD2 3.99Å; K580-L590 HydrophobicContact CG-CD2 4.42Å; L590-Y596 HydrophobicContact CD1-CD1 3.97Å; L590-Y596 HydrophobicContact CD1-CE1 4.31Å; L590-Y596 HydrophobicContact CD2-CD1 4.25Å; L590-Y596 HydrophobicContact CD2-CE1 3.78Å; L590-Y596 HydrophobicContact CG-CD1 4.18Å; L590-Y596 HydrophobicContact CG-CE1 4.02Å
591	G	88.4	Confident	87.6	Confident	17 Å²	17	49.6 Å²	49.6	18%	0.175	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	105	-14.2	-173	0	0	0	0	0	114.9	R589 V594 C603 S605	R589-G591 PolarHBondContact O-N 3.27Å; G591-V594 PolarHBondContact N-O 3.42Å; G591-C603 WeakPolarHBondContact CA-O 3.48Å; G591-S605 WeakPolarHBondContact O-CB 3.36Å; G591-S605 PolarHBondContact O-N 2.91Å; G591-S605 PolarHBondContact O-OG 2.89Å
592	Q	90.7	Very high	87.7	Confident	79 Å²	79	50.1 Å²	50.1	37%	0.369	25%	0.249	S	C	.	.	S	Bend	trans	-82.7	-122.8	167	-58.6	-169.9	-92.4	0	0	109.4	R589 V594 T608	R589-Q592 HydrophobicContact CB-CG 4.25Å; R589-Q592 WeakPolarHBondContact O-CB 3.33Å; R589-Q592 PolarHBondContact O-N 3.07Å; Q592-V594 VanDerWaalsContact C-N 3.28Å; Q592-V594 PolarHBondContact O-N 3.13Å; Q592-T608 WeakPolarHBondContact O-CA 3.32Å; Q592-T608 WeakPolarHBondContact O-CB 3.34Å; Q592-T608 PolarHBondContact O-N 2.8Å; Q592-T608 PolarHBondContact O-OG1 3.41Å
593	E	91.1	Very high	87.6	Confident	80 Å²	80	52.3 Å²	52.3	37%	0.374	26%	0.264	S	S	.	.	S	Bend	trans	-57.6	-36.4	-178.3	-59.1	171.5	115.4	0	0	113.5	Y586 C588 V609 I610	Y586-E593 HydrophobicContact CE1-CB 4.4Å; Y586-E593 WeakPolarHBondContact CE1-OE2 3.4Å; C588-E593 HydrophobicContact CB-CB 4.39Å; C588-E593 VanDerWaalsContact CB-OE2 3.24Å; C588-E593 WeakPolarHBondContact CB-OE2 3.4Å; E593-V609 PolarHBondContact O-N 3.41Å; E593-I610 PolarHBondContact O-N 3.32Å
594	V	93.9	Very high	87.5	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.7	173.2	-178.2	0	0	0	0	108.9	A579 V582 Y586 G591 Q592 I610 Y612	A579-V594 WeakPolarHBondContact O-CG1 3.43Å; V582-V594 HydrophobicContact CB-CG1 4.29Å; V582-V594 HydrophobicContact CG1-CG1 4.16Å; V582-V594 HydrophobicContact CG1-CG2 4.12Å; Y586-V594 HydrophobicContact CG-CG2 4.4Å; G591-V594 PolarHBondContact N-O 3.42Å; Q592-V594 VanDerWaalsContact C-N 3.28Å; Q592-V594 PolarHBondContact O-N 3.13Å; V594-I610 WeakPolarHBondContact CA-O 3.28Å; V594-I610 HydrophobicContact CG2-CB 4.35Å; V594-I610 HydrophobicContact CG2-CD1 4.39Å; V594-Y612 HydrophobicContact CG1-CD2 4.36Å; V594-Y612 HydrophobicContact CG1-CE2 4.28Å
595	G	93.9	Very high	87.6	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	174.8	-179.1	0	0	0	0	0	112.8	C603 I610 Y612	G595-C603 CarbonylContact C-O 3.5Å; G595-C603 WeakPolarHBondContact CA-O 3.35Å; G595-I610 PolarHBondContact N-O 2.92Å; G595-Y612 PolarHBondContact O-N 3.16Å
596	Y	94	Very high	87.6	Confident	18 Å²	18	56.2 Å²	56.2	7%	0.071	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.8	175	70.4	-83.7	0	0	0	114.3	M576 A579 L590 I598 E601 C603 Y612	M576-Y596 HydrophobicContact CE-CE2 4.07Å; M576-Y596 HydrophobicContact CG-CD2 4.02Å; M576-Y596 HydrophobicContact CG-CE2 3.69Å; A579-Y596 HydrophobicContact CB-CD1 4.02Å; A579-Y596 HydrophobicContact CB-CG 4.24Å; L590-Y596 HydrophobicContact CD1-CD1 3.97Å; L590-Y596 HydrophobicContact CD1-CE1 4.31Å; L590-Y596 HydrophobicContact CD2-CD1 4.25Å; L590-Y596 HydrophobicContact CD2-CE1 3.78Å; L590-Y596 HydrophobicContact CG-CD1 4.18Å; L590-Y596 HydrophobicContact CG-CE1 4.02Å; Y596-I598 HydrophobicContact CD2-CD1 4.17Å; Y596-I598 HydrophobicContact CD2-CG1 4.33Å; Y596-I598 HydrophobicContact CD2-CG2 4.3Å; Y596-I598 HydrophobicContact CE2-CD1 3.95Å; Y596-I598 HydrophobicContact CE2-CG1 4.31Å; Y596-E601 HydrophobicContact CE2-CG 4.13Å; Y596-E601 PolarHBondContact OH-OE1 3.33Å; Y596-C603 HydrophobicContact CD1-CB 3.78Å; Y596-C603 HydrophobicContact CE1-CB 3.41Å; Y596-C603 VanDerWaalsContact CE1-CB 3.41Å; Y596-C603 HydrophobicContact CE2-CB 4.29Å; Y596-C603 HydrophobicContact CG-CB 4.35Å; Y596-C603 PolarHBondContact N-O 2.86Å; Y596-C603 CarbonylContact O-C 3.56Å; Y596-C603 WeakPolarHBondContact O-CA 3.32Å; Y596-C603 PolarHBondContact O-N 3.32Å; Y596-C603 PolarHBondContact OH-SG 3.33Å; Y596-Y612 CarbonylContact C-O 3.57Å; Y596-Y612 WeakPolarHBondContact CA-O 3.46Å; Y596-Y612 WeakPolarHBondContact CB-O 3.42Å
597	T	92.2	Very high	87.8	Confident	10 Å²	10	58.4 Å²	58.4	6%	0.061	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	115	179.1	-51.7	0	0	0	0	110.4	D602 T604 K611 Y612 M613 T614	T597-D602 WeakPolarHBondContact CB-OD1 3.2Å; T597-D602 HydrophobicContact CG2-CB 4.16Å; T597-D602 PolarHBondContact OG1-OD1 2.8Å; T597-T604 WeakPolarHBondContact OG1-CG2 3.35Å; T597-K611 WeakPolarHBondContact OG1-CE 3.28Å; T597-Y612 PolarHBondContact N-O 2.84Å; T597-M613 WeakPolarHBondContact O-CA 3.34Å; T597-M613 VanDerWaalsContact O-CB 3.27Å; T597-M613 WeakPolarHBondContact O-CB 3.14Å; T597-T614 PolarHBondContact O-N 3.23Å
598	I	88.2	Confident	88.1	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	163.2	178.9	65.8	-170.9	0	0	0	110.4	R572 A575 M576 Y596 F600 E601 T614	R572-I598 HydrophobicContact CB-CD1 4.26Å; R572-I598 HydrophobicContact CG-CB 4.19Å; R572-I598 HydrophobicContact CG-CD1 4.29Å; A575-I598 HydrophobicContact CB-CG2 3.84Å; M576-I598 HydrophobicContact CE-CD1 4.31Å; M576-I598 HydrophobicContact CG-CD1 3.53Å; M576-I598 HydrophobicContact SD-CD1 3.51Å; M576-I598 VanDerWaalsContact SD-CD1 3.51Å; Y596-I598 HydrophobicContact CD2-CD1 4.17Å; Y596-I598 HydrophobicContact CD2-CG1 4.33Å; Y596-I598 HydrophobicContact CD2-CG2 4.3Å; Y596-I598 HydrophobicContact CE2-CD1 3.95Å; Y596-I598 HydrophobicContact CE2-CG1 4.31Å; I598-F600 PolarHBondContact O-N 3.22Å; I598-F600 VanDerWaalsContact O-N 3.09Å; I598-E601 HydrophobicContact CD1-CB 4.33Å; I598-E601 HydrophobicContact CG1-CB 3.8Å; I598-E601 HydrophobicContact CG1-CG 4.39Å; I598-E601 WeakPolarHBondContact CG1-O 3.5Å; I598-E601 PolarHBondContact N-O 3.46Å; I598-E601 CarbonylContact O-C 3.54Å; I598-E601 PolarHBondContact O-N 2.88Å; I598-T614 HydrophobicContact CB-CG2 4.33Å; I598-T614 HydrophobicContact CG2-CG2 3.88Å
599	R	79.7	Confident	88.3	Confident	97 Å²	97	55.4 Å²	55.4	37%	0.366	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	120.6	-176.6	-165.1	177.5	175.6	-176.8	-4.4	110.7	R572 M617 P936	R572-R599 PolarHBondContact NH1-O 2.84Å; R572-R599 PolarHBondContact NH2-O 3.38Å; R599-M617 HydrophobicContact CB-CE 4.01Å; R599-M617 HydrophobicContact CB-SD 4.22Å; R599-M617 HydrophobicContact CG-CE 4.11Å; R599-P936 PolarHBondContact NH2-O 2.89Å
600	F	70	Confident	88.6	Confident	38 Å²	38	46 Å²	46	17%	0.167	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	9.5	-175.1	-38.1	-58.2	0	0	0	117.1	I598 I1030 Q1033	I598-F600 PolarHBondContact O-N 3.22Å; I598-F600 VanDerWaalsContact O-N 3.09Å; F600-I1030 HydrophobicContact CD1-CG1 3.66Å; F600-I1030 HydrophobicContact CD2-CD1 4.5Å; F600-I1030 HydrophobicContact CD2-CG1 4.11Å; F600-I1030 HydrophobicContact CE1-CB 4.39Å; F600-I1030 HydrophobicContact CE1-CD1 4.4Å; F600-I1030 HydrophobicContact CE1-CG1 3.56Å; F600-I1030 HydrophobicContact CE1-CG2 4.38Å; F600-I1030 HydrophobicContact CE2-CD1 4.1Å; F600-I1030 HydrophobicContact CE2-CG1 3.99Å; F600-I1030 HydrophobicContact CG-CG1 3.96Å; F600-I1030 HydrophobicContact CZ-CD1 4.04Å; F600-I1030 HydrophobicContact CZ-CG1 3.71Å; F600-Q1033 VanDerWaalsContact CD1-OE1 3.24Å
601	E	78.6	Confident	88.9	Confident	68 Å²	68	43.4 Å²	43.4	32%	0.318	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	112.8	-177.2	-176.2	173.4	-162.9	0	0	110.8	R572 M576 Y596 I598	R572-E601 IonicContact NH2-OE2 3.33Å; R572-E601 PolarHBondContact NH2-OE2 2.76Å; M576-E601 VanDerWaalsContact CE-OE1 3.28Å; M576-E601 WeakPolarHBondContact CE-OE1 3.41Å; Y596-E601 HydrophobicContact CE2-CG 4.13Å; Y596-E601 PolarHBondContact OH-OE1 3.33Å; I598-E601 HydrophobicContact CD1-CB 4.33Å; I598-E601 HydrophobicContact CG1-CB 3.8Å; I598-E601 HydrophobicContact CG1-CG 4.39Å; I598-E601 WeakPolarHBondContact CG1-O 3.5Å; I598-E601 PolarHBondContact N-O 3.46Å; I598-E601 CarbonylContact O-C 3.54Å; I598-E601 PolarHBondContact O-N 2.88Å
602	D	86.6	Confident	89.2	Confident	98 Å²	98	42.6 Å²	42.6	52%	0.524	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.4	-179.8	-166.7	2.3	0	0	0	109.8	T597 T604	T597-D602 WeakPolarHBondContact CB-OD1 3.2Å; T597-D602 HydrophobicContact CG2-CB 4.16Å; T597-D602 PolarHBondContact OG1-OD1 2.8Å; D602-T604 WeakPolarHBondContact OD1-CG2 3.1Å; D602-T604 PolarHBondContact OD1-OG1 2.64Å
603	C	89.3	Confident	89.4	Confident	46 Å²	46	38.8 Å²	38.8	31%	0.311	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	65.6	-179.2	-76.6	0	0	0	0	108.2	G591 G595 Y596	G591-C603 WeakPolarHBondContact CA-O 3.48Å; G595-C603 CarbonylContact C-O 3.5Å; G595-C603 WeakPolarHBondContact CA-O 3.35Å; Y596-C603 HydrophobicContact CD1-CB 3.78Å; Y596-C603 HydrophobicContact CE1-CB 3.41Å; Y596-C603 VanDerWaalsContact CE1-CB 3.41Å; Y596-C603 HydrophobicContact CE2-CB 4.29Å; Y596-C603 HydrophobicContact CG-CB 4.35Å; Y596-C603 PolarHBondContact N-O 2.86Å; Y596-C603 CarbonylContact O-C 3.56Å; Y596-C603 WeakPolarHBondContact O-CA 3.32Å; Y596-C603 PolarHBondContact O-N 3.32Å; Y596-C603 PolarHBondContact OH-SG 3.33Å
604	T	88.9	Confident	89.4	Confident	41 Å²	41	35.7 Å²	35.7	25%	0.252	19%	0.19	S	C	.	.			trans	-134.4	162.7	177	61.3	0	0	0	0	110.8	T597 D602 T608 K611	T597-T604 WeakPolarHBondContact OG1-CG2 3.35Å; D602-T604 WeakPolarHBondContact OD1-CG2 3.1Å; D602-T604 PolarHBondContact OD1-OG1 2.64Å; T604-T608 HydrophobicContact CG2-CG2 4.24Å; T604-K611 HydrophobicContact CG2-CD 4.32Å; T604-K611 HydrophobicContact CG2-CG 4.02Å
605	S	89.5	Confident	89.3	Confident	32 Å²	32	35.8 Å²	35.8	22%	0.224	19%	0.19	C	C	.	.			trans	-137.3	176.4	179.8	64	0	0	0	0	110.3	R564 G591 E607 T608	R564-S605 PolarHBondContact NH2-O 3.3Å; G591-S605 WeakPolarHBondContact O-CB 3.36Å; G591-S605 PolarHBondContact O-N 2.91Å; G591-S605 PolarHBondContact O-OG 2.89Å; S605-E607 PolarHBondContact O-N 2.92Å; S605-E607 PolarHBondContact OG-N 3.23Å; S605-T608 PolarHBondContact N-OG1 2.8Å; S605-T608 PolarHBondContact O-N 3.17Å; S605-T608 PolarHBondContact O-OG1 3.36Å; S605-T608 PolarHBondContact OG-N 2.59Å; S605-T608 PolarHBondContact OG-OG1 3.44Å
606	P	88.1	Confident	89.1	Confident	126 Å²	126	36.7 Å²	36.7	82%	0.818	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.6	167.2	-25.3	36.6	0	0	0	112.4	R564 T608	R564-P606 PolarHBondContact NH2-O 3.17Å; P606-T608 VanDerWaalsContact C-N 3.26Å; P606-T608 PolarHBondContact O-N 3.29Å
607	E	89.7	Confident	88.9	Confident	120 Å²	120	36.8 Å²	36.8	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.8	179.8	-57.9	179.2	165.1	0	0	113.5	S605 V609	S605-E607 PolarHBondContact O-N 2.92Å; S605-E607 PolarHBondContact OG-N 3.23Å; E607-V609 PolarHBondContact O-N 3.11Å
608	T	91.3	Very high	88.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.198	C	C	.	.			trans	-63.9	125.6	-178.8	-55.2	0	0	0	0	112.3	R564 Q592 T604 S605 P606 I610 K611	R564-T608 VanDerWaalsContact CZ-O 3.27Å; R564-T608 PolarHBondContact NE-O 3.08Å; R564-T608 PolarHBondContact NH2-O 2.99Å; Q592-T608 WeakPolarHBondContact O-CA 3.32Å; Q592-T608 WeakPolarHBondContact O-CB 3.34Å; Q592-T608 PolarHBondContact O-N 2.8Å; Q592-T608 PolarHBondContact O-OG1 3.41Å; T604-T608 HydrophobicContact CG2-CG2 4.24Å; S605-T608 PolarHBondContact N-OG1 2.8Å; S605-T608 PolarHBondContact O-N 3.17Å; S605-T608 PolarHBondContact O-OG1 3.36Å; S605-T608 PolarHBondContact OG-N 2.59Å; S605-T608 PolarHBondContact OG-OG1 3.44Å; P606-T608 VanDerWaalsContact C-N 3.26Å; P606-T608 PolarHBondContact O-N 3.29Å; T608-I610 WeakPolarHBondContact CG2-O 3.34Å; T608-K611 HydrophobicContact CG2-CB 4.26Å
609	V	92.7	Very high	89	Confident	24 Å²	24	36.3 Å²	36.3	15%	0.145	20%	0.198	C	C	.	.			trans	-107	-50.1	178.7	169	0	0	0	0	110.5	I560 I565 E593 E607	I560-V609 HydrophobicContact CB-CG1 4.1Å; I560-V609 HydrophobicContact CD1-CG1 3.99Å; I560-V609 HydrophobicContact CG1-CG1 3.65Å; I560-V609 HydrophobicContact CG2-CB 4.36Å; I560-V609 HydrophobicContact CG2-CG1 3.66Å; I560-V609 HydrophobicContact CG2-CG2 3.74Å; I565-V609 PolarHBondContact N-O 3.14Å; E593-V609 PolarHBondContact O-N 3.41Å; E607-V609 PolarHBondContact O-N 3.11Å
610	I	94.4	Very high	89.2	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.1	177.5	-53.9	179.2	0	0	0	107.9	T551 E593 V594 G595 T608 Y612	T551-I610 HydrophobicContact CG2-CG2 4.27Å; E593-I610 PolarHBondContact O-N 3.32Å; V594-I610 WeakPolarHBondContact CA-O 3.28Å; V594-I610 HydrophobicContact CG2-CB 4.35Å; V594-I610 HydrophobicContact CG2-CD1 4.39Å; G595-I610 PolarHBondContact N-O 2.92Å; T608-I610 WeakPolarHBondContact CG2-O 3.34Å; I610-Y612 HydrophobicContact CG2-CD2 4.19Å; I610-Y612 HydrophobicContact CG2-CE2 3.61Å
611	K	94.8	Very high	90.1	Very high	12 Å²	12	34.1 Å²	34.1	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	109.5	-175.8	-172.1	-177.9	169.7	-169.9	0	110.6	I565 C567 T597 T604 T608 M613 E621 Y631	I565-K611 PolarHBondContact O-N 3.47Å; C567-K611 PolarHBondContact N-O 3.01Å; T597-K611 WeakPolarHBondContact OG1-CE 3.28Å; T604-K611 HydrophobicContact CG2-CD 4.32Å; T604-K611 HydrophobicContact CG2-CG 4.02Å; T608-K611 HydrophobicContact CG2-CB 4.26Å; K611-M613 HydrophobicContact CB-CE 4.26Å; K611-M613 HydrophobicContact CD-CE 3.98Å; K611-M613 HydrophobicContact CG-CE 3.99Å; K611-M613 WeakPolarHBondContact O-CE 3.35Å; K611-E621 IonicContact NZ-OE1 3.17Å; K611-E621 PolarHBondContact NZ-OE1 3.05Å; K611-E621 IonicContact NZ-OE2 3.27Å; K611-E621 PolarHBondContact NZ-OE2 2.89Å; K611-Y631 WeakPolarHBondContact CD-OH 3.46Å; K611-Y631 PolarHBondContact NZ-OH 3.43Å; K611-Y631 VanDerWaalsContact NZ-OH 3.09Å
612	Y	95.5	Very high	90.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.1	171.9	-72.1	-82.2	0	0	0	110.3	T547 T551 C567 V578 A579 V582 V594 G595 Y596 T597 I610	T547-Y612 HydrophobicContact CG2-CE1 4.16Å; T547-Y612 PolarHBondContact O-OH 3.39Å; T551-Y612 HydrophobicContact CG2-CE1 4.34Å; T551-Y612 PolarHBondContact OG1-OH 2.99Å; C567-Y612 HydrophobicContact CB-CD1 3.68Å; C567-Y612 HydrophobicContact CB-CE1 3.64Å; C567-Y612 CarbonylContact O-C 3.5Å; C567-Y612 WeakPolarHBondContact O-CA 3.25Å; V578-Y612 HydrophobicContact CB-CE1 4.45Å; V578-Y612 HydrophobicContact CG1-CD1 4.07Å; V578-Y612 HydrophobicContact CG1-CE1 3.52Å; V578-Y612 HydrophobicContact CG1-CE2 4.39Å; A579-Y612 HydrophobicContact CB-CD2 3.71Å; A579-Y612 HydrophobicContact CB-CG 4.06Å; V582-Y612 HydrophobicContact CB-CE2 4.12Å; V582-Y612 HydrophobicContact CG1-CE2 4.25Å; V582-Y612 HydrophobicContact CG2-CE2 4.29Å; V594-Y612 HydrophobicContact CG1-CD2 4.36Å; V594-Y612 HydrophobicContact CG1-CE2 4.28Å; G595-Y612 PolarHBondContact O-N 3.16Å; Y596-Y612 CarbonylContact C-O 3.57Å; Y596-Y612 WeakPolarHBondContact CA-O 3.46Å; Y596-Y612 WeakPolarHBondContact CB-O 3.42Å; T597-Y612 PolarHBondContact N-O 2.84Å; I610-Y612 HydrophobicContact CG2-CD2 4.19Å; I610-Y612 HydrophobicContact CG2-CE2 3.61Å
613	M	94.4	Very high	90.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.5	-177.8	67.6	-165	92.4	0	0	112.9	C567 T568 Q569 T597 K611 M618 Y631	C567-M613 PolarHBondContact O-N 3.19Å; T568-M613 CarbonylContact C-O 3.56Å; T568-M613 VanDerWaalsContact CA-O 3.25Å; T568-M613 WeakPolarHBondContact CA-O 3.39Å; T568-M613 HydrophobicContact CG2-CG 4.25Å; Q569-M613 PolarHBondContact N-O 2.76Å; T597-M613 WeakPolarHBondContact O-CA 3.34Å; T597-M613 VanDerWaalsContact O-CB 3.27Å; T597-M613 WeakPolarHBondContact O-CB 3.14Å; K611-M613 HydrophobicContact CB-CE 4.26Å; K611-M613 HydrophobicContact CD-CE 3.98Å; K611-M613 HydrophobicContact CG-CE 3.99Å; K611-M613 WeakPolarHBondContact O-CE 3.35Å; M613-M618 HydrophobicContact CE-SD 4.1Å; M613-M618 HydrophobicContact CG-CB 4.13Å; M613-M618 HydrophobicContact SD-CB 3.67Å; M613-M618 HydrophobicContact SD-CG 4.17Å; M613-M618 HydrophobicContact SD-SD 3.55Å; M613-Y631 HydrophobicContact CE-CE1 4Å
614	T	92.8	Very high	90.1	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.086	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	143.9	166.2	43.4	0	0	0	0	110.9	Q569 R572 T597 I598 G616 M617 M618	Q569-T614 VanDerWaalsContact O-CA 3.31Å; Q569-T614 WeakPolarHBondContact O-CA 3.45Å; R572-T614 HydrophobicContact CB-CG2 4.43Å; R572-T614 HydrophobicContact CG-CG2 3.82Å; T597-T614 PolarHBondContact O-N 3.23Å; I598-T614 HydrophobicContact CB-CG2 4.33Å; I598-T614 HydrophobicContact CG2-CG2 3.88Å; T614-G616 VanDerWaalsContact C-N 3.26Å; T614-G616 PolarHBondContact O-N 3.44Å; T614-G616 VanDerWaalsContact O-N 3.14Å; T614-M617 WeakPolarHBondContact O-CA 3.15Å; T614-M617 WeakPolarHBondContact O-CB 3.45Å; T614-M617 PolarHBondContact O-N 3.34Å; T614-M617 WeakPolarHBondContact OG1-CG 3.06Å; T614-M618 PolarHBondContact O-N 3.04Å
615	D	91.6	Very high	89.9	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-46.4	-45.5	179.5	-65	15.8	0	0	0	113	T568 Q569 M617 M618 L619 H645 T646 L649	T568-D615 WeakPolarHBondContact CB-OD1 3.34Å; T568-D615 PolarHBondContact OG1-OD1 3.04Å; Q569-D615 PolarHBondContact N-OD1 2.88Å; D615-M617 PolarHBondContact O-N 3.14Å; D615-M618 WeakPolarHBondContact O-CB 3.4Å; D615-M618 PolarHBondContact O-N 2.92Å; D615-M618 VanDerWaalsContact O-N 3.12Å; D615-L619 WeakPolarHBondContact O-CB 3.49Å; D615-L619 PolarHBondContact O-N 2.87Å; D615-H645 HydrophobicContact CB-CB 3.79Å; D615-T646 WeakPolarHBondContact OD2-CB 3.47Å; D615-T646 WeakPolarHBondContact OD2-CG2 3.3Å; D615-T646 PolarHBondContact OD2-OG1 2.9Å; D615-L649 HydrophobicContact CB-CD1 3.88Å
616	G	88.8	Confident	89.6	Confident	18 Å²	18	34.7 Å²	34.7	19%	0.186	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-13.2	177.1	0	0	0	0	0	115.9	T614	T614-G616 VanDerWaalsContact C-N 3.26Å; T614-G616 PolarHBondContact O-N 3.44Å; T614-G616 VanDerWaalsContact O-N 3.14Å
617	M	90.2	Very high	89.4	Confident	21 Å²	21	32 Å²	32	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-88.4	-39.9	168.5	-61.6	-66	85.8	0	0	111.2	R599 T614 D615 L619 R620 E621	R599-M617 HydrophobicContact CB-CE 4.01Å; R599-M617 HydrophobicContact CB-SD 4.22Å; R599-M617 HydrophobicContact CG-CE 4.11Å; T614-M617 WeakPolarHBondContact O-CA 3.15Å; T614-M617 WeakPolarHBondContact O-CB 3.45Å; T614-M617 PolarHBondContact O-N 3.34Å; T614-M617 WeakPolarHBondContact OG1-CG 3.06Å; D615-M617 PolarHBondContact O-N 3.14Å; M617-L619 VanDerWaalsContact C-N 3.28Å; M617-L619 PolarHBondContact O-N 3.23Å; M617-R620 WeakPolarHBondContact O-CA 3.47Å; M617-R620 WeakPolarHBondContact O-CB 3.4Å; M617-R620 PolarHBondContact O-N 3.28Å; M617-E621 PolarHBondContact O-N 2.65Å
618	M	91.7	Very high	89.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-45	170.6	-173.7	63.6	-173.1	0	0	110.7	T568 M613 T614 D615 R620 E621 C622 L628 Y631 I634 L649	T568-M618 HydrophobicContact CG2-CB 3.88Å; T568-M618 HydrophobicContact CG2-CG 3.92Å; M613-M618 HydrophobicContact CE-SD 4.1Å; M613-M618 HydrophobicContact CG-CB 4.13Å; M613-M618 HydrophobicContact SD-CB 3.67Å; M613-M618 HydrophobicContact SD-CG 4.17Å; M613-M618 HydrophobicContact SD-SD 3.55Å; T614-M618 PolarHBondContact O-N 3.04Å; D615-M618 WeakPolarHBondContact O-CB 3.4Å; D615-M618 PolarHBondContact O-N 2.92Å; D615-M618 VanDerWaalsContact O-N 3.12Å; M618-R620 PolarHBondContact O-N 2.96Å; M618-E621 WeakPolarHBondContact O-CA 3.48Å; M618-E621 PolarHBondContact O-N 2.99Å; M618-C622 PolarHBondContact O-N 2.96Å; M618-C622 PolarHBondContact O-SG 3.27Å; M618-L628 HydrophobicContact CE-CD1 3.7Å; M618-L628 HydrophobicContact CE-CD2 3.67Å; M618-L628 HydrophobicContact CE-CG 4.28Å; M618-Y631 HydrophobicContact CE-CD2 4.31Å; M618-Y631 HydrophobicContact CE-CE2 4.43Å; M618-Y631 HydrophobicContact SD-CE2 4.35Å; M618-I634 HydrophobicContact CE-CD1 3.61Å; M618-I634 HydrophobicContact CE-CG1 3.98Å; M618-I634 HydrophobicContact CE-CG2 4.12Å; M618-L649 HydrophobicContact CB-CD1 4.08Å; M618-L649 HydrophobicContact CB-CD2 4.3Å; M618-L649 HydrophobicContact CG-CD1 4.21Å; M618-L649 HydrophobicContact CG-CD2 3.87Å
619	L	90	Very high	89.1	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-32.9	175.2	-173.8	63.7	0	0	0	112.8	D615 M617 C622 L623 H645 V648 L649 L652 M887	D615-L619 WeakPolarHBondContact O-CB 3.49Å; D615-L619 PolarHBondContact O-N 2.87Å; M617-L619 VanDerWaalsContact C-N 3.28Å; M617-L619 PolarHBondContact O-N 3.23Å; L619-C622 WeakPolarHBondContact O-CB 3.37Å; L619-C622 PolarHBondContact O-N 2.76Å; L619-L623 PolarHBondContact O-N 2.64Å; L619-H645 HydrophobicContact CD2-CB 4.38Å; L619-H645 WeakPolarHBondContact CD2-ND1 3.26Å; L619-V648 HydrophobicContact CD1-CB 4.43Å; L619-V648 HydrophobicContact CD1-CG1 3.56Å; L619-V648 HydrophobicContact CD2-CG1 4.45Å; L619-L649 HydrophobicContact CB-CD2 4.32Å; L619-L649 HydrophobicContact CD1-CD2 4.3Å; L619-L652 HydrophobicContact CD1-CD1 3.45Å; L619-L652 VanDerWaalsContact CD1-CD1 3.45Å; L619-M887 HydrophobicContact CD1-CE 3.79Å; L619-M887 HydrophobicContact CG-CE 4.44Å
620	R	85.4	Confident	88.9	Confident	49 Å²	49	29.8 Å²	29.8	19%	0.185	18%	0.175	C	C	.	.	H	α-helix	trans	-76.7	-25.2	175.2	-163.1	177.7	-170	-158.5	1.4	113	M617 M618 L623 E934	M617-R620 WeakPolarHBondContact O-CA 3.47Å; M617-R620 WeakPolarHBondContact O-CB 3.4Å; M617-R620 PolarHBondContact O-N 3.28Å; M618-R620 PolarHBondContact O-N 2.96Å; R620-L623 HydrophobicContact CG-CD1 4.44Å; R620-L623 WeakPolarHBondContact O-CB 3.44Å; R620-L623 PolarHBondContact O-N 2.87Å; R620-E934 PolarHBondContact NH2-O 3.01Å
621	E	88	Confident	88.8	Confident	40 Å²	40	29.8 Å²	29.8	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-75.6	-36.6	169.9	-72.9	172.9	-136.6	0	0	110.6	K611 M617 M618 L623 L624 D625 Y631	K611-E621 IonicContact NZ-OE1 3.17Å; K611-E621 PolarHBondContact NZ-OE1 3.05Å; K611-E621 IonicContact NZ-OE2 3.27Å; K611-E621 PolarHBondContact NZ-OE2 2.89Å; M617-E621 PolarHBondContact O-N 2.65Å; M618-E621 WeakPolarHBondContact O-CA 3.48Å; M618-E621 PolarHBondContact O-N 2.99Å; E621-L623 PolarHBondContact O-N 2.6Å; E621-L624 PolarHBondContact O-N 2.74Å; E621-D625 PolarHBondContact O-N 2.7Å; E621-Y631 PolarHBondContact OE2-OH 2.97Å
622	C	88	Confident	88.7	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-58.4	-30.2	167.3	-55.5	0	0	0	0	113.4	M618 L619 L624 P626 L652 M887	M618-C622 PolarHBondContact O-N 2.96Å; M618-C622 PolarHBondContact O-SG 3.27Å; L619-C622 WeakPolarHBondContact O-CB 3.37Å; L619-C622 PolarHBondContact O-N 2.76Å; C622-L624 VanDerWaalsContact C-N 3.3Å; C622-P626 VanDerWaalsContact O-CA 3.3Å; C622-P626 WeakPolarHBondContact O-CA 3.34Å; C622-L652 HydrophobicContact CB-CD1 4.24Å; C622-M887 HydrophobicContact CB-CE 3.75Å
623	L	82.4	Confident	88.7	Confident	42 Å²	42	29.4 Å²	29.4	22%	0.22	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25	174.8	-76.6	169.4	0	0	0	113.2	L619 R620 E621 Q883 A886 M887	L619-L623 PolarHBondContact O-N 2.64Å; R620-L623 HydrophobicContact CG-CD1 4.44Å; R620-L623 WeakPolarHBondContact O-CB 3.44Å; R620-L623 PolarHBondContact O-N 2.87Å; E621-L623 PolarHBondContact O-N 2.6Å; L623-Q883 HydrophobicContact CD1-CB 4.37Å; L623-Q883 HydrophobicContact CD1-CG 4.03Å; L623-Q883 HydrophobicContact CD2-CB 4.24Å; L623-Q883 WeakPolarHBondContact CD2-O 3.1Å; L623-A886 HydrophobicContact CD2-CB 4.04Å; L623-M887 HydrophobicContact CB-CE 4.43Å; L623-M887 HydrophobicContact CD2-CE 3.62Å; L623-M887 HydrophobicContact CD2-CG 3.64Å; L623-M887 HydrophobicContact CG-CE 3.61Å
624	L	83.4	Confident	88.7	Confident	133 Å²	133	29.5 Å²	29.5	70%	0.696	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-33	-177.5	-63.9	173.1	0	0	0	112.3	E621 C622	E621-L624 PolarHBondContact O-N 2.74Å; C622-L624 VanDerWaalsContact C-N 3.3Å
625	D	85.8	Confident	88.8	Confident	50 Å²	50	28.8 Å²	28.8	27%	0.267	17%	0.17	S	C	.	.			trans	-136.1	80.5	-178.5	179.6	4.9	0	0	0	108.5	E621 D627 L628 G629 S630	E621-D625 PolarHBondContact O-N 2.7Å; D625-D627 PolarHBondContact O-N 3.19Å; D625-D627 VanDerWaalsContact O-N 3.14Å; D625-L628 WeakPolarHBondContact O-CA 3.16Å; D625-L628 PolarHBondContact O-N 2.86Å; D625-L628 PolarHBondContact OD1-N 2.94Å; D625-G629 VanDerWaalsContact CG-N 3.26Å; D625-G629 PolarHBondContact OD1-N 3.25Å; D625-G629 PolarHBondContact OD2-N 3.26Å; D625-S630 PolarHBondContact OD2-N 3.24Å
626	P	83	Confident	88.9	Confident	69 Å²	69	28.7 Å²	28.7	45%	0.448	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16	-175	-23.5	34.6	0	0	0	114.8	C622	C622-P626 VanDerWaalsContact O-CA 3.3Å; C622-P626 WeakPolarHBondContact O-CA 3.34Å
627	D	83.9	Confident	89	Confident	71 Å²	71	27.9 Å²	27.9	38%	0.38	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.6	174.8	-64	-32.5	0	0	0	111.8	D625 G629 K659 R660	D625-D627 PolarHBondContact O-N 3.19Å; D625-D627 VanDerWaalsContact O-N 3.14Å; D627-G629 VanDerWaalsContact C-N 3.29Å; D627-G629 PolarHBondContact O-N 3.49Å; D627-K659 WeakPolarHBondContact OD1-CD 3.44Å; D627-K659 IonicContact OD1-NZ 2.69Å; D627-K659 PolarHBondContact OD1-NZ 2.61Å; D627-R660 WeakPolarHBondContact O-CD 3.28Å; D627-R660 PolarHBondContact O-NH1 3.25Å
628	L	88.2	Confident	88.9	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.016	16%	0.158	C	C	.	.			trans	54.3	39.7	175.8	-64.8	166.4	0	0	0	113.7	M618 D625 S630 Y631 I634 R660	M618-L628 HydrophobicContact CE-CD1 3.7Å; M618-L628 HydrophobicContact CE-CD2 3.67Å; M618-L628 HydrophobicContact CE-CG 4.28Å; D625-L628 WeakPolarHBondContact O-CA 3.16Å; D625-L628 PolarHBondContact O-N 2.86Å; D625-L628 PolarHBondContact OD1-N 2.94Å; L628-S630 PolarHBondContact O-N 2.91Å; L628-Y631 HydrophobicContact CB-CD2 4.47Å; L628-Y631 HydrophobicContact CD2-CD2 4.32Å; L628-Y631 PolarHBondContact O-N 2.99Å; L628-I634 HydrophobicContact CD1-CD1 3.7Å; L628-R660 PolarHBondContact O-NH1 2.77Å
629	G	87	Confident	88.8	Confident	42 Å²	42	27.2 Å²	27.2	43%	0.433	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.3	-175.3	0	0	0	0	0	114.9	D625 D627 Y631	D625-G629 VanDerWaalsContact CG-N 3.26Å; D625-G629 PolarHBondContact OD1-N 3.25Å; D625-G629 PolarHBondContact OD2-N 3.26Å; D627-G629 VanDerWaalsContact C-N 3.29Å; D627-G629 PolarHBondContact O-N 3.49Å; G629-Y631 VanDerWaalsContact C-N 3.33Å; G629-Y631 PolarHBondContact O-N 3.24Å
630	S	88.1	Confident	88.6	Confident	53 Å²	53	27.8 Å²	27.8	37%	0.371	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.6	177.9	55.9	0	0	0	0	115.9	R564 D625 L628	R564-S630 PolarHBondContact N-O 3.33Å; D625-S630 PolarHBondContact OD2-N 3.24Å; L628-S630 PolarHBondContact O-N 2.91Å
631	Y	93	Very high	88.4	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.3	-178.4	-63.9	-79.4	0	0	0	112.9	R564 K611 M613 M618 E621 L628 G629 R660	R564-Y631 HydrophobicContact CB-CD1 3.89Å; R564-Y631 HydrophobicContact CB-CE1 3.97Å; R564-Y631 WeakPolarHBondContact O-CA 3.42Å; R564-Y631 WeakPolarHBondContact O-CD1 3.38Å; K611-Y631 WeakPolarHBondContact CD-OH 3.46Å; K611-Y631 PolarHBondContact NZ-OH 3.43Å; K611-Y631 VanDerWaalsContact NZ-OH 3.09Å; M613-Y631 HydrophobicContact CE-CE1 4Å; M618-Y631 HydrophobicContact CE-CD2 4.31Å; M618-Y631 HydrophobicContact CE-CE2 4.43Å; M618-Y631 HydrophobicContact SD-CE2 4.35Å; E621-Y631 PolarHBondContact OE2-OH 2.97Å; L628-Y631 HydrophobicContact CB-CD2 4.47Å; L628-Y631 HydrophobicContact CD2-CD2 4.32Å; L628-Y631 PolarHBondContact O-N 2.99Å; G629-Y631 VanDerWaalsContact C-N 3.33Å; G629-Y631 PolarHBondContact O-N 3.24Å; Y631-R660 PolarHBondContact O-NH2 3.28Å
632	S	92.4	Very high	88.4	Confident	4 Å²	4	26.8 Å²	26.8	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-39.4	172.2	58.2	0	0	0	0	112.3	Y559 G563 R564 K664	Y559-S632 PolarHBondContact O-OG 2.77Å; G563-S632 PolarHBondContact O-OG 2.96Å; R564-S632 PolarHBondContact O-N 3.45Å; R564-S632 PolarHBondContact O-OG 2.89Å; S632-K664 PolarHBondContact O-N 3.41Å; S632-K664 VanDerWaalsContact O-N 3.14Å
633	V	94.3	Very high	88.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.6	174.8	-167.7	0	0	0	0	110.2	L554 Y559 G566 K664 I666	L554-V633 HydrophobicContact CD1-CB 4.45Å; L554-V633 HydrophobicContact CD1-CG1 3.9Å; Y559-V633 HydrophobicContact CD1-CG2 3.49Å; Y559-V633 VanDerWaalsContact CD1-CG2 3.49Å; Y559-V633 HydrophobicContact CE1-CG2 4.11Å; Y559-V633 HydrophobicContact CG-CG2 3.83Å; G566-V633 PolarHBondContact N-O 2.94Å; V633-K664 WeakPolarHBondContact CA-O 3.3Å; V633-K664 HydrophobicContact CG1-CB 4.23Å; V633-K664 HydrophobicContact CG2-CB 4.37Å; V633-I666 HydrophobicContact CG1-CD1 4.07Å; V633-I666 HydrophobicContact CG1-CG1 4.36Å
634	I	94.7	Very high	88.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.6	175.8	-58.8	165.9	0	0	0	108.4	G566 M618 L628 L636 L663 K664 L665 I666	G566-I634 CarbonylContact O-C 3.6Å; G566-I634 WeakPolarHBondContact O-CA 3.27Å; M618-I634 HydrophobicContact CE-CD1 3.61Å; M618-I634 HydrophobicContact CE-CG1 3.98Å; M618-I634 HydrophobicContact CE-CG2 4.12Å; L628-I634 HydrophobicContact CD1-CD1 3.7Å; I634-L636 HydrophobicContact CG2-CD2 3.98Å; I634-L636 HydrophobicContact CG2-CG 4.37Å; I634-L663 HydrophobicContact CD1-CD1 3.79Å; I634-L663 HydrophobicContact CD1-CD2 4.05Å; I634-L663 HydrophobicContact CD1-CG 4.32Å; I634-L663 HydrophobicContact CG1-CD1 4.08Å; I634-K664 PolarHBondContact N-O 3.39Å; I634-L665 HydrophobicContact CB-CD1 4.3Å; I634-L665 HydrophobicContact CG2-CD1 4.26Å; I634-L665 WeakPolarHBondContact O-CA 3.41Å; I634-I666 PolarHBondContact O-N 3Å
635	M	94.9	Very high	89.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.2	175.6	175.7	174.4	162.5	0	0	109.7	T547 I550 T551 G566 C567 T568 D637 I666 T668	T547-M635 HydrophobicContact CG2-CE 4.34Å; I550-M635 HydrophobicContact CB-CE 4.49Å; I550-M635 HydrophobicContact CB-SD 3.95Å; I550-M635 HydrophobicContact CD1-CE 4.11Å; I550-M635 HydrophobicContact CD1-SD 4.38Å; I550-M635 HydrophobicContact CG2-SD 3.85Å; T551-M635 HydrophobicContact CG2-SD 4.18Å; G566-M635 PolarHBondContact O-N 3.34Å; C567-M635 CarbonylContact C-O 3.55Å; C567-M635 WeakPolarHBondContact CA-O 3.27Å; C567-M635 HydrophobicContact CB-CB 4.32Å; T568-M635 PolarHBondContact N-O 3.03Å; M635-D637 HydrophobicContact CE-CB 3.85Å; M635-D637 HydrophobicContact CG-CB 4.47Å; M635-I666 CarbonylContact C-O 3.57Å; M635-I666 WeakPolarHBondContact CA-O 3.15Å; M635-I666 HydrophobicContact CB-CB 4.38Å; M635-I666 HydrophobicContact CG-CB 4.47Å; M635-I666 HydrophobicContact CG-CG2 4.35Å; M635-T668 HydrophobicContact CE-CG2 3.91Å; M635-T668 WeakPolarHBondContact CE-OG1 3.3Å
636	L	93.7	Very high	89.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109.2	172.5	-56.4	-179.2	0	0	0	108	T568 I634 L649 F650 L665 I666 T668	T568-L636 HydrophobicContact CG2-CD2 3.67Å; I634-L636 HydrophobicContact CG2-CD2 3.98Å; I634-L636 HydrophobicContact CG2-CG 4.37Å; L636-L649 HydrophobicContact CD2-CD1 4.36Å; L636-F650 HydrophobicContact CD1-CD1 3.64Å; L636-F650 HydrophobicContact CD1-CE1 3.85Å; L636-L665 HydrophobicContact CD1-CD1 3.96Å; L636-L665 HydrophobicContact CG-CD1 4.03Å; L636-I666 PolarHBondContact N-O 3.35Å; L636-T668 PolarHBondContact O-N 3.31Å; L636-T668 PolarHBondContact O-OG1 3.47Å
637	D	91.6	Very high	89.8	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.102	C	C	.	.			trans	-114.2	157.6	-172.4	-175.5	39.4	0	0	0	113.7	T547 Q569 M635 A639 T668	T547-D637 WeakPolarHBondContact CB-OD2 3.5Å; T547-D637 WeakPolarHBondContact CG2-OD2 3.31Å; T547-D637 PolarHBondContact OG1-OD2 2.73Å; Q569-D637 PolarHBondContact NE2-OD2 2.76Å; M635-D637 HydrophobicContact CE-CB 3.85Å; M635-D637 HydrophobicContact CG-CB 4.47Å; D637-A639 PolarHBondContact O-N 2.87Å; D637-T668 VanDerWaalsContact CA-OG1 3.3Å; D637-T668 WeakPolarHBondContact CA-OG1 3.47Å; D637-T668 WeakPolarHBondContact CB-OG1 3.45Å; D637-T668 VanDerWaalsContact OD1-CB 3.23Å; D637-T668 WeakPolarHBondContact OD1-CB 3.2Å; D637-T668 PolarHBondContact OD1-OG1 3.03Å
638	E	88.4	Confident	90.1	Very high	8 Å²	8	14 Å²	14	4%	0.037	8%	0.084	C	C	.	.	S	Bend	trans	48.5	37	-164.6	-56.3	-78.2	82.4	0	0	112.2	K546 P570 H640 E641 T668 S797	K546-E638 IonicContact NZ-OE1 3.95Å; P570-E638 HydrophobicContact CG-CB 4.12Å; E638-H640 PolarHBondContact O-N 3.4Å; E638-H640 IonicContact OE1-CE1 3.22Å; E638-H640 PolarHBondContact OE1-CE1 2.85Å; E638-E641 PolarHBondContact O-N 3.05Å; E638-T668 PolarHBondContact N-O 3.18Å; E638-S797 WeakPolarHBondContact OE2-CA 3.37Å; E638-S797 PolarHBondContact OE2-N 3.09Å
639	A	88.1	Confident	90.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-55.5	-13.6	-172.8	0	0	0	0	0	115.6	D637 E641 R642 F650 V667 T668 F677	D637-A639 PolarHBondContact O-N 2.87Å; A639-E641 VanDerWaalsContact C-N 3.32Å; A639-R642 WeakPolarHBondContact O-CD 3.35Å; A639-F650 HydrophobicContact CB-CE1 4.27Å; A639-F650 HydrophobicContact CB-CZ 3.98Å; A639-V667 HydrophobicContact CB-CG1 3.84Å; A639-T668 WeakPolarHBondContact CB-O 3.4Å; A639-T668 PolarHBondContact N-O 2.95Å; A639-F677 HydrophobicContact CB-CE1 4.05Å; A639-F677 HydrophobicContact CB-CZ 4.24Å; A639-F677 WeakPolarHBondContact O-CZ 3.48Å
640	H	85.8	Confident	90.5	Very high	13 Å²	13	11.9 Å²	11.9	6%	0.06	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-79.3	-6.9	175	56.6	-93.8	0	0	0	114.3	E638 R642 S669 A670 T671 T796 Q838	E638-H640 PolarHBondContact O-N 3.4Å; E638-H640 IonicContact OE1-CE1 3.22Å; E638-H640 PolarHBondContact OE1-CE1 2.85Å; H640-R642 PolarHBondContact O-N 3.27Å; H640-S669 PolarHBondContact ND1-OG 3.24Å; H640-A670 PolarHBondContact ND1-N 2.84Å; H640-T671 HydrophobicContact CB-CG2 3.77Å; H640-T671 WeakPolarHBondContact CB-OG1 3.36Å; H640-T796 WeakPolarHBondContact NE2-CG2 3.26Å; H640-Q838 PolarHBondContact CD2-NE2 3.34Å; H640-Q838 PolarHBondContact NE2-NE2 2.78Å
641	E	81.7	Confident	90.5	Very high	49 Å²	49	9.3 Å²	9.3	23%	0.229	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-71	-19.8	171.3	-71.8	-171.9	-154.3	0	0	112.8	P570 R571 E638 A639 T643 T796	P570-E641 HydrophobicContact CB-CB 4.48Å; P570-E641 WeakPolarHBondContact CB-OE2 3.25Å; P570-E641 HydrophobicContact CG-CB 4.31Å; P570-E641 HydrophobicContact CG-CG 4.24Å; P570-E641 VanDerWaalsContact CG-OE2 3.26Å; P570-E641 WeakPolarHBondContact CG-OE2 3.38Å; R571-E641 IonicContact CZ-OE1 2.66Å; R571-E641 IonicContact CZ-OE2 2.77Å; R571-E641 IonicContact NH1-OE1 2.67Å; R571-E641 PolarHBondContact NH1-OE1 3.39Å; R571-E641 IonicContact NH1-OE2 3.51Å; R571-E641 PolarHBondContact NH1-OE2 3.45Å; R571-E641 IonicContact NH2-OE1 3.5Å; R571-E641 IonicContact NH2-OE2 3.08Å; E638-E641 PolarHBondContact O-N 3.05Å; A639-E641 VanDerWaalsContact C-N 3.32Å; E641-T643 VanDerWaalsContact C-N 3.28Å; E641-T643 HydrophobicContact CB-CG2 4.17Å; E641-T643 PolarHBondContact O-N 3.46Å; E641-T796 VanDerWaalsContact CD-OG1 3.24Å; E641-T796 WeakPolarHBondContact OE1-CB 3.37Å; E641-T796 PolarHBondContact OE1-OG1 2.88Å
642	R	87.8	Confident	90.3	Very high	18 Å²	18	10.1 Å²	10.1	7%	0.068	5%	0.05	C	C	.	.			trans	49.2	46.6	172.6	-60.3	-60.6	-55.8	-78.5	-8.9	113	A639 H640 D647 P870 E871 D899	A639-R642 WeakPolarHBondContact O-CD 3.35Å; H640-R642 PolarHBondContact O-N 3.27Å; R642-D647 IonicContact CZ-OD1 3.75Å; R642-D647 IonicContact CZ-OD2 2.82Å; R642-D647 IonicContact NE-OD1 2.7Å; R642-D647 PolarHBondContact NE-OD1 3.02Å; R642-D647 IonicContact NE-OD2 2.76Å; R642-D647 PolarHBondContact NE-OD2 2.85Å; R642-D647 IonicContact NH2-OD1 2.61Å; R642-D647 IonicContact NH2-OD2 3.23Å; R642-D647 PolarHBondContact NH2-OD2 3.12Å; R642-P870 HydrophobicContact CB-CB 4.25Å; R642-E871 WeakPolarHBondContact O-CB 3.37Å; R642-E871 PolarHBondContact O-N 3.4Å; R642-D899 IonicContact CZ-OD2 3.77Å; R642-D899 VanDerWaalsContact CZ-OD2 3.25Å; R642-D899 IonicContact NH1-OD2 2.67Å; R642-D899 PolarHBondContact NH1-OD2 3.41Å; R642-D899 IonicContact NH2-OD2 2.8Å; R642-D899 PolarHBondContact NH2-OD2 2.85Å
643	T	88.8	Confident	90.2	Very high	22 Å²	22	10 Å²	10	14%	0.135	5%	0.048	C	C	.	.			trans	-70.1	155.3	174.9	87.1	0	0	0	0	110	P570 E641 H645 T646 D647 E871	P570-T643 HydrophobicContact CB-CG2 3.82Å; E641-T643 VanDerWaalsContact C-N 3.28Å; E641-T643 HydrophobicContact CB-CG2 4.17Å; E641-T643 PolarHBondContact O-N 3.46Å; T643-H645 PolarHBondContact O-N 2.88Å; T643-H645 PolarHBondContact OG1-N 2.86Å; T643-T646 PolarHBondContact O-N 3.29Å; T643-T646 PolarHBondContact OG1-N 3.29Å; T643-T646 VanDerWaalsContact OG1-N 3.16Å; T643-T646 PolarHBondContact OG1-OG1 3.47Å; T643-D647 PolarHBondContact O-N 3.44Å; T643-E871 VanDerWaalsContact CA-OE2 3.23Å; T643-E871 WeakPolarHBondContact CA-OE2 3.44Å; T643-E871 WeakPolarHBondContact CB-OE2 3.31Å
644	I	90.5	Very high	90	Very high	15 Å²	15	10.9 Å²	10.9	8%	0.077	5%	0.052	C	C	.	.	H	α-helix	trans	-58.8	-33.2	-179.6	-171.1	165	0	0	0	112.2	V648 E871 I872 L877 T880	I644-V648 VanDerWaalsContact O-CG2 3.27Å; I644-V648 WeakPolarHBondContact O-CG2 3.44Å; I644-V648 PolarHBondContact O-N 3.16Å; I644-E871 HydrophobicContact CB-CG 4.33Å; I644-E871 PolarHBondContact N-OE2 2.99Å; I644-I872 HydrophobicContact CD1-CG1 4.37Å; I644-I872 HydrophobicContact CG1-CB 4.17Å; I644-I872 HydrophobicContact CG1-CG1 4.14Å; I644-L877 HydrophobicContact CD1-CD2 3.71Å; I644-T880 HydrophobicContact CD1-CG2 4.26Å; I644-T880 WeakPolarHBondContact CD1-OG1 3.2Å; I644-T880 HydrophobicContact CG1-CG2 4.21Å
645	H	91.1	Very high	89.7	Confident	58 Å²	58	14.6 Å²	14.6	27%	0.269	7%	0.07	S	C	.	.	H	α-helix	trans	-74.8	-37.1	175.3	-61.6	-42.5	0	0	0	112.5	D615 L619 T643 L649	D615-H645 HydrophobicContact CB-CB 3.79Å; L619-H645 HydrophobicContact CD2-CB 4.38Å; L619-H645 WeakPolarHBondContact CD2-ND1 3.26Å; T643-H645 PolarHBondContact O-N 2.88Å; T643-H645 PolarHBondContact OG1-N 2.86Å; H645-L649 WeakPolarHBondContact O-CB 3.48Å; H645-L649 VanDerWaalsContact O-CG 3.23Å; H645-L649 WeakPolarHBondContact O-CG 3.49Å; H645-L649 PolarHBondContact O-N 3.13Å
646	T	91	Very high	89.4	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-64.6	-44.7	177.5	-34.4	0	0	0	0	110.8	D615 T643 V648 L649 F650	D615-T646 WeakPolarHBondContact OD2-CB 3.47Å; D615-T646 WeakPolarHBondContact OD2-CG2 3.3Å; D615-T646 PolarHBondContact OD2-OG1 2.9Å; T643-T646 PolarHBondContact O-N 3.29Å; T643-T646 PolarHBondContact OG1-N 3.29Å; T643-T646 VanDerWaalsContact OG1-N 3.16Å; T643-T646 PolarHBondContact OG1-OG1 3.47Å; T646-V648 PolarHBondContact O-N 3.28Å; T646-L649 WeakPolarHBondContact O-CB 3.37Å; T646-L649 PolarHBondContact O-N 3.07Å; T646-F650 HydrophobicContact CG2-CE1 3.76Å; T646-F650 HydrophobicContact CG2-CE2 4.2Å; T646-F650 HydrophobicContact CG2-CZ 3.5Å; T646-F650 WeakPolarHBondContact O-CG 3.33Å; T646-F650 PolarHBondContact O-N 3.39Å
647	D	90.1	Very high	89.2	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.011	7%	0.072	C	C	.	.	H	α-helix	trans	-66.2	-37.6	-178.8	-79.8	18.8	0	0	0	112.6	R642 T643 F650 I872	R642-D647 IonicContact CZ-OD1 3.75Å; R642-D647 IonicContact CZ-OD2 2.82Å; R642-D647 IonicContact NE-OD1 2.7Å; R642-D647 PolarHBondContact NE-OD1 3.02Å; R642-D647 IonicContact NE-OD2 2.76Å; R642-D647 PolarHBondContact NE-OD2 2.85Å; R642-D647 IonicContact NH2-OD1 2.61Å; R642-D647 IonicContact NH2-OD2 3.23Å; R642-D647 PolarHBondContact NH2-OD2 3.12Å; T643-D647 PolarHBondContact O-N 3.44Å; D647-F650 PolarHBondContact O-N 2.61Å; D647-I872 HydrophobicContact CB-CG2 4.5Å
648	V	90.3	Very high	89.1	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-68.3	-41.7	171.8	171.8	0	0	0	0	111.3	L619 I644 T646 F650 G651 L652 T880 L884 F897	L619-V648 HydrophobicContact CD1-CB 4.43Å; L619-V648 HydrophobicContact CD1-CG1 3.56Å; L619-V648 HydrophobicContact CD2-CG1 4.45Å; I644-V648 VanDerWaalsContact O-CG2 3.27Å; I644-V648 WeakPolarHBondContact O-CG2 3.44Å; I644-V648 PolarHBondContact O-N 3.16Å; T646-V648 PolarHBondContact O-N 3.28Å; V648-F650 VanDerWaalsContact C-N 3.26Å; V648-F650 PolarHBondContact O-N 3.16Å; V648-G651 PolarHBondContact O-N 3.26Å; V648-L652 HydrophobicContact CG1-CD1 3.73Å; V648-L652 HydrophobicContact CG1-CG 4.21Å; V648-L652 WeakPolarHBondContact O-CG 3.49Å; V648-L652 PolarHBondContact O-N 3.08Å; V648-T880 HydrophobicContact CG2-CG2 3.63Å; V648-L884 HydrophobicContact CG1-CD2 3.91Å; V648-F897 HydrophobicContact CG2-CE1 4.31Å
649	L	91.5	Very high	89.1	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-31.9	175.6	-77.8	172.1	0	0	0	112.5	D615 M618 L619 L636 H645 T646 C653	D615-L649 HydrophobicContact CB-CD1 3.88Å; M618-L649 HydrophobicContact CB-CD1 4.08Å; M618-L649 HydrophobicContact CB-CD2 4.3Å; M618-L649 HydrophobicContact CG-CD1 4.21Å; M618-L649 HydrophobicContact CG-CD2 3.87Å; L619-L649 HydrophobicContact CB-CD2 4.32Å; L619-L649 HydrophobicContact CD1-CD2 4.3Å; L636-L649 HydrophobicContact CD2-CD1 4.36Å; H645-L649 WeakPolarHBondContact O-CB 3.48Å; H645-L649 VanDerWaalsContact O-CG 3.23Å; H645-L649 WeakPolarHBondContact O-CG 3.49Å; H645-L649 PolarHBondContact O-N 3.13Å; T646-L649 WeakPolarHBondContact O-CB 3.37Å; T646-L649 PolarHBondContact O-N 3.07Å; L649-C653 WeakPolarHBondContact O-CB 3.41Å; L649-C653 PolarHBondContact O-N 3.35Å; L649-C653 PolarHBondContact O-SG 2.88Å
650	F	91.6	Very high	89.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.4	-50.5	174.1	-63	-31.9	0	0	0	111.9	L636 A639 T646 D647 V648 C653 K654 V667 F677 Y680 F681 M898	L636-F650 HydrophobicContact CD1-CD1 3.64Å; L636-F650 HydrophobicContact CD1-CE1 3.85Å; A639-F650 HydrophobicContact CB-CE1 4.27Å; A639-F650 HydrophobicContact CB-CZ 3.98Å; T646-F650 HydrophobicContact CG2-CE1 3.76Å; T646-F650 HydrophobicContact CG2-CE2 4.2Å; T646-F650 HydrophobicContact CG2-CZ 3.5Å; T646-F650 WeakPolarHBondContact O-CG 3.33Å; T646-F650 PolarHBondContact O-N 3.39Å; D647-F650 PolarHBondContact O-N 2.61Å; V648-F650 VanDerWaalsContact C-N 3.26Å; V648-F650 PolarHBondContact O-N 3.16Å; F650-C653 PolarHBondContact O-N 2.87Å; F650-K654 VanDerWaalsContact O-CB 3.23Å; F650-K654 WeakPolarHBondContact O-CB 3.17Å; F650-K654 PolarHBondContact O-N 3.38Å; F650-V667 HydrophobicContact CE1-CG1 4.39Å; F650-F677 AromaticContact CE2-CE1 3.99Å; F650-F677 HydrophobicContact CE2-CE1 3.99Å; F650-F677 AromaticContact CZ-CE1 3.75Å; F650-F677 HydrophobicContact CZ-CE1 3.75Å; F650-Y680 HydrophobicContact CB-CE1 3.82Å; F650-F681 HydrophobicContact CB-CZ 3.83Å; F650-F681 HydrophobicContact CD1-CE2 4.17Å; F650-F681 AromaticContact CD1-CZ 3.72Å; F650-F681 HydrophobicContact CD1-CZ 3.72Å; F650-F681 HydrophobicContact CG-CE2 4.45Å; F650-F681 AromaticContact CG-CZ 3.96Å; F650-F681 HydrophobicContact CG-CZ 3.96Å; F650-M898 HydrophobicContact CD2-CE 3.81Å; F650-M898 HydrophobicContact CE2-CE 4.06Å; F650-M898 HydrophobicContact CG-CE 4.44Å
651	G	89.2	Confident	89.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-43.1	178.8	0	0	0	0	0	112.8	V648 K654 Q655 Y680	V648-G651 PolarHBondContact O-N 3.26Å; G651-K654 PolarHBondContact O-N 2.83Å; G651-Q655 WeakPolarHBondContact O-CG 3.42Å; G651-Q655 PolarHBondContact O-N 2.95Å; G651-Q655 VanDerWaalsContact O-N 3.08Å; G651-Y680 WeakPolarHBondContact CA-OH 3.33Å; G651-Y680 PolarHBondContact N-OH 2.99Å
652	L	89.5	Confident	89.5	Confident	19 Å²	19	35.8 Å²	35.8	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-45.1	177.3	-64.7	174.6	0	0	0	112.4	L619 C622 V648 Q655 A656 M887 I889 F895	L619-L652 HydrophobicContact CD1-CD1 3.45Å; L619-L652 VanDerWaalsContact CD1-CD1 3.45Å; C622-L652 HydrophobicContact CB-CD1 4.24Å; V648-L652 HydrophobicContact CG1-CD1 3.73Å; V648-L652 HydrophobicContact CG1-CG 4.21Å; V648-L652 WeakPolarHBondContact O-CG 3.49Å; V648-L652 PolarHBondContact O-N 3.08Å; L652-Q655 PolarHBondContact O-N 3.39Å; L652-A656 WeakPolarHBondContact O-CB 3.35Å; L652-A656 PolarHBondContact O-N 2.7Å; L652-M887 HydrophobicContact CD1-CE 3.66Å; L652-M887 HydrophobicContact CD1-SD 3.5Å; L652-M887 VanDerWaalsContact CD1-SD 3.5Å; L652-M887 HydrophobicContact CD2-SD 3.49Å; L652-M887 WeakPolarHBondContact CD2-SD 3.4Å; L652-M887 HydrophobicContact CG-SD 4.15Å; L652-I889 HydrophobicContact CD2-CD1 3.67Å; L652-F895 HydrophobicContact CD2-CE2 4.39Å; L652-F895 HydrophobicContact CD2-CZ 4.39Å; L652-F895 HydrophobicContact CG-CZ 4.46Å
653	C	90.3	Very high	89.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-39.5	177.8	-66.8	0	0	0	0	111.1	L649 F650 Q655 A656 V657 L665	L649-C653 WeakPolarHBondContact O-CB 3.41Å; L649-C653 PolarHBondContact O-N 3.35Å; L649-C653 PolarHBondContact O-SG 2.88Å; F650-C653 PolarHBondContact O-N 2.87Å; C653-Q655 VanDerWaalsContact C-N 3.32Å; C653-Q655 PolarHBondContact O-N 3.02Å; C653-A656 PolarHBondContact O-N 3.03Å; C653-V657 WeakPolarHBondContact O-CB 3.38Å; C653-V657 WeakPolarHBondContact O-CG2 3.37Å; C653-V657 PolarHBondContact O-N 2.97Å; C653-L665 HydrophobicContact CB-CD1 4.02Å; C653-L665 HydrophobicContact CB-CD2 3.92Å
654	K	89.5	Confident	89.8	Confident	19 Å²	19	35.4 Å²	35.4	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-41.9	175.2	-173.1	172.4	170.6	-171.2	0	111.8	F650 G651 T658 Y680 F681 F682 D896	F650-K654 VanDerWaalsContact O-CB 3.23Å; F650-K654 WeakPolarHBondContact O-CB 3.17Å; F650-K654 PolarHBondContact O-N 3.38Å; G651-K654 PolarHBondContact O-N 2.83Å; K654-T658 WeakPolarHBondContact O-CB 3.46Å; K654-T658 PolarHBondContact O-N 3.01Å; K654-T658 PolarHBondContact O-OG1 3.24Å; K654-Y680 HydrophobicContact CD-CD1 4.34Å; K654-Y680 HydrophobicContact CD-CE1 3.72Å; K654-Y680 HydrophobicContact CD-CE2 4.45Å; K654-Y680 WeakPolarHBondContact CE-O 3.12Å; K654-Y680 PolarHBondContact NZ-O 2.68Å; K654-F681 HydrophobicContact CB-CD1 4.45Å; K654-F681 HydrophobicContact CB-CE1 4.2Å; K654-F681 HydrophobicContact CD-CD1 4.47Å; K654-F682 HydrophobicContact CD-CE2 4.42Å; K654-F682 HydrophobicContact CD-CZ 4.32Å; K654-F682 HydrophobicContact CG-CE2 3.7Å; K654-F682 HydrophobicContact CG-CZ 3.82Å; K654-D896 VanDerWaalsContact CD-OD2 3.26Å; K654-D896 WeakPolarHBondContact CD-OD2 3.47Å; K654-D896 WeakPolarHBondContact CE-OD2 3.28Å; K654-D896 VanDerWaalsContact NZ-CG 3.25Å; K654-D896 IonicContact NZ-OD1 2.98Å; K654-D896 PolarHBondContact NZ-OD1 2.79Å; K654-D896 IonicContact NZ-OD2 2.65Å; K654-D896 PolarHBondContact NZ-OD2 3.22Å
655	Q	87.3	Confident	90	Very high	80 Å²	80	34.8 Å²	34.8	37%	0.374	18%	0.178	S	C	.	.	H	α-helix	trans	-67.4	-45.9	172.3	-68.3	-180	15.7	0	0	112.6	G651 L652 C653 T658 K659	G651-Q655 WeakPolarHBondContact O-CG 3.42Å; G651-Q655 PolarHBondContact O-N 2.95Å; G651-Q655 VanDerWaalsContact O-N 3.08Å; L652-Q655 PolarHBondContact O-N 3.39Å; C653-Q655 VanDerWaalsContact C-N 3.32Å; C653-Q655 PolarHBondContact O-N 3.02Å; Q655-T658 WeakPolarHBondContact O-CB 3.33Å; Q655-T658 PolarHBondContact O-N 3.07Å; Q655-K659 WeakPolarHBondContact O-CG 3.26Å; Q655-K659 PolarHBondContact O-N 2.81Å
656	A	89.1	Confident	90.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-41.4	-179.3	0	0	0	0	0	112.9	L652 C653 T658 K659 R660 L663	L652-A656 WeakPolarHBondContact O-CB 3.35Å; L652-A656 PolarHBondContact O-N 2.7Å; C653-A656 PolarHBondContact O-N 3.03Å; A656-T658 VanDerWaalsContact C-N 3.34Å; A656-K659 PolarHBondContact O-N 2.85Å; A656-R660 PolarHBondContact O-N 2.69Å; A656-L663 HydrophobicContact CB-CD2 4.1Å
657	V	90.6	Very high	90.3	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-42.2	173.3	165.5	0	0	0	0	110.7	Q534 I535 C653 K659 R660 L663 L665	Q534-V657 VanDerWaalsContact CD-CG1 3.46Å; Q534-V657 HydrophobicContact CG-CG1 4.03Å; Q534-V657 VanDerWaalsContact NE2-CG1 3.3Å; Q534-V657 PolarHBondContact NE2-O 3.26Å; I535-V657 HydrophobicContact CD1-CG1 4.02Å; I535-V657 HydrophobicContact CG1-CG1 3.83Å; C653-V657 WeakPolarHBondContact O-CB 3.38Å; C653-V657 WeakPolarHBondContact O-CG2 3.37Å; C653-V657 PolarHBondContact O-N 2.97Å; V657-K659 VanDerWaalsContact C-N 3.31Å; V657-K659 PolarHBondContact O-N 3.48Å; V657-R660 CarbonylContact O-C 3.59Å; V657-R660 PolarHBondContact O-N 3.36Å; V657-L663 HydrophobicContact CG2-CD2 4.36Å; V657-L665 HydrophobicContact CG2-CB 3.88Å; V657-L665 HydrophobicContact CG2-CD2 4.3Å
658	T	88.5	Confident	90.3	Very high	96 Å²	96	32 Å²	32	59%	0.589	17%	0.165	S	C	*	.	H	α-helix	trans	-64	-34.1	175.9	-55	0	0	0	0	112.3	K654 Q655 A656	K654-T658 WeakPolarHBondContact O-CB 3.46Å; K654-T658 PolarHBondContact O-N 3.01Å; K654-T658 PolarHBondContact O-OG1 3.24Å; Q655-T658 WeakPolarHBondContact O-CB 3.33Å; Q655-T658 PolarHBondContact O-N 3.07Å; A656-T658 VanDerWaalsContact C-N 3.34Å
659	K	88.9	Confident	90.1	Very high	122 Å²	122	32 Å²	32	53%	0.53	17%	0.165	S	C	.	.	H	α-helix	trans	-77.9	-38.7	175.3	-67.6	172	175.6	177.3	0	113.7	D627 Q655 A656 V657	D627-K659 WeakPolarHBondContact OD1-CD 3.44Å; D627-K659 IonicContact OD1-NZ 2.69Å; D627-K659 PolarHBondContact OD1-NZ 2.61Å; Q655-K659 WeakPolarHBondContact O-CG 3.26Å; Q655-K659 PolarHBondContact O-N 2.81Å; A656-K659 PolarHBondContact O-N 2.85Å; V657-K659 VanDerWaalsContact C-N 3.31Å; V657-K659 PolarHBondContact O-N 3.48Å
660	R	88.7	Confident	89.5	Confident	59 Å²	59	33.3 Å²	33.3	22%	0.223	18%	0.176	C	C	.	.			trans	-117.6	93.5	-173	-74	178.8	70.5	-143.6	2.1	110.7	Q534 D627 L628 Y631 A656 V657 N662 L663	Q534-R660 PolarHBondContact NE2-O 3Å; D627-R660 WeakPolarHBondContact O-CD 3.28Å; D627-R660 PolarHBondContact O-NH1 3.25Å; L628-R660 PolarHBondContact O-NH1 2.77Å; Y631-R660 PolarHBondContact O-NH2 3.28Å; A656-R660 PolarHBondContact O-N 2.69Å; V657-R660 CarbonylContact O-C 3.59Å; V657-R660 PolarHBondContact O-N 3.36Å; R660-N662 PolarHBondContact O-N 3.31Å; R660-L663 HydrophobicContact CB-CB 4.01Å; R660-L663 WeakPolarHBondContact O-CB 3.05Å; R660-L663 PolarHBondContact O-N 2.59Å
661	P	85.9	Confident	88.6	Confident	93 Å²	93	34.4 Å²	34.4	60%	0.604	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	177.3	23.5	-34.4	0	0	0	113.8
662	N	88.6	Confident	87.2	Confident	139 Å²	139	41.5 Å²	41.5	74%	0.743	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.6	178	-61.5	1	0	0	0	113.7	R660	R660-N662 PolarHBondContact O-N 3.31Å
663	L	91.4	Very high	86.3	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.231	C	C	.	.			trans	-86.8	125.3	179.7	179.6	66.6	0	0	0	109.5	Q534 I634 A656 V657 R660	Q534-L663 VanDerWaalsContact CG-O 3.27Å; Q534-L663 WeakPolarHBondContact CG-O 3.38Å; Q534-L663 PolarHBondContact NE2-O 2.84Å; I634-L663 HydrophobicContact CD1-CD1 3.79Å; I634-L663 HydrophobicContact CD1-CD2 4.05Å; I634-L663 HydrophobicContact CD1-CG 4.32Å; I634-L663 HydrophobicContact CG1-CD1 4.08Å; A656-L663 HydrophobicContact CB-CD2 4.1Å; V657-L663 HydrophobicContact CG2-CD2 4.36Å; R660-L663 HydrophobicContact CB-CB 4.01Å; R660-L663 WeakPolarHBondContact O-CB 3.05Å; R660-L663 PolarHBondContact O-N 2.59Å
664	K	92.8	Very high	85.7	Confident	32 Å²	32	43.7 Å²	43.7	14%	0.139	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.1	178	-60.9	-164.1	175.3	-173.8	0	112.3	V530 N531 Q534 Y559 S632 V633 I634	V530-K664 HydrophobicContact CG1-CD 4.06Å; V530-K664 WeakPolarHBondContact O-CD 3.49Å; V530-K664 PolarHBondContact O-NZ 3.14Å; N531-K664 PolarHBondContact O-NZ 3.44Å; Q534-K664 WeakPolarHBondContact O-CA 3.36Å; Y559-K664 HydrophobicContact CE1-CD 3.92Å; Y559-K664 PolarHBondContact OH-NZ 2.68Å; S632-K664 PolarHBondContact O-N 3.41Å; S632-K664 VanDerWaalsContact O-N 3.14Å; V633-K664 WeakPolarHBondContact CA-O 3.3Å; V633-K664 HydrophobicContact CG1-CB 4.23Å; V633-K664 HydrophobicContact CG2-CB 4.37Å; I634-K664 PolarHBondContact N-O 3.39Å
665	L	94.3	Very high	85.4	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122	-177.2	-179.3	65.3	0	0	0	110.5	Q534 I535 L536 I634 L636 C653 V657 V667 F681	Q534-L665 PolarHBondContact O-N 3.16Å; I535-L665 CarbonylContact C-O 3.49Å; I535-L665 VanDerWaalsContact CA-O 3.3Å; I535-L665 WeakPolarHBondContact CA-O 3.3Å; I535-L665 HydrophobicContact CG1-CB 4.41Å; I535-L665 HydrophobicContact CG2-CB 4.4Å; I535-L665 HydrophobicContact CG2-CD2 4.25Å; I535-L665 HydrophobicContact CG2-CG 4.42Å; L536-L665 PolarHBondContact N-O 3.46Å; I634-L665 HydrophobicContact CB-CD1 4.3Å; I634-L665 HydrophobicContact CG2-CD1 4.26Å; I634-L665 WeakPolarHBondContact O-CA 3.41Å; L636-L665 HydrophobicContact CD1-CD1 3.96Å; L636-L665 HydrophobicContact CG-CD1 4.03Å; C653-L665 HydrophobicContact CB-CD1 4.02Å; C653-L665 HydrophobicContact CB-CD2 3.92Å; V657-L665 HydrophobicContact CG2-CB 3.88Å; V657-L665 HydrophobicContact CG2-CD2 4.3Å; L665-V667 HydrophobicContact CD2-CG2 4.26Å; L665-V667 HydrophobicContact CG-CG2 4.07Å; L665-F681 HydrophobicContact CD2-CD1 4.2Å; L665-F681 HydrophobicContact CD2-CE1 3.75Å; L665-F681 HydrophobicContact CD2-CZ 4.26Å
666	I	94.2	Very high	85.3	Confident	2 Å²	2	46 Å²	46	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.9	173.9	-61.1	175.9	0	0	0	107.9	V530 L536 V538 I550 L554 V633 I634 M635 L636 T668	V530-I666 HydrophobicContact CG1-CD1 4.41Å; V530-I666 HydrophobicContact CG2-CD1 3.83Å; V530-I666 HydrophobicContact CG2-CG1 4.43Å; L536-I666 WeakPolarHBondContact O-CA 3.35Å; V538-I666 HydrophobicContact CG2-CG2 3.92Å; I550-I666 HydrophobicContact CG2-CD1 3.96Å; L554-I666 HydrophobicContact CD1-CD1 3.79Å; V633-I666 HydrophobicContact CG1-CD1 4.07Å; V633-I666 HydrophobicContact CG1-CG1 4.36Å; I634-I666 PolarHBondContact O-N 3Å; M635-I666 CarbonylContact C-O 3.57Å; M635-I666 WeakPolarHBondContact CA-O 3.15Å; M635-I666 HydrophobicContact CB-CB 4.38Å; M635-I666 HydrophobicContact CG-CB 4.47Å; M635-I666 HydrophobicContact CG-CG2 4.35Å; L636-I666 PolarHBondContact N-O 3.35Å; I666-T668 HydrophobicContact CG2-CG2 4.37Å
667	V	93.4	Very high	85.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110	178.2	-176.9	0	0	0	0	108.4	L536 I537 V538 A639 F650 L665 F677 F681	L536-V667 PolarHBondContact O-N 2.92Å; I537-V667 CarbonylContact C-O 3.57Å; I537-V667 WeakPolarHBondContact CA-O 3.46Å; I537-V667 HydrophobicContact CG1-CB 4.29Å; V538-V667 PolarHBondContact N-O 2.8Å; A639-V667 HydrophobicContact CB-CG1 3.84Å; F650-V667 HydrophobicContact CE1-CG1 4.39Å; L665-V667 HydrophobicContact CD2-CG2 4.26Å; L665-V667 HydrophobicContact CG-CG2 4.07Å; V667-F677 HydrophobicContact CG1-CD1 3.96Å; V667-F677 HydrophobicContact CG1-CE1 4.4Å; V667-F681 HydrophobicContact CG1-CE2 4.32Å; V667-F681 HydrophobicContact CG2-CD2 4.19Å; V667-F681 HydrophobicContact CG2-CE2 3.73Å; V667-F681 HydrophobicContact CG2-CZ 4.07Å
668	T	90.8	Very high	85.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.1	-170.1	10.7	0	0	0	0	111.4	V538 K546 I550 M635 L636 D637 E638 A639 I666	V538-T668 HydrophobicContact CB-CG2 3.69Å; V538-T668 HydrophobicContact CG1-CG2 3.96Å; V538-T668 WeakPolarHBondContact O-CA 3.44Å; K546-T668 HydrophobicContact CB-CG2 4.3Å; K546-T668 HydrophobicContact CD-CG2 3.93Å; I550-T668 HydrophobicContact CD1-CG2 3.91Å; M635-T668 HydrophobicContact CE-CG2 3.91Å; M635-T668 WeakPolarHBondContact CE-OG1 3.3Å; L636-T668 PolarHBondContact O-N 3.31Å; L636-T668 PolarHBondContact O-OG1 3.47Å; D637-T668 VanDerWaalsContact CA-OG1 3.3Å; D637-T668 WeakPolarHBondContact CA-OG1 3.47Å; D637-T668 WeakPolarHBondContact CB-OG1 3.45Å; D637-T668 VanDerWaalsContact OD1-CB 3.23Å; D637-T668 WeakPolarHBondContact OD1-CB 3.2Å; D637-T668 PolarHBondContact OD1-OG1 3.03Å; E638-T668 PolarHBondContact N-O 3.18Å; A639-T668 WeakPolarHBondContact CB-O 3.4Å; A639-T668 PolarHBondContact N-O 2.95Å; I666-T668 HydrophobicContact CG2-CG2 4.37Å
669	S	86.1	Confident	85.1	Confident	1 Å²	1	49 Å²	49	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.6	-179.8	-171	0	0	0	0	112.8	V538 G540 K546 H640 T671	V538-S669 PolarHBondContact O-N 3.01Å; G540-S669 PolarHBondContact N-O 3.19Å; K546-S669 WeakPolarHBondContact CE-O 3.29Å; K546-S669 PolarHBondContact NZ-O 3.02Å; H640-S669 PolarHBondContact ND1-OG 3.24Å; S669-T671 PolarHBondContact OG-N 3.46Å; S669-T671 VanDerWaalsContact OG-N 3.15Å; S669-T671 PolarHBondContact OG-OG1 2.59Å
670	A	78.5	Confident	85.2	Confident	28 Å²	28	44.2 Å²	44.2	23%	0.231	24%	0.235	C	C	.	.	S	Bend	trans	-114.9	7.6	171.7	0	0	0	0	0	112.3	T542 H640	T542-A670 HydrophobicContact CG2-CB 3.94Å; H640-A670 PolarHBondContact ND1-N 2.84Å
671	T	72.9	Confident	85.2	Confident	23 Å²	23	41.4 Å²	41.4	14%	0.141	23%	0.225	C	C	.	.	S	Bend	trans	-117.5	158.7	-179.6	64.3	0	0	0	0	111.8	H640 S669 D673 Q838	H640-T671 HydrophobicContact CB-CG2 3.77Å; H640-T671 WeakPolarHBondContact CB-OG1 3.36Å; S669-T671 PolarHBondContact OG-N 3.46Å; S669-T671 VanDerWaalsContact OG-N 3.15Å; S669-T671 PolarHBondContact OG-OG1 2.59Å; T671-D673 VanDerWaalsContact C-N 3.28Å; T671-D673 PolarHBondContact O-N 3.31Å; T671-Q838 HydrophobicContact CG2-CG 4.45Å
672	L	59.6	Low	85.2	Confident	148 Å²	148	43.2 Å²	43.2	78%	0.775	22%	0.223	S	C	*	.	S	Bend	trans	-79	-1	-176.1	-67.6	169.5	0	0	0	114.6	A674	L672-A674 PolarHBondContact O-N 2.67Å
673	D	71.3	Confident	85.2	Confident	64 Å²	64	40.2 Å²	40.2	34%	0.342	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	25	-179.4	-159	14.2	0	0	0	113.3	T671 V675 K676 F677	T671-D673 VanDerWaalsContact C-N 3.28Å; T671-D673 PolarHBondContact O-N 3.31Å; D673-V675 PolarHBondContact O-N 2.8Å; D673-K676 PolarHBondContact O-N 3.22Å; D673-K676 VanDerWaalsContact O-N 3.1Å; D673-K676 WeakPolarHBondContact OD1-CB 3.18Å; D673-F677 VanDerWaalsContact O-CD2 3.28Å; D673-F677 WeakPolarHBondContact O-CD2 3.36Å
674	A	77.1	Confident	85.1	Confident	2 Å²	2	40.5 Å²	40.5	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-21	179	0	0	0	0	0	113.3	I537 I539 L672 K676 F677 S678 I686	I537-A674 HydrophobicContact CG2-CB 4.25Å; I539-A674 HydrophobicContact CD1-CB 3.38Å; I539-A674 HydrophobicContact CG1-CB 3.68Å; L672-A674 PolarHBondContact O-N 2.67Å; A674-K676 VanDerWaalsContact C-N 3.34Å; A674-F677 PolarHBondContact O-N 2.84Å; A674-S678 WeakPolarHBondContact O-CB 3.5Å; A674-S678 PolarHBondContact O-N 3.31Å; A674-I686 HydrophobicContact CB-CD1 3.97Å; A674-I686 HydrophobicContact CB-CG1 4.44Å; A674-I686 HydrophobicContact CB-CG2 4.16Å
675	V	84.2	Confident	85.1	Confident	87 Å²	87	41.5 Å²	41.5	53%	0.527	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-44	172.7	-178.2	0	0	0	0	110.6	D673 S678 Q679	D673-V675 PolarHBondContact O-N 2.8Å; V675-S678 PolarHBondContact O-N 3.17Å; V675-Q679 HydrophobicContact CG1-CG 4.47Å; V675-Q679 WeakPolarHBondContact O-CB 3.47Å; V675-Q679 VanDerWaalsContact O-CG 3.32Å; V675-Q679 WeakPolarHBondContact O-CG 3.44Å; V675-Q679 PolarHBondContact O-N 3.2Å
676	K	85.2	Confident	84.9	Confident	59 Å²	59	44.7 Å²	44.7	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-43.6	178.1	-168.2	175.1	-166.9	176.3	0	111.9	D673 A674 S678 Y680 M898 D899	D673-K676 PolarHBondContact O-N 3.22Å; D673-K676 VanDerWaalsContact O-N 3.1Å; D673-K676 WeakPolarHBondContact OD1-CB 3.18Å; A674-K676 VanDerWaalsContact C-N 3.34Å; K676-S678 VanDerWaalsContact C-N 3.34Å; K676-S678 PolarHBondContact O-N 3.12Å; K676-Y680 WeakPolarHBondContact O-CB 3.26Å; K676-Y680 PolarHBondContact O-N 2.68Å; K676-M898 HydrophobicContact CD-CG 4.5Å; K676-M898 HydrophobicContact CD-SD 4.34Å; K676-M898 HydrophobicContact CG-CG 4.4Å; K676-M898 HydrophobicContact CG-SD 4.2Å; K676-D899 IonicContact NZ-OD1 2.7Å; K676-D899 PolarHBondContact NZ-OD1 3.24Å; K676-D899 IonicContact NZ-OD2 2.61Å; K676-D899 PolarHBondContact NZ-OD2 3.23Å
677	F	86.4	Confident	84.7	Confident	4 Å²	4	46 Å²	46	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-43.4	173.2	-68.4	-79.5	0	0	0	111.6	I537 A639 F650 V667 D673 A674 Y680 F681 M898	I537-F677 VanDerWaalsContact CD1-C 3.43Å; I537-F677 HydrophobicContact CD1-CB 3.86Å; I537-F677 HydrophobicContact CG1-CB 4.39Å; I537-F677 HydrophobicContact CG2-CB 4.43Å; A639-F677 HydrophobicContact CB-CE1 4.05Å; A639-F677 HydrophobicContact CB-CZ 4.24Å; A639-F677 WeakPolarHBondContact O-CZ 3.48Å; F650-F677 AromaticContact CE2-CE1 3.99Å; F650-F677 HydrophobicContact CE2-CE1 3.99Å; F650-F677 AromaticContact CZ-CE1 3.75Å; F650-F677 HydrophobicContact CZ-CE1 3.75Å; V667-F677 HydrophobicContact CG1-CD1 3.96Å; V667-F677 HydrophobicContact CG1-CE1 4.4Å; D673-F677 VanDerWaalsContact O-CD2 3.28Å; D673-F677 WeakPolarHBondContact O-CD2 3.36Å; A674-F677 PolarHBondContact O-N 2.84Å; F677-Y680 PolarHBondContact O-N 3.5Å; F677-F681 HydrophobicContact CD1-CE2 4.5Å; F677-F681 WeakPolarHBondContact O-CB 3.23Å; F677-F681 VanDerWaalsContact O-CD2 3.28Å; F677-F681 WeakPolarHBondContact O-CD2 3.17Å; F677-F681 PolarHBondContact O-N 2.83Å; F677-M898 HydrophobicContact CD1-CE 3.63Å; F677-M898 HydrophobicContact CD1-SD 4.31Å; F677-M898 HydrophobicContact CE1-CE 3.91Å; F677-M898 HydrophobicContact CE1-SD 4.24Å; F677-M898 HydrophobicContact CG-CE 4.44Å
678	S	88	Confident	84.6	Confident	20 Å²	20	50.1 Å²	50.1	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-49.5	-180	-178.4	0	0	0	0	111.6	I537 A674 V675 K676 Y680 F681 A683 A684	I537-S678 VanDerWaalsContact CD1-N 3.26Å; A674-S678 WeakPolarHBondContact O-CB 3.5Å; A674-S678 PolarHBondContact O-N 3.31Å; V675-S678 PolarHBondContact O-N 3.17Å; K676-S678 VanDerWaalsContact C-N 3.34Å; K676-S678 PolarHBondContact O-N 3.12Å; S678-Y680 VanDerWaalsContact C-N 3.29Å; S678-Y680 PolarHBondContact O-N 3.39Å; S678-F681 CarbonylContact O-C 3.58Å; S678-F681 PolarHBondContact O-N 3.47Å; S678-A683 WeakPolarHBondContact O-CA 2.97Å; S678-A683 PolarHBondContact O-N 3.1Å; S678-A684 WeakPolarHBondContact CB-O 3.35Å; S678-A684 PolarHBondContact O-N 3.21Å; S678-A684 PolarHBondContact OG-O 3.34Å
679	Q	89.6	Confident	84.3	Confident	143 Å²	143	50.2 Å²	50.2	67%	0.668	28%	0.278	S	S	*	.	H	α-helix	trans	-55.2	-43.8	175.3	-73.3	172.6	-10.9	0	0	112.1	V675	V675-Q679 HydrophobicContact CG1-CG 4.47Å; V675-Q679 WeakPolarHBondContact O-CB 3.47Å; V675-Q679 VanDerWaalsContact O-CG 3.32Å; V675-Q679 WeakPolarHBondContact O-CG 3.44Å; V675-Q679 PolarHBondContact O-N 3.2Å
680	Y	89.2	Confident	83.9	Confident	20 Å²	20	54.1 Å²	54.1	8%	0.078	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-42.1	178.5	177.9	-93.7	0	0	0	113	F650 G651 K654 K676 F677 S678 F682 D896 M898	F650-Y680 HydrophobicContact CB-CE1 3.82Å; G651-Y680 WeakPolarHBondContact CA-OH 3.33Å; G651-Y680 PolarHBondContact N-OH 2.99Å; K654-Y680 HydrophobicContact CD-CD1 4.34Å; K654-Y680 HydrophobicContact CD-CE1 3.72Å; K654-Y680 HydrophobicContact CD-CE2 4.45Å; K654-Y680 WeakPolarHBondContact CE-O 3.12Å; K654-Y680 PolarHBondContact NZ-O 2.68Å; K676-Y680 WeakPolarHBondContact O-CB 3.26Å; K676-Y680 PolarHBondContact O-N 2.68Å; F677-Y680 PolarHBondContact O-N 3.5Å; S678-Y680 VanDerWaalsContact C-N 3.29Å; S678-Y680 PolarHBondContact O-N 3.39Å; Y680-F682 VanDerWaalsContact C-N 3.34Å; Y680-F682 PolarHBondContact O-N 2.81Å; Y680-D896 WeakPolarHBondContact CE2-O 3.49Å; Y680-D896 WeakPolarHBondContact CE2-OD1 3.44Å; Y680-D896 PolarHBondContact OH-O 3.07Å; Y680-M898 HydrophobicContact CD1-CE 3.66Å; Y680-M898 HydrophobicContact CD2-CB 3.75Å; Y680-M898 HydrophobicContact CD2-CE 4.44Å; Y680-M898 HydrophobicContact CD2-CG 4.06Å; Y680-M898 HydrophobicContact CE1-CE 4.32Å; Y680-M898 HydrophobicContact CE2-CB 3.89Å; Y680-M898 HydrophobicContact CG-CB 4.15Å; Y680-M898 HydrophobicContact CG-CE 3.72Å; Y680-M898 HydrophobicContact CG-CG 4.14Å
681	F	89.1	Confident	83.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	55.9	178.9	-70.3	-66.5	0	0	0	112.7	I535 F650 K654 L665 V667 F677 S678 A683 A684 M898	I535-F681 HydrophobicContact CD1-CB 4.14Å; I535-F681 HydrophobicContact CD1-CD1 4.13Å; I535-F681 HydrophobicContact CG2-CB 4.08Å; I535-F681 HydrophobicContact CG2-CD1 4.48Å; I535-F681 HydrophobicContact CG2-CG 4.26Å; F650-F681 HydrophobicContact CB-CZ 3.83Å; F650-F681 HydrophobicContact CD1-CE2 4.17Å; F650-F681 AromaticContact CD1-CZ 3.72Å; F650-F681 HydrophobicContact CD1-CZ 3.72Å; F650-F681 HydrophobicContact CG-CE2 4.45Å; F650-F681 AromaticContact CG-CZ 3.96Å; F650-F681 HydrophobicContact CG-CZ 3.96Å; K654-F681 HydrophobicContact CB-CD1 4.45Å; K654-F681 HydrophobicContact CB-CE1 4.2Å; K654-F681 HydrophobicContact CD-CD1 4.47Å; L665-F681 HydrophobicContact CD2-CD1 4.2Å; L665-F681 HydrophobicContact CD2-CE1 3.75Å; L665-F681 HydrophobicContact CD2-CZ 4.26Å; V667-F681 HydrophobicContact CG1-CE2 4.32Å; V667-F681 HydrophobicContact CG2-CD2 4.19Å; V667-F681 HydrophobicContact CG2-CE2 3.73Å; V667-F681 HydrophobicContact CG2-CZ 4.07Å; F677-F681 HydrophobicContact CD1-CE2 4.5Å; F677-F681 WeakPolarHBondContact O-CB 3.23Å; F677-F681 VanDerWaalsContact O-CD2 3.28Å; F677-F681 WeakPolarHBondContact O-CD2 3.17Å; F677-F681 PolarHBondContact O-N 2.83Å; S678-F681 CarbonylContact O-C 3.58Å; S678-F681 PolarHBondContact O-N 3.47Å; F681-A683 VanDerWaalsContact C-N 3.29Å; F681-A683 PolarHBondContact O-N 3.33Å; F681-A684 HydrophobicContact CB-CB 4.05Å; F681-A684 WeakPolarHBondContact O-CB 3.26Å; F681-A684 PolarHBondContact O-N 3.24Å; F681-M898 HydrophobicContact CE2-CE 4.4Å
682	F	86.9	Confident	82.9	Confident	131 Å²	131	59.7 Å²	59.7	58%	0.575	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.4	172.4	-50.5	-66.3	0	0	0	115.3	I535 K654 Y680 A684	I535-F682 HydrophobicContact CD1-CD2 4.03Å; K654-F682 HydrophobicContact CD-CE2 4.42Å; K654-F682 HydrophobicContact CD-CZ 4.32Å; K654-F682 HydrophobicContact CG-CE2 3.7Å; K654-F682 HydrophobicContact CG-CZ 3.82Å; Y680-F682 VanDerWaalsContact C-N 3.34Å; Y680-F682 PolarHBondContact O-N 2.81Å; F682-A684 VanDerWaalsContact C-N 3.32Å
683	A	87.7	Confident	83.1	Confident	76 Å²	76	55.6 Å²	55.6	63%	0.628	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	34.5	-171.8	0	0	0	0	0	114.1	S678 F681	S678-A683 WeakPolarHBondContact O-CA 2.97Å; S678-A683 PolarHBondContact O-N 3.1Å; F681-A683 VanDerWaalsContact C-N 3.29Å; F681-A683 PolarHBondContact O-N 3.33Å
684	A	89.1	Confident	83.5	Confident	8 Å²	8	57 Å²	57	7%	0.066	31%	0.309	C	S	.	.			trans	-53.1	142.8	178.6	0	0	0	0	0	112.8	I535 I537 S678 F681 F682	I535-A684 HydrophobicContact CB-CB 4Å; I535-A684 HydrophobicContact CG2-CB 3.9Å; I537-A684 HydrophobicContact CD1-CB 3.99Å; I537-A684 HydrophobicContact CG1-CB 4.4Å; S678-A684 WeakPolarHBondContact CB-O 3.35Å; S678-A684 PolarHBondContact O-N 3.21Å; S678-A684 PolarHBondContact OG-O 3.34Å; F681-A684 HydrophobicContact CB-CB 4.05Å; F681-A684 WeakPolarHBondContact O-CB 3.26Å; F681-A684 PolarHBondContact O-N 3.24Å; F682-A684 VanDerWaalsContact C-N 3.32Å
685	P	92.8	Very high	83.9	Confident	53 Å²	53	61.8 Å²	61.8	34%	0.344	34%	0.34	S	S	.	.			trans	-66.1	146.2	-176.9	25.5	-33.3	0	0	0	112.6	N533 L536 I537	N533-P685 HydrophobicContact CB-CG 4.19Å; N533-P685 WeakPolarHBondContact OD1-CG 3.41Å; L536-P685 HydrophobicContact CD1-CB 4.49Å; L536-P685 HydrophobicContact CD1-CG 4Å; I537-P685 PolarHBondContact N-O 2.96Å
686	I	91.3	Very high	84	Confident	69 Å²	69	59.4 Å²	59.4	35%	0.354	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.8	-178.3	-60.1	175.3	0	0	0	108.8	I537 I539 A674	I537-I686 HydrophobicContact CB-CG1 4.48Å; I537-I686 HydrophobicContact CG2-CG1 4.48Å; I537-I686 CarbonylContact O-C 3.46Å; I537-I686 WeakPolarHBondContact O-CA 3.42Å; I539-I686 HydrophobicContact CD1-CG2 3.48Å; I539-I686 VanDerWaalsContact CD1-CG2 3.48Å; I539-I686 HydrophobicContact CG1-CG2 3.75Å; A674-I686 HydrophobicContact CB-CD1 3.97Å; A674-I686 HydrophobicContact CB-CG1 4.44Å; A674-I686 HydrophobicContact CB-CG2 4.16Å
687	F	90.5	Very high	84.4	Confident	29 Å²	29	61.7 Å²	61.7	13%	0.127	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.6	174.1	-167.7	-92.8	0	0	0	109.5	L522 E525 L526 A529 L536 I537 V538 I539 I689	L522-F687 HydrophobicContact CB-CE1 4.38Å; L522-F687 HydrophobicContact CB-CZ 4.11Å; L522-F687 HydrophobicContact CD1-CE1 4.3Å; L522-F687 HydrophobicContact CD1-CZ 4.35Å; E525-F687 HydrophobicContact CB-CE2 4.06Å; E525-F687 HydrophobicContact CB-CZ 4.1Å; L526-F687 HydrophobicContact CB-CE1 3.99Å; L526-F687 HydrophobicContact CB-CZ 3.89Å; L526-F687 HydrophobicContact CD1-CD1 3.84Å; L526-F687 HydrophobicContact CD1-CE1 3.84Å; L526-F687 HydrophobicContact CD1-CG 4.4Å; L526-F687 HydrophobicContact CD1-CZ 4.4Å; A529-F687 HydrophobicContact CB-CD2 4.05Å; A529-F687 HydrophobicContact CB-CE2 4.34Å; L536-F687 HydrophobicContact CD1-CB 4.12Å; L536-F687 HydrophobicContact CD2-CB 4.44Å; L536-F687 HydrophobicContact CG-CB 4.37Å; I537-F687 PolarHBondContact O-N 2.88Å; V538-F687 CarbonylContact C-O 3.54Å; V538-F687 WeakPolarHBondContact CA-O 3.2Å; V538-F687 HydrophobicContact CG2-CB 4.36Å; I539-F687 PolarHBondContact N-O 3.21Å; F687-I689 HydrophobicContact CD1-CG1 3.98Å; F687-I689 HydrophobicContact CE1-CG1 3.88Å
688	T	89.3	Confident	84.7	Confident	87 Å²	87	64.9 Å²	64.9	53%	0.534	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.5	-177.2	-59.1	0	0	0	0	110.7	I539 P690	I539-T688 HydrophobicContact CB-CG2 4.47Å; T688-P690 WeakPolarHBondContact O-CD 3.27Å
689	I	85.3	Confident	85	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.7	170.6	-59.1	166.1	0	0	0	107.9	P518 I519 V538 I539 K546 F687 G691	P518-I689 HydrophobicContact CB-CG2 4.48Å; I519-I689 HydrophobicContact CB-CD1 4.46Å; I519-I689 HydrophobicContact CB-CG2 4.43Å; I519-I689 HydrophobicContact CD1-CD1 3.64Å; I519-I689 HydrophobicContact CG1-CD1 3.83Å; V538-I689 HydrophobicContact CG1-CD1 3.51Å; V538-I689 HydrophobicContact CG1-CG1 4.15Å; I539-I689 PolarHBondContact O-N 3.14Å; K546-I689 HydrophobicContact CG-CD1 4.22Å; F687-I689 HydrophobicContact CD1-CG1 3.98Å; F687-I689 HydrophobicContact CE1-CG1 3.88Å; I689-G691 PolarHBondContact O-N 3.48Å
690	P	78.9	Confident	85.2	Confident	83 Å²	83	64.4 Å²	64.4	54%	0.539	35%	0.348	S	S	.	.			trans	-63.9	126.7	171.5	29	-32.1	0	0	0	107.9	P518 L522 T688	P518-P690 WeakPolarHBondContact CB-O 3.29Å; L522-P690 HydrophobicContact CD1-CG 4.39Å; T688-P690 WeakPolarHBondContact O-CD 3.27Å
691	G	66.9	Low	85.3	Confident	29 Å²	29	64.7 Å²	64.7	30%	0.299	35%	0.353	S	S	.	.			trans	-80.1	-165.1	-177.1	0	0	0	0	0	113.1	E541 I689	E541-G691 WeakPolarHBondContact OE2-CA 3.37Å; I689-G691 PolarHBondContact O-N 3.48Å
692	R	62.9	Low	85.2	Confident	138 Å²	138	76.3 Å²	76.3	52%	0.521	40%	0.396	S	S	.	.			trans	-122.6	18.8	-178.5	-130.6	-176.8	-167.9	161.1	10.3	111.7	S516 P518 E541 F694	S516-R692 PolarHBondContact O-NH1 3.41Å; S516-R692 PolarHBondContact O-NH2 3.03Å; S516-R692 PolarHBondContact OG-NH1 3.27Å; P518-R692 HydrophobicContact CG-CB 3.78Å; P518-R692 HydrophobicContact CG-CG 3.93Å; E541-R692 PolarHBondContact OE2-N 3.47Å; R692-F694 PolarHBondContact O-N 2.88Å
693	T	64	Low	85.2	Confident	63 Å²	63	77.1 Å²	77.1	39%	0.387	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-62.2	130.6	177.8	50.4	0	0	0	0	110.9	E541 G844	E541-T693 PolarHBondContact OE1-OG1 2.81Å; E541-T693 WeakPolarHBondContact OE2-CB 3.39Å; E541-T693 WeakPolarHBondContact OE2-CG2 3.07Å; E541-T693 PolarHBondContact OE2-N 2.88Å; E541-T693 VanDerWaalsContact OE2-N 3.16Å; E541-T693 PolarHBondContact OE2-OG1 2.94Å; T693-G844 CarbonylContact C-O 3.54Å; T693-G844 VanDerWaalsContact CA-O 3.26Å; T693-G844 WeakPolarHBondContact CA-O 3.47Å
694	F	79.4	Confident	84.9	Confident	92 Å²	92	77 Å²	77	40%	0.404	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-76.7	152.8	160.3	-62.4	-93.7	0	0	0	108.5	R692 V696 G844 G847 P848	R692-F694 PolarHBondContact O-N 2.88Å; F694-V696 PolarHBondContact O-N 3.3Å; F694-G844 PolarHBondContact N-O 2.62Å; F694-G844 WeakPolarHBondContact O-CA 3.38Å; F694-G847 WeakPolarHBondContact CB-O 3.46Å; F694-G847 VanDerWaalsContact CD2-CA 3.41Å; F694-G847 VanDerWaalsContact CG-C 3.5Å; F694-P848 HydrophobicContact CB-CB 4.28Å
695	P	84.8	Confident	84.6	Confident	103 Å²	103	80.5 Å²	80.5	67%	0.669	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-58.4	141.2	178.6	24.6	-34.5	0	0	0	111.4	P848 G849	P695-P848 HydrophobicContact CG-CB 4.49Å; P695-P848 WeakPolarHBondContact O-CA 3.45Å; P695-G849 PolarHBondContact O-N 2.59Å
696	V	87.3	Confident	83.8	Confident	37 Å²	37	83 Å²	83	22%	0.224	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.2	174.5	-178.5	0	0	0	0	108.5	F694 A843 G844 G849 C851	F694-V696 PolarHBondContact O-N 3.3Å; V696-A843 HydrophobicContact CG1-CB 4.05Å; V696-A843 HydrophobicContact CG2-CB 4.04Å; V696-G844 VanDerWaalsContact CG2-CA 3.43Å; V696-G844 VanDerWaalsContact CG2-N 3.26Å; V696-G849 VanDerWaalsContact CA-O 3.31Å; V696-G849 WeakPolarHBondContact CA-O 3.36Å; V696-C851 HydrophobicContact CG1-CB 3.76Å
697	E	93.2	Very high	83.4	Confident	108 Å²	108	80.9 Å²	80.9	51%	0.505	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.1	171.8	-175.8	173.7	-151.4	0	0	109.3	M699 G849 K850 C851	E697-M699 HydrophobicContact CG-SD 4.42Å; E697-G849 PolarHBondContact N-O 3.41Å; E697-K850 HydrophobicContact CB-CG 4.25Å; E697-K850 CarbonylContact O-C 3.43Å; E697-K850 WeakPolarHBondContact O-CA 3.26Å; E697-K850 WeakPolarHBondContact OE2-CE 3.28Å; E697-C851 PolarHBondContact O-N 3.18Å
698	I	93.5	Very high	83.2	Confident	70 Å²	70	79.7 Å²	79.7	36%	0.359	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.6	-176.9	-57.3	178.1	0	0	0	109	Y700 R853	I698-Y700 HydrophobicContact CG2-CD2 4.41Å; I698-Y700 HydrophobicContact CG2-CE1 4.43Å; I698-Y700 HydrophobicContact CG2-CE2 3.81Å; I698-R853 HydrophobicContact CG2-CG 4.43Å
699	M	93.3	Very high	83.2	Confident	89 Å²	89	75.6 Å²	75.6	44%	0.438	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.9	176.4	-61.5	-64.2	-80.1	0	0	109.7	E697 C851 Y852 R853	E697-M699 HydrophobicContact CG-SD 4.42Å; M699-C851 PolarHBondContact N-O 3Å; M699-Y852 HydrophobicContact CB-CD1 4.11Å; M699-Y852 HydrophobicContact CG-CD1 4.34Å; M699-Y852 HydrophobicContact CG-CE1 4.4Å; M699-R853 WeakPolarHBondContact O-CB 3.22Å; M699-R853 PolarHBondContact O-N 2.95Å
700	Y	93	Very high	83.2	Confident	64 Å²	64	77.2 Å²	77.2	25%	0.251	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.4	174.5	-61	-90.3	0	0	0	109.8	I698 R853 Y855 E857 Y860	I698-Y700 HydrophobicContact CG2-CD2 4.41Å; I698-Y700 HydrophobicContact CG2-CE1 4.43Å; I698-Y700 HydrophobicContact CG2-CE2 3.81Å; Y700-R853 HydrophobicContact CD1-CB 4.03Å; Y700-R853 HydrophobicContact CE1-CB 4.5Å; Y700-R853 VanDerWaalsContact CE1-CD 3.5Å; Y700-R853 PolarHBondContact OH-NH1 2.89Å; Y700-Y855 HydrophobicContact CD1-CD2 4.49Å; Y700-Y855 HydrophobicContact CD1-CE2 4.5Å; Y700-Y855 WeakPolarHBondContact CD1-O 3.5Å; Y700-Y855 HydrophobicContact CE1-CE2 4.38Å; Y700-E857 HydrophobicContact CD1-CB 4.1Å; Y700-E857 HydrophobicContact CD2-CB 3.97Å; Y700-E857 HydrophobicContact CD2-CG 4.25Å; Y700-E857 HydrophobicContact CE1-CB 4.26Å; Y700-E857 HydrophobicContact CE1-CG 4.25Å; Y700-E857 HydrophobicContact CE2-CB 4.14Å; Y700-E857 HydrophobicContact CE2-CG 3.9Å; Y700-E857 HydrophobicContact CG-CB 3.95Å; Y700-Y860 HydrophobicContact CE1-CD1 4.17Å; Y700-Y860 HydrophobicContact CE1-CG 4.02Å
701	T	91.4	Very high	83.7	Confident	27 Å²	27	73.9 Å²	73.9	17%	0.166	37%	0.371	C	S	.	.			trans	-69.2	153.5	167.4	57.7	0	0	0	0	110.9	E703 E705 R853 Y855 T856	T701-E703 VanDerWaalsContact CB-O 3.27Å; T701-E703 WeakPolarHBondContact CB-O 3.47Å; T701-E703 PolarHBondContact OG1-O 3.37Å; T701-E705 HydrophobicContact CG2-CG 4.08Å; T701-R853 PolarHBondContact N-O 3.29Å; T701-R853 VanDerWaalsContact N-O 3.17Å; T701-Y855 VanDerWaalsContact OG1-C 3.3Å; T701-Y855 WeakPolarHBondContact OG1-CA 3.46Å; T701-Y855 PolarHBondContact OG1-N 2.93Å; T701-T856 WeakPolarHBondContact O-CA 3.41Å
702	R	88.4	Confident	85	Confident	243 Å²	243	72.5 Å²	72.5	92%	0.917	36%	0.357	S	S	*	.	S	Bend	trans	-78.2	-33.2	176.1	-67	-177.8	178.3	178.7	-0	112.1
703	E	86.5	Confident	86.3	Confident	149 Å²	149	66.2 Å²	66.2	70%	0.696	33%	0.334	S	S	*	.	S	Bend	trans	-126.6	157.3	-177.4	-67.4	176.4	-171.6	0	0	108.7	T701	T701-E703 VanDerWaalsContact CB-O 3.27Å; T701-E703 WeakPolarHBondContact CB-O 3.47Å; T701-E703 PolarHBondContact OG1-O 3.37Å
704	P	81.4	Confident	87.7	Confident	74 Å²	74	66.3 Å²	66.3	48%	0.481	33%	0.331	S	S	.	.			trans	-75.3	125	176.2	30.1	-32.6	0	0	0	110.7
705	E	81.9	Confident	88.3	Confident	81 Å²	81	62.9 Å²	62.9	38%	0.379	32%	0.318	S	S	.	.			trans	-74	131.9	176.7	-55.9	-61.9	161.4	0	0	110.6	T701 A711 L854	T701-E705 HydrophobicContact CG2-CG 4.08Å; E705-A711 HydrophobicContact CB-CB 4.12Å; E705-A711 HydrophobicContact CG-CB 3.95Å; E705-L854 HydrophobicContact CG-CB 4.5Å
706	T	76.5	Confident	88.7	Confident	105 Å²	105	58 Å²	58	64%	0.644	29%	0.286	S	S	*	.	S	Bend	trans	-79	-39.9	-178.8	49.3	0	0	0	0	113
707	D	82.9	Confident	88.9	Confident	24 Å²	24	57.8 Å²	57.8	13%	0.128	28%	0.283	C	S	.	.			trans	-112.2	95.6	168.9	-163.4	-39.7	0	0	0	110.5	A436 L437 L709 D710 A711	A436-D707 PolarHBondContact N-OD2 3.39Å; L437-D707 WeakPolarHBondContact CB-OD2 3.2Å; L437-D707 PolarHBondContact N-OD2 2.95Å; D707-L709 PolarHBondContact O-N 3.49Å; D707-L709 WeakPolarHBondContact OD1-CA 3.34Å; D707-L709 WeakPolarHBondContact OD1-CB 3.13Å; D707-L709 PolarHBondContact OD1-N 3.46Å; D707-D710 PolarHBondContact O-N 3.21Å; D707-D710 PolarHBondContact OD1-N 3.11Å; D707-A711 PolarHBondContact O-N 3.4Å
708	Y	87.1	Confident	88.8	Confident	5 Å²	5	57.7 Å²	57.7	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-19.2	178.5	66.5	-96.5	0	0	0	113.5	S712 P809 F811	Y708-S712 VanDerWaalsContact O-CB 3.32Å; Y708-S712 WeakPolarHBondContact O-CB 3.35Å; Y708-S712 PolarHBondContact O-N 3.12Å; Y708-S712 PolarHBondContact O-OG 3.39Å; Y708-P809 HydrophobicContact CD2-CB 3.81Å; Y708-P809 HydrophobicContact CD2-CG 4.22Å; Y708-P809 HydrophobicContact CG-CB 4.16Å; Y708-F811 AromaticContact CD1-CD2 3.69Å; Y708-F811 HydrophobicContact CD1-CD2 3.69Å; Y708-F811 AromaticContact CD1-CE2 3.41Å; Y708-F811 HydrophobicContact CD1-CE2 3.41Å; Y708-F811 VanDerWaalsContact CD1-CE2 3.41Å; Y708-F811 HydrophobicContact CD1-CZ 4.36Å; Y708-F811 AromaticContact CD2-CD2 3.9Å; Y708-F811 HydrophobicContact CD2-CD2 3.9Å; Y708-F811 HydrophobicContact CD2-CE2 4.31Å; Y708-F811 AromaticContact CE1-CD2 3.86Å; Y708-F811 HydrophobicContact CE1-CD2 3.86Å; Y708-F811 AromaticContact CE1-CE2 3.92Å; Y708-F811 HydrophobicContact CE1-CE2 3.92Å; Y708-F811 HydrophobicContact CE2-CD2 4.08Å; Y708-F811 AromaticContact CG-CD2 3.71Å; Y708-F811 HydrophobicContact CG-CD2 3.71Å; Y708-F811 AromaticContact CG-CE2 3.64Å; Y708-F811 HydrophobicContact CG-CE2 3.64Å
709	L	87.9	Confident	88.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-73.8	-47.1	178.5	-174	67.4	0	0	0	109.7	A438 D707 S712 L713 L732 E737 A741	A438-L709 HydrophobicContact CB-CD2 3.92Å; D707-L709 PolarHBondContact O-N 3.49Å; D707-L709 WeakPolarHBondContact OD1-CA 3.34Å; D707-L709 WeakPolarHBondContact OD1-CB 3.13Å; D707-L709 PolarHBondContact OD1-N 3.46Å; L709-S712 WeakPolarHBondContact O-CB 3.27Å; L709-S712 PolarHBondContact O-N 2.82Å; L709-L713 WeakPolarHBondContact O-CG 3.49Å; L709-L713 PolarHBondContact O-N 3.02Å; L709-L713 VanDerWaalsContact O-N 3.14Å; L709-L732 HydrophobicContact CD1-CD1 3.7Å; L709-L732 HydrophobicContact CD1-CD2 3.83Å; L709-L732 HydrophobicContact CD1-CG 4.42Å; L709-E737 HydrophobicContact CD1-CB 4.2Å; L709-A741 HydrophobicContact CD1-CB 4.2Å
710	D	87.2	Confident	88.6	Confident	36 Å²	36	50.8 Å²	50.8	19%	0.193	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-41.1	177.9	-160.4	36.2	0	0	0	112	L437 D707 S712 L713 I714 R748	L437-D710 HydrophobicContact CD1-CB 3.97Å; D707-D710 PolarHBondContact O-N 3.21Å; D707-D710 PolarHBondContact OD1-N 3.11Å; D710-S712 PolarHBondContact O-N 3.38Å; D710-L713 PolarHBondContact O-N 2.85Å; D710-I714 WeakPolarHBondContact O-CG1 3.41Å; D710-I714 PolarHBondContact O-N 3.47Å; D710-I714 WeakPolarHBondContact OD2-CD1 3.27Å; D710-R748 IonicContact OD1-CZ 2.68Å; D710-R748 IonicContact OD1-NH1 2.99Å; D710-R748 PolarHBondContact OD1-NH1 3.08Å; D710-R748 IonicContact OD1-NH2 2.68Å; D710-R748 PolarHBondContact OD1-NH2 2.66Å; D710-R748 IonicContact OD2-NH2 3.24Å
711	A	89.3	Confident	88.4	Confident	13 Å²	13	52.2 Å²	52.2	11%	0.107	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-35.6	173.1	0	0	0	0	0	112.4	E705 D707 T715 L854	E705-A711 HydrophobicContact CB-CB 4.12Å; E705-A711 HydrophobicContact CG-CB 3.95Å; D707-A711 PolarHBondContact O-N 3.4Å; A711-T715 WeakPolarHBondContact O-CB 3.41Å; A711-T715 WeakPolarHBondContact O-CG2 3.39Å; A711-T715 PolarHBondContact O-N 2.62Å; A711-T715 PolarHBondContact O-OG1 3.15Å; A711-L854 HydrophobicContact CB-CD1 3.98Å
712	S	92.3	Very high	88.3	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-41.6	172.6	-63.1	0	0	0	0	112.1	Y708 L709 D710 T715 V716 L854	Y708-S712 VanDerWaalsContact O-CB 3.32Å; Y708-S712 WeakPolarHBondContact O-CB 3.35Å; Y708-S712 PolarHBondContact O-N 3.12Å; Y708-S712 PolarHBondContact O-OG 3.39Å; L709-S712 WeakPolarHBondContact O-CB 3.27Å; L709-S712 PolarHBondContact O-N 2.82Å; D710-S712 PolarHBondContact O-N 3.38Å; S712-T715 PolarHBondContact O-OG1 3.14Å; S712-T715 VanDerWaalsContact O-OG1 3.13Å; S712-V716 WeakPolarHBondContact O-CG2 3.27Å; S712-V716 PolarHBondContact O-N 3.49Å; S712-V716 VanDerWaalsContact O-N 3.09Å; S712-L854 VanDerWaalsContact OG-CD1 3.25Å; S712-L854 WeakPolarHBondContact OG-CD1 3.4Å
713	L	92	Very high	88.3	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-39.4	178.5	-67.7	178.9	0	0	0	112.5	L709 D710 V716 M717 A741 I744 L745	L709-L713 WeakPolarHBondContact O-CG 3.49Å; L709-L713 PolarHBondContact O-N 3.02Å; L709-L713 VanDerWaalsContact O-N 3.14Å; D710-L713 PolarHBondContact O-N 2.85Å; L713-V716 PolarHBondContact O-N 2.65Å; L713-M717 WeakPolarHBondContact O-CG 3.26Å; L713-M717 PolarHBondContact O-N 2.91Å; L713-M717 VanDerWaalsContact O-N 3.08Å; L713-A741 HydrophobicContact CD2-CB 4.07Å; L713-I744 HydrophobicContact CD1-CB 3.82Å; L713-I744 HydrophobicContact CD1-CD1 4.17Å; L713-I744 HydrophobicContact CD1-CG2 3.64Å; L713-L745 HydrophobicContact CD2-CB 4.03Å; L713-L745 HydrophobicContact CD2-CD1 4.48Å
714	I	91.6	Very high	88.3	Confident	65 Å²	65	43 Å²	43	33%	0.333	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-46.4	176.5	-69	167.6	0	0	0	110.5	D710 V716 M717 Q718	D710-I714 WeakPolarHBondContact O-CG1 3.41Å; D710-I714 PolarHBondContact O-N 3.47Å; D710-I714 WeakPolarHBondContact OD2-CD1 3.27Å; I714-V716 PolarHBondContact O-N 3.31Å; I714-M717 HydrophobicContact CG1-CE 4.18Å; I714-M717 PolarHBondContact O-N 2.76Å; I714-Q718 HydrophobicContact CG2-CG 4.47Å; I714-Q718 WeakPolarHBondContact O-CG 3.31Å; I714-Q718 PolarHBondContact O-N 3.22Å
715	T	92.6	Very high	88.5	Confident	20 Å²	20	45.4 Å²	45.4	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-36.9	177.2	48.8	0	0	0	0	112.6	A711 S712 M717 Q718 I719 L854	A711-T715 WeakPolarHBondContact O-CB 3.41Å; A711-T715 WeakPolarHBondContact O-CG2 3.39Å; A711-T715 PolarHBondContact O-N 2.62Å; A711-T715 PolarHBondContact O-OG1 3.15Å; S712-T715 PolarHBondContact O-OG1 3.14Å; S712-T715 VanDerWaalsContact O-OG1 3.13Å; T715-M717 PolarHBondContact O-N 3.46Å; T715-Q718 PolarHBondContact O-N 2.95Å; T715-I719 WeakPolarHBondContact O-CB 3.39Å; T715-I719 WeakPolarHBondContact O-CD1 3.46Å; T715-I719 WeakPolarHBondContact O-CG1 3.28Å; T715-I719 PolarHBondContact O-N 3.44Å; T715-L854 HydrophobicContact CG2-CD2 3.87Å
716	V	93.9	Very high	88.8	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-45.9	171.1	167.2	0	0	0	0	112.1	S712 L713 I714 H720 I728 V730 L745 V787 V807	S712-V716 WeakPolarHBondContact O-CG2 3.27Å; S712-V716 PolarHBondContact O-N 3.49Å; S712-V716 VanDerWaalsContact O-N 3.09Å; L713-V716 PolarHBondContact O-N 2.65Å; I714-V716 PolarHBondContact O-N 3.31Å; V716-H720 WeakPolarHBondContact O-CB 3.44Å; V716-H720 PolarHBondContact O-N 2.96Å; V716-I728 HydrophobicContact CG1-CD1 4.25Å; V716-I728 HydrophobicContact CG2-CG2 4.3Å; V716-V730 HydrophobicContact CG2-CG2 3.39Å; V716-L745 HydrophobicContact CG1-CD1 4.09Å; V716-L745 HydrophobicContact CG1-CD2 4.01Å; V716-V787 HydrophobicContact CG1-CG1 4.15Å; V716-V787 HydrophobicContact CG1-CG2 4.04Å; V716-V807 HydrophobicContact CG2-CG2 4.26Å
717	M	91.2	Very high	89.5	Confident	32 Å²	32	37.6 Å²	37.6	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-41	177.7	-67.8	-177.4	-60.3	0	0	112	L713 I714 T715 H720 L721 L745 R748	L713-M717 WeakPolarHBondContact O-CG 3.26Å; L713-M717 PolarHBondContact O-N 2.91Å; L713-M717 VanDerWaalsContact O-N 3.08Å; I714-M717 HydrophobicContact CG1-CE 4.18Å; I714-M717 PolarHBondContact O-N 2.76Å; T715-M717 PolarHBondContact O-N 3.46Å; M717-H720 PolarHBondContact O-N 3.13Å; M717-L721 WeakPolarHBondContact O-CB 3.44Å; M717-L721 WeakPolarHBondContact O-CG 3.41Å; M717-L721 PolarHBondContact O-N 3.13Å; M717-L745 HydrophobicContact CG-CD1 4Å; M717-R748 HydrophobicContact SD-CB 3.79Å; M717-R748 HydrophobicContact SD-CG 4.3Å
718	Q	91.2	Very high	90.1	Very high	106 Å²	106	36.5 Å²	36.5	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-59.2	-51.6	175	-72.8	171.8	-6.3	0	0	111.3	I714 T715 H720 L721 T722	I714-Q718 HydrophobicContact CG2-CG 4.47Å; I714-Q718 WeakPolarHBondContact O-CG 3.31Å; I714-Q718 PolarHBondContact O-N 3.22Å; T715-Q718 PolarHBondContact O-N 2.95Å; Q718-H720 VanDerWaalsContact C-N 3.28Å; Q718-H720 PolarHBondContact O-N 3.44Å; Q718-L721 PolarHBondContact O-N 3.2Å; Q718-T722 PolarHBondContact O-N 3.32Å; Q718-T722 PolarHBondContact O-OG1 3.26Å
719	I	92.3	Very high	90.4	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-41.6	176.7	-65.2	159.8	0	0	0	110.6	T715 L721 E723 I728 R785 Y805 V807 Y852	T715-I719 WeakPolarHBondContact O-CB 3.39Å; T715-I719 WeakPolarHBondContact O-CD1 3.46Å; T715-I719 WeakPolarHBondContact O-CG1 3.28Å; T715-I719 PolarHBondContact O-N 3.44Å; I719-L721 VanDerWaalsContact C-N 3.32Å; I719-L721 PolarHBondContact O-N 3.05Å; I719-E723 HydrophobicContact CB-CG 4.48Å; I719-E723 HydrophobicContact CG2-CB 4.1Å; I719-E723 HydrophobicContact CG2-CG 4.24Å; I719-E723 WeakPolarHBondContact O-CB 3.36Å; I719-E723 PolarHBondContact O-N 3.38Å; I719-E723 VanDerWaalsContact O-N 3.16Å; I719-I728 HydrophobicContact CB-CD1 3.98Å; I719-I728 HydrophobicContact CG2-CD1 3.59Å; I719-I728 HydrophobicContact CG2-CG1 4.03Å; I719-R785 PolarHBondContact O-NH2 3.36Å; I719-Y805 HydrophobicContact CG2-CD1 3.73Å; I719-Y805 HydrophobicContact CG2-CD2 3.95Å; I719-Y805 HydrophobicContact CG2-CE1 4.26Å; I719-Y805 HydrophobicContact CG2-CE2 4.48Å; I719-Y805 HydrophobicContact CG2-CG 3.56Å; I719-V807 HydrophobicContact CD1-CG2 3.69Å; I719-Y852 HydrophobicContact CD1-CD2 3.52Å; I719-Y852 HydrophobicContact CD1-CE2 3.43Å; I719-Y852 VanDerWaalsContact CD1-CE2 3.43Å; I719-Y852 HydrophobicContact CD1-CG 4.26Å; I719-Y852 HydrophobicContact CG1-CD2 4.22Å; I719-Y852 HydrophobicContact CG1-CE2 3.66Å
720	H	90	Very high	90.8	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.046	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-40	179.9	-176.8	60.2	0	0	0	112.9	V716 M717 Q718 P757 E758 L759 R785	V716-H720 WeakPolarHBondContact O-CB 3.44Å; V716-H720 PolarHBondContact O-N 2.96Å; M717-H720 PolarHBondContact O-N 3.13Å; Q718-H720 VanDerWaalsContact C-N 3.28Å; Q718-H720 PolarHBondContact O-N 3.44Å; H720-P757 WeakPolarHBondContact NE2-CB 3.4Å; H720-P757 PolarHBondContact NE2-O 3.08Å; H720-E758 PolarHBondContact NE2-O 2.91Å; H720-L759 HydrophobicContact CB-CD1 4.39Å; H720-L759 WeakPolarHBondContact CE1-CD1 3.37Å; H720-L759 WeakPolarHBondContact ND1-CD1 3.4Å; H720-R785 WeakPolarHBondContact CE1-CB 3.49Å; H720-R785 WeakPolarHBondContact CE1-CD 3.33Å; H720-R785 WeakPolarHBondContact CE1-CG 3.25Å; H720-R785 PolarHBondContact CE1-NE 3.11Å; H720-R785 WeakPolarHBondContact ND1-CD 3.44Å; H720-R785 PolarHBondContact ND1-NE 3.46Å; H720-R785 VanDerWaalsContact ND1-NE 3.12Å; H720-R785 WeakPolarHBondContact NE2-CB 3.4Å; H720-R785 PolarHBondContact O-NH2 3.36Å
721	L	88.1	Confident	91.2	Very high	93 Å²	93	34.8 Å²	34.8	49%	0.487	20%	0.199	S	C	.	.	H	α-helix	trans	-86.1	-31.2	-175.7	-66.9	170.7	0	0	0	114.7	M717 Q718 I719 V756	M717-L721 WeakPolarHBondContact O-CB 3.44Å; M717-L721 WeakPolarHBondContact O-CG 3.41Å; M717-L721 PolarHBondContact O-N 3.13Å; Q718-L721 PolarHBondContact O-N 3.2Å; I719-L721 VanDerWaalsContact C-N 3.32Å; I719-L721 PolarHBondContact O-N 3.05Å; L721-V756 HydrophobicContact CD2-CB 4.44Å; L721-V756 HydrophobicContact CD2-CG1 3.7Å; L721-V756 HydrophobicContact CD2-CG2 3.84Å
722	T	89.2	Confident	91.3	Very high	109 Å²	109	34.4 Å²	34.4	67%	0.669	20%	0.195	S	C	*	.	H	α-helix	trans	-113	-23.1	-171.2	69.1	0	0	0	0	115.2	Q718	Q718-T722 PolarHBondContact O-N 3.32Å; Q718-T722 PolarHBondContact O-OG1 3.26Å
723	E	89.5	Confident	91.2	Very high	38 Å²	38	34.8 Å²	34.8	18%	0.178	20%	0.198	C	C	.	.	S	Bend	trans	-96.9	151.1	-174.8	-68.6	-79.5	171.1	0	0	112.5	I719 R785 Y805 K850 Y852	I719-E723 HydrophobicContact CB-CG 4.48Å; I719-E723 HydrophobicContact CG2-CB 4.1Å; I719-E723 HydrophobicContact CG2-CG 4.24Å; I719-E723 WeakPolarHBondContact O-CB 3.36Å; I719-E723 PolarHBondContact O-N 3.38Å; I719-E723 VanDerWaalsContact O-N 3.16Å; E723-R785 PolarHBondContact O-NH2 3.31Å; E723-Y805 HydrophobicContact CB-CE1 3.72Å; E723-Y805 HydrophobicContact CG-CE1 3.93Å; E723-K850 IonicContact OE1-NZ 3.84Å; E723-K850 PolarHBondContact OE1-NZ 2.79Å; E723-K850 IonicContact OE2-NZ 2.71Å; E723-K850 PolarHBondContact OE2-NZ 3.23Å; E723-Y852 PolarHBondContact OE1-OH 3.41Å
724	P	86.8	Confident	90.9	Very high	79 Å²	79	35.1 Å²	35.1	51%	0.513	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-48.2	162.4	173.7	-31.2	36.9	0	0	0	115.6	G726 R785 Y805	P724-G726 PolarHBondContact O-N 3.39Å; P724-R785 PolarHBondContact O-NH1 3.35Å; P724-Y805 WeakPolarHBondContact CD-OH 3.38Å; P724-Y805 WeakPolarHBondContact O-CE2 3.39Å; P724-Y805 PolarHBondContact O-OH 3.4Å
725	P	85.6	Confident	90.6	Very high	124 Å²	124	36 Å²	36	81%	0.805	21%	0.205	S	C	*	.	S	Bend	trans	-64	125.7	-179.6	26	-35.1	0	0	0	112
726	G	87.7	Confident	90	Very high	10 Å²	10	41.6 Å²	41.6	10%	0.103	23%	0.23	C	C	.	.			trans	175.6	146.9	177.9	0	0	0	0	0	110.1	P724 R785 Y805	P724-G726 PolarHBondContact O-N 3.39Å; G726-R785 VanDerWaalsContact O-CD 3.31Å; G726-R785 WeakPolarHBondContact O-CD 3.29Å; G726-R785 VanDerWaalsContact O-CG 3.23Å; G726-R785 WeakPolarHBondContact O-CG 3.43Å; G726-R785 PolarHBondContact O-NH1 3.38Å; G726-Y805 WeakPolarHBondContact O-CD2 3.4Å
727	D	92.5	Very high	89.7	Confident	13 Å²	13	42.3 Å²	42.3	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	153.3	-175.1	-60.9	-47.1	0	0	0	111.7	K786 G802 I803 F804 Y805	D727-K786 WeakPolarHBondContact CA-O 3.18Å; D727-K786 HydrophobicContact CB-CD 4.27Å; D727-K786 HydrophobicContact CB-CG 3.91Å; D727-K786 WeakPolarHBondContact OD1-CG 3.46Å; D727-K786 PolarHBondContact OD1-N 3.4Å; D727-K786 WeakPolarHBondContact OD2-CD 3.45Å; D727-K786 WeakPolarHBondContact OD2-CE 3.41Å; D727-K786 IonicContact OD2-NZ 3.23Å; D727-K786 PolarHBondContact OD2-NZ 3.29Å; D727-G802 WeakPolarHBondContact CA-O 3.38Å; D727-G802 WeakPolarHBondContact CB-O 3.11Å; D727-G802 PolarHBondContact N-O 3.15Å; D727-I803 WeakPolarHBondContact O-CA 3.48Å; D727-F804 PolarHBondContact O-N 2.87Å; D727-Y805 PolarHBondContact O-N 3.28Å; D727-Y805 VanDerWaalsContact O-N 3.15Å
728	I	94.2	Very high	89.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.7	-176.3	-44.9	179.1	0	0	0	109.6	V716 I719 V730 K786 V787 V788 Y805 V807	V716-I728 HydrophobicContact CG1-CD1 4.25Å; V716-I728 HydrophobicContact CG2-CG2 4.3Å; I719-I728 HydrophobicContact CB-CD1 3.98Å; I719-I728 HydrophobicContact CG2-CD1 3.59Å; I719-I728 HydrophobicContact CG2-CG1 4.03Å; I728-V730 HydrophobicContact CG2-CG2 4.24Å; I728-K786 PolarHBondContact N-O 3.02Å; I728-V787 HydrophobicContact CB-CG1 4.47Å; I728-V787 HydrophobicContact CB-CG2 4.22Å; I728-V787 HydrophobicContact CD1-CG2 4.17Å; I728-V787 HydrophobicContact CG1-CG2 4.42Å; I728-V787 WeakPolarHBondContact O-CA 3.49Å; I728-V788 PolarHBondContact O-N 3.04Å; I728-Y805 CarbonylContact C-O 3.57Å; I728-Y805 WeakPolarHBondContact CA-O 3.47Å; I728-V807 HydrophobicContact CG2-CG2 4.23Å
729	L	94.5	Very high	89.4	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122	169.2	176.4	65.6	0	0	0	110	F731 V788 A790 A794 I803 Y805 V806 V807 R842	L729-F731 HydrophobicContact CD2-CE1 4.43Å; L729-F731 HydrophobicContact CD2-CE2 3.69Å; L729-F731 HydrophobicContact CD2-CZ 3.57Å; L729-F731 HydrophobicContact CG-CE2 4Å; L729-F731 HydrophobicContact CG-CZ 4.19Å; L729-V788 WeakPolarHBondContact CA-O 3.39Å; L729-V788 HydrophobicContact CD1-CB 3.96Å; L729-V788 HydrophobicContact CD1-CG1 3.91Å; L729-A790 HydrophobicContact CD1-CB 3.9Å; L729-A794 HydrophobicContact CD1-CB 4.02Å; L729-A794 HydrophobicContact CD2-CB 4.15Å; L729-I803 HydrophobicContact CB-CD1 3.85Å; L729-I803 HydrophobicContact CB-CG1 4.31Å; L729-I803 HydrophobicContact CB-CG2 3.94Å; L729-I803 HydrophobicContact CD2-CD1 3.91Å; L729-I803 HydrophobicContact CG-CD1 4.34Å; L729-Y805 PolarHBondContact N-O 2.86Å; L729-V806 HydrophobicContact CB-CG2 4.37Å; L729-V806 CarbonylContact O-C 3.58Å; L729-V806 WeakPolarHBondContact O-CA 3.46Å; L729-V807 PolarHBondContact O-N 2.88Å; L729-R842 HydrophobicContact CD2-CB 3.9Å; L729-R842 HydrophobicContact CD2-CG 3.84Å
730	V	95.1	Very high	89.1	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.7	178.6	-170.4	0	0	0	0	109.1	V716 I728 L732 V787 V788 I789 A790 V807	V716-V730 HydrophobicContact CG2-CG2 3.39Å; I728-V730 HydrophobicContact CG2-CG2 4.24Å; V730-L732 HydrophobicContact CG1-CD2 4.29Å; V730-L732 HydrophobicContact CG1-CG 4.24Å; V730-V787 HydrophobicContact CG2-CG1 3.94Å; V730-V788 PolarHBondContact N-O 3.07Å; V730-I789 HydrophobicContact CB-CG1 4.44Å; V730-I789 HydrophobicContact CB-CG2 4.37Å; V730-I789 HydrophobicContact CG2-CG1 4.45Å; V730-A790 PolarHBondContact O-N 2.99Å; V730-V807 HydrophobicContact CG1-CB 4.33Å; V730-V807 HydrophobicContact CG1-CG1 4.43Å; V730-V807 HydrophobicContact CG2-CB 4.39Å
731	F	94.9	Very high	89.1	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	109.9	175.4	-72.9	-81.4	0	0	0	111.4	L729 A790 A794 E795 V806 V807 P809 R839 R842	L729-F731 HydrophobicContact CD2-CE1 4.43Å; L729-F731 HydrophobicContact CD2-CE2 3.69Å; L729-F731 HydrophobicContact CD2-CZ 3.57Å; L729-F731 HydrophobicContact CG-CE2 4Å; L729-F731 HydrophobicContact CG-CZ 4.19Å; F731-A790 CarbonylContact C-O 3.57Å; F731-A790 WeakPolarHBondContact CA-O 3.49Å; F731-A794 HydrophobicContact CE1-CB 3.97Å; F731-A794 HydrophobicContact CZ-CB 4.35Å; F731-E795 HydrophobicContact CE1-CB 4.19Å; F731-V806 HydrophobicContact CD2-CG1 4.11Å; F731-V806 HydrophobicContact CE2-CG1 3.91Å; F731-V807 PolarHBondContact N-O 2.83Å; F731-V807 VanDerWaalsContact N-O 3.07Å; F731-P809 WeakPolarHBondContact O-CD 3.33Å; F731-P809 WeakPolarHBondContact O-CG 3.3Å; F731-R839 HydrophobicContact CD1-CG 4.25Å; F731-R839 HydrophobicContact CD2-CB 4.07Å; F731-R839 HydrophobicContact CD2-CG 3.93Å; F731-R839 HydrophobicContact CE1-CG 3.99Å; F731-R839 HydrophobicContact CE2-CB 3.62Å; F731-R839 HydrophobicContact CE2-CG 3.65Å; F731-R839 HydrophobicContact CG-CG 4.21Å; F731-R839 HydrophobicContact CZ-CB 4.02Å; F731-R839 HydrophobicContact CZ-CG 3.68Å; F731-R842 HydrophobicContact CZ-CG 4.12Å
732	L	93.1	Very high	89.2	Confident	5 Å²	5	33 Å²	33	3%	0.026	19%	0.189	C	C	.	.			trans	-113.8	166.8	171.4	-62.3	-176.5	0	0	0	111	L709 V730 E737 I738 A741 I789 A790 T791	L709-L732 HydrophobicContact CD1-CD1 3.7Å; L709-L732 HydrophobicContact CD1-CD2 3.83Å; L709-L732 HydrophobicContact CD1-CG 4.42Å; V730-L732 HydrophobicContact CG1-CD2 4.29Å; V730-L732 HydrophobicContact CG1-CG 4.24Å; L732-E737 HydrophobicContact CB-CB 4.44Å; L732-E737 HydrophobicContact CD1-CB 4.33Å; L732-I738 HydrophobicContact CB-CG1 3.86Å; L732-I738 HydrophobicContact CD1-CG1 4.18Å; L732-A741 HydrophobicContact CD1-CB 3.62Å; L732-I789 HydrophobicContact CD1-CG2 3.48Å; L732-I789 VanDerWaalsContact CD1-CG2 3.48Å; L732-I789 HydrophobicContact CG-CG2 3.93Å; L732-A790 PolarHBondContact N-O 3.05Å; L732-T791 WeakPolarHBondContact O-CA 3.35Å
733	T	89.5	Confident	89.1	Confident	10 Å²	10	29.1 Å²	29.1	6%	0.061	16%	0.164	C	C	.	.	S	Bend	trans	-87.8	-30.2	-166.3	85	0	0	0	0	114	E737 F811 K813 V828	T733-E737 WeakPolarHBondContact CA-OE2 3.37Å; T733-E737 VanDerWaalsContact CB-OE2 3.25Å; T733-E737 WeakPolarHBondContact CB-OE2 3.45Å; T733-E737 WeakPolarHBondContact CG2-OE2 3.49Å; T733-E737 PolarHBondContact N-OE2 3.45Å; T733-E737 PolarHBondContact OG1-OE1 2.84Å; T733-E737 PolarHBondContact OG1-OE2 3Å; T733-F811 HydrophobicContact CG2-CB 3.62Å; T733-K813 VanDerWaalsContact OG1-CD 3.29Å; T733-K813 WeakPolarHBondContact OG1-CD 3.44Å; T733-K813 WeakPolarHBondContact OG1-CE 3.38Å; T733-K813 PolarHBondContact OG1-NZ 3.31Å; T733-K813 VanDerWaalsContact OG1-NZ 3.1Å; T733-V828 HydrophobicContact CG2-CG1 4.29Å
734	G	86.1	Confident	89.1	Confident	12 Å²	12	27.4 Å²	27.4	12%	0.124	16%	0.156	C	C	.	.	S	Bend	trans	-163.7	176.4	-176.8	0	0	0	0	0	115.6	E736 E737 I738	G734-E736 PolarHBondContact O-N 2.65Å; G734-E737 PolarHBondContact N-OE2 2.87Å; G734-E737 PolarHBondContact O-N 2.81Å; G734-I738 WeakPolarHBondContact O-CG1 3.48Å; G734-I738 PolarHBondContact O-N 3.22Å; G734-I738 VanDerWaalsContact O-N 3.13Å
735	Q	83.9	Confident	89.2	Confident	83 Å²	83	23.6 Å²	23.6	39%	0.388	13%	0.131	S	C	.	.	H	α-helix	trans	-58.5	-44.4	-171.4	178.1	176.8	-10	0	0	113.6	E737 I738 D739 Y765	Q735-E737 VanDerWaalsContact C-N 3.33Å; Q735-E737 PolarHBondContact O-N 2.76Å; Q735-I738 PolarHBondContact O-N 2.88Å; Q735-I738 VanDerWaalsContact O-N 3.09Å; Q735-D739 WeakPolarHBondContact CG-OD2 3.32Å; Q735-D739 PolarHBondContact NE2-OD2 3.02Å; Q735-D739 PolarHBondContact O-N 2.83Å; Q735-Y765 HydrophobicContact CB-CD2 4.18Å; Q735-Y765 HydrophobicContact CB-CE2 4.29Å; Q735-Y765 HydrophobicContact CB-CG 4.3Å; Q735-Y765 HydrophobicContact CG-CD1 4.33Å; Q735-Y765 HydrophobicContact CG-CD2 4.08Å; Q735-Y765 HydrophobicContact CG-CE1 3.97Å; Q735-Y765 HydrophobicContact CG-CE2 3.68Å; Q735-Y765 HydrophobicContact CG-CG 4.39Å; Q735-Y765 PolarHBondContact NE2-OH 3.19Å
736	E	81.6	Confident	89.3	Confident	139 Å²	139	19.5 Å²	19.5	65%	0.65	10%	0.1	S	C	*	.	H	α-helix	trans	-63.1	-39.2	-174.9	-62	-169.6	176.3	0	0	112	R442 G734 T740	R442-E736 IonicContact NH1-OE2 4Å; G734-E736 PolarHBondContact O-N 2.65Å; E736-T740 WeakPolarHBondContact O-CB 3.22Å; E736-T740 PolarHBondContact O-N 3.29Å; E736-T740 VanDerWaalsContact O-N 3.11Å; E736-T740 PolarHBondContact O-OG1 3.22Å
737	E	86.9	Confident	89.3	Confident	16 Å²	16	22.9 Å²	22.9	8%	0.075	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-43.5	170.6	-71.9	139.8	-121.1	0	0	111.8	L709 L732 T733 G734 Q735 T740 A741 K813	L709-E737 HydrophobicContact CD1-CB 4.2Å; L732-E737 HydrophobicContact CB-CB 4.44Å; L732-E737 HydrophobicContact CD1-CB 4.33Å; T733-E737 WeakPolarHBondContact CA-OE2 3.37Å; T733-E737 VanDerWaalsContact CB-OE2 3.25Å; T733-E737 WeakPolarHBondContact CB-OE2 3.45Å; T733-E737 WeakPolarHBondContact CG2-OE2 3.49Å; T733-E737 PolarHBondContact N-OE2 3.45Å; T733-E737 PolarHBondContact OG1-OE1 2.84Å; T733-E737 PolarHBondContact OG1-OE2 3Å; G734-E737 PolarHBondContact N-OE2 2.87Å; G734-E737 PolarHBondContact O-N 2.81Å; Q735-E737 VanDerWaalsContact C-N 3.33Å; Q735-E737 PolarHBondContact O-N 2.76Å; E737-T740 PolarHBondContact O-N 3.12Å; E737-A741 WeakPolarHBondContact O-CB 3.49Å; E737-A741 PolarHBondContact O-N 3.09Å; E737-K813 IonicContact OE1-NZ 3.22Å; E737-K813 PolarHBondContact OE1-NZ 2.84Å
738	I	89.6	Confident	89	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-48.2	-177.2	-66.7	171.1	0	0	0	111.4	L732 G734 Q735 T740 A741 C742 P763 Y765 I789 T791	L732-I738 HydrophobicContact CB-CG1 3.86Å; L732-I738 HydrophobicContact CD1-CG1 4.18Å; G734-I738 WeakPolarHBondContact O-CG1 3.48Å; G734-I738 PolarHBondContact O-N 3.22Å; G734-I738 VanDerWaalsContact O-N 3.13Å; Q735-I738 PolarHBondContact O-N 2.88Å; Q735-I738 VanDerWaalsContact O-N 3.09Å; I738-T740 VanDerWaalsContact C-N 3.3Å; I738-T740 PolarHBondContact O-N 3.3Å; I738-A741 PolarHBondContact O-N 3.49Å; I738-C742 WeakPolarHBondContact O-CB 3.39Å; I738-C742 PolarHBondContact O-N 2.96Å; I738-C742 PolarHBondContact O-SG 3.41Å; I738-P763 HydrophobicContact CG2-CB 3.49Å; I738-P763 VanDerWaalsContact CG2-CB 3.49Å; I738-Y765 HydrophobicContact CB-CD1 4.44Å; I738-Y765 HydrophobicContact CD1-CD1 4.28Å; I738-Y765 HydrophobicContact CG2-CD1 4.07Å; I738-Y765 HydrophobicContact CG2-CE1 4.27Å; I738-I789 HydrophobicContact CB-CG2 4.46Å; I738-I789 HydrophobicContact CG1-CG2 4.09Å; I738-I789 HydrophobicContact CG2-CB 4.33Å; I738-I789 HydrophobicContact CG2-CG2 4.11Å; I738-T791 HydrophobicContact CD1-CG2 3.56Å
739	D	87	Confident	88.6	Confident	24 Å²	24	26.5 Å²	26.5	13%	0.128	13%	0.128	C	C	.	.	H	α-helix	trans	-60.4	-40.8	175.9	-88.5	-41.7	0	0	0	110.5	W491 K492 Q735 E743	W491-D739 WeakPolarHBondContact CH2-OD1 3.47Å; K492-D739 WeakPolarHBondContact CE-OD1 3.29Å; K492-D739 IonicContact NZ-OD1 3.69Å; K492-D739 PolarHBondContact NZ-OD1 2.91Å; K492-D739 IonicContact NZ-OD2 3.9Å; Q735-D739 WeakPolarHBondContact CG-OD2 3.32Å; Q735-D739 PolarHBondContact NE2-OD2 3.02Å; Q735-D739 PolarHBondContact O-N 2.83Å; D739-E743 WeakPolarHBondContact O-CG 3.43Å; D739-E743 PolarHBondContact O-N 2.78Å; D739-E743 VanDerWaalsContact O-N 3.09Å
740	T	86.2	Confident	88.1	Confident	25 Å²	25	31.7 Å²	31.7	15%	0.153	15%	0.15	C	C	.	.	H	α-helix	trans	-70	-40.9	178	-57.1	0	0	0	0	112.6	E736 E737 I738 C742 E743 I744	E736-T740 WeakPolarHBondContact O-CB 3.22Å; E736-T740 PolarHBondContact O-N 3.29Å; E736-T740 VanDerWaalsContact O-N 3.11Å; E736-T740 PolarHBondContact O-OG1 3.22Å; E737-T740 PolarHBondContact O-N 3.12Å; I738-T740 VanDerWaalsContact C-N 3.3Å; I738-T740 PolarHBondContact O-N 3.3Å; T740-C742 VanDerWaalsContact C-N 3.35Å; T740-E743 PolarHBondContact O-N 3.38Å; T740-I744 HydrophobicContact CG2-CD1 3.73Å; T740-I744 HydrophobicContact CG2-CG1 4.48Å; T740-I744 WeakPolarHBondContact O-CD1 3.23Å; T740-I744 WeakPolarHBondContact O-CG1 3.49Å; T740-I744 PolarHBondContact O-N 2.85Å
741	A	90.2	Very high	87.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-40	175.6	0	0	0	0	0	111.8	L709 L713 L732 E737 I738 L745 I789	L709-A741 HydrophobicContact CD1-CB 4.2Å; L713-A741 HydrophobicContact CD2-CB 4.07Å; L732-A741 HydrophobicContact CD1-CB 3.62Å; E737-A741 WeakPolarHBondContact O-CB 3.49Å; E737-A741 PolarHBondContact O-N 3.09Å; I738-A741 PolarHBondContact O-N 3.49Å; A741-L745 WeakPolarHBondContact O-CB 3.36Å; A741-L745 PolarHBondContact O-N 2.86Å; A741-I789 HydrophobicContact CB-CD1 4.28Å
742	C	90.1	Very high	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-42.2	174.1	-65.5	0	0	0	0	111.8	W491 I738 T740 F746 I761	W491-C742 HydrophobicContact CD2-CB 4.14Å; W491-C742 HydrophobicContact CE3-CB 3.76Å; W491-C742 HydrophobicContact CH2-CB 3.28Å; W491-C742 HydrophobicContact CZ2-CB 3.69Å; W491-C742 HydrophobicContact CZ3-CB 3.35Å; I738-C742 WeakPolarHBondContact O-CB 3.39Å; I738-C742 PolarHBondContact O-N 2.96Å; I738-C742 PolarHBondContact O-SG 3.41Å; T740-C742 VanDerWaalsContact C-N 3.35Å; C742-F746 VanDerWaalsContact O-CB 3.26Å; C742-F746 WeakPolarHBondContact O-CB 3.48Å; C742-F746 PolarHBondContact O-N 3.32Å; C742-I761 HydrophobicContact CB-CG2 3.99Å; C742-I761 VanDerWaalsContact SG-CG2 3.6Å
743	E	87.1	Confident	86.1	Confident	27 Å²	27	40.8 Å²	40.8	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-52.5	174.6	-76.1	174.2	-168	0	0	111.2	K445 W491 D739 T740 F746 E747	K445-E743 IonicContact NZ-OE2 3.35Å; K445-E743 PolarHBondContact NZ-OE2 2.74Å; W491-E743 HydrophobicContact CZ2-CG 4.19Å; D739-E743 WeakPolarHBondContact O-CG 3.43Å; D739-E743 PolarHBondContact O-N 2.78Å; D739-E743 VanDerWaalsContact O-N 3.09Å; T740-E743 PolarHBondContact O-N 3.38Å; E743-F746 PolarHBondContact O-N 3.38Å; E743-E747 WeakPolarHBondContact O-CG 3.38Å; E743-E747 PolarHBondContact O-N 3.06Å
744	I	88.8	Confident	85.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-41.4	-178.3	-62.1	157.6	0	0	0	111.8	L437 L713 T740 F746 E747 R748	L437-I744 HydrophobicContact CD2-CD1 3.36Å; L713-I744 HydrophobicContact CD1-CB 3.82Å; L713-I744 HydrophobicContact CD1-CD1 4.17Å; L713-I744 HydrophobicContact CD1-CG2 3.64Å; T740-I744 HydrophobicContact CG2-CD1 3.73Å; T740-I744 HydrophobicContact CG2-CG1 4.48Å; T740-I744 WeakPolarHBondContact O-CD1 3.23Å; T740-I744 WeakPolarHBondContact O-CG1 3.49Å; T740-I744 PolarHBondContact O-N 2.85Å; I744-F746 VanDerWaalsContact C-N 3.32Å; I744-F746 PolarHBondContact O-N 3.34Å; I744-E747 PolarHBondContact O-N 2.91Å; I744-R748 HydrophobicContact CG2-CG 4.28Å; I744-R748 WeakPolarHBondContact O-CB 3.49Å; I744-R748 VanDerWaalsContact O-CG 3.31Å; I744-R748 WeakPolarHBondContact O-CG 3.49Å; I744-R748 PolarHBondContact O-N 3.17Å
745	L	89.6	Confident	84.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-36.6	178.8	-173	60.4	0	0	0	111.3	L713 V716 M717 A741 M749 L759 I761 V787 I789	L713-L745 HydrophobicContact CD2-CB 4.03Å; L713-L745 HydrophobicContact CD2-CD1 4.48Å; V716-L745 HydrophobicContact CG1-CD1 4.09Å; V716-L745 HydrophobicContact CG1-CD2 4.01Å; M717-L745 HydrophobicContact CG-CD1 4Å; A741-L745 WeakPolarHBondContact O-CB 3.36Å; A741-L745 PolarHBondContact O-N 2.86Å; L745-M749 HydrophobicContact CD1-CG 4.48Å; L745-M749 WeakPolarHBondContact O-CB 3.48Å; L745-M749 VanDerWaalsContact O-CG 3.25Å; L745-M749 WeakPolarHBondContact O-CG 3.38Å; L745-M749 PolarHBondContact O-N 3.18Å; L745-L759 HydrophobicContact CD1-CD2 4.07Å; L745-L759 HydrophobicContact CD2-CD2 4.08Å; L745-L759 HydrophobicContact CG-CD2 4.11Å; L745-I761 HydrophobicContact CB-CD1 3.92Å; L745-I761 HydrophobicContact CD2-CD1 3.96Å; L745-I761 HydrophobicContact CD2-CG1 3.95Å; L745-I761 HydrophobicContact CD2-CG2 4.5Å; L745-I761 HydrophobicContact CG-CD1 3.77Å; L745-I761 HydrophobicContact CG-CG1 4.28Å; L745-V787 HydrophobicContact CD2-CG1 4.31Å; L745-I789 HydrophobicContact CD2-CD1 4.19Å
746	F	87.5	Confident	84.7	Confident	37 Å²	37	50.6 Å²	50.6	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-69.5	-42.5	174.9	-171.5	-101.2	0	0	0	112.2	E490 W491 C742 E743 I744 K750 I761	E490-F746 HydrophobicContact CB-CE1 4Å; E490-F746 HydrophobicContact CB-CZ 4.33Å; E490-F746 HydrophobicContact CG-CE1 4.26Å; E490-F746 HydrophobicContact CG-CZ 4.23Å; W491-F746 HydrophobicContact CB-CB 3.98Å; W491-F746 HydrophobicContact CB-CD1 3.79Å; W491-F746 HydrophobicContact CB-CD2 3.74Å; W491-F746 HydrophobicContact CB-CE1 4.13Å; W491-F746 HydrophobicContact CB-CE2 4.09Å; W491-F746 HydrophobicContact CB-CG 3.57Å; W491-F746 HydrophobicContact CB-CZ 4.26Å; C742-F746 VanDerWaalsContact O-CB 3.26Å; C742-F746 WeakPolarHBondContact O-CB 3.48Å; C742-F746 PolarHBondContact O-N 3.32Å; E743-F746 PolarHBondContact O-N 3.38Å; I744-F746 VanDerWaalsContact C-N 3.32Å; I744-F746 PolarHBondContact O-N 3.34Å; F746-K750 HydrophobicContact CD1-CD 4.32Å; F746-K750 HydrophobicContact CE1-CD 3.92Å; F746-K750 HydrophobicContact CZ-CD 4.43Å; F746-K750 WeakPolarHBondContact O-CG 3.16Å; F746-K750 PolarHBondContact O-N 2.78Å; F746-I761 HydrophobicContact CB-CD1 3.97Å; F746-I761 HydrophobicContact CD2-CD1 4.45Å
747	E	87.1	Confident	84.5	Confident	82 Å²	82	47.3 Å²	47.3	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-57.3	-48.2	171.5	-73.7	173.5	-160.6	0	0	111.3	R441 E743 I744 K750 S751	R441-E747 IonicContact CZ-OE2 3.17Å; R441-E747 VanDerWaalsContact CZ-OE2 3.23Å; R441-E747 IonicContact NH1-OE1 2.9Å; R441-E747 PolarHBondContact NH1-OE1 3.49Å; R441-E747 VanDerWaalsContact NH1-OE1 3.08Å; R441-E747 IonicContact NH1-OE2 2.99Å; R441-E747 PolarHBondContact NH1-OE2 3.19Å; R441-E747 IonicContact NH2-OE2 2.76Å; R441-E747 PolarHBondContact NH2-OE2 2.82Å; E743-E747 WeakPolarHBondContact O-CG 3.38Å; E743-E747 PolarHBondContact O-N 3.06Å; I744-E747 PolarHBondContact O-N 2.91Å; E747-K750 PolarHBondContact O-N 3.37Å; E747-S751 PolarHBondContact O-N 3.36Å; E747-S751 VanDerWaalsContact O-N 3.1Å
748	R	87	Confident	84.4	Confident	60 Å²	60	52.1 Å²	52.1	23%	0.226	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-43.6	179.9	-72.9	178.4	176	171.5	-1.5	112.6	D710 M717 I744 K750 S751 L752	D710-R748 IonicContact OD1-CZ 2.68Å; D710-R748 IonicContact OD1-NH1 2.99Å; D710-R748 PolarHBondContact OD1-NH1 3.08Å; D710-R748 IonicContact OD1-NH2 2.68Å; D710-R748 PolarHBondContact OD1-NH2 2.66Å; D710-R748 IonicContact OD2-NH2 3.24Å; M717-R748 HydrophobicContact SD-CB 3.79Å; M717-R748 HydrophobicContact SD-CG 4.3Å; I744-R748 HydrophobicContact CG2-CG 4.28Å; I744-R748 WeakPolarHBondContact O-CB 3.49Å; I744-R748 VanDerWaalsContact O-CG 3.31Å; I744-R748 WeakPolarHBondContact O-CG 3.49Å; I744-R748 PolarHBondContact O-N 3.17Å; R748-K750 VanDerWaalsContact C-N 3.31Å; R748-K750 PolarHBondContact O-N 3.37Å; R748-S751 PolarHBondContact O-N 2.68Å; R748-S751 PolarHBondContact O-OG 2.69Å; R748-L752 PolarHBondContact O-N 2.57Å
749	M	85	Confident	84.3	Confident	28 Å²	28	53 Å²	53	14%	0.138	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-37.7	175.1	-75.1	-58.1	-54	0	0	112.3	L745 S751 L752 V756 L759	L745-M749 HydrophobicContact CD1-CG 4.48Å; L745-M749 WeakPolarHBondContact O-CB 3.48Å; L745-M749 VanDerWaalsContact O-CG 3.25Å; L745-M749 WeakPolarHBondContact O-CG 3.38Å; L745-M749 PolarHBondContact O-N 3.18Å; M749-S751 VanDerWaalsContact C-N 3.31Å; M749-S751 PolarHBondContact O-N 3.06Å; M749-L752 PolarHBondContact O-N 3.12Å; M749-L752 HydrophobicContact SD-CD1 3.97Å; M749-V756 HydrophobicContact CE-CB 4.49Å; M749-V756 HydrophobicContact CE-CG1 3.73Å; M749-L759 HydrophobicContact CE-CB 3.73Å; M749-L759 HydrophobicContact CE-CD2 4.42Å; M749-L759 HydrophobicContact CG-CB 4.05Å; M749-L759 HydrophobicContact CG-CD2 3.68Å; M749-L759 HydrophobicContact CG-CG 4.49Å; M749-L759 HydrophobicContact SD-CB 4.02Å; M749-L759 HydrophobicContact SD-CD2 3.59Å; M749-L759 VanDerWaalsContact SD-CD2 3.59Å; M749-L759 HydrophobicContact SD-CG 4.44Å
750	K	84	Confident	84.4	Confident	110 Å²	110	53.6 Å²	53.6	48%	0.478	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-36.1	171.8	-80.8	-170.3	160	-158.2	0	113	E490 F746 E747 R748 L752	E490-K750 IonicContact OE1-NZ 2.7Å; E490-K750 PolarHBondContact OE1-NZ 3.18Å; E490-K750 IonicContact OE2-NZ 2.71Å; E490-K750 PolarHBondContact OE2-NZ 3.46Å; F746-K750 HydrophobicContact CD1-CD 4.32Å; F746-K750 HydrophobicContact CE1-CD 3.92Å; F746-K750 HydrophobicContact CZ-CD 4.43Å; F746-K750 WeakPolarHBondContact O-CG 3.16Å; F746-K750 PolarHBondContact O-N 2.78Å; E747-K750 PolarHBondContact O-N 3.37Å; R748-K750 VanDerWaalsContact C-N 3.31Å; R748-K750 PolarHBondContact O-N 3.37Å; K750-L752 VanDerWaalsContact C-N 3.3Å; K750-L752 PolarHBondContact O-N 3.17Å
751	S	84.4	Confident	84.7	Confident	97 Å²	97	53 Å²	53	68%	0.678	29%	0.291	S	S	*	.	H	α-helix	trans	-73.2	-18.2	179.1	72.4	0	0	0	0	114.5	E747 R748 M749 G753	E747-S751 PolarHBondContact O-N 3.36Å; E747-S751 VanDerWaalsContact O-N 3.1Å; R748-S751 PolarHBondContact O-N 2.68Å; R748-S751 PolarHBondContact O-OG 2.69Å; M749-S751 VanDerWaalsContact C-N 3.31Å; M749-S751 PolarHBondContact O-N 3.06Å; S751-G753 VanDerWaalsContact C-N 3.33Å
752	L	82.1	Confident	84.7	Confident	69 Å²	69	53.4 Å²	53.4	36%	0.361	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.2	179.7	-75.4	168.5	0	0	0	114.4	R748 M749 K750 V756	R748-L752 PolarHBondContact O-N 2.57Å; M749-L752 PolarHBondContact O-N 3.12Å; M749-L752 HydrophobicContact SD-CD1 3.97Å; K750-L752 VanDerWaalsContact C-N 3.3Å; K750-L752 PolarHBondContact O-N 3.17Å; L752-V756 HydrophobicContact CB-CG2 4.04Å
753	G	74	Confident	84.7	Confident	36 Å²	36	53.9 Å²	53.9	37%	0.371	30%	0.296	S	S	.	.			trans	79.2	-175.9	176.1	0	0	0	0	0	115.1	S751	S751-G753 VanDerWaalsContact C-N 3.33Å
754	P	75.6	Confident	84.7	Confident	122 Å²	122	52.8 Å²	52.8	79%	0.792	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-10.6	-170.5	33.7	-37	0	0	0	114.8	V756	P754-V756 PolarHBondContact O-N 2.8Å
755	D	75.6	Confident	84.5	Confident	157 Å²	157	53.6 Å²	53.6	84%	0.84	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.1	-176.1	-58.6	-50.7	0	0	0	113.2
756	V	78.4	Confident	83.8	Confident	31 Å²	31	57.7 Å²	57.7	19%	0.188	32%	0.323	C	S	.	.	S	Bend	trans	-97.5	134.5	179.5	-178.1	0	0	0	0	110.5	L721 M749 L752 P754	L721-V756 HydrophobicContact CD2-CB 4.44Å; L721-V756 HydrophobicContact CD2-CG1 3.7Å; L721-V756 HydrophobicContact CD2-CG2 3.84Å; M749-V756 HydrophobicContact CE-CB 4.49Å; M749-V756 HydrophobicContact CE-CG1 3.73Å; L752-V756 HydrophobicContact CB-CG2 4.04Å; P754-V756 PolarHBondContact O-N 2.8Å
757	P	79.1	Confident	83	Confident	70 Å²	70	58.1 Å²	58.1	46%	0.455	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-54.6	151.1	176.7	-27.6	36	0	0	0	114.3	H720 L759	H720-P757 WeakPolarHBondContact NE2-CB 3.4Å; H720-P757 PolarHBondContact NE2-O 3.08Å; P757-L759 PolarHBondContact O-N 2.93Å
758	E	84.5	Confident	82.3	Confident	118 Å²	118	54.8 Å²	54.8	55%	0.551	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-66	130.9	-177.8	-171	178.1	-174.1	0	0	112	H720 S784 R785	H720-E758 PolarHBondContact NE2-O 2.91Å; E758-S784 WeakPolarHBondContact O-CA 3.46Å; E758-S784 WeakPolarHBondContact O-CB 3.47Å; E758-R785 PolarHBondContact O-N 3.46Å
759	L	88.1	Confident	81.3	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.089	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.1	179.2	-164.8	66.3	0	0	0	111.1	H720 L745 M749 P757 I761 R785 V787	H720-L759 HydrophobicContact CB-CD1 4.39Å; H720-L759 WeakPolarHBondContact CE1-CD1 3.37Å; H720-L759 WeakPolarHBondContact ND1-CD1 3.4Å; L745-L759 HydrophobicContact CD1-CD2 4.07Å; L745-L759 HydrophobicContact CD2-CD2 4.08Å; L745-L759 HydrophobicContact CG-CD2 4.11Å; M749-L759 HydrophobicContact CE-CB 3.73Å; M749-L759 HydrophobicContact CE-CD2 4.42Å; M749-L759 HydrophobicContact CG-CB 4.05Å; M749-L759 HydrophobicContact CG-CD2 3.68Å; M749-L759 HydrophobicContact CG-CG 4.49Å; M749-L759 HydrophobicContact SD-CB 4.02Å; M749-L759 HydrophobicContact SD-CD2 3.59Å; M749-L759 VanDerWaalsContact SD-CD2 3.59Å; M749-L759 HydrophobicContact SD-CG 4.44Å; P757-L759 PolarHBondContact O-N 2.93Å; L759-I761 PolarHBondContact O-N 2.95Å; L759-R785 WeakPolarHBondContact CA-O 3.35Å; L759-R785 HydrophobicContact CD1-CB 4.16Å; L759-V787 HydrophobicContact CD1-CG2 3.35Å; L759-V787 HydrophobicContact CD2-CG2 3.97Å; L759-V787 HydrophobicContact CG-CG2 3.71Å
760	I	89.1	Confident	80.3	Confident	38 Å²	38	56 Å²	56	20%	0.195	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	101.5	-177.5	-55.8	179	0	0	0	109.6	L762 P781 R785 K786 V787	I760-L762 HydrophobicContact CG2-CD1 4.49Å; I760-L762 HydrophobicContact CG2-CD2 4.25Å; I760-L762 HydrophobicContact CG2-CG 4.17Å; I760-P781 HydrophobicContact CD1-CG 4.12Å; I760-R785 PolarHBondContact N-O 3.44Å; I760-K786 HydrophobicContact CB-CB 4.17Å; I760-K786 CarbonylContact O-C 3.59Å; I760-K786 WeakPolarHBondContact O-CA 3.46Å; I760-V787 PolarHBondContact O-N 2.83Å
761	I	91.2	Very high	79.4	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.062	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.9	-177.9	-53.1	169.5	0	0	0	110.1	I495 C742 L745 F746 L759 I789	I495-I761 VanDerWaalsContact CD1-O 3.26Å; I495-I761 WeakPolarHBondContact CD1-O 3.11Å; I495-I761 WeakPolarHBondContact CG1-O 3.41Å; C742-I761 HydrophobicContact CB-CG2 3.99Å; C742-I761 VanDerWaalsContact SG-CG2 3.6Å; L745-I761 HydrophobicContact CB-CD1 3.92Å; L745-I761 HydrophobicContact CD2-CD1 3.96Å; L745-I761 HydrophobicContact CD2-CG1 3.95Å; L745-I761 HydrophobicContact CD2-CG2 4.5Å; L745-I761 HydrophobicContact CG-CD1 3.77Å; L745-I761 HydrophobicContact CG-CG1 4.28Å; F746-I761 HydrophobicContact CB-CD1 3.97Å; F746-I761 HydrophobicContact CD2-CD1 4.45Å; L759-I761 PolarHBondContact O-N 2.95Å; I761-I789 HydrophobicContact CG2-CD1 4.13Å
762	L	90.3	Very high	78.7	Confident	8 Å²	8	56 Å²	56	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	109.1	-178.6	-63.3	176.7	0	0	0	111.5	I495 I760 I776 V787 V788 I789	I495-L762 HydrophobicContact CG2-CD2 4.16Å; I760-L762 HydrophobicContact CG2-CD1 4.49Å; I760-L762 HydrophobicContact CG2-CD2 4.25Å; I760-L762 HydrophobicContact CG2-CG 4.17Å; L762-I776 HydrophobicContact CB-CG2 4.15Å; L762-I776 HydrophobicContact CD1-CG2 4.27Å; L762-V787 PolarHBondContact N-O 3.22Å; L762-V788 WeakPolarHBondContact O-CA 3.27Å; L762-I789 PolarHBondContact O-N 3.42Å
763	P	90.2	Very high	78.3	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.065	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	147.8	176.4	31.9	-35.5	0	0	0	112.3	W491 I738 Y765 L768 I789	W491-P763 HydrophobicContact CH2-CG 4.45Å; W491-P763 HydrophobicContact CZ3-CG 4.08Å; I738-P763 HydrophobicContact CG2-CB 3.49Å; I738-P763 VanDerWaalsContact CG2-CB 3.49Å; P763-Y765 HydrophobicContact CB-CD1 4.44Å; P763-Y765 HydrophobicContact CB-CE1 4.07Å; P763-L768 WeakPolarHBondContact O-CD2 3.41Å; P763-I789 CarbonylContact C-O 3.44Å; P763-I789 WeakPolarHBondContact CA-O 3.38Å
764	V	87.4	Confident	78.4	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	111.1	175.6	-175.5	0	0	0	0	112	I776 V788 I789 A790 T791 I793	V764-I776 HydrophobicContact CG1-CD1 4.38Å; V764-I776 HydrophobicContact CG2-CD1 3.81Å; V764-I776 HydrophobicContact CG2-CG2 3.53Å; V764-V788 HydrophobicContact CG2-CG1 3.58Å; V764-I789 PolarHBondContact N-O 3.2Å; V764-A790 HydrophobicContact CB-CB 3.89Å; V764-A790 HydrophobicContact CG1-CB 4.5Å; V764-A790 WeakPolarHBondContact O-CA 3.47Å; V764-T791 PolarHBondContact O-N 3.04Å; V764-T791 VanDerWaalsContact O-N 3.14Å; V764-I793 HydrophobicContact CG1-CG2 4.3Å
765	Y	84.4	Confident	78.4	Confident	19 Å²	19	52.8 Å²	52.8	8%	0.075	30%	0.295	C	S	.	.			trans	-146.7	166.8	172.2	50.3	-93	0	0	0	111.1	Q735 I738 P763 A767 L768 Q773	Q735-Y765 HydrophobicContact CB-CD2 4.18Å; Q735-Y765 HydrophobicContact CB-CE2 4.29Å; Q735-Y765 HydrophobicContact CB-CG 4.3Å; Q735-Y765 HydrophobicContact CG-CD1 4.33Å; Q735-Y765 HydrophobicContact CG-CD2 4.08Å; Q735-Y765 HydrophobicContact CG-CE1 3.97Å; Q735-Y765 HydrophobicContact CG-CE2 3.68Å; Q735-Y765 HydrophobicContact CG-CG 4.39Å; Q735-Y765 PolarHBondContact NE2-OH 3.19Å; I738-Y765 HydrophobicContact CB-CD1 4.44Å; I738-Y765 HydrophobicContact CD1-CD1 4.28Å; I738-Y765 HydrophobicContact CG2-CD1 4.07Å; I738-Y765 HydrophobicContact CG2-CE1 4.27Å; P763-Y765 HydrophobicContact CB-CD1 4.44Å; P763-Y765 HydrophobicContact CB-CE1 4.07Å; Y765-A767 HydrophobicContact CD2-CB 4.12Å; Y765-A767 HydrophobicContact CE2-CB 4.28Å; Y765-A767 PolarHBondContact O-N 3.24Å; Y765-L768 HydrophobicContact CD2-CB 4.15Å; Y765-L768 HydrophobicContact CE1-CD1 4.15Å; Y765-L768 HydrophobicContact CE2-CB 4.14Å; Y765-L768 HydrophobicContact CE2-CD1 4.2Å; Y765-L768 WeakPolarHBondContact O-CB 3.48Å; Y765-L768 PolarHBondContact O-N 2.82Å; Y765-Q773 PolarHBondContact O-NE2 3.04Å
766	S	74.7	Confident	78.8	Confident	87 Å²	87	45.5 Å²	45.5	61%	0.608	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-35.1	-168.1	49.8	0	0	0	0	114.2	L768	S766-L768 VanDerWaalsContact C-N 3.27Å; S766-L768 PolarHBondContact O-N 2.91Å
767	A	71.2	Confident	78.9	Confident	46 Å²	46	47.1 Å²	47.1	38%	0.38	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.4	178.5	0	0	0	0	0	114.1	Y765	Y765-A767 HydrophobicContact CD2-CB 4.12Å; Y765-A767 HydrophobicContact CE2-CB 4.28Å; Y765-A767 PolarHBondContact O-N 3.24Å
768	L	72.9	Confident	79	Confident	11 Å²	11	46.2 Å²	46.2	6%	0.058	25%	0.251	C	S	.	.	S	Bend	trans	-66.4	144.5	-175	-165.6	71.5	0	0	0	111.9	P763 Y765 S766 S770 M772 Q773 R1022	P763-L768 WeakPolarHBondContact O-CD2 3.41Å; Y765-L768 HydrophobicContact CD2-CB 4.15Å; Y765-L768 HydrophobicContact CE1-CD1 4.15Å; Y765-L768 HydrophobicContact CE2-CB 4.14Å; Y765-L768 HydrophobicContact CE2-CD1 4.2Å; Y765-L768 WeakPolarHBondContact O-CB 3.48Å; Y765-L768 PolarHBondContact O-N 2.82Å; S766-L768 VanDerWaalsContact C-N 3.27Å; S766-L768 PolarHBondContact O-N 2.91Å; L768-S770 PolarHBondContact O-N 3.23Å; L768-M772 HydrophobicContact CD1-CB 4.29Å; L768-M772 HydrophobicContact CD2-CB 3.81Å; L768-M772 HydrophobicContact CG-CB 3.85Å; L768-Q773 HydrophobicContact CB-CG 3.99Å; L768-Q773 HydrophobicContact CD2-CG 3.93Å; L768-Q773 HydrophobicContact CG-CG 4.26Å; L768-Q773 PolarHBondContact O-NE2 2.69Å; L768-R1022 PolarHBondContact O-NH1 3.3Å
769	P	64.2	Low	78.8	Confident	67 Å²	67	45.3 Å²	45.3	44%	0.435	26%	0.255	S	S	.	.			trans	-55.7	137.1	171	-26.9	36.2	0	0	0	112	E771 M772 Q773	P769-E771 PolarHBondContact O-N 2.7Å; P769-M772 HydrophobicContact CB-CG 4.22Å; P769-M772 HydrophobicContact CG-CG 4.47Å; P769-M772 WeakPolarHBondContact O-CB 3.47Å; P769-M772 PolarHBondContact O-N 2.75Å; P769-Q773 PolarHBondContact O-N 3.01Å
770	S	65.1	Low	78.5	Confident	46 Å²	46	45.9 Å²	45.9	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-70.2	-17.5	-174.8	-62.9	0	0	0	0	114.1	L768 Q773 T774 R1022	L768-S770 PolarHBondContact O-N 3.23Å; S770-Q773 PolarHBondContact OG-OE1 3.33Å; S770-Q773 VanDerWaalsContact OG-OE1 3.07Å; S770-T774 WeakPolarHBondContact O-CB 3.49Å; S770-T774 PolarHBondContact O-N 2.77Å; S770-T774 PolarHBondContact O-OG1 3.42Å; S770-R1022 PolarHBondContact OG-NH2 3.41Å
771	E	65.7	Low	78.1	Confident	160 Å²	160	47.6 Å²	47.6	75%	0.748	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-50.8	165.8	-66.2	172.5	-161.4	0	0	110.5	P769 Q773 T774 R775	P769-E771 PolarHBondContact O-N 2.7Å; E771-Q773 PolarHBondContact O-N 2.82Å; E771-T774 WeakPolarHBondContact O-CB 3.36Å; E771-T774 PolarHBondContact O-N 3.24Å; E771-R775 PolarHBondContact O-N 2.86Å
772	M	69.6	Low	77.5	Confident	48 Å²	48	53.6 Å²	53.6	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-40.3	175.8	-56.8	-64.3	-122.3	0	0	111.8	I495 L768 P769 T774 R775	I495-M772 HydrophobicContact CB-CE 4.21Å; I495-M772 HydrophobicContact CG2-CE 3.59Å; I495-M772 HydrophobicContact CG2-SD 3.86Å; L768-M772 HydrophobicContact CD1-CB 4.29Å; L768-M772 HydrophobicContact CD2-CB 3.81Å; L768-M772 HydrophobicContact CG-CB 3.85Å; P769-M772 HydrophobicContact CB-CG 4.22Å; P769-M772 HydrophobicContact CG-CG 4.47Å; P769-M772 WeakPolarHBondContact O-CB 3.47Å; P769-M772 PolarHBondContact O-N 2.75Å; M772-T774 PolarHBondContact O-N 2.99Å; M772-R775 WeakPolarHBondContact O-CB 3.41Å; M772-R775 PolarHBondContact O-N 3.36Å; M772-R775 VanDerWaalsContact O-N 3.16Å
773	Q	73.8	Confident	77	Confident	29 Å²	29	56.6 Å²	56.6	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-21.5	173.3	-63.4	173.3	-24.2	0	0	112.8	Y765 L768 P769 S770 E771 I776 F777	Y765-Q773 PolarHBondContact O-NE2 3.04Å; L768-Q773 HydrophobicContact CB-CG 3.99Å; L768-Q773 HydrophobicContact CD2-CG 3.93Å; L768-Q773 HydrophobicContact CG-CG 4.26Å; L768-Q773 PolarHBondContact O-NE2 2.69Å; P769-Q773 PolarHBondContact O-N 3.01Å; S770-Q773 PolarHBondContact OG-OE1 3.33Å; S770-Q773 VanDerWaalsContact OG-OE1 3.07Å; E771-Q773 PolarHBondContact O-N 2.82Å; Q773-I776 WeakPolarHBondContact O-CD1 3.28Å; Q773-I776 WeakPolarHBondContact O-CG1 3.5Å; Q773-F777 WeakPolarHBondContact O-CE2 3.2Å
774	T	74.3	Confident	76.7	Confident	86 Å²	86	57.2 Å²	57.2	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-80.4	-29.9	175.6	-57.1	0	0	0	0	111.5	S770 E771 M772 I776 F777	S770-T774 WeakPolarHBondContact O-CB 3.49Å; S770-T774 PolarHBondContact O-N 2.77Å; S770-T774 PolarHBondContact O-OG1 3.42Å; E771-T774 WeakPolarHBondContact O-CB 3.36Å; E771-T774 PolarHBondContact O-N 3.24Å; M772-T774 PolarHBondContact O-N 2.99Å; T774-I776 PolarHBondContact O-N 3.17Å; T774-I776 VanDerWaalsContact O-N 3.13Å; T774-F777 WeakPolarHBondContact O-CD2 3.42Å; T774-F777 PolarHBondContact O-N 3.44Å; T774-F777 VanDerWaalsContact O-N 3.08Å
775	R	77.1	Confident	76.8	Confident	45 Å²	45	57.9 Å²	57.9	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-60.2	-24.5	-178.7	-64.5	-151.9	66.3	-154.7	-11.2	114.1	I495 E771 M772 F777 E778	I495-R775 PolarHBondContact O-NH1 2.88Å; E771-R775 PolarHBondContact O-N 2.86Å; M772-R775 WeakPolarHBondContact O-CB 3.41Å; M772-R775 PolarHBondContact O-N 3.36Å; M772-R775 VanDerWaalsContact O-N 3.16Å; R775-F777 PolarHBondContact O-N 3.41Å; R775-E778 IonicContact CZ-OE2 2.69Å; R775-E778 VanDerWaalsContact CZ-OE2 3.25Å; R775-E778 IonicContact NE-OE1 2.86Å; R775-E778 IonicContact NE-OE2 2.79Å; R775-E778 PolarHBondContact NE-OE2 3.22Å; R775-E778 IonicContact NH2-OE2 3.87Å; R775-E778 PolarHBondContact NH2-OE2 3.18Å; R775-E778 WeakPolarHBondContact O-CB 3.43Å; R775-E778 WeakPolarHBondContact O-CG 3.37Å; R775-E778 PolarHBondContact O-N 2.89Å
776	I	83.9	Confident	77.2	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.015	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.3	177.3	73.1	-167.4	0	0	0	113.8	L762 V764 Q773 T774 E778 V788 I800	L762-I776 HydrophobicContact CB-CG2 4.15Å; L762-I776 HydrophobicContact CD1-CG2 4.27Å; V764-I776 HydrophobicContact CG1-CD1 4.38Å; V764-I776 HydrophobicContact CG2-CD1 3.81Å; V764-I776 HydrophobicContact CG2-CG2 3.53Å; Q773-I776 WeakPolarHBondContact O-CD1 3.28Å; Q773-I776 WeakPolarHBondContact O-CG1 3.5Å; T774-I776 PolarHBondContact O-N 3.17Å; T774-I776 VanDerWaalsContact O-N 3.13Å; I776-E778 VanDerWaalsContact C-N 3.34Å; I776-V788 HydrophobicContact CB-CG2 4.43Å; I776-V788 HydrophobicContact CG2-CG1 4.25Å; I776-I800 HydrophobicContact CB-CD1 4.46Å; I776-I800 HydrophobicContact CD1-CD1 3.72Å; I776-I800 HydrophobicContact CD1-CG1 4.13Å; I776-I800 HydrophobicContact CG1-CD1 4.09Å; I776-I800 HydrophobicContact CG1-CG1 4.16Å; I776-I800 WeakPolarHBondContact O-CG2 3.38Å
777	F	80.8	Confident	78.1	Confident	66 Å²	66	53 Å²	53	29%	0.289	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.6	173.9	-51.4	-71.8	0	0	0	112.6	R505 Q773 T774 R775 T799 I800	R505-F777 PolarHBondContact NE-O 2.88Å; R505-F777 PolarHBondContact NH2-O 2.89Å; Q773-F777 WeakPolarHBondContact O-CE2 3.2Å; T774-F777 WeakPolarHBondContact O-CD2 3.42Å; T774-F777 PolarHBondContact O-N 3.44Å; T774-F777 VanDerWaalsContact O-N 3.08Å; R775-F777 PolarHBondContact O-N 3.41Å; F777-T799 WeakPolarHBondContact CD1-O 3.23Å; F777-T799 VanDerWaalsContact CE1-O 3.32Å; F777-T799 WeakPolarHBondContact CE1-O 3.43Å; F777-I800 HydrophobicContact CD1-CG1 4.33Å; F777-I800 HydrophobicContact CE1-CG1 3.87Å
778	E	81	Confident	79.1	Confident	51 Å²	51	50.8 Å²	50.8	24%	0.238	31%	0.305	C	S	.	.	S	Bend	trans	-68.3	138.1	168.8	-61.8	171.5	176.8	0	0	109.3	R775 I776 K786	R775-E778 IonicContact CZ-OE2 2.69Å; R775-E778 VanDerWaalsContact CZ-OE2 3.25Å; R775-E778 IonicContact NE-OE1 2.86Å; R775-E778 IonicContact NE-OE2 2.79Å; R775-E778 PolarHBondContact NE-OE2 3.22Å; R775-E778 IonicContact NH2-OE2 3.87Å; R775-E778 PolarHBondContact NH2-OE2 3.18Å; R775-E778 WeakPolarHBondContact O-CB 3.43Å; R775-E778 WeakPolarHBondContact O-CG 3.37Å; R775-E778 PolarHBondContact O-N 2.89Å; I776-E778 VanDerWaalsContact C-N 3.34Å; E778-K786 PolarHBondContact O-NZ 2.79Å
779	P	79.6	Confident	80.1	Confident	99 Å²	99	50.4 Å²	50.4	64%	0.643	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-70.7	147.1	170.3	31.2	-33.6	0	0	0	109.8
780	A	81.4	Confident	81.5	Confident	29 Å²	29	47.2 Å²	47.2	24%	0.24	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.2	136.3	171.2	0	0	0	0	0	110.3	K786	A780-K786 HydrophobicContact CB-CB 4.5Å
781	P	81.1	Confident	82.7	Confident	73 Å²	73	45.6 Å²	45.6	47%	0.474	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-51.7	144	165.9	-27.7	34.6	0	0	0	112.1	I760 G783 S784	I760-P781 HydrophobicContact CD1-CG 4.12Å; P781-G783 PolarHBondContact O-N 2.84Å; P781-S784 VanDerWaalsContact CD-OG 3.31Å; P781-S784 WeakPolarHBondContact CD-OG 3.49Å; P781-S784 PolarHBondContact O-N 2.93Å; P781-S784 PolarHBondContact O-OG 2.95Å
782	P	78	Confident	83.7	Confident	139 Å²	139	41 Å²	41	90%	0.903	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	128.1	-178.3	26	-34.5	0	0	0	110.9
783	G	80.6	Confident	84.5	Confident	70 Å²	70	40.1 Å²	40.1	72%	0.722	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	-7.3	-174.9	0	0	0	0	0	115.1	P781	P781-G783 PolarHBondContact O-N 2.84Å
784	S	84.4	Confident	85	Confident	23 Å²	23	38.9 Å²	38.9	16%	0.161	24%	0.242	C	C	.	.			trans	-106	162.2	172.1	72	0	0	0	0	111.8	E758 P781	E758-S784 WeakPolarHBondContact O-CA 3.46Å; E758-S784 WeakPolarHBondContact O-CB 3.47Å; P781-S784 VanDerWaalsContact CD-OG 3.31Å; P781-S784 WeakPolarHBondContact CD-OG 3.49Å; P781-S784 PolarHBondContact O-N 2.93Å; P781-S784 PolarHBondContact O-OG 2.95Å
785	R	89.9	Confident	85.3	Confident	18 Å²	18	35.3 Å²	35.3	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.1	173.7	-164.5	-168.4	-62.1	-109	13.6	108.9	I719 H720 E723 P724 G726 E758 L759 I760	I719-R785 PolarHBondContact O-NH2 3.36Å; H720-R785 WeakPolarHBondContact CE1-CB 3.49Å; H720-R785 WeakPolarHBondContact CE1-CD 3.33Å; H720-R785 WeakPolarHBondContact CE1-CG 3.25Å; H720-R785 PolarHBondContact CE1-NE 3.11Å; H720-R785 WeakPolarHBondContact ND1-CD 3.44Å; H720-R785 PolarHBondContact ND1-NE 3.46Å; H720-R785 VanDerWaalsContact ND1-NE 3.12Å; H720-R785 WeakPolarHBondContact NE2-CB 3.4Å; H720-R785 PolarHBondContact O-NH2 3.36Å; E723-R785 PolarHBondContact O-NH2 3.31Å; P724-R785 PolarHBondContact O-NH1 3.35Å; G726-R785 VanDerWaalsContact O-CD 3.31Å; G726-R785 WeakPolarHBondContact O-CD 3.29Å; G726-R785 VanDerWaalsContact O-CG 3.23Å; G726-R785 WeakPolarHBondContact O-CG 3.43Å; G726-R785 PolarHBondContact O-NH1 3.38Å; E758-R785 PolarHBondContact O-N 3.46Å; L759-R785 WeakPolarHBondContact CA-O 3.35Å; L759-R785 HydrophobicContact CD1-CB 4.16Å; I760-R785 PolarHBondContact N-O 3.44Å
786	K	91.7	Very high	85.2	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	143.9	173.1	98	-147.1	176.1	-144.9	0	111.8	D727 I728 I760 E778 A780 V788 D801	D727-K786 WeakPolarHBondContact CA-O 3.18Å; D727-K786 HydrophobicContact CB-CD 4.27Å; D727-K786 HydrophobicContact CB-CG 3.91Å; D727-K786 WeakPolarHBondContact OD1-CG 3.46Å; D727-K786 PolarHBondContact OD1-N 3.4Å; D727-K786 WeakPolarHBondContact OD2-CD 3.45Å; D727-K786 WeakPolarHBondContact OD2-CE 3.41Å; D727-K786 IonicContact OD2-NZ 3.23Å; D727-K786 PolarHBondContact OD2-NZ 3.29Å; I728-K786 PolarHBondContact N-O 3.02Å; I760-K786 HydrophobicContact CB-CB 4.17Å; I760-K786 CarbonylContact O-C 3.59Å; I760-K786 WeakPolarHBondContact O-CA 3.46Å; E778-K786 PolarHBondContact O-NZ 2.79Å; A780-K786 HydrophobicContact CB-CB 4.5Å; K786-V788 HydrophobicContact CG-CG2 4.21Å; K786-D801 PolarHBondContact NZ-O 2.89Å
787	V	93.4	Very high	84.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.8	173.2	-178.3	0	0	0	0	107.9	V716 I728 V730 L745 L759 I760 L762 I789	V716-V787 HydrophobicContact CG1-CG1 4.15Å; V716-V787 HydrophobicContact CG1-CG2 4.04Å; I728-V787 HydrophobicContact CB-CG1 4.47Å; I728-V787 HydrophobicContact CB-CG2 4.22Å; I728-V787 HydrophobicContact CD1-CG2 4.17Å; I728-V787 HydrophobicContact CG1-CG2 4.42Å; I728-V787 WeakPolarHBondContact O-CA 3.49Å; V730-V787 HydrophobicContact CG2-CG1 3.94Å; L745-V787 HydrophobicContact CD2-CG1 4.31Å; L759-V787 HydrophobicContact CD1-CG2 3.35Å; L759-V787 HydrophobicContact CD2-CG2 3.97Å; L759-V787 HydrophobicContact CG-CG2 3.71Å; I760-V787 PolarHBondContact O-N 2.83Å; L762-V787 PolarHBondContact N-O 3.22Å; V787-I789 HydrophobicContact CG1-CD1 4.36Å; V787-I789 HydrophobicContact CG1-CG1 3.82Å
788	V	93.2	Very high	84.1	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.3	174	-174.6	0	0	0	0	108.1	I728 L729 V730 L762 V764 I776 K786 A790 I800	I728-V788 PolarHBondContact O-N 3.04Å; L729-V788 WeakPolarHBondContact CA-O 3.39Å; L729-V788 HydrophobicContact CD1-CB 3.96Å; L729-V788 HydrophobicContact CD1-CG1 3.91Å; V730-V788 PolarHBondContact N-O 3.07Å; L762-V788 WeakPolarHBondContact O-CA 3.27Å; V764-V788 HydrophobicContact CG2-CG1 3.58Å; I776-V788 HydrophobicContact CB-CG2 4.43Å; I776-V788 HydrophobicContact CG2-CG1 4.25Å; K786-V788 HydrophobicContact CG-CG2 4.21Å; V788-A790 HydrophobicContact CG1-CB 4.35Å; V788-I800 HydrophobicContact CG1-CD1 4.16Å
789	I	93.8	Very high	83.7	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.2	177.3	-50.5	-173.2	0	0	0	108	V730 L732 I738 A741 L745 I761 L762 P763 V764 V787	V730-I789 HydrophobicContact CB-CG1 4.44Å; V730-I789 HydrophobicContact CB-CG2 4.37Å; V730-I789 HydrophobicContact CG2-CG1 4.45Å; L732-I789 HydrophobicContact CD1-CG2 3.48Å; L732-I789 VanDerWaalsContact CD1-CG2 3.48Å; L732-I789 HydrophobicContact CG-CG2 3.93Å; I738-I789 HydrophobicContact CB-CG2 4.46Å; I738-I789 HydrophobicContact CG1-CG2 4.09Å; I738-I789 HydrophobicContact CG2-CB 4.33Å; I738-I789 HydrophobicContact CG2-CG2 4.11Å; A741-I789 HydrophobicContact CB-CD1 4.28Å; L745-I789 HydrophobicContact CD2-CD1 4.19Å; I761-I789 HydrophobicContact CG2-CD1 4.13Å; L762-I789 PolarHBondContact O-N 3.42Å; P763-I789 CarbonylContact C-O 3.44Å; P763-I789 WeakPolarHBondContact CA-O 3.38Å; V764-I789 PolarHBondContact N-O 3.2Å; V787-I789 HydrophobicContact CG1-CD1 4.36Å; V787-I789 HydrophobicContact CG1-CG1 3.82Å
790	A	92.3	Very high	83.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.9	-165.1	0	0	0	0	0	113.5	L729 V730 F731 L732 V764 V788 A794	L729-A790 HydrophobicContact CD1-CB 3.9Å; V730-A790 PolarHBondContact O-N 2.99Å; F731-A790 CarbonylContact C-O 3.57Å; F731-A790 WeakPolarHBondContact CA-O 3.49Å; L732-A790 PolarHBondContact N-O 3.05Å; V764-A790 HydrophobicContact CB-CB 3.89Å; V764-A790 HydrophobicContact CG1-CB 4.5Å; V764-A790 WeakPolarHBondContact O-CA 3.47Å; V788-A790 HydrophobicContact CG1-CB 4.35Å; A790-A794 HydrophobicContact CB-CB 3.79Å
791	T	90.9	Very high	83.7	Confident	12 Å²	12	29.6 Å²	29.6	7%	0.074	19%	0.191	C	C	.	.			trans	-81.4	-174.3	160	76.5	0	0	0	0	111.5	L732 I738 V764 I793 A794	L732-T791 WeakPolarHBondContact O-CA 3.35Å; I738-T791 HydrophobicContact CD1-CG2 3.56Å; V764-T791 PolarHBondContact O-N 3.04Å; V764-T791 VanDerWaalsContact O-N 3.14Å; T791-I793 PolarHBondContact O-N 3.43Å; T791-I793 WeakPolarHBondContact OG1-CD1 3.26Å; T791-I793 WeakPolarHBondContact OG1-CG1 3.31Å; T791-I793 PolarHBondContact OG1-N 3.16Å; T791-A794 PolarHBondContact O-N 3.15Å; T791-A794 VanDerWaalsContact O-N 3.11Å
792	N	87.8	Confident	83.9	Confident	63 Å²	63	27 Å²	27	34%	0.337	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-52.2	-0.2	167	69.5	-22.8	0	0	0	116.1	R571 A794 E795 V812	R571-N792 PolarHBondContact NH2-O 2.92Å; R571-N792 VanDerWaalsContact NH2-O 3.08Å; N792-A794 PolarHBondContact O-N 3.11Å; N792-E795 HydrophobicContact CB-CB 4.23Å; N792-E795 WeakPolarHBondContact O-CB 3.4Å; N792-E795 PolarHBondContact O-N 3.33Å; N792-V812 HydrophobicContact CB-CG2 4.24Å
793	I	84.4	Confident	84.5	Confident	31 Å²	31	20.4 Å²	20.4	16%	0.159	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-64.2	-30.7	167.9	-68.4	166.3	0	0	0	111.5	V764 T791 E795 L798	V764-I793 HydrophobicContact CG1-CG2 4.3Å; T791-I793 PolarHBondContact O-N 3.43Å; T791-I793 WeakPolarHBondContact OG1-CD1 3.26Å; T791-I793 WeakPolarHBondContact OG1-CG1 3.31Å; T791-I793 PolarHBondContact OG1-N 3.16Å; I793-E795 VanDerWaalsContact C-N 3.34Å; I793-L798 HydrophobicContact CG2-CD1 3.76Å; I793-L798 WeakPolarHBondContact O-CD1 3.3Å
794	A	85.2	Confident	84.9	Confident	3 Å²	3	19.8 Å²	19.8	3%	0.025	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-82.8	-8.1	174.5	0	0	0	0	0	113.7	L729 F731 A790 T791 N792 R842	L729-A794 HydrophobicContact CD1-CB 4.02Å; L729-A794 HydrophobicContact CD2-CB 4.15Å; F731-A794 HydrophobicContact CE1-CB 3.97Å; F731-A794 HydrophobicContact CZ-CB 4.35Å; A790-A794 HydrophobicContact CB-CB 3.79Å; T791-A794 PolarHBondContact O-N 3.15Å; T791-A794 VanDerWaalsContact O-N 3.11Å; N792-A794 PolarHBondContact O-N 3.11Å; A794-R842 VanDerWaalsContact O-CD 3.3Å; A794-R842 WeakPolarHBondContact O-CD 3.49Å; A794-R842 PolarHBondContact O-NH1 2.87Å
795	E	81.7	Confident	85.4	Confident	10 Å²	10	19.4 Å²	19.4	5%	0.047	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-32.8	-169.3	-168.2	168.5	112.8	0	0	113.8	F731 N792 I793 Q835 R839 R842	F731-E795 HydrophobicContact CE1-CB 4.19Å; N792-E795 HydrophobicContact CB-CB 4.23Å; N792-E795 WeakPolarHBondContact O-CB 3.4Å; N792-E795 PolarHBondContact O-N 3.33Å; I793-E795 VanDerWaalsContact C-N 3.34Å; E795-Q835 VanDerWaalsContact OE1-CG 3.29Å; E795-Q835 WeakPolarHBondContact OE1-CG 3.37Å; E795-Q835 PolarHBondContact OE1-NE2 3.21Å; E795-R839 HydrophobicContact CG-CG 4.04Å; E795-R839 IonicContact OE2-CZ 3.78Å; E795-R839 IonicContact OE2-NE 2.73Å; E795-R839 PolarHBondContact OE2-NE 3.02Å; E795-R839 IonicContact OE2-NH2 3.77Å; E795-R839 PolarHBondContact OE2-NH2 3.05Å; E795-R842 VanDerWaalsContact C-CZ 3.44Å; E795-R842 VanDerWaalsContact C-NH1 3.33Å; E795-R842 PolarHBondContact O-NE 3.39Å; E795-R842 PolarHBondContact O-NH1 3.13Å; E795-R842 PolarHBondContact O-NH2 2.74Å
796	T	73.6	Confident	85.7	Confident	4 Å²	4	18.6 Å²	18.6	3%	0.025	10%	0.104	C	C	.	.	S	Bend	trans	-143.4	170.2	177.1	43.1	0	0	0	0	110.7	R571 H640 E641 L798 Q838	R571-T796 VanDerWaalsContact CZ-OG1 3.3Å; R571-T796 VanDerWaalsContact NH1-C 3.35Å; R571-T796 PolarHBondContact NH1-O 3.04Å; R571-T796 PolarHBondContact NH1-OG1 2.93Å; R571-T796 PolarHBondContact NH2-OG1 3.22Å; H640-T796 WeakPolarHBondContact NE2-CG2 3.26Å; E641-T796 VanDerWaalsContact CD-OG1 3.24Å; E641-T796 WeakPolarHBondContact OE1-CB 3.37Å; E641-T796 PolarHBondContact OE1-OG1 2.88Å; T796-L798 PolarHBondContact O-N 2.88Å; T796-Q838 VanDerWaalsContact CG2-OE1 3.3Å
797	S	68.8	Low	85.8	Confident	26 Å²	26	18.4 Å²	18.4	18%	0.182	10%	0.104	C	C	.	.	S	Bend	trans	55.8	-46.2	-173	-32.5	0	0	0	0	119.3	R571 E638	R571-S797 PolarHBondContact NH1-OG 2.68Å; E638-S797 WeakPolarHBondContact OE2-CA 3.37Å; E638-S797 PolarHBondContact OE2-N 3.09Å
798	L	72.4	Confident	85.9	Confident	15 Å²	15	18.4 Å²	18.4	8%	0.079	10%	0.104	C	C	.	.			trans	-81	135.6	-171.7	-62.5	-176	0	0	0	113.2	V573 I793 T796 R842 R845	V573-L798 HydrophobicContact CG1-CD2 4.26Å; I793-L798 HydrophobicContact CG2-CD1 3.76Å; I793-L798 WeakPolarHBondContact O-CD1 3.3Å; T796-L798 PolarHBondContact O-N 2.88Å; L798-R842 PolarHBondContact O-NH1 2.86Å; L798-R845 PolarHBondContact O-NH1 3.4Å; L798-R845 PolarHBondContact O-NH2 3.23Å
799	T	74.3	Confident	85.8	Confident	64 Å²	64	18.4 Å²	18.4	39%	0.393	10%	0.104	S	C	.	.			trans	-110.8	103.2	171.8	50.7	0	0	0	0	110.9	F777	F777-T799 WeakPolarHBondContact CD1-O 3.23Å; F777-T799 VanDerWaalsContact CE1-O 3.32Å; F777-T799 WeakPolarHBondContact CE1-O 3.43Å
800	I	81	Confident	85.7	Confident	8 Å²	8	18.3 Å²	18.3	4%	0.041	10%	0.103	C	C	.	.			trans	-99.1	117.7	171.3	-58.7	169.9	0	0	0	107	I776 F777 V788 I803	I776-I800 HydrophobicContact CB-CD1 4.46Å; I776-I800 HydrophobicContact CD1-CD1 3.72Å; I776-I800 HydrophobicContact CD1-CG1 4.13Å; I776-I800 HydrophobicContact CG1-CD1 4.09Å; I776-I800 HydrophobicContact CG1-CG1 4.16Å; I776-I800 WeakPolarHBondContact O-CG2 3.38Å; F777-I800 HydrophobicContact CD1-CG1 4.33Å; F777-I800 HydrophobicContact CE1-CG1 3.87Å; V788-I800 HydrophobicContact CG1-CD1 4.16Å; I800-I803 HydrophobicContact CB-CD1 3.65Å; I800-I803 HydrophobicContact CB-CG1 4.39Å; I800-I803 HydrophobicContact CD1-CD1 4.44Å; I800-I803 HydrophobicContact CG2-CD1 3.8Å; I800-I803 HydrophobicContact CG2-CG1 4.07Å
801	D	79.5	Confident	85.6	Confident	56 Å²	56	18.5 Å²	18.5	30%	0.299	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	150.9	-179	-43.8	-73.1	0	0	0	111.6	R505 K786 T846	R505-D801 IonicContact CZ-OD2 3.91Å; R505-D801 IonicContact NH1-OD2 2.79Å; R505-D801 PolarHBondContact NH1-OD2 3.16Å; R505-D801 IonicContact NH2-OD2 2.78Å; R505-D801 PolarHBondContact NH2-OD2 3.21Å; K786-D801 PolarHBondContact NZ-O 2.89Å; D801-T846 HydrophobicContact CB-CG2 4.05Å
802	G	85	Confident	85.6	Confident	18 Å²	18	18.2 Å²	18.2	19%	0.186	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-3.4	179.4	0	0	0	0	0	114.4	D727 F804	D727-G802 WeakPolarHBondContact CA-O 3.38Å; D727-G802 WeakPolarHBondContact CB-O 3.11Å; D727-G802 PolarHBondContact N-O 3.15Å; G802-F804 WeakPolarHBondContact O-CD2 3.36Å; G802-F804 PolarHBondContact O-N 2.81Å
803	I	89.6	Confident	85.6	Confident	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.6	173.6	-59.8	167.7	0	0	0	109.2	D727 L729 I800 Y805 V806 A843 T846	D727-I803 WeakPolarHBondContact O-CA 3.48Å; L729-I803 HydrophobicContact CB-CD1 3.85Å; L729-I803 HydrophobicContact CB-CG1 4.31Å; L729-I803 HydrophobicContact CB-CG2 3.94Å; L729-I803 HydrophobicContact CD2-CD1 3.91Å; L729-I803 HydrophobicContact CG-CD1 4.34Å; I800-I803 HydrophobicContact CB-CD1 3.65Å; I800-I803 HydrophobicContact CB-CG1 4.39Å; I800-I803 HydrophobicContact CD1-CD1 4.44Å; I800-I803 HydrophobicContact CG2-CD1 3.8Å; I800-I803 HydrophobicContact CG2-CG1 4.07Å; I803-Y805 WeakPolarHBondContact CG2-O 3.34Å; I803-V806 HydrophobicContact CG2-CG2 4.16Å; I803-A843 VanDerWaalsContact O-O 3.11Å; I803-T846 PolarHBondContact O-OG1 3.36Å
804	F	91	Very high	85.6	Confident	57 Å²	57	18 Å²	18	25%	0.25	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-19.8	168.4	-69.8	-99.2	0	0	0	111.7	D727 G802 P848 G849 K850	D727-F804 PolarHBondContact O-N 2.87Å; G802-F804 WeakPolarHBondContact O-CD2 3.36Å; G802-F804 PolarHBondContact O-N 2.81Å; F804-P848 WeakPolarHBondContact CD1-O 3.11Å; F804-G849 CarbonylContact O-C 3.44Å; F804-G849 WeakPolarHBondContact O-CA 3.44Å; F804-K850 PolarHBondContact O-N 3.43Å
805	Y	94.4	Very high	85.5	Confident	15 Å²	15	21.9 Å²	21.9	6%	0.059	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130	-173.7	-56.9	-78.9	0	0	0	110.8	I719 E723 P724 G726 D727 I728 L729 I803 K850 Y852	I719-Y805 HydrophobicContact CG2-CD1 3.73Å; I719-Y805 HydrophobicContact CG2-CD2 3.95Å; I719-Y805 HydrophobicContact CG2-CE1 4.26Å; I719-Y805 HydrophobicContact CG2-CE2 4.48Å; I719-Y805 HydrophobicContact CG2-CG 3.56Å; E723-Y805 HydrophobicContact CB-CE1 3.72Å; E723-Y805 HydrophobicContact CG-CE1 3.93Å; P724-Y805 WeakPolarHBondContact CD-OH 3.38Å; P724-Y805 WeakPolarHBondContact O-CE2 3.39Å; P724-Y805 PolarHBondContact O-OH 3.4Å; G726-Y805 WeakPolarHBondContact O-CD2 3.4Å; D727-Y805 PolarHBondContact O-N 3.28Å; D727-Y805 VanDerWaalsContact O-N 3.15Å; I728-Y805 CarbonylContact C-O 3.57Å; I728-Y805 WeakPolarHBondContact CA-O 3.47Å; L729-Y805 PolarHBondContact N-O 2.86Å; I803-Y805 WeakPolarHBondContact CG2-O 3.34Å; Y805-K850 WeakPolarHBondContact CA-O 3.47Å; Y805-K850 HydrophobicContact CD1-CB 4.08Å; Y805-K850 HydrophobicContact CE1-CB 4.36Å; Y805-K850 HydrophobicContact CE1-CD 4.22Å; Y805-K850 HydrophobicContact CE1-CG 4.39Å; Y805-Y852 HydrophobicContact CD1-CE2 4.15Å
806	V	94.7	Very high	85.7	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.4	174.6	168.4	0	0	0	0	109.7	L729 F731 I803 D808 R842 A843 K850 C851 Y852	L729-V806 HydrophobicContact CB-CG2 4.37Å; L729-V806 CarbonylContact O-C 3.58Å; L729-V806 WeakPolarHBondContact O-CA 3.46Å; F731-V806 HydrophobicContact CD2-CG1 4.11Å; F731-V806 HydrophobicContact CE2-CG1 3.91Å; I803-V806 HydrophobicContact CG2-CG2 4.16Å; V806-D808 HydrophobicContact CG1-CB 4.49Å; V806-R842 HydrophobicContact CG2-CB 3.97Å; V806-A843 HydrophobicContact CG2-CB 3.89Å; V806-K850 PolarHBondContact N-O 2.88Å; V806-C851 HydrophobicContact CB-CB 4.4Å; V806-C851 CarbonylContact O-C 3.58Å; V806-C851 WeakPolarHBondContact O-CA 3.2Å; V806-Y852 PolarHBondContact O-N 3.36Å
807	V	95.3	Very high	86.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119	170	-179.4	0	0	0	0	108.3	V716 I719 I728 L729 V730 F731 L854	V716-V807 HydrophobicContact CG2-CG2 4.26Å; I719-V807 HydrophobicContact CD1-CG2 3.69Å; I728-V807 HydrophobicContact CG2-CG2 4.23Å; L729-V807 PolarHBondContact O-N 2.88Å; V730-V807 HydrophobicContact CG1-CB 4.33Å; V730-V807 HydrophobicContact CG1-CG1 4.43Å; V730-V807 HydrophobicContact CG2-CB 4.39Å; F731-V807 PolarHBondContact N-O 2.83Å; F731-V807 VanDerWaalsContact N-O 3.07Å; V807-L854 HydrophobicContact CG1-CD1 4.07Å; V807-L854 HydrophobicContact CG1-CD2 4.44Å; V807-L854 HydrophobicContact CG1-CG 4.35Å
808	D	94.5	Very high	86.7	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	104.5	-176.5	-176.7	19.9	0	0	0	110.7	V806 G810 I831 R839 Y852 R853 L854 Y855	V806-D808 HydrophobicContact CG1-CB 4.49Å; D808-G810 PolarHBondContact O-N 3.11Å; D808-G810 PolarHBondContact OD1-N 2.82Å; D808-I831 WeakPolarHBondContact OD2-CD1 3.45Å; D808-R839 VanDerWaalsContact CG-CD 3.46Å; D808-R839 VanDerWaalsContact OD1-CD 3.27Å; D808-R839 WeakPolarHBondContact OD1-CD 3.15Å; D808-R839 IonicContact OD1-CZ 2.7Å; D808-R839 IonicContact OD1-NE 2.87Å; D808-R839 IonicContact OD1-NH1 2.82Å; D808-R839 PolarHBondContact OD1-NH1 2.88Å; D808-R839 WeakPolarHBondContact OD2-CD 3.35Å; D808-Y852 PolarHBondContact N-O 2.64Å; D808-R853 WeakPolarHBondContact O-CA 3.29Å; D808-L854 PolarHBondContact O-N 3.29Å; D808-Y855 WeakPolarHBondContact O-CE1 3.28Å; D808-Y855 PolarHBondContact OD2-OH 2.74Å
809	P	92.1	Very high	86.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.			trans	-74.2	-5.2	173.4	30.9	-34.5	0	0	0	113.3	Y708 F731 F811 L854	Y708-P809 HydrophobicContact CD2-CB 3.81Å; Y708-P809 HydrophobicContact CD2-CG 4.22Å; Y708-P809 HydrophobicContact CG-CB 4.16Å; F731-P809 WeakPolarHBondContact O-CD 3.33Å; F731-P809 WeakPolarHBondContact O-CG 3.3Å; P809-F811 HydrophobicContact CB-CD2 4.16Å; P809-F811 VanDerWaalsContact O-CD2 3.32Å; P809-F811 WeakPolarHBondContact O-CD2 3.32Å; P809-F811 VanDerWaalsContact O-CE2 3.32Å; P809-F811 WeakPolarHBondContact O-CE2 3.48Å; P809-L854 HydrophobicContact CB-CD1 4.23Å
810	G	90.9	Very high	86.8	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	85.1	10.6	174.2	0	0	0	0	0	115.4	D808 P830 I831 Y855	D808-G810 PolarHBondContact O-N 3.11Å; D808-G810 PolarHBondContact OD1-N 2.82Å; G810-P830 CarbonylContact O-C 3.57Å; G810-P830 WeakPolarHBondContact O-CA 3.41Å; G810-I831 WeakPolarHBondContact O-CG1 3.35Å; G810-I831 PolarHBondContact O-N 3.28Å; G810-Y855 VanDerWaalsContact CA-CE1 3.42Å
811	F	91.5	Very high	86.4	Confident	5 Å²	5	25.7 Å²	25.7	2%	0.022	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	159.5	-177	-60.7	-63.6	0	0	0	114.5	L427 A430 A431 Y708 T733 P809 V828 S829 R839	L427-F811 HydrophobicContact CB-CE1 4.36Å; L427-F811 HydrophobicContact CD2-CE1 4.33Å; L427-F811 HydrophobicContact CD2-CZ 4.03Å; L427-F811 VanDerWaalsContact O-CE1 3.31Å; L427-F811 WeakPolarHBondContact O-CE1 3.2Å; A430-F811 HydrophobicContact CB-CZ 3.97Å; A431-F811 HydrophobicContact CB-CD1 4.17Å; A431-F811 HydrophobicContact CB-CE1 3.85Å; Y708-F811 AromaticContact CD1-CD2 3.69Å; Y708-F811 HydrophobicContact CD1-CD2 3.69Å; Y708-F811 AromaticContact CD1-CE2 3.41Å; Y708-F811 HydrophobicContact CD1-CE2 3.41Å; Y708-F811 VanDerWaalsContact CD1-CE2 3.41Å; Y708-F811 HydrophobicContact CD1-CZ 4.36Å; Y708-F811 AromaticContact CD2-CD2 3.9Å; Y708-F811 HydrophobicContact CD2-CD2 3.9Å; Y708-F811 HydrophobicContact CD2-CE2 4.31Å; Y708-F811 AromaticContact CE1-CD2 3.86Å; Y708-F811 HydrophobicContact CE1-CD2 3.86Å; Y708-F811 AromaticContact CE1-CE2 3.92Å; Y708-F811 HydrophobicContact CE1-CE2 3.92Å; Y708-F811 HydrophobicContact CE2-CD2 4.08Å; Y708-F811 AromaticContact CG-CD2 3.71Å; Y708-F811 HydrophobicContact CG-CD2 3.71Å; Y708-F811 AromaticContact CG-CE2 3.64Å; Y708-F811 HydrophobicContact CG-CE2 3.64Å; T733-F811 HydrophobicContact CG2-CB 3.62Å; P809-F811 HydrophobicContact CB-CD2 4.16Å; P809-F811 VanDerWaalsContact O-CD2 3.32Å; P809-F811 WeakPolarHBondContact O-CD2 3.32Å; P809-F811 VanDerWaalsContact O-CE2 3.32Å; P809-F811 WeakPolarHBondContact O-CE2 3.48Å; F811-V828 HydrophobicContact CB-CG1 4.09Å; F811-V828 HydrophobicContact CD1-CG1 4.15Å; F811-V828 HydrophobicContact CG-CG1 4.28Å; F811-S829 WeakPolarHBondContact CA-O 3.38Å; F811-R839 PolarHBondContact O-NH1 3.32Å; F811-R839 PolarHBondContact O-NH2 2.92Å
812	V	90.6	Very high	86.1	Confident	5 Å²	5	24.7 Å²	24.7	3%	0.03	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.7	174.3	58.9	0	0	0	0	110.1	N792 Q814 S829 I831	N792-V812 HydrophobicContact CB-CG2 4.24Å; V812-Q814 HydrophobicContact CG1-CG 3.87Å; V812-Q814 HydrophobicContact CG2-CG 4.42Å; V812-S829 PolarHBondContact N-O 3.29Å; V812-S829 PolarHBondContact O-N 2.87Å; V812-I831 HydrophobicContact CB-CG2 3.92Å; V812-I831 HydrophobicContact CG1-CG2 3.72Å
813	K	87.6	Confident	85.6	Confident	70 Å²	70	24.6 Å²	24.6	30%	0.304	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121	168	-87.9	168	174.7	148.7	0	109.7	T733 E737 V827 V828	T733-K813 VanDerWaalsContact OG1-CD 3.29Å; T733-K813 WeakPolarHBondContact OG1-CD 3.44Å; T733-K813 WeakPolarHBondContact OG1-CE 3.38Å; T733-K813 PolarHBondContact OG1-NZ 3.31Å; T733-K813 VanDerWaalsContact OG1-NZ 3.1Å; E737-K813 IonicContact OE1-NZ 3.22Å; E737-K813 PolarHBondContact OE1-NZ 2.84Å; K813-V827 WeakPolarHBondContact CA-O 3.29Å; K813-V828 HydrophobicContact CD-CG2 4.27Å; K813-V828 VanDerWaalsContact CE-CG2 3.45Å; K813-V828 HydrophobicContact CG-CG2 3.74Å
814	Q	83.9	Confident	85	Confident	20 Å²	20	26.9 Å²	26.9	9%	0.093	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.5	179.1	-57.7	-161.7	18	0	0	111	V812 L826 V827 S829 R874	V812-Q814 HydrophobicContact CG1-CG 3.87Å; V812-Q814 HydrophobicContact CG2-CG 4.42Å; Q814-L826 WeakPolarHBondContact O-CA 3.17Å; Q814-V827 PolarHBondContact N-O 3.23Å; Q814-V827 PolarHBondContact O-N 2.73Å; Q814-S829 PolarHBondContact NE2-OG 3.44Å; Q814-R874 VanDerWaalsContact OE1-CZ 3.26Å; Q814-R874 VanDerWaalsContact OE1-NH1 3.15Å
815	K	84.1	Confident	84.4	Confident	84 Å²	84	25.3 Å²	25.3	37%	0.365	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.5	167.5	-160.3	-179.7	-175.9	-156.5	0	109.3	D824 S825 L826 R874	K815-D824 VanDerWaalsContact CE-CB 3.46Å; K815-D824 WeakPolarHBondContact CE-OD1 3.48Å; K815-D824 WeakPolarHBondContact CE-OD2 2.98Å; K815-D824 IonicContact NZ-OD1 3.85Å; K815-D824 PolarHBondContact NZ-OD1 2.95Å; K815-D824 IonicContact NZ-OD2 3.82Å; K815-D824 PolarHBondContact NZ-OD2 2.84Å; K815-S825 CarbonylContact C-O 3.45Å; K815-S825 WeakPolarHBondContact CA-O 3.31Å; K815-L826 HydrophobicContact CB-CD2 4.09Å; K815-L826 HydrophobicContact CG-CD2 4.3Å; K815-R874 PolarHBondContact O-NH1 3.34Å
816	I	85.8	Confident	83.7	Confident	22 Å²	22	30.7 Å²	30.7	11%	0.113	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	111.1	175.2	-54.6	177.3	0	0	0	107.7	V419 S825 V827 R874	V419-I816 HydrophobicContact CB-CD1 4.26Å; V419-I816 HydrophobicContact CG2-CD1 3.66Å; V419-I816 HydrophobicContact CG2-CG1 4.12Å; I816-S825 PolarHBondContact N-O 3.15Å; I816-S825 PolarHBondContact O-N 3.17Å; I816-S825 PolarHBondContact O-OG 3.28Å; I816-V827 HydrophobicContact CD1-CB 4.02Å; I816-V827 HydrophobicContact CD1-CG2 4.11Å; I816-R874 WeakPolarHBondContact CA-O 3.31Å
817	Y	82.8	Confident	83.1	Confident	19 Å²	19	33.7 Å²	33.7	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.7	170.3	-179.9	-116.6	0	0	0	109.9	P819 M823 D824 R874 N876	Y817-P819 HydrophobicContact CD1-CB 4.4Å; Y817-P819 HydrophobicContact CE1-CB 3.98Å; Y817-P819 WeakPolarHBondContact O-CD 3.21Å; Y817-M823 WeakPolarHBondContact CA-O 3.26Å; Y817-D824 WeakPolarHBondContact CD2-OD1 3.2Å; Y817-R874 PolarHBondContact N-O 2.69Å; Y817-N876 HydrophobicContact CD1-CB 4.01Å; Y817-N876 HydrophobicContact CD2-CB 3.89Å; Y817-N876 HydrophobicContact CE1-CB 3.98Å; Y817-N876 HydrophobicContact CE2-CB 3.86Å; Y817-N876 HydrophobicContact CG-CB 3.97Å; Y817-N876 PolarHBondContact OH-ND2 3.16Å
818	N	80	Confident	82.7	Confident	45 Å²	45	34.1 Å²	34.1	24%	0.241	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.2	168.4	-176.8	-1.8	0	0	0	108.8	K820 T821 G822 M823	N818-K820 VanDerWaalsContact C-N 3.31Å; N818-K820 PolarHBondContact O-N 2.85Å; N818-K820 PolarHBondContact OD1-N 2.94Å; N818-T821 PolarHBondContact ND2-OG1 3.43Å; N818-T821 PolarHBondContact O-N 2.82Å; N818-G822 PolarHBondContact O-N 3.11Å; N818-G822 VanDerWaalsContact O-N 3.11Å; N818-M823 PolarHBondContact N-O 3.22Å; N818-M823 PolarHBondContact O-N 3.08Å
819	P	75.1	Confident	82.3	Confident	20 Å²	20	34.2 Å²	34.2	13%	0.13	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-36	-174.8	26.5	-34.6	0	0	0	112.4	Y817 T821 G822 M908	Y817-P819 HydrophobicContact CD1-CB 4.4Å; Y817-P819 HydrophobicContact CE1-CB 3.98Å; Y817-P819 WeakPolarHBondContact O-CD 3.21Å; P819-T821 VanDerWaalsContact C-N 3.35Å; P819-T821 PolarHBondContact O-N 3.24Å; P819-G822 PolarHBondContact O-N 2.92Å; P819-M908 VanDerWaalsContact C-SD 3.59Å; P819-M908 HydrophobicContact CB-SD 3.84Å; P819-M908 WeakPolarHBondContact O-CE 3.22Å; P819-M908 VanDerWaalsContact O-SD 3.41Å
820	K	73	Confident	82.2	Confident	74 Å²	74	34.9 Å²	34.9	32%	0.322	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-48	178	-87	-176.7	161.2	160.3	0	112.3	C411 Q412 L414 N818	C411-K820 WeakPolarHBondContact O-CE 3.3Å; Q412-K820 WeakPolarHBondContact O-CE 3.41Å; Q412-K820 PolarHBondContact O-NZ 2.8Å; L414-K820 HydrophobicContact CB-CD 3.91Å; L414-K820 HydrophobicContact CB-CG 4.02Å; L414-K820 HydrophobicContact CD1-CD 4.45Å; L414-K820 HydrophobicContact CD1-CG 3.71Å; L414-K820 HydrophobicContact CG-CG 4.32Å; L414-K820 VanDerWaalsContact N-NZ 3.2Å; L414-K820 PolarHBondContact O-NZ 3.34Å; N818-K820 VanDerWaalsContact C-N 3.31Å; N818-K820 PolarHBondContact O-N 2.85Å; N818-K820 PolarHBondContact OD1-N 2.94Å
821	T	72.7	Confident	82.3	Confident	27 Å²	27	35 Å²	35	17%	0.166	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	2.7	-170.7	69.7	0	0	0	0	113.4	N818 P819 M823 D1081	N818-T821 PolarHBondContact ND2-OG1 3.43Å; N818-T821 PolarHBondContact O-N 2.82Å; P819-T821 VanDerWaalsContact C-N 3.35Å; P819-T821 PolarHBondContact O-N 3.24Å; T821-M823 HydrophobicContact CG2-CE 4.42Å; T821-M823 PolarHBondContact O-N 3.29Å; T821-M823 WeakPolarHBondContact OG1-CB 3.48Å; T821-D1081 VanDerWaalsContact CA-OD2 3.27Å; T821-D1081 WeakPolarHBondContact CA-OD2 3.38Å
822	G	72.7	Confident	82.2	Confident	35 Å²	35	35 Å²	35	36%	0.361	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	12.1	-172.4	0	0	0	0	0	115.3	N818 P819	N818-G822 PolarHBondContact O-N 3.11Å; N818-G822 VanDerWaalsContact O-N 3.11Å; P819-G822 PolarHBondContact O-N 2.92Å
823	M	74.6	Confident	82.1	Confident	17 Å²	17	36.5 Å²	36.5	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.4	-171.8	-75.1	-162.9	-81.4	0	0	112.4	Y817 N818 T821 L1106 M1108 E1112	Y817-M823 WeakPolarHBondContact CA-O 3.26Å; N818-M823 PolarHBondContact N-O 3.22Å; N818-M823 PolarHBondContact O-N 3.08Å; T821-M823 HydrophobicContact CG2-CE 4.42Å; T821-M823 PolarHBondContact O-N 3.29Å; T821-M823 WeakPolarHBondContact OG1-CB 3.48Å; M823-L1106 HydrophobicContact CG-CD2 3.9Å; M823-L1106 HydrophobicContact CG-CG 4.28Å; M823-L1106 HydrophobicContact SD-CD2 3.76Å; M823-L1106 HydrophobicContact SD-CG 4.01Å; M823-M1108 HydrophobicContact CE-CE 4.1Å; M823-E1112 HydrophobicContact SD-CG 4.19Å
824	D	77.6	Confident	82.1	Confident	50 Å²	50	34.1 Å²	34.1	27%	0.267	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112	166.4	-84.7	-44.1	0	0	0	110.1	K815 Y817	K815-D824 VanDerWaalsContact CE-CB 3.46Å; K815-D824 WeakPolarHBondContact CE-OD1 3.48Å; K815-D824 WeakPolarHBondContact CE-OD2 2.98Å; K815-D824 IonicContact NZ-OD1 3.85Å; K815-D824 PolarHBondContact NZ-OD1 2.95Å; K815-D824 IonicContact NZ-OD2 3.82Å; K815-D824 PolarHBondContact NZ-OD2 2.84Å; Y817-D824 WeakPolarHBondContact CD2-OD1 3.2Å
825	S	77.9	Confident	82.3	Confident	23 Å²	23	34 Å²	34	16%	0.161	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.9	177.5	67.5	0	0	0	0	112	K815 I816	K815-S825 CarbonylContact C-O 3.45Å; K815-S825 WeakPolarHBondContact CA-O 3.31Å; I816-S825 PolarHBondContact N-O 3.15Å; I816-S825 PolarHBondContact O-N 3.17Å; I816-S825 PolarHBondContact O-OG 3.28Å
826	L	80.1	Confident	82.6	Confident	128 Å²	128	30 Å²	30	67%	0.67	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	92.2	174.3	-75.5	172.1	0	0	0	109.6	Q814 K815	Q814-L826 WeakPolarHBondContact O-CA 3.17Å; K815-L826 HydrophobicContact CB-CD2 4.09Å; K815-L826 HydrophobicContact CG-CD2 4.3Å
827	V	82.7	Confident	82.7	Confident	64 Å²	64	34.2 Å²	34.2	39%	0.388	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.2	-172.1	-176.9	0	0	0	0	110.2	K813 Q814 I816 S829	K813-V827 WeakPolarHBondContact CA-O 3.29Å; Q814-V827 PolarHBondContact N-O 3.23Å; Q814-V827 PolarHBondContact O-N 2.73Å; I816-V827 HydrophobicContact CD1-CB 4.02Å; I816-V827 HydrophobicContact CD1-CG2 4.11Å; V827-S829 PolarHBondContact O-N 3.46Å
828	V	86.2	Confident	82.9	Confident	9 Å²	9	34.4 Å²	34.4	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	119.1	167.1	177.8	0	0	0	0	108.2	A431 T733 F811 K813	A431-V828 HydrophobicContact CB-CG1 4.03Å; T733-V828 HydrophobicContact CG2-CG1 4.29Å; F811-V828 HydrophobicContact CB-CG1 4.09Å; F811-V828 HydrophobicContact CD1-CG1 4.15Å; F811-V828 HydrophobicContact CG-CG1 4.28Å; K813-V828 HydrophobicContact CD-CG2 4.27Å; K813-V828 VanDerWaalsContact CE-CG2 3.45Å; K813-V828 HydrophobicContact CG-CG2 3.74Å
829	S	86.3	Confident	83.4	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	157	173	82.3	0	0	0	0	110.8	F811 V812 Q814 V827	F811-S829 WeakPolarHBondContact CA-O 3.38Å; V812-S829 PolarHBondContact N-O 3.29Å; V812-S829 PolarHBondContact O-N 2.87Å; Q814-S829 PolarHBondContact NE2-OG 3.44Å; V827-S829 PolarHBondContact O-N 3.46Å
830	P	91.2	Very high	84	Confident	13 Å²	13	31.6 Å²	31.6	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	156.4	157.8	27.5	-34.5	0	0	0	110.8	V420 L427 G810	V420-P830 HydrophobicContact CG1-CG 4.22Å; V420-P830 HydrophobicContact CG2-CG 4.37Å; L427-P830 HydrophobicContact CB-CB 4.27Å; L427-P830 HydrophobicContact CD1-CB 4.23Å; G810-P830 CarbonylContact O-C 3.57Å; G810-P830 WeakPolarHBondContact O-CA 3.41Å
831	I	91.8	Very high	84.6	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-81.7	163.3	171.8	64.7	-175.9	0	0	0	112.1	D808 G810 V812 Q835 A836 M864	D808-I831 WeakPolarHBondContact OD2-CD1 3.45Å; G810-I831 WeakPolarHBondContact O-CG1 3.35Å; G810-I831 PolarHBondContact O-N 3.28Å; V812-I831 HydrophobicContact CB-CG2 3.92Å; V812-I831 HydrophobicContact CG1-CG2 3.72Å; I831-Q835 HydrophobicContact CB-CB 4.15Å; I831-A836 HydrophobicContact CD1-CB 3.65Å; I831-A836 HydrophobicContact CG1-CB 4.22Å; I831-M864 HydrophobicContact CG1-CE 3.89Å; I831-M864 HydrophobicContact CG1-SD 4.13Å; I831-M864 WeakPolarHBondContact O-CG 3.14Å
832	S	89.7	Confident	85.2	Confident	4 Å²	4	28.1 Å²	28.1	3%	0.028	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-80.2	158	166.1	63.3	0	0	0	0	112.5	A834 Q835 A836 L865 S867 P868	S832-A834 PolarHBondContact O-N 2.65Å; S832-Q835 PolarHBondContact O-N 3.09Å; S832-Q835 VanDerWaalsContact O-N 3.1Å; S832-Q835 WeakPolarHBondContact OG-CG 3.38Å; S832-Q835 PolarHBondContact OG-N 2.81Å; S832-Q835 PolarHBondContact OG-OE1 2.88Å; S832-A836 PolarHBondContact O-N 2.87Å; S832-L865 CarbonylContact C-O 3.37Å; S832-L865 WeakPolarHBondContact CA-O 3.01Å; S832-L865 VanDerWaalsContact CB-O 3.31Å; S832-L865 WeakPolarHBondContact CB-O 3.39Å; S832-S867 WeakPolarHBondContact CB-O 3.38Å; S832-P868 WeakPolarHBondContact OG-CD 3.4Å
833	Q	89.5	Confident	85.9	Confident	37 Å²	37	26.5 Å²	26.5	17%	0.173	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-33.6	174.8	-63	179.4	3.4	0	0	112.2	K837 Y860 M864 L865	Q833-K837 VanDerWaalsContact O-CG 3.27Å; Q833-K837 WeakPolarHBondContact O-CG 3.37Å; Q833-K837 PolarHBondContact O-N 3.48Å; Q833-Y860 HydrophobicContact CB-CE2 3.94Å; Q833-Y860 HydrophobicContact CG-CD2 4.23Å; Q833-Y860 HydrophobicContact CG-CE2 3.81Å; Q833-Y860 WeakPolarHBondContact CG-O 3.41Å; Q833-Y860 PolarHBondContact NE2-O 3.13Å; Q833-M864 HydrophobicContact CG-CB 4.05Å; Q833-L865 PolarHBondContact N-O 2.91Å
834	A	86.1	Confident	86.2	Confident	19 Å²	19	25.7 Å²	25.7	16%	0.157	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-48.7	173	0	0	0	0	0	111.9	S832 K837 Q838 P866	S832-A834 PolarHBondContact O-N 2.65Å; A834-K837 WeakPolarHBondContact O-CB 3.11Å; A834-K837 PolarHBondContact O-N 3.3Å; A834-Q838 WeakPolarHBondContact O-CG 3.5Å; A834-Q838 PolarHBondContact O-N 3.11Å; A834-Q838 VanDerWaalsContact O-N 3.09Å; A834-P866 WeakPolarHBondContact CB-O 3.41Å; A834-P866 PolarHBondContact N-O 2.69Å
835	Q	88.3	Confident	86.2	Confident	18 Å²	18	25.3 Å²	25.3	8%	0.084	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-43.1	176.8	-66.9	168.6	-82.3	0	0	111.5	E795 I831 S832 K837 Q838 R839	E795-Q835 VanDerWaalsContact OE1-CG 3.29Å; E795-Q835 WeakPolarHBondContact OE1-CG 3.37Å; E795-Q835 PolarHBondContact OE1-NE2 3.21Å; I831-Q835 HydrophobicContact CB-CB 4.15Å; S832-Q835 PolarHBondContact O-N 3.09Å; S832-Q835 VanDerWaalsContact O-N 3.1Å; S832-Q835 WeakPolarHBondContact OG-CG 3.38Å; S832-Q835 PolarHBondContact OG-N 2.81Å; S832-Q835 PolarHBondContact OG-OE1 2.88Å; Q835-K837 PolarHBondContact O-N 3.14Å; Q835-Q838 CarbonylContact O-C 3.59Å; Q835-Q838 WeakPolarHBondContact O-CA 3.2Å; Q835-Q838 PolarHBondContact O-N 2.81Å; Q835-R839 WeakPolarHBondContact O-CG 3.26Å; Q835-R839 PolarHBondContact O-N 3.49Å
836	A	90.5	Very high	86.1	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-32.3	175.6	0	0	0	0	0	112.9	I831 S832 A840 R853 Y860	I831-A836 HydrophobicContact CD1-CB 3.65Å; I831-A836 HydrophobicContact CG1-CB 4.22Å; S832-A836 PolarHBondContact O-N 2.87Å; A836-A840 WeakPolarHBondContact O-CB 3.2Å; A836-A840 PolarHBondContact O-N 3.44Å; A836-R853 PolarHBondContact O-NH2 3.23Å; A836-Y860 HydrophobicContact CB-CD2 4.44Å; A836-Y860 HydrophobicContact CB-CE2 3.94Å
837	K	87.8	Confident	86.2	Confident	110 Å²	110	20.9 Å²	20.9	48%	0.478	12%	0.116	S	C	.	.	H	α-helix	trans	-72.2	-39.5	171.7	-70.8	165.1	-173.7	173.9	0	111.7	Q833 A834 Q835 A840 G841 Y860	Q833-K837 VanDerWaalsContact O-CG 3.27Å; Q833-K837 WeakPolarHBondContact O-CG 3.37Å; Q833-K837 PolarHBondContact O-N 3.48Å; A834-K837 WeakPolarHBondContact O-CB 3.11Å; A834-K837 PolarHBondContact O-N 3.3Å; Q835-K837 PolarHBondContact O-N 3.14Å; K837-A840 PolarHBondContact O-N 3.11Å; K837-G841 PolarHBondContact O-N 3.41Å; K837-Y860 VanDerWaalsContact CE-OH 3.31Å; K837-Y860 WeakPolarHBondContact CE-OH 3.16Å
838	Q	86.8	Confident	86.4	Confident	23 Å²	23	21.9 Å²	21.9	11%	0.107	12%	0.124	C	C	.	.	H	α-helix	trans	-69.5	-33.6	177.8	-68.1	-174.9	-44.7	0	0	113.7	H640 T671 T796 A834 Q835 R842	H640-Q838 PolarHBondContact CD2-NE2 3.34Å; H640-Q838 PolarHBondContact NE2-NE2 2.78Å; T671-Q838 HydrophobicContact CG2-CG 4.45Å; T796-Q838 VanDerWaalsContact CG2-OE1 3.3Å; A834-Q838 WeakPolarHBondContact O-CG 3.5Å; A834-Q838 PolarHBondContact O-N 3.11Å; A834-Q838 VanDerWaalsContact O-N 3.09Å; Q835-Q838 CarbonylContact O-C 3.59Å; Q835-Q838 WeakPolarHBondContact O-CA 3.2Å; Q835-Q838 PolarHBondContact O-N 2.81Å; Q838-R842 PolarHBondContact O-N 3.09Å; Q838-R842 PolarHBondContact O-NE 3.09Å; Q838-R842 VanDerWaalsContact O-NE 3.11Å
839	R	90.4	Very high	86.6	Confident	1 Å²	1	21.8 Å²	21.8	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-53.2	170.2	-68.9	-174.7	178	-170.7	-0.8	110.9	F731 E795 D808 F811 Q835 G841 R842	F731-R839 HydrophobicContact CD1-CG 4.25Å; F731-R839 HydrophobicContact CD2-CB 4.07Å; F731-R839 HydrophobicContact CD2-CG 3.93Å; F731-R839 HydrophobicContact CE1-CG 3.99Å; F731-R839 HydrophobicContact CE2-CB 3.62Å; F731-R839 HydrophobicContact CE2-CG 3.65Å; F731-R839 HydrophobicContact CG-CG 4.21Å; F731-R839 HydrophobicContact CZ-CB 4.02Å; F731-R839 HydrophobicContact CZ-CG 3.68Å; E795-R839 HydrophobicContact CG-CG 4.04Å; E795-R839 IonicContact OE2-CZ 3.78Å; E795-R839 IonicContact OE2-NE 2.73Å; E795-R839 PolarHBondContact OE2-NE 3.02Å; E795-R839 IonicContact OE2-NH2 3.77Å; E795-R839 PolarHBondContact OE2-NH2 3.05Å; D808-R839 VanDerWaalsContact CG-CD 3.46Å; D808-R839 VanDerWaalsContact OD1-CD 3.27Å; D808-R839 WeakPolarHBondContact OD1-CD 3.15Å; D808-R839 IonicContact OD1-CZ 2.7Å; D808-R839 IonicContact OD1-NE 2.87Å; D808-R839 IonicContact OD1-NH1 2.82Å; D808-R839 PolarHBondContact OD1-NH1 2.88Å; D808-R839 WeakPolarHBondContact OD2-CD 3.35Å; F811-R839 PolarHBondContact O-NH1 3.32Å; F811-R839 PolarHBondContact O-NH2 2.92Å; Q835-R839 WeakPolarHBondContact O-CG 3.26Å; Q835-R839 PolarHBondContact O-N 3.49Å; R839-G841 VanDerWaalsContact C-N 3.3Å; R839-G841 PolarHBondContact O-N 3.1Å; R839-R842 VanDerWaalsContact O-CB 3.28Å; R839-R842 WeakPolarHBondContact O-CB 3.44Å; R839-R842 VanDerWaalsContact O-CG 3.26Å; R839-R842 WeakPolarHBondContact O-CG 3.34Å; R839-R842 PolarHBondContact O-N 2.84Å
840	A	88.9	Confident	86.9	Confident	6 Å²	6	24.1 Å²	24.1	5%	0.05	14%	0.135	C	C	.	.	H	α-helix	trans	-57.1	-42.8	175.2	0	0	0	0	0	112.3	A836 K837 R842 A843 C851	A836-A840 WeakPolarHBondContact O-CB 3.2Å; A836-A840 PolarHBondContact O-N 3.44Å; K837-A840 PolarHBondContact O-N 3.11Å; A840-R842 PolarHBondContact O-N 2.96Å; A840-A843 PolarHBondContact O-N 2.75Å; A840-A843 VanDerWaalsContact O-N 3.09Å; A840-C851 HydrophobicContact CB-CB 3.94Å
841	G	85	Confident	87.1	Confident	24 Å²	24	23.5 Å²	23.5	25%	0.247	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-2.2	176.3	0	0	0	0	0	115.6	K837 R839	K837-G841 PolarHBondContact O-N 3.41Å; R839-G841 VanDerWaalsContact C-N 3.3Å; R839-G841 PolarHBondContact O-N 3.1Å
842	R	86	Confident	87.3	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.015	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-36.3	167.9	-59.4	-63.8	124.7	155.6	-13.6	112.2	L729 F731 A794 E795 L798 V806 Q838 R839 A840 R845	L729-R842 HydrophobicContact CD2-CB 3.9Å; L729-R842 HydrophobicContact CD2-CG 3.84Å; F731-R842 HydrophobicContact CZ-CG 4.12Å; A794-R842 VanDerWaalsContact O-CD 3.3Å; A794-R842 WeakPolarHBondContact O-CD 3.49Å; A794-R842 PolarHBondContact O-NH1 2.87Å; E795-R842 VanDerWaalsContact C-CZ 3.44Å; E795-R842 VanDerWaalsContact C-NH1 3.33Å; E795-R842 PolarHBondContact O-NE 3.39Å; E795-R842 PolarHBondContact O-NH1 3.13Å; E795-R842 PolarHBondContact O-NH2 2.74Å; L798-R842 PolarHBondContact O-NH1 2.86Å; V806-R842 HydrophobicContact CG2-CB 3.97Å; Q838-R842 PolarHBondContact O-N 3.09Å; Q838-R842 PolarHBondContact O-NE 3.09Å; Q838-R842 VanDerWaalsContact O-NE 3.11Å; R839-R842 VanDerWaalsContact O-CB 3.28Å; R839-R842 WeakPolarHBondContact O-CB 3.44Å; R839-R842 VanDerWaalsContact O-CG 3.26Å; R839-R842 WeakPolarHBondContact O-CG 3.34Å; R839-R842 PolarHBondContact O-N 2.84Å; A840-R842 PolarHBondContact O-N 2.96Å; R842-R845 VanDerWaalsContact NH1-NH2 3.12Å
843	A	86.3	Confident	87.5	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-68.6	-42.1	-177.8	0	0	0	0	0	112.5	V696 I803 V806 A840 R845	V696-A843 HydrophobicContact CG1-CB 4.05Å; V696-A843 HydrophobicContact CG2-CB 4.04Å; I803-A843 VanDerWaalsContact O-O 3.11Å; V806-A843 HydrophobicContact CG2-CB 3.89Å; A840-A843 PolarHBondContact O-N 2.75Å; A840-A843 VanDerWaalsContact O-N 3.09Å; A843-R845 PolarHBondContact O-N 2.66Å
844	G	80.9	Confident	87.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-74	11.4	-174.1	0	0	0	0	0	115.7	T693 F694 V696	T693-G844 CarbonylContact C-O 3.54Å; T693-G844 VanDerWaalsContact CA-O 3.26Å; T693-G844 WeakPolarHBondContact CA-O 3.47Å; F694-G844 PolarHBondContact N-O 2.62Å; F694-G844 WeakPolarHBondContact O-CA 3.38Å; V696-G844 VanDerWaalsContact CG2-CA 3.43Å; V696-G844 VanDerWaalsContact CG2-N 3.26Å
845	R	77.8	Confident	87.9	Confident	43 Å²	43	23 Å²	23	16%	0.162	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-84.6	-40.2	-170.9	-76.3	171.4	164.9	-175.4	-12.7	114.4	T542 L798 R842 A843	T542-R845 VanDerWaalsContact CB-NH2 3.28Å; T542-R845 PolarHBondContact OG1-NE 2.67Å; T542-R845 PolarHBondContact OG1-NH2 3.39Å; L798-R845 PolarHBondContact O-NH1 3.4Å; L798-R845 PolarHBondContact O-NH2 3.23Å; R842-R845 VanDerWaalsContact NH1-NH2 3.12Å; A843-R845 PolarHBondContact O-N 2.66Å
846	T	75.9	Confident	88	Confident	54 Å²	54	23.3 Å²	23.3	33%	0.331	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-20	-177.7	39.4	0	0	0	0	113.7	D801 I803	D801-T846 HydrophobicContact CB-CG2 4.05Å; I803-T846 PolarHBondContact O-OG1 3.36Å
847	G	81.7	Confident	88.1	Confident	4 Å²	4	27.1 Å²	27.1	4%	0.041	14%	0.144	C	C	.	.	S	Bend	trans	-176.8	179.4	177	0	0	0	0	0	110.9	F694 G849	F694-G847 WeakPolarHBondContact CB-O 3.46Å; F694-G847 VanDerWaalsContact CD2-CA 3.41Å; F694-G847 VanDerWaalsContact CG-C 3.5Å; G847-G849 PolarHBondContact O-N 3.1Å
848	P	87.7	Confident	88.2	Confident	84 Å²	84	30.6 Å²	30.6	55%	0.545	15%	0.154	S	C	.	.	S	Bend	trans	-65.6	131	178.5	28.1	-34.2	0	0	0	110.2	F694 P695 F804	F694-P848 HydrophobicContact CB-CB 4.28Å; P695-P848 HydrophobicContact CG-CB 4.49Å; P695-P848 WeakPolarHBondContact O-CA 3.45Å; F804-P848 WeakPolarHBondContact CD1-O 3.11Å
849	G	89.7	Confident	88.2	Confident	8 Å²	8	29.6 Å²	29.6	8%	0.082	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	179.6	-167.9	0	0	0	0	0	114.4	P695 V696 E697 F804 G847	P695-G849 PolarHBondContact O-N 2.59Å; V696-G849 VanDerWaalsContact CA-O 3.31Å; V696-G849 WeakPolarHBondContact CA-O 3.36Å; E697-G849 PolarHBondContact N-O 3.41Å; F804-G849 CarbonylContact O-C 3.44Å; F804-G849 WeakPolarHBondContact O-CA 3.44Å; G847-G849 PolarHBondContact O-N 3.1Å
850	K	93.6	Very high	88.2	Confident	50 Å²	50	30.7 Å²	30.7	22%	0.217	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.6	178.2	-62.3	-175.9	171.7	164.7	0	111.3	E697 E723 F804 Y805 V806 Y852	E697-K850 HydrophobicContact CB-CG 4.25Å; E697-K850 CarbonylContact O-C 3.43Å; E697-K850 WeakPolarHBondContact O-CA 3.26Å; E697-K850 WeakPolarHBondContact OE2-CE 3.28Å; E723-K850 IonicContact OE1-NZ 3.84Å; E723-K850 PolarHBondContact OE1-NZ 2.79Å; E723-K850 IonicContact OE2-NZ 2.71Å; E723-K850 PolarHBondContact OE2-NZ 3.23Å; F804-K850 PolarHBondContact O-N 3.43Å; Y805-K850 WeakPolarHBondContact CA-O 3.47Å; Y805-K850 HydrophobicContact CD1-CB 4.08Å; Y805-K850 HydrophobicContact CE1-CB 4.36Å; Y805-K850 HydrophobicContact CE1-CD 4.22Å; Y805-K850 HydrophobicContact CE1-CG 4.39Å; V806-K850 PolarHBondContact N-O 2.88Å; K850-Y852 HydrophobicContact CB-CD2 4.49Å; K850-Y852 HydrophobicContact CB-CE2 3.73Å; K850-Y852 VanDerWaalsContact CD-OH 3.28Å; K850-Y852 WeakPolarHBondContact CD-OH 3.48Å
851	C	94.8	Very high	88.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	112.9	174.9	-179.4	0	0	0	0	109.7	V696 E697 M699 V806 A840	V696-C851 HydrophobicContact CG1-CB 3.76Å; E697-C851 PolarHBondContact O-N 3.18Å; M699-C851 PolarHBondContact N-O 3Å; V806-C851 HydrophobicContact CB-CB 4.4Å; V806-C851 CarbonylContact O-C 3.58Å; V806-C851 WeakPolarHBondContact O-CA 3.2Å; A840-C851 HydrophobicContact CB-CB 3.94Å
852	Y	95.1	Very high	88.3	Confident	38 Å²	38	39.4 Å²	39.4	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114	177.3	-55.3	-98.2	0	0	0	108.7	M699 I719 E723 Y805 V806 D808 K850	M699-Y852 HydrophobicContact CB-CD1 4.11Å; M699-Y852 HydrophobicContact CG-CD1 4.34Å; M699-Y852 HydrophobicContact CG-CE1 4.4Å; I719-Y852 HydrophobicContact CD1-CD2 3.52Å; I719-Y852 HydrophobicContact CD1-CE2 3.43Å; I719-Y852 VanDerWaalsContact CD1-CE2 3.43Å; I719-Y852 HydrophobicContact CD1-CG 4.26Å; I719-Y852 HydrophobicContact CG1-CD2 4.22Å; I719-Y852 HydrophobicContact CG1-CE2 3.66Å; E723-Y852 PolarHBondContact OE1-OH 3.41Å; Y805-Y852 HydrophobicContact CD1-CE2 4.15Å; V806-Y852 PolarHBondContact O-N 3.36Å; D808-Y852 PolarHBondContact N-O 2.64Å; K850-Y852 HydrophobicContact CB-CD2 4.49Å; K850-Y852 HydrophobicContact CB-CE2 3.73Å; K850-Y852 VanDerWaalsContact CD-OH 3.28Å; K850-Y852 WeakPolarHBondContact CD-OH 3.48Å
853	R	94.4	Very high	88.4	Confident	3 Å²	3	40.7 Å²	40.7	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.9	177.3	-68	174.9	168.3	-173.1	-9	109.1	I698 M699 Y700 T701 D808 A836 Y855 Y860	I698-R853 HydrophobicContact CG2-CG 4.43Å; M699-R853 WeakPolarHBondContact O-CB 3.22Å; M699-R853 PolarHBondContact O-N 2.95Å; Y700-R853 HydrophobicContact CD1-CB 4.03Å; Y700-R853 HydrophobicContact CE1-CB 4.5Å; Y700-R853 VanDerWaalsContact CE1-CD 3.5Å; Y700-R853 PolarHBondContact OH-NH1 2.89Å; T701-R853 PolarHBondContact N-O 3.29Å; T701-R853 VanDerWaalsContact N-O 3.17Å; D808-R853 WeakPolarHBondContact O-CA 3.29Å; A836-R853 PolarHBondContact O-NH2 3.23Å; R853-Y855 HydrophobicContact CB-CD1 4.14Å; R853-Y855 HydrophobicContact CB-CD2 4.27Å; R853-Y855 HydrophobicContact CB-CE1 3.77Å; R853-Y855 HydrophobicContact CB-CE2 3.92Å; R853-Y855 HydrophobicContact CB-CG 4.39Å; R853-Y855 WeakPolarHBondContact CD-OH 3.26Å; R853-Y855 HydrophobicContact CG-CE1 4.07Å; R853-Y855 HydrophobicContact CG-CE2 4.17Å; R853-Y855 PolarHBondContact NE-OH 3.26Å; R853-Y855 PolarHBondContact O-N 2.98Å; R853-Y860 VanDerWaalsContact NH1-CE2 3.31Å
854	L	92.1	Very high	88.4	Confident	11 Å²	11	40.7 Å²	40.7	6%	0.058	19%	0.19	C	C	.	.	S	Bend	trans	-83.5	34.5	-175.9	-45.5	-177.9	0	0	0	112.6	E705 A711 S712 T715 V807 D808 P809	E705-L854 HydrophobicContact CG-CB 4.5Å; A711-L854 HydrophobicContact CB-CD1 3.98Å; S712-L854 VanDerWaalsContact OG-CD1 3.25Å; S712-L854 WeakPolarHBondContact OG-CD1 3.4Å; T715-L854 HydrophobicContact CG2-CD2 3.87Å; V807-L854 HydrophobicContact CG1-CD1 4.07Å; V807-L854 HydrophobicContact CG1-CD2 4.44Å; V807-L854 HydrophobicContact CG1-CG 4.35Å; D808-L854 PolarHBondContact O-N 3.29Å; P809-L854 HydrophobicContact CB-CD1 4.23Å
855	Y	91.5	Very high	88.8	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.012	20%	0.201	C	C	.	.	S	Bend	trans	-147.5	151.4	-177.6	50.6	-93.7	0	0	0	109.9	L427 Y700 T701 D808 G810 R853 Y860 M864	L427-Y855 HydrophobicContact CD2-CG 4.42Å; Y700-Y855 HydrophobicContact CD1-CD2 4.49Å; Y700-Y855 HydrophobicContact CD1-CE2 4.5Å; Y700-Y855 WeakPolarHBondContact CD1-O 3.5Å; Y700-Y855 HydrophobicContact CE1-CE2 4.38Å; T701-Y855 VanDerWaalsContact OG1-C 3.3Å; T701-Y855 WeakPolarHBondContact OG1-CA 3.46Å; T701-Y855 PolarHBondContact OG1-N 2.93Å; D808-Y855 WeakPolarHBondContact O-CE1 3.28Å; D808-Y855 PolarHBondContact OD2-OH 2.74Å; G810-Y855 VanDerWaalsContact CA-CE1 3.42Å; R853-Y855 HydrophobicContact CB-CD1 4.14Å; R853-Y855 HydrophobicContact CB-CD2 4.27Å; R853-Y855 HydrophobicContact CB-CE1 3.77Å; R853-Y855 HydrophobicContact CB-CE2 3.92Å; R853-Y855 HydrophobicContact CB-CG 4.39Å; R853-Y855 WeakPolarHBondContact CD-OH 3.26Å; R853-Y855 HydrophobicContact CG-CE1 4.07Å; R853-Y855 HydrophobicContact CG-CE2 4.17Å; R853-Y855 PolarHBondContact NE-OH 3.26Å; R853-Y855 PolarHBondContact O-N 2.98Å; Y855-Y860 HydrophobicContact CE2-CD2 4Å; Y855-Y860 HydrophobicContact CE2-CG 4.33Å; Y855-M864 HydrophobicContact CD1-CE 4.2Å; Y855-M864 HydrophobicContact CD2-CE 3.86Å; Y855-M864 HydrophobicContact CE1-CE 3.95Å; Y855-M864 HydrophobicContact CE2-CE 3.57Å; Y855-M864 HydrophobicContact CE2-SD 4.14Å; Y855-M864 HydrophobicContact CG-CE 4.16Å
856	T	91.8	Very high	89.3	Confident	23 Å²	23	44.9 Å²	44.9	14%	0.141	22%	0.22	C	C	.	.			trans	-69	151.7	-176.5	71.9	0	0	0	0	112	T701 R858 A859 Y860	T701-T856 WeakPolarHBondContact O-CA 3.41Å; T856-R858 PolarHBondContact O-N 2.83Å; T856-A859 PolarHBondContact O-N 3.35Å; T856-A859 VanDerWaalsContact O-N 3.13Å; T856-A859 PolarHBondContact OG1-N 3.49Å; T856-A859 VanDerWaalsContact OG1-N 3.1Å; T856-Y860 PolarHBondContact O-N 3.23Å; T856-Y860 VanDerWaalsContact O-N 3.09Å
857	E	91.1	Very high	89.7	Confident	80 Å²	80	44.9 Å²	44.9	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-30.5	173.8	-168.6	-176.5	-165.1	0	0	111.6	Y700 Y860 R861	Y700-E857 HydrophobicContact CD1-CB 4.1Å; Y700-E857 HydrophobicContact CD2-CB 3.97Å; Y700-E857 HydrophobicContact CD2-CG 4.25Å; Y700-E857 HydrophobicContact CE1-CB 4.26Å; Y700-E857 HydrophobicContact CE1-CG 4.25Å; Y700-E857 HydrophobicContact CE2-CB 4.14Å; Y700-E857 HydrophobicContact CE2-CG 3.9Å; Y700-E857 HydrophobicContact CG-CB 3.95Å; E857-Y860 WeakPolarHBondContact O-CB 3.5Å; E857-Y860 PolarHBondContact O-N 3.38Å; E857-R861 VanDerWaalsContact CD-NH2 3.25Å; E857-R861 WeakPolarHBondContact O-CG 3.39Å; E857-R861 PolarHBondContact O-N 2.8Å; E857-R861 VanDerWaalsContact O-N 3.1Å; E857-R861 IonicContact OE1-CZ 3.99Å; E857-R861 IonicContact OE1-NE 2.62Å; E857-R861 PolarHBondContact OE1-NE 2.9Å; E857-R861 IonicContact OE1-NH2 3.99Å; E857-R861 PolarHBondContact OE1-NH2 2.82Å; E857-R861 IonicContact OE2-CZ 2.83Å; E857-R861 IonicContact OE2-NH2 3.1Å; E857-R861 PolarHBondContact OE2-NH2 3.46Å
858	R	90	Very high	89.9	Confident	184 Å²	184	46.5 Å²	46.5	69%	0.694	23%	0.232	S	C	*	.	H	α-helix	trans	-64.2	-48.1	174.5	-170.5	177.5	-179.9	-170.9	-1.9	111.6	T856 Y860 R861 D862	T856-R858 PolarHBondContact O-N 2.83Å; R858-Y860 VanDerWaalsContact C-N 3.28Å; R858-Y860 PolarHBondContact O-N 3.47Å; R858-R861 PolarHBondContact O-N 2.94Å; R858-R861 VanDerWaalsContact O-N 3.12Å; R858-D862 HydrophobicContact CG-CB 4.44Å; R858-D862 WeakPolarHBondContact CG-OD2 3.45Å; R858-D862 IonicContact CZ-OD2 2.69Å; R858-D862 IonicContact NE-OD2 2.68Å; R858-D862 PolarHBondContact NE-OD2 2.86Å; R858-D862 IonicContact NH2-OD2 3.12Å; R858-D862 WeakPolarHBondContact O-CB 3.17Å; R858-D862 PolarHBondContact O-N 2.98Å
859	A	88.2	Confident	89.9	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-38.2	176.9	0	0	0	0	0	111.9	L427 T856 R861 E863 M864	L427-A859 HydrophobicContact CD1-CB 3.96Å; L427-A859 HydrophobicContact CG-CB 4.09Å; T856-A859 PolarHBondContact O-N 3.35Å; T856-A859 VanDerWaalsContact O-N 3.13Å; T856-A859 PolarHBondContact OG1-N 3.49Å; T856-A859 VanDerWaalsContact OG1-N 3.1Å; A859-R861 VanDerWaalsContact C-N 3.34Å; A859-R861 PolarHBondContact O-N 3.26Å; A859-E863 HydrophobicContact CB-CG 4.38Å; A859-E863 WeakPolarHBondContact O-CA 3.27Å; A859-E863 WeakPolarHBondContact O-CB 3.42Å; A859-E863 PolarHBondContact O-N 3.48Å; A859-M864 PolarHBondContact O-N 3.47Å; A859-M864 VanDerWaalsContact O-N 3.15Å
860	Y	90.4	Very high	89.8	Confident	24 Å²	24	43.7 Å²	43.7	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-38.6	173.6	173.8	-106.1	0	0	0	113.6	Y700 Q833 A836 K837 R853 Y855 T856 E857 R858 M864	Y700-Y860 HydrophobicContact CE1-CD1 4.17Å; Y700-Y860 HydrophobicContact CE1-CG 4.02Å; Q833-Y860 HydrophobicContact CB-CE2 3.94Å; Q833-Y860 HydrophobicContact CG-CD2 4.23Å; Q833-Y860 HydrophobicContact CG-CE2 3.81Å; Q833-Y860 WeakPolarHBondContact CG-O 3.41Å; Q833-Y860 PolarHBondContact NE2-O 3.13Å; A836-Y860 HydrophobicContact CB-CD2 4.44Å; A836-Y860 HydrophobicContact CB-CE2 3.94Å; K837-Y860 VanDerWaalsContact CE-OH 3.31Å; K837-Y860 WeakPolarHBondContact CE-OH 3.16Å; R853-Y860 VanDerWaalsContact NH1-CE2 3.31Å; Y855-Y860 HydrophobicContact CE2-CD2 4Å; Y855-Y860 HydrophobicContact CE2-CG 4.33Å; T856-Y860 PolarHBondContact O-N 3.23Å; T856-Y860 VanDerWaalsContact O-N 3.09Å; E857-Y860 WeakPolarHBondContact O-CB 3.5Å; E857-Y860 PolarHBondContact O-N 3.38Å; R858-Y860 VanDerWaalsContact C-N 3.28Å; R858-Y860 PolarHBondContact O-N 3.47Å; Y860-M864 HydrophobicContact CD2-SD 3.8Å
861	R	88.8	Confident	89.5	Confident	143 Å²	143	44.5 Å²	44.5	54%	0.54	22%	0.216	S	C	.	.	H	α-helix	trans	-82.7	-45.8	179.1	-65.8	174.8	-176.2	-158.9	6.9	112.7	E857 R858 A859	E857-R861 VanDerWaalsContact CD-NH2 3.25Å; E857-R861 WeakPolarHBondContact O-CG 3.39Å; E857-R861 PolarHBondContact O-N 2.8Å; E857-R861 VanDerWaalsContact O-N 3.1Å; E857-R861 IonicContact OE1-CZ 3.99Å; E857-R861 IonicContact OE1-NE 2.62Å; E857-R861 PolarHBondContact OE1-NE 2.9Å; E857-R861 IonicContact OE1-NH2 3.99Å; E857-R861 PolarHBondContact OE1-NH2 2.82Å; E857-R861 IonicContact OE2-CZ 2.83Å; E857-R861 IonicContact OE2-NH2 3.1Å; E857-R861 PolarHBondContact OE2-NH2 3.46Å; R858-R861 PolarHBondContact O-N 2.94Å; R858-R861 VanDerWaalsContact O-N 3.12Å; A859-R861 VanDerWaalsContact C-N 3.34Å; A859-R861 PolarHBondContact O-N 3.26Å
862	D	87.6	Confident	89.2	Confident	69 Å²	69	44.6 Å²	44.6	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-93.3	-38.4	-167.1	-67	-6.4	0	0	0	113	K421 R858	K421-D862 WeakPolarHBondContact CD-O 3.13Å; K421-D862 VanDerWaalsContact CE-O 3.31Å; K421-D862 WeakPolarHBondContact CE-O 3.45Å; K421-D862 PolarHBondContact NZ-O 3.34Å; R858-D862 HydrophobicContact CG-CB 4.44Å; R858-D862 WeakPolarHBondContact CG-OD2 3.45Å; R858-D862 IonicContact CZ-OD2 2.69Å; R858-D862 IonicContact NE-OD2 2.68Å; R858-D862 PolarHBondContact NE-OD2 2.86Å; R858-D862 IonicContact NH2-OD2 3.12Å; R858-D862 WeakPolarHBondContact O-CB 3.17Å; R858-D862 PolarHBondContact O-N 2.98Å
863	E	86.8	Confident	88.9	Confident	31 Å²	31	45.1 Å²	45.1	15%	0.145	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-34.1	-173.4	-60.7	-177.3	-161.7	0	0	113.7	K421 S426 L427 A859	K421-E863 WeakPolarHBondContact CB-O 3.33Å; S426-E863 WeakPolarHBondContact CB-OE1 3.35Å; S426-E863 VanDerWaalsContact N-CD 3.28Å; S426-E863 PolarHBondContact N-OE1 3.28Å; S426-E863 PolarHBondContact N-OE2 3.46Å; S426-E863 PolarHBondContact OG-OE1 2.76Å; S426-E863 PolarHBondContact OG-OE2 3.21Å; L427-E863 WeakPolarHBondContact CB-OE2 3Å; L427-E863 HydrophobicContact CD1-CB 4.23Å; L427-E863 PolarHBondContact N-OE2 3.17Å; A859-E863 HydrophobicContact CB-CG 4.38Å; A859-E863 WeakPolarHBondContact O-CA 3.27Å; A859-E863 WeakPolarHBondContact O-CB 3.42Å; A859-E863 PolarHBondContact O-N 3.48Å
864	M	87.6	Confident	88.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.226	C	C	.	.	S	Bend	trans	-75.6	146.6	179.7	-65.8	-172.7	171.2	0	0	112.9	L427 I831 Q833 Y855 A859 Y860	L427-M864 HydrophobicContact CD1-CE 3.69Å; L427-M864 HydrophobicContact CD1-CG 3.9Å; I831-M864 HydrophobicContact CG1-CE 3.89Å; I831-M864 HydrophobicContact CG1-SD 4.13Å; I831-M864 WeakPolarHBondContact O-CG 3.14Å; Q833-M864 HydrophobicContact CG-CB 4.05Å; Y855-M864 HydrophobicContact CD1-CE 4.2Å; Y855-M864 HydrophobicContact CD2-CE 3.86Å; Y855-M864 HydrophobicContact CE1-CE 3.95Å; Y855-M864 HydrophobicContact CE2-CE 3.57Å; Y855-M864 HydrophobicContact CE2-SD 4.14Å; Y855-M864 HydrophobicContact CG-CE 4.16Å; A859-M864 PolarHBondContact O-N 3.47Å; A859-M864 VanDerWaalsContact O-N 3.15Å; Y860-M864 HydrophobicContact CD2-SD 3.8Å
865	L	88.6	Confident	88.3	Confident	43 Å²	43	46.7 Å²	46.7	23%	0.225	23%	0.228	C	C	.	.			trans	-74.1	147.7	171	-68.4	174.9	0	0	0	111	V419 K421 S832 Q833 S867 V869	V419-L865 WeakPolarHBondContact O-CD1 3.32Å; K421-L865 HydrophobicContact CB-CD2 3.88Å; K421-L865 HydrophobicContact CB-CG 4.43Å; K421-L865 HydrophobicContact CD-CD2 4.49Å; K421-L865 HydrophobicContact CG-CD2 4.25Å; S832-L865 CarbonylContact C-O 3.37Å; S832-L865 WeakPolarHBondContact CA-O 3.01Å; S832-L865 VanDerWaalsContact CB-O 3.31Å; S832-L865 WeakPolarHBondContact CB-O 3.39Å; Q833-L865 PolarHBondContact N-O 2.91Å; L865-S867 PolarHBondContact O-N 2.78Å; L865-V869 HydrophobicContact CD1-CG2 3.78Å
866	P	87.5	Confident	88	Confident	88 Å²	88	48.1 Å²	48.1	57%	0.571	24%	0.236	S	C	*	.	S	Bend	trans	-62.9	-41.8	179.3	-23.7	34.7	0	0	0	113.7	A834	A834-P866 WeakPolarHBondContact CB-O 3.41Å; A834-P866 PolarHBondContact N-O 2.69Å
867	S	85.1	Confident	87.9	Confident	54 Å²	54	47.2 Å²	47.2	38%	0.378	23%	0.23	S	C	.	.	S	Bend	trans	-131.2	159.5	-178.5	47.7	0	0	0	0	110.3	S832 L865	S832-S867 WeakPolarHBondContact CB-O 3.38Å; L865-S867 PolarHBondContact O-N 2.78Å
868	P	86.1	Confident	87.8	Confident	37 Å²	37	43.4 Å²	43.4	24%	0.24	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-71.3	142.3	176.1	29.8	-34.4	0	0	0	110.6	S832	S832-P868 WeakPolarHBondContact OG-CD 3.4Å
869	V	87.2	Confident	87.8	Confident	24 Å²	24	35.6 Å²	35.6	15%	0.145	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-66.1	127.4	172.1	-178.8	0	0	0	0	108.9	L865 Q873 R874	L865-V869 HydrophobicContact CD1-CG2 3.78Å; V869-Q873 HydrophobicContact CG1-CB 4.17Å; V869-R874 HydrophobicContact CG1-CG 3.89Å; V869-R874 PolarHBondContact O-NE 2.86Å; V869-R874 PolarHBondContact O-NH2 2.99Å
870	P	87.7	Confident	87.8	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.058	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-53.3	150.6	-179.8	-29.2	36.8	0	0	0	114	R642 I872 Q873 R874 D899	R642-P870 HydrophobicContact CB-CB 4.25Å; P870-I872 VanDerWaalsContact C-N 3.31Å; P870-I872 HydrophobicContact CB-CG2 4Å; P870-I872 PolarHBondContact O-N 2.98Å; P870-Q873 PolarHBondContact O-N 2.79Å; P870-R874 PolarHBondContact O-NE 3.39Å; P870-D899 HydrophobicContact CG-CB 3.99Å
871	E	87.6	Confident	87.8	Confident	67 Å²	67	34.7 Å²	34.7	31%	0.313	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-67.1	-33.5	-179.2	-173.9	175.3	-136.8	0	0	112.3	R642 T643 I644 Q873 R874 T875	R642-E871 WeakPolarHBondContact O-CB 3.37Å; R642-E871 PolarHBondContact O-N 3.4Å; T643-E871 VanDerWaalsContact CA-OE2 3.23Å; T643-E871 WeakPolarHBondContact CA-OE2 3.44Å; T643-E871 WeakPolarHBondContact CB-OE2 3.31Å; I644-E871 HydrophobicContact CB-CG 4.33Å; I644-E871 PolarHBondContact N-OE2 2.99Å; E871-Q873 PolarHBondContact O-N 3.48Å; E871-R874 PolarHBondContact O-N 3.29Å; E871-T875 HydrophobicContact CG-CG2 3.59Å; E871-T875 PolarHBondContact O-N 3.34Å; E871-T875 PolarHBondContact O-OG1 2.71Å
872	I	88.6	Confident	87.9	Confident	2 Å²	2	28 Å²	28	1%	0.01	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.2	176.9	-165.2	168.6	0	0	0	113.3	I644 D647 P870 L877 F897 P901	I644-I872 HydrophobicContact CD1-CG1 4.37Å; I644-I872 HydrophobicContact CG1-CB 4.17Å; I644-I872 HydrophobicContact CG1-CG1 4.14Å; D647-I872 HydrophobicContact CB-CG2 4.5Å; P870-I872 VanDerWaalsContact C-N 3.31Å; P870-I872 HydrophobicContact CB-CG2 4Å; P870-I872 PolarHBondContact O-N 2.98Å; I872-L877 HydrophobicContact CG1-CD2 3.8Å; I872-L877 WeakPolarHBondContact O-CD2 3.38Å; I872-F897 HydrophobicContact CD1-CD1 3.6Å; I872-F897 HydrophobicContact CD1-CE1 3.4Å; I872-F897 HydrophobicContact CD1-CZ 4.17Å; I872-P901 HydrophobicContact CG1-CB 4.38Å
873	Q	88.7	Confident	87.9	Confident	50 Å²	50	26.5 Å²	26.5	23%	0.234	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-89.3	-5.1	176.3	-66.3	-174.8	-29	0	0	113.5	V869 P870 E871 P900	V869-Q873 HydrophobicContact CG1-CB 4.17Å; P870-Q873 PolarHBondContact O-N 2.79Å; E871-Q873 PolarHBondContact O-N 3.48Å; Q873-P900 PolarHBondContact NE2-O 3.08Å
874	R	87.4	Confident	88	Confident	30 Å²	30	25.1 Å²	25.1	11%	0.113	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	3.7	-168.4	-63.3	-175.4	-69.2	105.8	-7.8	114.9	V417 V419 Q814 K815 I816 Y817 V869 P870 E871	V417-R874 HydrophobicContact CG1-CG 4.38Å; V419-R874 HydrophobicContact CG2-CG 4.41Å; Q814-R874 VanDerWaalsContact OE1-CZ 3.26Å; Q814-R874 VanDerWaalsContact OE1-NH1 3.15Å; K815-R874 PolarHBondContact O-NH1 3.34Å; I816-R874 WeakPolarHBondContact CA-O 3.31Å; Y817-R874 PolarHBondContact N-O 2.69Å; V869-R874 HydrophobicContact CG1-CG 3.89Å; V869-R874 PolarHBondContact O-NE 2.86Å; V869-R874 PolarHBondContact O-NH2 2.99Å; P870-R874 PolarHBondContact O-NE 3.39Å; E871-R874 PolarHBondContact O-N 3.29Å
875	T	85.9	Confident	88.1	Confident	17 Å²	17	26.1 Å²	26.1	10%	0.104	15%	0.146	C	C	.	.	S	Bend	trans	-129.7	160.1	-174.2	53.7	0	0	0	0	111.7	E871 L877	E871-T875 HydrophobicContact CG-CG2 3.59Å; E871-T875 PolarHBondContact O-N 3.34Å; E871-T875 PolarHBondContact O-OG1 2.71Å; T875-L877 PolarHBondContact O-N 2.84Å
876	N	86.4	Confident	88	Confident	33 Å²	33	25.8 Å²	25.8	18%	0.176	15%	0.149	C	C	.	.			trans	-65.8	126.1	175.9	-171.6	-24	0	0	0	110.4	Y817 A878 Q912	Y817-N876 HydrophobicContact CD1-CB 4.01Å; Y817-N876 HydrophobicContact CD2-CB 3.89Å; Y817-N876 HydrophobicContact CE1-CB 3.98Å; Y817-N876 HydrophobicContact CE2-CB 3.86Å; Y817-N876 HydrophobicContact CG-CB 3.97Å; Y817-N876 PolarHBondContact OH-ND2 3.16Å; N876-A878 WeakPolarHBondContact OD1-CB 3.47Å; N876-A878 PolarHBondContact OD1-N 2.86Å; N876-Q912 PolarHBondContact ND2-OE1 2.81Å
877	L	88.9	Confident	87.9	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.016	13%	0.13	C	C	.	.			trans	-87.2	-11.3	-175.2	-60.3	176	0	0	0	114.2	I644 I872 T875 S879 T880 L881 P901 A905 A909	I644-L877 HydrophobicContact CD1-CD2 3.71Å; I872-L877 HydrophobicContact CG1-CD2 3.8Å; I872-L877 WeakPolarHBondContact O-CD2 3.38Å; T875-L877 PolarHBondContact O-N 2.84Å; L877-S879 PolarHBondContact O-N 3.36Å; L877-T880 CarbonylContact O-C 3.58Å; L877-T880 WeakPolarHBondContact O-CA 3.25Å; L877-T880 WeakPolarHBondContact O-CB 3.37Å; L877-T880 PolarHBondContact O-N 3.37Å; L877-L881 HydrophobicContact CB-CD1 4.27Å; L877-L881 HydrophobicContact CB-CD2 4.42Å; L877-L881 HydrophobicContact CB-CG 3.99Å; L877-L881 WeakPolarHBondContact O-CG 3.41Å; L877-L881 PolarHBondContact O-N 2.93Å; L877-P901 HydrophobicContact CD1-CB 3.53Å; L877-P901 HydrophobicContact CD1-CG 3.94Å; L877-A905 HydrophobicContact CD1-CB 4.28Å; L877-A909 HydrophobicContact CB-CB 3.96Å
878	A	89.5	Confident	87.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.4	-43.5	-167.4	0	0	0	0	0	113.9	N876 T880 L882 A909 L913 P939	N876-A878 WeakPolarHBondContact OD1-CB 3.47Å; N876-A878 PolarHBondContact OD1-N 2.86Å; A878-T880 VanDerWaalsContact C-N 3.32Å; A878-T880 PolarHBondContact O-N 3.36Å; A878-L882 VanDerWaalsContact O-CB 3.3Å; A878-L882 WeakPolarHBondContact O-CB 3.27Å; A878-L882 PolarHBondContact O-N 2.87Å; A878-L882 VanDerWaalsContact O-N 3.15Å; A878-A909 HydrophobicContact CB-CB 4.35Å; A878-L913 HydrophobicContact CB-CG 4.49Å; A878-P939 HydrophobicContact CB-CG 4.43Å
879	S	89	Confident	87.7	Confident	21 Å²	21	22.3 Å²	22.3	15%	0.147	13%	0.13	C	C	.	.	H	α-helix	trans	-67.3	-30.9	175.4	51.8	0	0	0	0	113.3	L877 Q883 E938	L877-S879 PolarHBondContact O-N 3.36Å; S879-Q883 VanDerWaalsContact O-CG 3.31Å; S879-Q883 WeakPolarHBondContact O-CG 3.38Å; S879-Q883 PolarHBondContact O-N 3.05Å; S879-E938 WeakPolarHBondContact CB-OE2 3.38Å
880	T	88.6	Confident	87.3	Confident	4 Å²	4	24.6 Å²	24.6	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-79.6	-43.6	179.4	-63.5	0	0	0	0	112.2	I644 V648 L877 A878 L882 Q883 L884	I644-T880 HydrophobicContact CD1-CG2 4.26Å; I644-T880 WeakPolarHBondContact CD1-OG1 3.2Å; I644-T880 HydrophobicContact CG1-CG2 4.21Å; V648-T880 HydrophobicContact CG2-CG2 3.63Å; L877-T880 CarbonylContact O-C 3.58Å; L877-T880 WeakPolarHBondContact O-CA 3.25Å; L877-T880 WeakPolarHBondContact O-CB 3.37Å; L877-T880 PolarHBondContact O-N 3.37Å; A878-T880 VanDerWaalsContact C-N 3.32Å; A878-T880 PolarHBondContact O-N 3.36Å; T880-L882 VanDerWaalsContact C-N 3.29Å; T880-L882 PolarHBondContact O-N 3.01Å; T880-Q883 PolarHBondContact O-N 3.15Å; T880-Q883 VanDerWaalsContact O-N 3.16Å; T880-L884 HydrophobicContact CG2-CD1 4.33Å; T880-L884 PolarHBondContact O-N 3.5Å
881	L	90.4	Very high	87	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-35.4	175.7	-57.8	-171.3	0	0	0	111.4	L877 Q883 L884 K885 L892 M906 A909 L910 L913	L877-L881 HydrophobicContact CB-CD1 4.27Å; L877-L881 HydrophobicContact CB-CD2 4.42Å; L877-L881 HydrophobicContact CB-CG 3.99Å; L877-L881 WeakPolarHBondContact O-CG 3.41Å; L877-L881 PolarHBondContact O-N 2.93Å; L881-Q883 VanDerWaalsContact C-N 3.32Å; L881-Q883 PolarHBondContact O-N 3.09Å; L881-L884 HydrophobicContact CD2-CD1 4.23Å; L881-L884 PolarHBondContact O-N 2.88Å; L881-K885 WeakPolarHBondContact O-CB 3.23Å; L881-K885 WeakPolarHBondContact O-CG 3.34Å; L881-K885 PolarHBondContact O-N 2.89Å; L881-L892 HydrophobicContact CB-CD1 4.24Å; L881-L892 HydrophobicContact CD1-CD1 4.33Å; L881-L892 HydrophobicContact CD2-CD1 4.17Å; L881-L892 HydrophobicContact CD2-CD2 4.39Å; L881-L892 HydrophobicContact CG-CD1 4.46Å; L881-M906 HydrophobicContact CD1-CG 3.68Å; L881-M906 HydrophobicContact CD2-CG 4.33Å; L881-A909 HydrophobicContact CD1-CB 3.72Å; L881-L910 HydrophobicContact CD1-CD2 4.16Å; L881-L910 HydrophobicContact CD1-CG 3.99Å; L881-L913 HydrophobicContact CB-CD1 4.09Å
882	L	90.9	Very high	86.6	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-41.8	172.8	-178.4	61.5	0	0	0	111.9	A878 T880 A886 L913 A918 L925 M932 A933 P939	A878-L882 VanDerWaalsContact O-CB 3.3Å; A878-L882 WeakPolarHBondContact O-CB 3.27Å; A878-L882 PolarHBondContact O-N 2.87Å; A878-L882 VanDerWaalsContact O-N 3.15Å; T880-L882 VanDerWaalsContact C-N 3.29Å; T880-L882 PolarHBondContact O-N 3.01Å; L882-A886 WeakPolarHBondContact O-CB 3.42Å; L882-A886 PolarHBondContact O-N 2.85Å; L882-L913 HydrophobicContact CB-CD1 4.14Å; L882-L913 HydrophobicContact CB-CD2 4.03Å; L882-L913 HydrophobicContact CD1-CD2 4.29Å; L882-L913 HydrophobicContact CD2-CD2 4.4Å; L882-L913 HydrophobicContact CG-CD2 4.47Å; L882-A918 HydrophobicContact CD1-CB 4.15Å; L882-L925 HydrophobicContact CD1-CD1 3.57Å; L882-M932 HydrophobicContact CD2-CB 4.1Å; L882-M932 HydrophobicContact CD2-CE 4.47Å; L882-A933 HydrophobicContact CD1-CB 4.33Å; L882-A933 HydrophobicContact CD2-CB 4.39Å; L882-A933 HydrophobicContact CG-CB 3.92Å; L882-P939 HydrophobicContact CD2-CB 4.22Å; L882-P939 HydrophobicContact CD2-CG 3.89Å
883	Q	87.6	Confident	86.1	Confident	37 Å²	37	31.5 Å²	31.5	17%	0.173	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-43.2	176.8	-69.3	171.9	22.9	0	0	111.8	L623 S879 T880 L881 K885 A886 M887	L623-Q883 HydrophobicContact CD1-CB 4.37Å; L623-Q883 HydrophobicContact CD1-CG 4.03Å; L623-Q883 HydrophobicContact CD2-CB 4.24Å; L623-Q883 WeakPolarHBondContact CD2-O 3.1Å; S879-Q883 VanDerWaalsContact O-CG 3.31Å; S879-Q883 WeakPolarHBondContact O-CG 3.38Å; S879-Q883 PolarHBondContact O-N 3.05Å; T880-Q883 PolarHBondContact O-N 3.15Å; T880-Q883 VanDerWaalsContact O-N 3.16Å; L881-Q883 VanDerWaalsContact C-N 3.32Å; L881-Q883 PolarHBondContact O-N 3.09Å; Q883-K885 PolarHBondContact O-N 3Å; Q883-A886 WeakPolarHBondContact O-CB 3.29Å; Q883-A886 PolarHBondContact O-N 3.05Å; Q883-A886 VanDerWaalsContact O-N 3.11Å; Q883-M887 WeakPolarHBondContact O-CG 3.49Å; Q883-M887 PolarHBondContact O-N 3.37Å
884	L	88.7	Confident	85.7	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-45.7	175	-72.4	168.8	0	0	0	112.1	V648 T880 L881 A886 M887 G888 I889 L892 F895 F897	V648-L884 HydrophobicContact CG1-CD2 3.91Å; T880-L884 HydrophobicContact CG2-CD1 4.33Å; T880-L884 PolarHBondContact O-N 3.5Å; L881-L884 HydrophobicContact CD2-CD1 4.23Å; L881-L884 PolarHBondContact O-N 2.88Å; L884-A886 VanDerWaalsContact C-N 3.28Å; L884-A886 PolarHBondContact O-N 2.97Å; L884-M887 WeakPolarHBondContact O-CB 3.23Å; L884-M887 PolarHBondContact O-N 2.95Å; L884-M887 VanDerWaalsContact O-N 3.16Å; L884-G888 PolarHBondContact O-N 3.18Å; L884-I889 HydrophobicContact CB-CB 4.48Å; L884-I889 HydrophobicContact CD2-CD1 3.66Å; L884-I889 WeakPolarHBondContact O-CB 3.32Å; L884-I889 PolarHBondContact O-N 2.84Å; L884-I889 VanDerWaalsContact O-N 3.08Å; L884-L892 HydrophobicContact CB-CD2 3.64Å; L884-L892 HydrophobicContact CD1-CD2 3.9Å; L884-L892 HydrophobicContact CG-CD2 4.4Å; L884-F895 HydrophobicContact CD2-CE2 4.32Å; L884-F895 HydrophobicContact CD2-CZ 4.19Å; L884-F897 HydrophobicContact CD1-CZ 4.03Å
885	K	89.2	Confident	85.5	Confident	21 Å²	21	34 Å²	34	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-34.2	173.8	-72.1	-82.3	-177.7	172.1	0	112	L881 Q883 M887 G888 N890 L892 L919 G923 L925	L881-K885 WeakPolarHBondContact O-CB 3.23Å; L881-K885 WeakPolarHBondContact O-CG 3.34Å; L881-K885 PolarHBondContact O-N 2.89Å; Q883-K885 PolarHBondContact O-N 3Å; K885-M887 VanDerWaalsContact C-N 3.35Å; K885-G888 PolarHBondContact O-N 3.39Å; K885-N890 PolarHBondContact NZ-O 3.35Å; K885-L892 HydrophobicContact CD-CD1 4.4Å; K885-L892 VanDerWaalsContact CE-CD1 3.44Å; K885-L892 HydrophobicContact CG-CD1 4.23Å; K885-L919 HydrophobicContact CD-CD2 4.3Å; K885-L919 HydrophobicContact CG-CD2 4.25Å; K885-G923 PolarHBondContact NZ-O 2.78Å; K885-L925 HydrophobicContact CB-CD1 4.32Å
886	A	88.1	Confident	85.4	Confident	36 Å²	36	36 Å²	36	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-69	-28.7	174.7	0	0	0	0	0	113.8	L623 L882 Q883 L884 G888 L925 A933	L623-A886 HydrophobicContact CD2-CB 4.04Å; L882-A886 WeakPolarHBondContact O-CB 3.42Å; L882-A886 PolarHBondContact O-N 2.85Å; Q883-A886 WeakPolarHBondContact O-CB 3.29Å; Q883-A886 PolarHBondContact O-N 3.05Å; Q883-A886 VanDerWaalsContact O-N 3.11Å; L884-A886 VanDerWaalsContact C-N 3.28Å; L884-A886 PolarHBondContact O-N 2.97Å; A886-G888 PolarHBondContact O-N 3.09Å; A886-L925 HydrophobicContact CB-CD2 3.86Å; A886-A933 HydrophobicContact CB-CB 3.57Å
887	M	84.9	Confident	85.4	Confident	35 Å²	35	35.4 Å²	35.4	17%	0.172	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.7	168.6	-61.9	180	-177.1	0	0	113.5	L619 C622 L623 L652 Q883 L884 K885 I889	L619-M887 HydrophobicContact CD1-CE 3.79Å; L619-M887 HydrophobicContact CG-CE 4.44Å; C622-M887 HydrophobicContact CB-CE 3.75Å; L623-M887 HydrophobicContact CB-CE 4.43Å; L623-M887 HydrophobicContact CD2-CE 3.62Å; L623-M887 HydrophobicContact CD2-CG 3.64Å; L623-M887 HydrophobicContact CG-CE 3.61Å; L652-M887 HydrophobicContact CD1-CE 3.66Å; L652-M887 HydrophobicContact CD1-SD 3.5Å; L652-M887 VanDerWaalsContact CD1-SD 3.5Å; L652-M887 HydrophobicContact CD2-SD 3.49Å; L652-M887 WeakPolarHBondContact CD2-SD 3.4Å; L652-M887 HydrophobicContact CG-SD 4.15Å; Q883-M887 WeakPolarHBondContact O-CG 3.49Å; Q883-M887 PolarHBondContact O-N 3.37Å; L884-M887 WeakPolarHBondContact O-CB 3.23Å; L884-M887 PolarHBondContact O-N 2.95Å; L884-M887 VanDerWaalsContact O-N 3.16Å; K885-M887 VanDerWaalsContact C-N 3.35Å; M887-I889 HydrophobicContact CB-CD1 4.2Å; M887-I889 HydrophobicContact CB-CG1 4.41Å
888	G	83	Confident	85.2	Confident	47 Å²	47	36.1 Å²	36.1	49%	0.485	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	11.5	-175.7	0	0	0	0	0	114.6	L884 K885 A886 N890	L884-G888 PolarHBondContact O-N 3.18Å; K885-G888 PolarHBondContact O-N 3.39Å; A886-G888 PolarHBondContact O-N 3.09Å; G888-N890 PolarHBondContact O-N 2.96Å
889	I	84.1	Confident	85	Confident	25 Å²	25	37.5 Å²	37.5	13%	0.128	21%	0.212	C	C	.	.			trans	-79.5	88.6	176.1	-60	161.6	0	0	0	108	L652 L884 M887 L892 F895	L652-I889 HydrophobicContact CD2-CD1 3.67Å; L884-I889 HydrophobicContact CB-CB 4.48Å; L884-I889 HydrophobicContact CD2-CD1 3.66Å; L884-I889 WeakPolarHBondContact O-CB 3.32Å; L884-I889 PolarHBondContact O-N 2.84Å; L884-I889 VanDerWaalsContact O-N 3.08Å; M887-I889 HydrophobicContact CB-CD1 4.2Å; M887-I889 HydrophobicContact CB-CG1 4.41Å; I889-L892 HydrophobicContact CG2-CD2 4.28Å; I889-F895 HydrophobicContact CD1-CD2 4.09Å; I889-F895 HydrophobicContact CD1-CE2 3.67Å; I889-F895 HydrophobicContact CG2-CB 4.5Å; I889-F895 HydrophobicContact CG2-CD2 3.74Å; I889-F895 HydrophobicContact CG2-CE2 4.45Å; I889-F895 HydrophobicContact CG2-CG 4.44Å
890	N	79.1	Confident	84.9	Confident	71 Å²	71	40.4 Å²	40.4	38%	0.38	23%	0.23	S	C	.	.			trans	-75.9	-40.8	-177.4	-69.8	-22.8	0	0	0	112.3	K885 G888 L892 L924	K885-N890 PolarHBondContact NZ-O 3.35Å; G888-N890 PolarHBondContact O-N 2.96Å; N890-L892 PolarHBondContact O-N 3.47Å; N890-L924 HydrophobicContact CB-CD2 4.49Å
891	N	80.5	Confident	84.8	Confident	104 Å²	104	40.6 Å²	40.6	56%	0.556	23%	0.232	S	C	*	.			trans	-86	94	177.2	-68.4	36.5	0	0	0	109.7	D894	N891-D894 HydrophobicContact CB-CB 4.18Å; N891-D894 WeakPolarHBondContact CB-OD2 3.34Å; N891-D894 PolarHBondContact ND2-OD2 3.03Å
892	L	80.1	Confident	84.6	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	-81.7	-24	179.1	-63.8	168.1	0	0	0	112.9	L881 L884 K885 I889 N890 M906 L910	L881-L892 HydrophobicContact CB-CD1 4.24Å; L881-L892 HydrophobicContact CD1-CD1 4.33Å; L881-L892 HydrophobicContact CD2-CD1 4.17Å; L881-L892 HydrophobicContact CD2-CD2 4.39Å; L881-L892 HydrophobicContact CG-CD1 4.46Å; L884-L892 HydrophobicContact CB-CD2 3.64Å; L884-L892 HydrophobicContact CD1-CD2 3.9Å; L884-L892 HydrophobicContact CG-CD2 4.4Å; K885-L892 HydrophobicContact CD-CD1 4.4Å; K885-L892 VanDerWaalsContact CE-CD1 3.44Å; K885-L892 HydrophobicContact CG-CD1 4.23Å; I889-L892 HydrophobicContact CG2-CD2 4.28Å; N890-L892 PolarHBondContact O-N 3.47Å; L892-M906 HydrophobicContact CB-CE 4.48Å; L892-M906 HydrophobicContact CB-SD 3.7Å; L892-L910 HydrophobicContact CD1-CD1 4.4Å; L892-L910 HydrophobicContact CD1-CD2 3.77Å; L892-L910 HydrophobicContact CD1-CG 4.5Å
893	I	77.8	Confident	84.2	Confident	114 Å²	114	47.4 Å²	47.4	59%	0.585	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-41.6	177.2	-60.5	170.6	0	0	0	110.2	F895 M906	I893-F895 PolarHBondContact O-N 3.34Å; I893-M906 HydrophobicContact CG1-SD 4.25Å
894	D	79.4	Confident	83.9	Confident	118 Å²	118	48.4 Å²	48.4	63%	0.631	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	5.3	178.2	-49	-47.8	0	0	0	113.2	N891	N891-D894 HydrophobicContact CB-CB 4.18Å; N891-D894 WeakPolarHBondContact CB-OD2 3.34Å; N891-D894 PolarHBondContact ND2-OD2 3.03Å
895	F	83.3	Confident	83.7	Confident	13 Å²	13	48.9 Å²	48.9	6%	0.057	28%	0.277	C	S	.	.	S	Bend	trans	-74.4	132.6	179.7	-173.6	-95.3	0	0	0	110.8	L652 L884 I889 I893 F897	L652-F895 HydrophobicContact CD2-CE2 4.39Å; L652-F895 HydrophobicContact CD2-CZ 4.39Å; L652-F895 HydrophobicContact CG-CZ 4.46Å; L884-F895 HydrophobicContact CD2-CE2 4.32Å; L884-F895 HydrophobicContact CD2-CZ 4.19Å; I889-F895 HydrophobicContact CD1-CD2 4.09Å; I889-F895 HydrophobicContact CD1-CE2 3.67Å; I889-F895 HydrophobicContact CG2-CB 4.5Å; I889-F895 HydrophobicContact CG2-CD2 3.74Å; I889-F895 HydrophobicContact CG2-CE2 4.45Å; I889-F895 HydrophobicContact CG2-CG 4.44Å; I893-F895 PolarHBondContact O-N 3.34Å; F895-F897 HydrophobicContact CB-CD2 4.28Å; F895-F897 HydrophobicContact CB-CE2 3.93Å; F895-F897 HydrophobicContact CB-CZ 4.41Å; F895-F897 AromaticContact CD1-CD1 3.69Å; F895-F897 HydrophobicContact CD1-CD1 3.69Å; F895-F897 AromaticContact CD1-CD2 3.8Å; F895-F897 HydrophobicContact CD1-CD2 3.8Å; F895-F897 AromaticContact CD1-CE1 3.51Å; F895-F897 HydrophobicContact CD1-CE1 3.51Å; F895-F897 AromaticContact CD1-CE2 3.64Å; F895-F897 HydrophobicContact CD1-CE2 3.64Å; F895-F897 AromaticContact CD1-CG 3.84Å; F895-F897 HydrophobicContact CD1-CG 3.84Å; F895-F897 AromaticContact CD1-CZ 3.49Å; F895-F897 HydrophobicContact CD1-CZ 3.49Å; F895-F897 VanDerWaalsContact CD1-CZ 3.49Å; F895-F897 AromaticContact CE1-CD1 3.9Å; F895-F897 HydrophobicContact CE1-CD1 3.9Å; F895-F897 AromaticContact CE1-CE1 3.74Å; F895-F897 HydrophobicContact CE1-CE1 3.74Å; F895-F897 HydrophobicContact CE1-CG 4.42Å; F895-F897 HydrophobicContact CE1-CZ 4.15Å; F895-F897 HydrophobicContact CG-CE2 4.23Å; F895-F897 HydrophobicContact CG-CZ 4.29Å; F895-F897 WeakPolarHBondContact O-CD2 3.41Å; F895-F897 PolarHBondContact O-N 2.77Å
896	D	84.5	Confident	83.5	Confident	61 Å²	61	48.5 Å²	48.5	33%	0.326	28%	0.275	S	S	.	.			trans	-72.8	66.8	-172.5	-171.5	1.3	0	0	0	112.2	K654 Y680	K654-D896 VanDerWaalsContact CD-OD2 3.26Å; K654-D896 WeakPolarHBondContact CD-OD2 3.47Å; K654-D896 WeakPolarHBondContact CE-OD2 3.28Å; K654-D896 VanDerWaalsContact NZ-CG 3.25Å; K654-D896 IonicContact NZ-OD1 2.98Å; K654-D896 PolarHBondContact NZ-OD1 2.79Å; K654-D896 IonicContact NZ-OD2 2.65Å; K654-D896 PolarHBondContact NZ-OD2 3.22Å; Y680-D896 WeakPolarHBondContact CE2-O 3.49Å; Y680-D896 WeakPolarHBondContact CE2-OD1 3.44Å; Y680-D896 PolarHBondContact OH-O 3.07Å
897	F	85.5	Confident	83.5	Confident	19 Å²	19	47.7 Å²	47.7	8%	0.083	27%	0.266	C	S	.	.			trans	-76.2	136	171.1	-65.5	-70	0	0	0	110.8	V648 I872 L884 F895 D899 P900 P901 M906	V648-F897 HydrophobicContact CG2-CE1 4.31Å; I872-F897 HydrophobicContact CD1-CD1 3.6Å; I872-F897 HydrophobicContact CD1-CE1 3.4Å; I872-F897 HydrophobicContact CD1-CZ 4.17Å; L884-F897 HydrophobicContact CD1-CZ 4.03Å; F895-F897 HydrophobicContact CB-CD2 4.28Å; F895-F897 HydrophobicContact CB-CE2 3.93Å; F895-F897 HydrophobicContact CB-CZ 4.41Å; F895-F897 AromaticContact CD1-CD1 3.69Å; F895-F897 HydrophobicContact CD1-CD1 3.69Å; F895-F897 AromaticContact CD1-CD2 3.8Å; F895-F897 HydrophobicContact CD1-CD2 3.8Å; F895-F897 AromaticContact CD1-CE1 3.51Å; F895-F897 HydrophobicContact CD1-CE1 3.51Å; F895-F897 AromaticContact CD1-CE2 3.64Å; F895-F897 HydrophobicContact CD1-CE2 3.64Å; F895-F897 AromaticContact CD1-CG 3.84Å; F895-F897 HydrophobicContact CD1-CG 3.84Å; F895-F897 AromaticContact CD1-CZ 3.49Å; F895-F897 HydrophobicContact CD1-CZ 3.49Å; F895-F897 VanDerWaalsContact CD1-CZ 3.49Å; F895-F897 AromaticContact CE1-CD1 3.9Å; F895-F897 HydrophobicContact CE1-CD1 3.9Å; F895-F897 AromaticContact CE1-CE1 3.74Å; F895-F897 HydrophobicContact CE1-CE1 3.74Å; F895-F897 HydrophobicContact CE1-CG 4.42Å; F895-F897 HydrophobicContact CE1-CZ 4.15Å; F895-F897 HydrophobicContact CG-CE2 4.23Å; F895-F897 HydrophobicContact CG-CZ 4.29Å; F895-F897 WeakPolarHBondContact O-CD2 3.41Å; F895-F897 PolarHBondContact O-N 2.77Å; F897-D899 VanDerWaalsContact C-N 3.28Å; F897-D899 PolarHBondContact O-N 3.1Å; F897-P900 HydrophobicContact CB-CB 4.31Å; F897-P901 HydrophobicContact CE2-CG 4.45Å; F897-M906 HydrophobicContact CE2-CE 4.39Å
898	M	84.5	Confident	83.4	Confident	18 Å²	18	47 Å²	47	9%	0.089	26%	0.263	C	S	.	.	S	Bend	trans	-63.9	-34.5	174.2	-177.2	-176.5	-60.2	0	0	112.7	F650 K676 F677 Y680 F681	F650-M898 HydrophobicContact CD2-CE 3.81Å; F650-M898 HydrophobicContact CE2-CE 4.06Å; F650-M898 HydrophobicContact CG-CE 4.44Å; K676-M898 HydrophobicContact CD-CG 4.5Å; K676-M898 HydrophobicContact CD-SD 4.34Å; K676-M898 HydrophobicContact CG-CG 4.4Å; K676-M898 HydrophobicContact CG-SD 4.2Å; F677-M898 HydrophobicContact CD1-CE 3.63Å; F677-M898 HydrophobicContact CD1-SD 4.31Å; F677-M898 HydrophobicContact CE1-CE 3.91Å; F677-M898 HydrophobicContact CE1-SD 4.24Å; F677-M898 HydrophobicContact CG-CE 4.44Å; Y680-M898 HydrophobicContact CD1-CE 3.66Å; Y680-M898 HydrophobicContact CD2-CB 3.75Å; Y680-M898 HydrophobicContact CD2-CE 4.44Å; Y680-M898 HydrophobicContact CD2-CG 4.06Å; Y680-M898 HydrophobicContact CE1-CE 4.32Å; Y680-M898 HydrophobicContact CE2-CB 3.89Å; Y680-M898 HydrophobicContact CG-CB 4.15Å; Y680-M898 HydrophobicContact CG-CE 3.72Å; Y680-M898 HydrophobicContact CG-CG 4.14Å; F681-M898 HydrophobicContact CE2-CE 4.4Å
899	D	86.4	Confident	83.7	Confident	30 Å²	30	44.8 Å²	44.8	16%	0.16	24%	0.24	C	C	.	.	S	Bend	trans	-136.4	108.7	166.7	-72.3	-70.5	0	0	0	106.4	R642 K676 P870 F897	R642-D899 IonicContact CZ-OD2 3.77Å; R642-D899 VanDerWaalsContact CZ-OD2 3.25Å; R642-D899 IonicContact NH1-OD2 2.67Å; R642-D899 PolarHBondContact NH1-OD2 3.41Å; R642-D899 IonicContact NH2-OD2 2.8Å; R642-D899 PolarHBondContact NH2-OD2 2.85Å; K676-D899 IonicContact NZ-OD1 2.7Å; K676-D899 PolarHBondContact NZ-OD1 3.24Å; K676-D899 IonicContact NZ-OD2 2.61Å; K676-D899 PolarHBondContact NZ-OD2 3.23Å; P870-D899 HydrophobicContact CG-CB 3.99Å; F897-D899 VanDerWaalsContact C-N 3.28Å; F897-D899 PolarHBondContact O-N 3.1Å
900	P	86.6	Confident	83.9	Confident	81 Å²	81	44.6 Å²	44.6	53%	0.526	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-66.5	149.7	-178.4	26.2	-33.7	0	0	0	111.4	Q873 F897	Q873-P900 PolarHBondContact NE2-O 3.08Å; F897-P900 HydrophobicContact CB-CB 4.31Å
901	P	86.8	Confident	84.2	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.058	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-65.5	158.8	168.1	28.3	-33.8	0	0	0	111.3	I872 L877 F897 M903 M906	I872-P901 HydrophobicContact CG1-CB 4.38Å; L877-P901 HydrophobicContact CD1-CB 3.53Å; L877-P901 HydrophobicContact CD1-CG 3.94Å; F897-P901 HydrophobicContact CE2-CG 4.45Å; P901-M903 PolarHBondContact O-N 2.96Å; P901-M906 HydrophobicContact CG-CE 3.81Å
902	P	85.6	Confident	84.5	Confident	36 Å²	36	41.5 Å²	41.5	23%	0.234	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-53.6	134.1	166	-21.8	32.6	0	0	0	110.6	V417 E904 A905 M906	V417-P902 HydrophobicContact CG2-CG 3.96Å; P902-E904 WeakPolarHBondContact CB-OE2 3.36Å; P902-E904 PolarHBondContact O-N 2.76Å; P902-A905 HydrophobicContact CB-CB 4.18Å; P902-A905 PolarHBondContact O-N 2.87Å; P902-M906 PolarHBondContact O-N 2.95Å; P902-M906 VanDerWaalsContact O-N 3.14Å
903	M	83.4	Confident	84.9	Confident	112 Å²	112	41.2 Å²	41.2	55%	0.552	22%	0.217	S	C	*	.	H	α-helix	trans	-59.1	-33.1	-176.2	-65.1	-172.8	-64.3	0	0	111.5	P901 M906 I907	P901-M903 PolarHBondContact O-N 2.96Å; M903-M906 CarbonylContact O-C 3.57Å; M903-M906 WeakPolarHBondContact O-CB 3.48Å; M903-M906 PolarHBondContact O-N 2.77Å; M903-I907 WeakPolarHBondContact O-CD1 3.47Å; M903-I907 VanDerWaalsContact O-CG1 3.25Å; M903-I907 WeakPolarHBondContact O-CG1 3.2Å; M903-I907 PolarHBondContact O-N 3.28Å
904	E	79.8	Confident	85.4	Confident	58 Å²	58	37.9 Å²	37.9	27%	0.271	20%	0.199	S	C	.	.	H	α-helix	trans	-76.8	-36	-174.2	-40.5	91.7	153.7	0	0	110.6	L414 P902 M906 I907 M908	L414-E904 HydrophobicContact CD1-CB 4.29Å; L414-E904 HydrophobicContact CD2-CB 3.39Å; L414-E904 HydrophobicContact CD2-CG 3.42Å; L414-E904 VanDerWaalsContact CD2-CG 3.42Å; L414-E904 HydrophobicContact CG-CB 4.49Å; P902-E904 WeakPolarHBondContact CB-OE2 3.36Å; P902-E904 PolarHBondContact O-N 2.76Å; E904-M906 VanDerWaalsContact C-N 3.29Å; E904-M906 PolarHBondContact O-N 3.47Å; E904-I907 PolarHBondContact O-N 2.95Å; E904-M908 WeakPolarHBondContact O-CG 3.38Å; E904-M908 PolarHBondContact O-N 2.88Å
905	A	84.6	Confident	85.8	Confident	12 Å²	12	33.4 Å²	33.4	10%	0.099	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-33.3	167.8	0	0	0	0	0	111.9	L877 P902 A909	L877-A905 HydrophobicContact CD1-CB 4.28Å; P902-A905 HydrophobicContact CB-CB 4.18Å; P902-A905 PolarHBondContact O-N 2.87Å; A905-A909 VanDerWaalsContact O-CB 3.27Å; A905-A909 WeakPolarHBondContact O-CB 3.47Å; A905-A909 PolarHBondContact O-N 2.98Å
906	M	86.6	Confident	86	Confident	13 Å²	13	33 Å²	33	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-44.6	172.7	-165.6	-168.8	-62.9	0	0	111.7	L881 L892 I893 F897 P901 P902 M903 E904 A909 L910	L881-M906 HydrophobicContact CD1-CG 3.68Å; L881-M906 HydrophobicContact CD2-CG 4.33Å; L892-M906 HydrophobicContact CB-CE 4.48Å; L892-M906 HydrophobicContact CB-SD 3.7Å; I893-M906 HydrophobicContact CG1-SD 4.25Å; F897-M906 HydrophobicContact CE2-CE 4.39Å; P901-M906 HydrophobicContact CG-CE 3.81Å; P902-M906 PolarHBondContact O-N 2.95Å; P902-M906 VanDerWaalsContact O-N 3.14Å; M903-M906 CarbonylContact O-C 3.57Å; M903-M906 WeakPolarHBondContact O-CB 3.48Å; M903-M906 PolarHBondContact O-N 2.77Å; E904-M906 VanDerWaalsContact C-N 3.29Å; E904-M906 PolarHBondContact O-N 3.47Å; M906-A909 PolarHBondContact O-N 2.64Å; M906-L910 HydrophobicContact CG-CD1 4.37Å; M906-L910 WeakPolarHBondContact O-CG 3.42Å; M906-L910 PolarHBondContact O-N 2.84Å
907	I	86.1	Confident	86.1	Confident	19 Å²	19	32.9 Å²	32.9	10%	0.097	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-52.2	178	-70.9	155.6	0	0	0	110.9	L404 Y407 M903 E904 A909 L910 E911	L404-I907 HydrophobicContact CD1-CG2 4.49Å; L404-I907 HydrophobicContact CD2-CG2 4.39Å; Y407-I907 HydrophobicContact CD1-CD1 4.19Å; Y407-I907 HydrophobicContact CG-CD1 4.37Å; M903-I907 WeakPolarHBondContact O-CD1 3.47Å; M903-I907 VanDerWaalsContact O-CG1 3.25Å; M903-I907 WeakPolarHBondContact O-CG1 3.2Å; M903-I907 PolarHBondContact O-N 3.28Å; E904-I907 PolarHBondContact O-N 2.95Å; I907-A909 VanDerWaalsContact C-N 3.26Å; I907-A909 PolarHBondContact O-N 3.49Å; I907-L910 WeakPolarHBondContact O-CB 3.32Å; I907-L910 PolarHBondContact O-N 3.02Å; I907-E911 PolarHBondContact O-N 2.99Å
908	M	84.2	Confident	86.3	Confident	21 Å²	21	32 Å²	32	10%	0.103	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-27.3	-179.1	-65.5	-170.6	82	0	0	112.7	L414 P819 E904 Q912	L414-M908 HydrophobicContact CD1-SD 4.08Å; P819-M908 VanDerWaalsContact C-SD 3.59Å; P819-M908 HydrophobicContact CB-SD 3.84Å; P819-M908 WeakPolarHBondContact O-CE 3.22Å; P819-M908 VanDerWaalsContact O-SD 3.41Å; E904-M908 WeakPolarHBondContact O-CG 3.38Å; E904-M908 PolarHBondContact O-N 2.88Å; M908-Q912 WeakPolarHBondContact O-CB 3.48Å; M908-Q912 PolarHBondContact O-N 3.46Å
909	A	88.1	Confident	86.5	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-72.5	-35.3	170.8	0	0	0	0	0	112.5	L877 A878 L881 A905 M906 I907 Q912 L913	L877-A909 HydrophobicContact CB-CB 3.96Å; A878-A909 HydrophobicContact CB-CB 4.35Å; L881-A909 HydrophobicContact CD1-CB 3.72Å; A905-A909 VanDerWaalsContact O-CB 3.27Å; A905-A909 WeakPolarHBondContact O-CB 3.47Å; A905-A909 PolarHBondContact O-N 2.98Å; M906-A909 PolarHBondContact O-N 2.64Å; I907-A909 VanDerWaalsContact C-N 3.26Å; I907-A909 PolarHBondContact O-N 3.49Å; A909-Q912 PolarHBondContact O-N 3.41Å; A909-L913 WeakPolarHBondContact O-CG 3.32Å; A909-L913 PolarHBondContact O-N 2.8Å; A909-L913 VanDerWaalsContact O-N 3.08Å
910	L	88.6	Confident	86.6	Confident	20 Å²	20	32.5 Å²	32.5	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-69.5	-40.7	173.4	-71.6	170.4	0	0	0	112.1	F403 L881 L892 M906 I907 Q912 L913 H914 L919	F403-L910 HydrophobicContact CE2-CB 4.29Å; L881-L910 HydrophobicContact CD1-CD2 4.16Å; L881-L910 HydrophobicContact CD1-CG 3.99Å; L892-L910 HydrophobicContact CD1-CD1 4.4Å; L892-L910 HydrophobicContact CD1-CD2 3.77Å; L892-L910 HydrophobicContact CD1-CG 4.5Å; M906-L910 HydrophobicContact CG-CD1 4.37Å; M906-L910 WeakPolarHBondContact O-CG 3.42Å; M906-L910 PolarHBondContact O-N 2.84Å; I907-L910 WeakPolarHBondContact O-CB 3.32Å; I907-L910 PolarHBondContact O-N 3.02Å; L910-Q912 VanDerWaalsContact C-N 3.34Å; L910-L913 PolarHBondContact O-N 3.28Å; L910-L913 VanDerWaalsContact O-N 3.14Å; L910-H914 PolarHBondContact O-N 3.12Å; L910-L919 HydrophobicContact CD2-CD1 3.6Å
911	E	85.8	Confident	86.5	Confident	82 Å²	82	33.1 Å²	33.1	38%	0.383	18%	0.178	S	C	.	.	H	α-helix	trans	-60	-42.3	171.5	-173.2	-169.5	-176.5	0	0	111.5	L404 I907 L913 H914 S915	L404-E911 HydrophobicContact CD1-CB 4.12Å; I907-E911 PolarHBondContact O-N 2.99Å; E911-L913 VanDerWaalsContact C-N 3.31Å; E911-L913 PolarHBondContact O-N 3.22Å; E911-H914 PolarHBondContact O-N 2.95Å; E911-S915 WeakPolarHBondContact O-CB 3.44Å; E911-S915 PolarHBondContact O-N 3.44Å; E911-S915 PolarHBondContact O-OG 2.64Å
912	Q	86.5	Confident	86.3	Confident	28 Å²	28	40 Å²	40	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-37.1	173	-172.2	176.9	3	0	0	112.1	N876 M908 A909 L910 S915 L916	N876-Q912 PolarHBondContact ND2-OE1 2.81Å; M908-Q912 WeakPolarHBondContact O-CB 3.48Å; M908-Q912 PolarHBondContact O-N 3.46Å; A909-Q912 PolarHBondContact O-N 3.41Å; L910-Q912 VanDerWaalsContact C-N 3.34Å; Q912-S915 WeakPolarHBondContact CA-OG 3.41Å; Q912-S915 PolarHBondContact O-OG 3.01Å; Q912-L916 HydrophobicContact CG-CD1 4.3Å; Q912-L916 WeakPolarHBondContact O-CB 3.24Å; Q912-L916 WeakPolarHBondContact O-CD1 3.44Å; Q912-L916 WeakPolarHBondContact O-CG 3.48Å; Q912-L916 PolarHBondContact O-N 2.98Å; Q912-L916 VanDerWaalsContact O-N 3.12Å
913	L	89.4	Confident	86.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-76.3	-33.1	177.4	-69.1	173.7	0	0	0	113.5	A878 L881 L882 A909 L910 E911 S917 A918 L919 P939	A878-L913 HydrophobicContact CB-CG 4.49Å; L881-L913 HydrophobicContact CB-CD1 4.09Å; L882-L913 HydrophobicContact CB-CD1 4.14Å; L882-L913 HydrophobicContact CB-CD2 4.03Å; L882-L913 HydrophobicContact CD1-CD2 4.29Å; L882-L913 HydrophobicContact CD2-CD2 4.4Å; L882-L913 HydrophobicContact CG-CD2 4.47Å; A909-L913 WeakPolarHBondContact O-CG 3.32Å; A909-L913 PolarHBondContact O-N 2.8Å; A909-L913 VanDerWaalsContact O-N 3.08Å; L910-L913 PolarHBondContact O-N 3.28Å; L910-L913 VanDerWaalsContact O-N 3.14Å; E911-L913 VanDerWaalsContact C-N 3.31Å; E911-L913 PolarHBondContact O-N 3.22Å; L913-S917 PolarHBondContact O-N 2.83Å; L913-A918 HydrophobicContact CB-CB 4.42Å; L913-A918 HydrophobicContact CD2-CB 4.26Å; L913-A918 WeakPolarHBondContact O-CB 3.08Å; L913-A918 PolarHBondContact O-N 3.43Å; L913-L919 HydrophobicContact CB-CD1 3.77Å; L913-L919 HydrophobicContact CB-CG 3.9Å; L913-L919 HydrophobicContact CD1-CD1 4.39Å; L913-L919 PolarHBondContact O-N 3.1Å; L913-P939 HydrophobicContact CD2-CB 3.98Å; L913-P939 HydrophobicContact CD2-CG 3.92Å
914	H	88.9	Confident	86.4	Confident	44 Å²	44	36.1 Å²	36.1	20%	0.204	19%	0.189	C	C	.	.	H	α-helix	trans	-70.5	-46.5	174.2	176.5	-98.4	0	0	0	111.9	F403 L910 E911 L916 S917 L919 D921	F403-H914 HydrophobicContact CE1-CB 4.04Å; F403-H914 AromaticContact CE1-CD2 3.69Å; F403-H914 AromaticContact CE1-CG 3.92Å; F403-H914 HydrophobicContact CZ-CB 4.1Å; L910-H914 PolarHBondContact O-N 3.12Å; E911-H914 PolarHBondContact O-N 2.95Å; H914-L916 VanDerWaalsContact C-N 3.26Å; H914-L916 PolarHBondContact O-N 2.93Å; H914-S917 VanDerWaalsContact O-CA 3.31Å; H914-S917 WeakPolarHBondContact O-CA 3.4Å; H914-S917 PolarHBondContact O-N 3.16Å; H914-L919 HydrophobicContact CB-CB 4.42Å; H914-D921 IonicContact CD2-OD1 3.57Å; H914-D921 IonicContact CE1-OD1 3.57Å; H914-D921 IonicContact NE2-OD1 2.75Å; H914-D921 PolarHBondContact NE2-OD1 2.89Å
915	S	86.1	Confident	86.8	Confident	25 Å²	25	34.5 Å²	34.5	18%	0.175	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-30.8	173.3	54.1	0	0	0	0	112.9	E911 Q912 S917 F1064	E911-S915 WeakPolarHBondContact O-CB 3.44Å; E911-S915 PolarHBondContact O-N 3.44Å; E911-S915 PolarHBondContact O-OG 2.64Å; Q912-S915 WeakPolarHBondContact CA-OG 3.41Å; Q912-S915 PolarHBondContact O-OG 3.01Å; S915-S917 PolarHBondContact O-N 2.98Å; S915-F1064 WeakPolarHBondContact O-CZ 3.48Å
916	L	87.2	Confident	87.2	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.7	168	-77.2	169.6	0	0	0	114	Q912 H914 A918 M932 P939 T940 K943 F1064	Q912-L916 HydrophobicContact CG-CD1 4.3Å; Q912-L916 WeakPolarHBondContact O-CB 3.24Å; Q912-L916 WeakPolarHBondContact O-CD1 3.44Å; Q912-L916 WeakPolarHBondContact O-CG 3.48Å; Q912-L916 PolarHBondContact O-N 2.98Å; Q912-L916 VanDerWaalsContact O-N 3.12Å; H914-L916 VanDerWaalsContact C-N 3.26Å; H914-L916 PolarHBondContact O-N 2.93Å; L916-A918 PolarHBondContact O-N 2.83Å; L916-M932 HydrophobicContact CB-CE 4.48Å; L916-P939 HydrophobicContact CD1-CB 3.54Å; L916-T940 HydrophobicContact CD1-CG2 4.3Å; L916-T940 HydrophobicContact CD2-CG2 4.17Å; L916-K943 HydrophobicContact CB-CD 4.42Å; L916-K943 HydrophobicContact CD2-CB 4.37Å; L916-K943 HydrophobicContact CD2-CD 3.58Å; L916-K943 WeakPolarHBondContact O-CD 3.35Å; L916-K943 WeakPolarHBondContact O-CE 3.39Å; L916-K943 PolarHBondContact O-NZ 3.49Å; L916-F1064 HydrophobicContact CD2-CE1 4.02Å; L916-F1064 HydrophobicContact CD2-CZ 4.43Å
917	S	86.6	Confident	87.2	Confident	59 Å²	59	42.7 Å²	42.7	41%	0.413	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	22.1	-173.1	-37.2	0	0	0	0	114	L913 H914 S915 T926	L913-S917 PolarHBondContact O-N 2.83Å; H914-S917 VanDerWaalsContact O-CA 3.31Å; H914-S917 WeakPolarHBondContact O-CA 3.4Å; H914-S917 PolarHBondContact O-N 3.16Å; S915-S917 PolarHBondContact O-N 2.98Å; S917-T926 WeakPolarHBondContact O-CG2 3.45Å; S917-T926 PolarHBondContact O-OG1 3.4Å
918	A	90	Very high	87.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-79.5	-30.4	171.6	0	0	0	0	0	111.7	L882 L913 L916 T926 M932	L882-A918 HydrophobicContact CD1-CB 4.15Å; L913-A918 HydrophobicContact CB-CB 4.42Å; L913-A918 HydrophobicContact CD2-CB 4.26Å; L913-A918 WeakPolarHBondContact O-CB 3.08Å; L913-A918 PolarHBondContact O-N 3.43Å; L916-A918 PolarHBondContact O-N 2.83Å; A918-T926 PolarHBondContact O-N 3.17Å; A918-T926 PolarHBondContact O-OG1 3.26Å; A918-M932 HydrophobicContact CB-CE 3.75Å; A918-M932 HydrophobicContact CB-SD 3.98Å
919	L	90.1	Very high	87.7	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-106.8	152.3	168.9	-59.8	175.2	0	0	0	110.9	K885 L910 L913 H914 L924 L925 T926	K885-L919 HydrophobicContact CD-CD2 4.3Å; K885-L919 HydrophobicContact CG-CD2 4.25Å; L910-L919 HydrophobicContact CD2-CD1 3.6Å; L913-L919 HydrophobicContact CB-CD1 3.77Å; L913-L919 HydrophobicContact CB-CG 3.9Å; L913-L919 HydrophobicContact CD1-CD1 4.39Å; L913-L919 PolarHBondContact O-N 3.1Å; H914-L919 HydrophobicContact CB-CB 4.42Å; L919-L924 CarbonylContact C-O 3.23Å; L919-L924 VanDerWaalsContact CA-O 3.24Å; L919-L924 WeakPolarHBondContact CA-O 3.41Å; L919-L924 WeakPolarHBondContact CD2-O 3.48Å; L919-L925 HydrophobicContact CD2-CD1 4.29Å; L919-T926 VanDerWaalsContact C-CG2 3.46Å
920	D	86.8	Confident	87.7	Confident	54 Å²	54	50.2 Å²	50.2	29%	0.289	24%	0.242	S	C	.	.			trans	-93.6	180	168.9	54.7	41.1	0	0	0	112.1	E922 G923 L924 T926	D920-E922 PolarHBondContact O-N 3.18Å; D920-E922 PolarHBondContact OD1-N 2.96Å; D920-E922 VanDerWaalsContact OD1-N 3.13Å; D920-G923 PolarHBondContact O-N 2.93Å; D920-G923 PolarHBondContact OD1-N 3.21Å; D920-L924 PolarHBondContact N-O 2.66Å; D920-L924 WeakPolarHBondContact OD1-CB 3.43Å; D920-L924 PolarHBondContact OD1-N 2.98Å; D920-T926 HydrophobicContact CB-CG2 4.02Å
921	D	85	Confident	87.6	Confident	94 Å²	94	51.9 Å²	51.9	50%	0.503	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.9	-178.3	-58.6	-41.6	0	0	0	113.8	P402 H914	P402-D921 HydrophobicContact CG-CB 4.14Å; H914-D921 IonicContact CD2-OD1 3.57Å; H914-D921 IonicContact CE1-OD1 3.57Å; H914-D921 IonicContact NE2-OD1 2.75Å; H914-D921 PolarHBondContact NE2-OD1 2.89Å
922	E	83.1	Confident	87.9	Confident	155 Å²	155	48 Å²	48	72%	0.724	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.6	170.5	-60.8	-173.7	176.4	0	0	111.9	D920 L924	D920-E922 PolarHBondContact O-N 3.18Å; D920-E922 PolarHBondContact OD1-N 2.96Å; D920-E922 VanDerWaalsContact OD1-N 3.13Å; E922-L924 VanDerWaalsContact C-N 3.29Å; E922-L924 HydrophobicContact CB-CD1 4.4Å; E922-L924 HydrophobicContact CB-CG 4.3Å; E922-L924 PolarHBondContact O-N 3.38Å
923	G	82.8	Confident	88	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	73.6	17.9	-176.6	0	0	0	0	0	113.8	K885 D920	K885-G923 PolarHBondContact NZ-O 2.78Å; D920-G923 PolarHBondContact O-N 2.93Å; D920-G923 PolarHBondContact OD1-N 3.21Å
924	L	88.1	Confident	87.8	Confident	63 Å²	63	50.5 Å²	50.5	33%	0.33	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-92.3	163.5	174.9	-60.7	177.2	0	0	0	110.9	N890 L919 D920 E922	N890-L924 HydrophobicContact CB-CD2 4.49Å; L919-L924 CarbonylContact C-O 3.23Å; L919-L924 VanDerWaalsContact CA-O 3.24Å; L919-L924 WeakPolarHBondContact CA-O 3.41Å; L919-L924 WeakPolarHBondContact CD2-O 3.48Å; D920-L924 PolarHBondContact N-O 2.66Å; D920-L924 WeakPolarHBondContact OD1-CB 3.43Å; D920-L924 PolarHBondContact OD1-N 2.98Å; E922-L924 VanDerWaalsContact C-N 3.29Å; E922-L924 HydrophobicContact CB-CD1 4.4Å; E922-L924 HydrophobicContact CB-CG 4.3Å; E922-L924 PolarHBondContact O-N 3.38Å
925	L	89.4	Confident	87.7	Confident	24 Å²	24	48.5 Å²	48.5	13%	0.126	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-84.5	116.8	-173.6	-170.3	73	0	0	0	111.8	L882 K885 A886 L919 R930	L882-L925 HydrophobicContact CD1-CD1 3.57Å; K885-L925 HydrophobicContact CB-CD1 4.32Å; A886-L925 HydrophobicContact CB-CD2 3.86Å; L919-L925 HydrophobicContact CD2-CD1 4.29Å; L925-R930 HydrophobicContact CD2-CB 4.03Å; L925-R930 HydrophobicContact CD2-CG 4.46Å; L925-R930 HydrophobicContact CG-CB 4.49Å
926	T	91.5	Very high	87.6	Confident	31 Å²	31	48.2 Å²	48.2	19%	0.19	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-67.8	166.4	178.9	76	0	0	0	0	111.8	S917 A918 L919 D920 L928 G929 R930	S917-T926 WeakPolarHBondContact O-CG2 3.45Å; S917-T926 PolarHBondContact O-OG1 3.4Å; A918-T926 PolarHBondContact O-N 3.17Å; A918-T926 PolarHBondContact O-OG1 3.26Å; L919-T926 VanDerWaalsContact C-CG2 3.46Å; D920-T926 HydrophobicContact CB-CG2 4.02Å; T926-L928 PolarHBondContact O-N 2.67Å; T926-L928 PolarHBondContact OG1-N 2.82Å; T926-G929 PolarHBondContact O-N 3.23Å; T926-G929 VanDerWaalsContact O-N 3.16Å; T926-G929 PolarHBondContact OG1-N 2.79Å; T926-R930 PolarHBondContact O-N 2.94Å
927	R	87.5	Confident	87.6	Confident	165 Å²	165	48.7 Å²	48.7	62%	0.623	23%	0.232	S	C	*	.	H	α-helix	trans	-60.6	-33.1	172.1	-65.9	-172.4	-178.4	-171	9.1	112.4	D321 R931	D321-R927 VanDerWaalsContact OD1-CD 3.3Å; D321-R927 WeakPolarHBondContact OD1-CD 2.48Å; D321-R927 IonicContact OD1-CZ 3.47Å; D321-R927 VanDerWaalsContact OD1-CZ 3.32Å; D321-R927 IonicContact OD1-NE 3.77Å; D321-R927 IonicContact OD1-NH1 3.9Å; D321-R927 PolarHBondContact OD1-NH1 2.83Å; D321-R927 WeakPolarHBondContact OD2-CD 3.47Å; D321-R927 IonicContact OD2-CZ 3.85Å; D321-R927 IonicContact OD2-NE 2.78Å; D321-R927 IonicContact OD2-NH1 3.14Å; D321-R927 PolarHBondContact OD2-NH1 3.22Å; R927-R931 PolarHBondContact O-N 3.29Å
928	L	89.5	Confident	87.6	Confident	42 Å²	42	50 Å²	50	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-50.1	172	-179.7	64.4	0	0	0	110.3	T926 R930 R931 M932 I946	T926-L928 PolarHBondContact O-N 2.67Å; T926-L928 PolarHBondContact OG1-N 2.82Å; L928-R930 VanDerWaalsContact C-N 3.29Å; L928-R930 PolarHBondContact O-N 2.91Å; L928-R931 PolarHBondContact O-N 3.3Å; L928-R931 VanDerWaalsContact O-N 3.16Å; L928-M932 HydrophobicContact CD1-CG 4.48Å; L928-M932 HydrophobicContact CD1-SD 4.38Å; L928-M932 HydrophobicContact CD2-SD 4.33Å; L928-M932 HydrophobicContact CG-CG 4.4Å; L928-M932 HydrophobicContact CG-SD 3.81Å; L928-M932 VanDerWaalsContact O-CG 3.28Å; L928-M932 WeakPolarHBondContact O-CG 3.31Å; L928-M932 PolarHBondContact O-N 3.21Å; L928-I946 HydrophobicContact CD1-CB 4.22Å; L928-I946 HydrophobicContact CD1-CD1 3.96Å; L928-I946 HydrophobicContact CD1-CG2 3.7Å
929	G	89.9	Confident	87.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-38.9	177.3	0	0	0	0	0	113.4	T926 M932 A933	T926-G929 PolarHBondContact O-N 3.23Å; T926-G929 VanDerWaalsContact O-N 3.16Å; T926-G929 PolarHBondContact OG1-N 2.79Å; G929-M932 WeakPolarHBondContact O-CB 3.26Å; G929-M932 PolarHBondContact O-N 3.49Å; G929-A933 PolarHBondContact O-N 3.17Å
930	R	88.4	Confident	87.7	Confident	157 Å²	157	51 Å²	51	59%	0.592	24%	0.238	S	C	*	.	H	α-helix	trans	-62.8	-49.5	174.8	-168.2	173.6	-61	-169.7	0.6	112	L925 T926 L928 M932 A933 E934	L925-R930 HydrophobicContact CD2-CB 4.03Å; L925-R930 HydrophobicContact CD2-CG 4.46Å; L925-R930 HydrophobicContact CG-CB 4.49Å; T926-R930 PolarHBondContact O-N 2.94Å; L928-R930 VanDerWaalsContact C-N 3.29Å; L928-R930 PolarHBondContact O-N 2.91Å; R930-M932 VanDerWaalsContact C-N 3.26Å; R930-M932 PolarHBondContact O-N 3.41Å; R930-A933 PolarHBondContact O-N 2.36Å; R930-E934 WeakPolarHBondContact O-CG 3.42Å; R930-E934 PolarHBondContact O-N 3.12Å
931	R	88	Confident	88	Confident	56 Å²	56	48.8 Å²	48.8	21%	0.211	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-39.8	173.3	-71.6	-178.3	178.7	-179.8	-0	111.4	N319 R927 L928 A933 E934 F935 I946	N319-R931 PolarHBondContact OD1-NH1 3.47Å; N319-R931 PolarHBondContact OD1-NH2 3.03Å; R927-R931 PolarHBondContact O-N 3.29Å; L928-R931 PolarHBondContact O-N 3.3Å; L928-R931 VanDerWaalsContact O-N 3.16Å; R931-A933 VanDerWaalsContact C-N 3.34Å; R931-A933 PolarHBondContact O-N 3.14Å; R931-E934 WeakPolarHBondContact CA-OE2 3.01Å; R931-E934 PolarHBondContact O-N 2.77Å; R931-F935 WeakPolarHBondContact O-CD2 3.23Å; R931-I946 HydrophobicContact CB-CD1 3.71Å
932	M	90.8	Very high	88.3	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-35.6	178.7	-71.5	169.8	50.6	0	0	113.3	L882 L916 A918 L928 G929 R930 E934 P939 S942 K943 I946	L882-M932 HydrophobicContact CD2-CB 4.1Å; L882-M932 HydrophobicContact CD2-CE 4.47Å; L916-M932 HydrophobicContact CB-CE 4.48Å; A918-M932 HydrophobicContact CB-CE 3.75Å; A918-M932 HydrophobicContact CB-SD 3.98Å; L928-M932 HydrophobicContact CD1-CG 4.48Å; L928-M932 HydrophobicContact CD1-SD 4.38Å; L928-M932 HydrophobicContact CD2-SD 4.33Å; L928-M932 HydrophobicContact CG-CG 4.4Å; L928-M932 HydrophobicContact CG-SD 3.81Å; L928-M932 VanDerWaalsContact O-CG 3.28Å; L928-M932 WeakPolarHBondContact O-CG 3.31Å; L928-M932 PolarHBondContact O-N 3.21Å; G929-M932 WeakPolarHBondContact O-CB 3.26Å; G929-M932 PolarHBondContact O-N 3.49Å; R930-M932 VanDerWaalsContact C-N 3.26Å; R930-M932 PolarHBondContact O-N 3.41Å; M932-E934 VanDerWaalsContact C-N 3.34Å; M932-P939 HydrophobicContact CE-CB 3.76Å; M932-P939 VanDerWaalsContact CE-O 3.23Å; M932-P939 WeakPolarHBondContact CE-O 3.23Å; M932-S942 PolarHBondContact O-OG 3.46Å; M932-K943 HydrophobicContact CE-CB 4.29Å; M932-K943 HydrophobicContact SD-CB 4.13Å; M932-I946 HydrophobicContact CB-CD1 4.49Å; M932-I946 HydrophobicContact CG-CD1 3.65Å
933	A	88.9	Confident	88.7	Confident	8 Å²	8	37.4 Å²	37.4	7%	0.066	17%	0.17	C	C	.	.	H	α-helix	trans	-72.2	-24.2	179	0	0	0	0	0	113.6	L882 A886 G929 R930 R931 F935	L882-A933 HydrophobicContact CD1-CB 4.33Å; L882-A933 HydrophobicContact CD2-CB 4.39Å; L882-A933 HydrophobicContact CG-CB 3.92Å; A886-A933 HydrophobicContact CB-CB 3.57Å; G929-A933 PolarHBondContact O-N 3.17Å; R930-A933 PolarHBondContact O-N 2.36Å; R931-A933 VanDerWaalsContact C-N 3.34Å; R931-A933 PolarHBondContact O-N 3.14Å; A933-F935 VanDerWaalsContact C-N 3.32Å
934	E	84.9	Confident	89.1	Confident	71 Å²	71	37.4 Å²	37.4	33%	0.332	17%	0.169	S	C	.	.	H	α-helix	trans	-75.1	-22.1	179.1	-67.1	171.6	123.8	0	0	112.4	R620 R930 R931 M932 H1041	R620-E934 PolarHBondContact NH2-O 3.01Å; R930-E934 WeakPolarHBondContact O-CG 3.42Å; R930-E934 PolarHBondContact O-N 3.12Å; R931-E934 WeakPolarHBondContact CA-OE2 3.01Å; R931-E934 PolarHBondContact O-N 2.77Å; M932-E934 VanDerWaalsContact C-N 3.34Å; E934-H1041 IonicContact OE1-CE1 2.68Å; E934-H1041 PolarHBondContact OE1-CE1 3.03Å; E934-H1041 IonicContact OE1-ND1 2.94Å; E934-H1041 IonicContact OE2-CE1 3.89Å; E934-H1041 PolarHBondContact OE2-CE1 3.38Å; E934-H1041 VanDerWaalsContact OE2-CE1 3.27Å; E934-H1041 IonicContact OE2-ND1 2.73Å; E934-H1041 PolarHBondContact OE2-ND1 3.2Å; E934-H1041 IonicContact OE2-NE2 2.88Å
935	F	86.8	Confident	89.3	Confident	3 Å²	3	34.4 Å²	34.4	1%	0.013	15%	0.154	C	C	.	.	S	Bend	trans	-82.9	133.5	174.1	-70.5	-74.9	0	0	0	112	R931 A933 L937 L945 I946 L1034 I1037 M1038 L1043	R931-F935 WeakPolarHBondContact O-CD2 3.23Å; A933-F935 VanDerWaalsContact C-N 3.32Å; F935-L937 HydrophobicContact CB-CB 4.46Å; F935-L937 HydrophobicContact CB-CD1 4.32Å; F935-L937 HydrophobicContact CB-CG 4.43Å; F935-L937 PolarHBondContact O-N 2.86Å; F935-L945 HydrophobicContact CD1-CD2 3.9Å; F935-L945 HydrophobicContact CE1-CD2 3.59Å; F935-L945 HydrophobicContact CZ-CD2 4.03Å; F935-I946 HydrophobicContact CD2-CD1 4.4Å; F935-I946 HydrophobicContact CE2-CD1 4.07Å; F935-I946 HydrophobicContact CE2-CG1 3.89Å; F935-L1034 HydrophobicContact CD1-CD2 3.98Å; F935-I1037 HydrophobicContact CD1-CB 4.21Å; F935-I1037 HydrophobicContact CD1-CD1 4.49Å; F935-I1037 HydrophobicContact CD1-CG2 3.57Å; F935-I1037 HydrophobicContact CE1-CB 3.96Å; F935-I1037 HydrophobicContact CE1-CG2 3.39Å; F935-I1037 HydrophobicContact CG-CG2 4.33Å; F935-I1037 HydrophobicContact CZ-CG2 4.01Å; F935-M1038 HydrophobicContact CE1-CG 3.93Å; F935-M1038 HydrophobicContact CZ-CG 4.03Å; F935-L1043 HydrophobicContact CE2-CD1 4.5Å; F935-L1043 HydrophobicContact CZ-CD1 3.99Å
936	P	85.1	Confident	89.4	Confident	18 Å²	18	33.4 Å²	33.4	12%	0.117	15%	0.148	C	C	.	.	S	Bend	trans	-83.9	61.2	177.2	36.7	-35.2	0	0	0	110.2	R599 I1037	R599-P936 PolarHBondContact NH2-O 2.89Å; P936-I1037 HydrophobicContact CG-CD1 4.12Å
937	L	86.5	Confident	89.3	Confident	14 Å²	14	32.6 Å²	32.6	7%	0.073	14%	0.143	C	C	.	.	S	Bend	trans	-139.8	168.1	-174.2	-65.6	175.4	0	0	0	110.3	F935 L941 L945 V961 S965 L1034	F935-L937 HydrophobicContact CB-CB 4.46Å; F935-L937 HydrophobicContact CB-CD1 4.32Å; F935-L937 HydrophobicContact CB-CG 4.43Å; F935-L937 PolarHBondContact O-N 2.86Å; L937-L941 HydrophobicContact CB-CB 4.21Å; L937-L941 HydrophobicContact CD1-CB 4.44Å; L937-L945 HydrophobicContact CD1-CD2 4.23Å; L937-V961 HydrophobicContact CD1-CG1 3.56Å; L937-V961 HydrophobicContact CD2-CG1 4.03Å; L937-V961 HydrophobicContact CG-CG1 4.46Å; L937-S965 WeakPolarHBondContact CD2-OG 3.41Å; L937-L1034 HydrophobicContact CD1-CD1 4.1Å; L937-L1034 HydrophobicContact CD1-CD2 3.72Å; L937-L1034 HydrophobicContact CD2-CD1 4.32Å; L937-L1034 HydrophobicContact CD2-CD2 4.34Å; L937-L1034 HydrophobicContact CG-CD2 3.98Å
938	E	87.5	Confident	89.4	Confident	88 Å²	88	24.8 Å²	24.8	41%	0.411	11%	0.113	S	C	.	.			trans	-68.3	147.6	168.8	-70	-52.6	137.4	0	0	111.4	S879 T940 L941 S942	S879-E938 WeakPolarHBondContact CB-OE2 3.38Å; E938-T940 PolarHBondContact O-N 2.91Å; E938-T940 VanDerWaalsContact O-N 3.12Å; E938-L941 HydrophobicContact CB-CD1 4.45Å; E938-L941 PolarHBondContact O-N 3.35Å; E938-S942 PolarHBondContact O-N 3.02Å; E938-S942 PolarHBondContact O-OG 2.83Å
939	P	90.5	Very high	89.5	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.013	11%	0.108	C	C	.	.	H	α-helix	trans	-53.3	-35.8	-177.5	-29.9	36.7	0	0	0	114.5	A878 L882 L913 L916 M932 S942 K943	A878-P939 HydrophobicContact CB-CG 4.43Å; L882-P939 HydrophobicContact CD2-CB 4.22Å; L882-P939 HydrophobicContact CD2-CG 3.89Å; L913-P939 HydrophobicContact CD2-CB 3.98Å; L913-P939 HydrophobicContact CD2-CG 3.92Å; L916-P939 HydrophobicContact CD1-CB 3.54Å; M932-P939 HydrophobicContact CE-CB 3.76Å; M932-P939 VanDerWaalsContact CE-O 3.23Å; M932-P939 WeakPolarHBondContact CE-O 3.23Å; P939-S942 PolarHBondContact O-N 3.34Å; P939-K943 WeakPolarHBondContact O-CB 3.46Å; P939-K943 PolarHBondContact O-N 2.87Å
940	T	91.6	Very high	89.3	Confident	21 Å²	21	25.8 Å²	25.8	13%	0.129	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-48.6	174.4	48.2	0	0	0	0	112.1	L916 E938 K943 L944 G1062 F1063	L916-T940 HydrophobicContact CD1-CG2 4.3Å; L916-T940 HydrophobicContact CD2-CG2 4.17Å; E938-T940 PolarHBondContact O-N 2.91Å; E938-T940 VanDerWaalsContact O-N 3.12Å; T940-K943 PolarHBondContact O-N 3.46Å; T940-L944 VanDerWaalsContact O-CB 3.24Å; T940-L944 WeakPolarHBondContact O-CB 3.42Å; T940-L944 PolarHBondContact O-N 3.4Å; T940-G1062 WeakPolarHBondContact CB-O 3.36Å; T940-F1063 HydrophobicContact CG2-CD1 4.43Å; T940-F1063 HydrophobicContact CG2-CE1 4.41Å
941	L	92.4	Very high	89.2	Confident	8 Å²	8	19.2 Å²	19.2	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-66.6	-37.5	176.4	-69.2	171.5	0	0	0	112	L937 E938 L945 V961 L964 F1063	L937-L941 HydrophobicContact CB-CB 4.21Å; L937-L941 HydrophobicContact CD1-CB 4.44Å; E938-L941 HydrophobicContact CB-CD1 4.45Å; E938-L941 PolarHBondContact O-N 3.35Å; L941-L945 WeakPolarHBondContact O-CB 3.31Å; L941-L945 PolarHBondContact O-N 3.48Å; L941-V961 HydrophobicContact CB-CG1 4.45Å; L941-V961 HydrophobicContact CD2-CG2 4.21Å; L941-L964 HydrophobicContact CD2-CD1 4.14Å; L941-F1063 HydrophobicContact CD2-CE2 4.05Å; L941-F1063 HydrophobicContact CD2-CZ 3.69Å; L941-F1063 HydrophobicContact CG-CZ 4.15Å
942	S	91.7	Very high	89.2	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.5	-44.1	174.3	-67.1	0	0	0	0	112.2	M932 E938 P939 L945 I946	M932-S942 PolarHBondContact O-OG 3.46Å; E938-S942 PolarHBondContact O-N 3.02Å; E938-S942 PolarHBondContact O-OG 2.83Å; P939-S942 PolarHBondContact O-N 3.34Å; S942-L945 PolarHBondContact O-N 3.2Å; S942-I946 WeakPolarHBondContact O-CD1 3.46Å; S942-I946 VanDerWaalsContact O-CG1 3.3Å; S942-I946 WeakPolarHBondContact O-CG1 3.27Å; S942-I946 PolarHBondContact O-N 3.1Å; S942-I946 VanDerWaalsContact O-N 3.09Å
943	K	90.9	Very high	89.1	Confident	10 Å²	10	17.3 Å²	17.3	4%	0.043	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-48.8	175	179	175.4	-174.9	163	0	111	L916 M932 P939 T940 L945 I946 I947 S1061	L916-K943 HydrophobicContact CB-CD 4.42Å; L916-K943 HydrophobicContact CD2-CB 4.37Å; L916-K943 HydrophobicContact CD2-CD 3.58Å; L916-K943 WeakPolarHBondContact O-CD 3.35Å; L916-K943 WeakPolarHBondContact O-CE 3.39Å; L916-K943 PolarHBondContact O-NZ 3.49Å; M932-K943 HydrophobicContact CE-CB 4.29Å; M932-K943 HydrophobicContact SD-CB 4.13Å; P939-K943 WeakPolarHBondContact O-CB 3.46Å; P939-K943 PolarHBondContact O-N 2.87Å; T940-K943 PolarHBondContact O-N 3.46Å; K943-L945 PolarHBondContact O-N 2.86Å; K943-I946 PolarHBondContact O-N 2.69Å; K943-I947 HydrophobicContact CD-CD1 4.31Å; K943-I947 HydrophobicContact CG-CD1 3.69Å; K943-I947 HydrophobicContact CG-CG1 4.4Å; K943-I947 WeakPolarHBondContact O-CG1 3.25Å; K943-I947 PolarHBondContact O-N 2.88Å; K943-S1061 VanDerWaalsContact CE-O 3.26Å; K943-S1061 WeakPolarHBondContact CE-O 3.45Å
944	L	92.2	Very high	89.2	Confident	4 Å²	4	17 Å²	17	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-44.5	178.2	-179.7	148.1	0	0	0	112.5	T940 S948 V957 V961 I1059 F1063	T940-L944 VanDerWaalsContact O-CB 3.24Å; T940-L944 WeakPolarHBondContact O-CB 3.42Å; T940-L944 PolarHBondContact O-N 3.4Å; L944-S948 WeakPolarHBondContact O-CB 3.17Å; L944-S948 PolarHBondContact O-N 2.88Å; L944-V957 HydrophobicContact CD2-CG1 3.34Å; L944-V957 HydrophobicContact CG-CG1 4.35Å; L944-V961 HydrophobicContact CD2-CG2 3.38Å; L944-I1059 HydrophobicContact CD1-CG1 4.49Å; L944-F1063 HydrophobicContact CD1-CD2 3.63Å; L944-F1063 HydrophobicContact CD1-CE2 3.52Å
945	L	92	Very high	89.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.3	-43	176.2	-173	63.3	0	0	0	111.7	F935 L937 L941 S942 K943 S948 V957 L958 M1038	F935-L945 HydrophobicContact CD1-CD2 3.9Å; F935-L945 HydrophobicContact CE1-CD2 3.59Å; F935-L945 HydrophobicContact CZ-CD2 4.03Å; L937-L945 HydrophobicContact CD1-CD2 4.23Å; L941-L945 WeakPolarHBondContact O-CB 3.31Å; L941-L945 PolarHBondContact O-N 3.48Å; S942-L945 PolarHBondContact O-N 3.2Å; K943-L945 PolarHBondContact O-N 2.86Å; L945-S948 PolarHBondContact O-N 3.06Å; L945-S948 PolarHBondContact O-OG 3.14Å; L945-V957 HydrophobicContact CD1-CG1 4.32Å; L945-L958 HydrophobicContact CD1-CB 4.07Å; L945-L958 HydrophobicContact CD1-CD1 4.2Å; L945-M1038 HydrophobicContact CD1-CE 4.32Å; L945-M1038 HydrophobicContact CD1-SD 3.87Å; L945-M1038 HydrophobicContact CD2-CG 4.47Å; L945-M1038 HydrophobicContact CD2-SD 4.11Å; L945-M1038 HydrophobicContact CG-SD 4.1Å
946	I	91.1	Very high	89.8	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-67.4	-43.9	178.8	-65	162.9	0	0	0	111.2	L928 R931 M932 F935 S942 K943 S948 V949 H950	L928-I946 HydrophobicContact CD1-CB 4.22Å; L928-I946 HydrophobicContact CD1-CD1 3.96Å; L928-I946 HydrophobicContact CD1-CG2 3.7Å; R931-I946 HydrophobicContact CB-CD1 3.71Å; M932-I946 HydrophobicContact CB-CD1 4.49Å; M932-I946 HydrophobicContact CG-CD1 3.65Å; F935-I946 HydrophobicContact CD2-CD1 4.4Å; F935-I946 HydrophobicContact CE2-CD1 4.07Å; F935-I946 HydrophobicContact CE2-CG1 3.89Å; S942-I946 WeakPolarHBondContact O-CD1 3.46Å; S942-I946 VanDerWaalsContact O-CG1 3.3Å; S942-I946 WeakPolarHBondContact O-CG1 3.27Å; S942-I946 PolarHBondContact O-N 3.1Å; S942-I946 VanDerWaalsContact O-N 3.09Å; K943-I946 PolarHBondContact O-N 2.69Å; I946-S948 VanDerWaalsContact C-N 3.3Å; I946-S948 PolarHBondContact O-N 2.9Å; I946-V949 WeakPolarHBondContact O-CB 3.36Å; I946-V949 PolarHBondContact O-N 3.13Å; I946-H950 PolarHBondContact O-CD2 3.01Å
947	I	88.9	Confident	90.3	Very high	15 Å²	15	16.7 Å²	16.7	8%	0.077	9%	0.087	C	C	.	.	H	α-helix	trans	-67.2	-30.5	179.2	-66.1	175.5	0	0	0	111.5	K943 V949 H950 L951 S1061	K943-I947 HydrophobicContact CD-CD1 4.31Å; K943-I947 HydrophobicContact CG-CD1 3.69Å; K943-I947 HydrophobicContact CG-CG1 4.4Å; K943-I947 WeakPolarHBondContact O-CG1 3.25Å; K943-I947 PolarHBondContact O-N 2.88Å; I947-V949 PolarHBondContact O-N 2.91Å; I947-V949 VanDerWaalsContact O-N 3.17Å; I947-H950 WeakPolarHBondContact O-CA 3.39Å; I947-H950 WeakPolarHBondContact O-CB 3.36Å; I947-H950 PolarHBondContact O-N 3.23Å; I947-L951 HydrophobicContact CG2-CD1 3.9Å; I947-L951 HydrophobicContact CG2-CG 4.21Å; I947-L951 PolarHBondContact O-N 2.76Å; I947-S1061 WeakPolarHBondContact CD1-OG 3.38Å; I947-S1061 WeakPolarHBondContact CG2-OG 3.31Å
948	S	91	Very high	90.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.6	-27.4	175	76.8	0	0	0	0	114.4	L944 L945 I946 L951 G952 C953 S954 V957	L944-S948 WeakPolarHBondContact O-CB 3.17Å; L944-S948 PolarHBondContact O-N 2.88Å; L945-S948 PolarHBondContact O-N 3.06Å; L945-S948 PolarHBondContact O-OG 3.14Å; I946-S948 VanDerWaalsContact C-N 3.3Å; I946-S948 PolarHBondContact O-N 2.9Å; S948-L951 PolarHBondContact O-N 3.02Å; S948-G952 PolarHBondContact O-N 3.05Å; S948-C953 PolarHBondContact O-N 3.34Å; S948-S954 WeakPolarHBondContact OG-CA 3.32Å; S948-V957 VanDerWaalsContact CB-CB 3.46Å
949	V	89.9	Confident	90.9	Very high	17 Å²	17	11.9 Å²	11.9	10%	0.103	6%	0.064	C	C	.	.	H	α-helix	trans	-71	-34.9	174	-179.8	0	0	0	0	110.8	I946 I947 M1038 L1043	I946-V949 WeakPolarHBondContact O-CB 3.36Å; I946-V949 PolarHBondContact O-N 3.13Å; I947-V949 PolarHBondContact O-N 2.91Å; I947-V949 VanDerWaalsContact O-N 3.17Å; V949-M1038 HydrophobicContact CG2-CE 3.65Å; V949-L1043 HydrophobicContact CG1-CB 4.26Å; V949-L1043 HydrophobicContact CG1-CD2 4.33Å; V949-L1043 HydrophobicContact CG2-CB 4.02Å; V949-L1043 HydrophobicContact CG2-CD1 4.46Å
950	H	85.7	Confident	91.1	Very high	46 Å²	46	12 Å²	12	21%	0.213	6%	0.064	C	C	.	.	H	α-helix	trans	-75.2	-29.8	176.8	-68.3	-128.3	0	0	0	112.2	L322 I946 I947	L322-H950 VanDerWaalsContact CD1-ND1 3.27Å; L322-H950 WeakPolarHBondContact CD1-ND1 3.34Å; I946-H950 PolarHBondContact O-CD2 3.01Å; I947-H950 WeakPolarHBondContact O-CA 3.39Å; I947-H950 WeakPolarHBondContact O-CB 3.36Å; I947-H950 PolarHBondContact O-N 3.23Å
951	L	87.6	Confident	91.2	Very high	19 Å²	19	11 Å²	11	10%	0.099	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4	176.7	-66.7	174.3	0	0	0	114	I947 S948 C953 K1057 A1058 F1128	I947-L951 HydrophobicContact CG2-CD1 3.9Å; I947-L951 HydrophobicContact CG2-CG 4.21Å; I947-L951 PolarHBondContact O-N 2.76Å; S948-L951 PolarHBondContact O-N 3.02Å; L951-C953 VanDerWaalsContact C-N 3.34Å; L951-C953 PolarHBondContact O-N 3.37Å; L951-K1057 HydrophobicContact CD1-CB 4.14Å; L951-A1058 HydrophobicContact CD1-CB 3.87Å; L951-F1128 HydrophobicContact CD1-CE1 4.44Å; L951-F1128 HydrophobicContact CD1-CZ 4.33Å
952	G	86.4	Confident	91.2	Very high	18 Å²	18	10.6 Å²	10.6	19%	0.186	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	17.5	178.3	0	0	0	0	0	115.7	S948 L1046 S1047 C1048	S948-G952 PolarHBondContact O-N 3.05Å; G952-L1046 CarbonylContact O-C 3.52Å; G952-S1047 CarbonylContact O-C 3.58Å; G952-S1047 VanDerWaalsContact O-C 3.23Å; G952-C1048 PolarHBondContact O-N 3.03Å
953	C	90.5	Very high	91.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.			trans	-112.3	27.2	-175.9	60.6	0	0	0	0	113.2	S948 L951 E956 V957 C1048 K1054 V1055	S948-C953 PolarHBondContact O-N 3.34Å; L951-C953 VanDerWaalsContact C-N 3.34Å; L951-C953 PolarHBondContact O-N 3.37Å; C953-E956 VanDerWaalsContact C-OE2 3.27Å; C953-V957 WeakPolarHBondContact O-CB 3.47Å; C953-V957 WeakPolarHBondContact O-CG2 3.45Å; C953-V957 PolarHBondContact O-N 3.05Å; C953-C1048 HydrophobicContact CB-CB 3.77Å; C953-K1054 PolarHBondContact SG-O 2.95Å; C953-V1055 HydrophobicContact CB-CG2 4.04Å
954	S	90.8	Very high	91.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-71.3	-30.6	-168.4	65.2	0	0	0	0	115.2	S948 L958 L1046	S948-S954 WeakPolarHBondContact OG-CA 3.32Å; S954-L958 WeakPolarHBondContact O-CB 3.43Å; S954-L958 PolarHBondContact O-N 3.27Å; S954-L1046 PolarHBondContact N-O 2.86Å; S954-L1046 PolarHBondContact OG-N 3.27Å; S954-L1046 PolarHBondContact OG-O 3.33Å
955	E	91.9	Very high	91	Very high	65 Å²	65	12.2 Å²	12.2	30%	0.304	7%	0.067	S	C	.	.	H	α-helix	trans	-68.7	-41.9	177.2	-167.8	-179.2	174.6	0	0	111	T959 K1005 R1031 M1045 L1046	E955-T959 WeakPolarHBondContact O-CB 3.32Å; E955-T959 PolarHBondContact O-N 2.83Å; E955-T959 PolarHBondContact O-OG1 2.83Å; E955-K1005 IonicContact OE1-NZ 3.53Å; E955-K1005 PolarHBondContact OE1-NZ 3.17Å; E955-K1005 VanDerWaalsContact OE1-NZ 3.14Å; E955-R1031 IonicContact OE1-CZ 2.71Å; E955-R1031 IonicContact OE1-NH2 2.62Å; E955-R1031 PolarHBondContact OE1-NH2 3.5Å; E955-M1045 HydrophobicContact CB-CE 4.14Å; E955-M1045 HydrophobicContact CG-CE 4.49Å; E955-L1046 PolarHBondContact N-O 3.04Å
956	E	92.9	Very high	90.6	Very high	21 Å²	21	13.1 Å²	13.1	10%	0.098	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-52.5	176.9	-62.1	76.4	-165.6	0	0	110.2	C953 T959 I960 L998 S1047 C1048 V1055	C953-E956 VanDerWaalsContact C-OE2 3.27Å; E956-T959 WeakPolarHBondContact O-CA 3.42Å; E956-T959 WeakPolarHBondContact O-CB 3.32Å; E956-T959 PolarHBondContact O-N 2.79Å; E956-T959 VanDerWaalsContact O-N 3.09Å; E956-I960 WeakPolarHBondContact O-CG1 3.44Å; E956-I960 PolarHBondContact O-N 2.82Å; E956-L998 HydrophobicContact CB-CD1 4.48Å; E956-L998 HydrophobicContact CB-CD2 3.86Å; E956-L998 HydrophobicContact CG-CD2 3.95Å; E956-S1047 WeakPolarHBondContact OE1-CA 3.48Å; E956-S1047 VanDerWaalsContact OE1-CB 3.24Å; E956-S1047 WeakPolarHBondContact OE1-CB 3.38Å; E956-S1047 PolarHBondContact OE1-OG 3.37Å; E956-S1047 WeakPolarHBondContact OE2-CA 3.46Å; E956-C1048 PolarHBondContact OE1-N 2.7Å; E956-C1048 PolarHBondContact OE2-N 3.33Å; E956-V1055 HydrophobicContact CB-CG2 4Å; E956-V1055 HydrophobicContact CG-CG2 4.38Å
957	V	94	Very high	90	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-43	-178.1	168.3	0	0	0	0	112.4	L944 L945 S948 C953 T959 I960 V961 V1055 A1058	L944-V957 HydrophobicContact CD2-CG1 3.34Å; L944-V957 HydrophobicContact CG-CG1 4.35Å; L945-V957 HydrophobicContact CD1-CG1 4.32Å; S948-V957 VanDerWaalsContact CB-CB 3.46Å; C953-V957 WeakPolarHBondContact O-CB 3.47Å; C953-V957 WeakPolarHBondContact O-CG2 3.45Å; C953-V957 PolarHBondContact O-N 3.05Å; V957-T959 PolarHBondContact O-N 2.72Å; V957-I960 PolarHBondContact O-N 2.89Å; V957-I960 VanDerWaalsContact O-N 3.15Å; V957-V961 HydrophobicContact CG1-CG2 4.09Å; V957-V961 WeakPolarHBondContact O-CB 3.19Å; V957-V961 VanDerWaalsContact O-CG2 3.31Å; V957-V961 WeakPolarHBondContact O-CG2 3.25Å; V957-V961 PolarHBondContact O-N 3.28Å; V957-V1055 HydrophobicContact CG2-CG1 4.11Å; V957-A1058 HydrophobicContact CG2-CB 4.07Å
958	L	93.8	Very high	89.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-54.8	-38.2	172.4	173.5	62.7	0	0	0	111.4	L945 S954 S962 R1031 L1034 L1035 M1038 M1045	L945-L958 HydrophobicContact CD1-CB 4.07Å; L945-L958 HydrophobicContact CD1-CD1 4.2Å; S954-L958 WeakPolarHBondContact O-CB 3.43Å; S954-L958 PolarHBondContact O-N 3.27Å; L958-S962 VanDerWaalsContact O-CB 3.31Å; L958-S962 WeakPolarHBondContact O-CB 3.34Å; L958-S962 PolarHBondContact O-N 3.07Å; L958-S962 VanDerWaalsContact O-N 3.12Å; L958-S962 PolarHBondContact O-OG 2.66Å; L958-R1031 HydrophobicContact CD1-CG 4.47Å; L958-R1031 HydrophobicContact CD2-CG 4.19Å; L958-R1031 HydrophobicContact CG-CG 3.9Å; L958-L1034 HydrophobicContact CD1-CB 3.4Å; L958-L1034 HydrophobicContact CD1-CD1 4.1Å; L958-L1034 HydrophobicContact CD1-CG 4.42Å; L958-L1035 HydrophobicContact CD2-CB 4.19Å; L958-L1035 HydrophobicContact CD2-CD1 3.96Å; L958-M1038 HydrophobicContact CD1-SD 3.98Å; L958-M1038 HydrophobicContact CD2-SD 4.26Å; L958-M1045 HydrophobicContact CB-CE 4.46Å; L958-M1045 HydrophobicContact CD2-CE 3.62Å; L958-M1045 HydrophobicContact CD2-SD 4.13Å
959	T	93.7	Very high	89.2	Confident	1 Å²	1	23 Å²	23	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-71.7	-43.7	178.1	-52.9	0	0	0	0	111.5	E955 E956 V957 S962 M963 L998 Y1001 R1031	E955-T959 WeakPolarHBondContact O-CB 3.32Å; E955-T959 PolarHBondContact O-N 2.83Å; E955-T959 PolarHBondContact O-OG1 2.83Å; E956-T959 WeakPolarHBondContact O-CA 3.42Å; E956-T959 WeakPolarHBondContact O-CB 3.32Å; E956-T959 PolarHBondContact O-N 2.79Å; E956-T959 VanDerWaalsContact O-N 3.09Å; V957-T959 PolarHBondContact O-N 2.72Å; T959-S962 PolarHBondContact O-N 2.81Å; T959-M963 VanDerWaalsContact O-CG 3.3Å; T959-M963 WeakPolarHBondContact O-CG 3.27Å; T959-M963 PolarHBondContact O-N 3.3Å; T959-L998 HydrophobicContact CG2-CD1 3.8Å; T959-Y1001 HydrophobicContact CG2-CD1 3.3Å; T959-Y1001 HydrophobicContact CG2-CD2 4.32Å; T959-Y1001 HydrophobicContact CG2-CE1 3.85Å; T959-Y1001 HydrophobicContact CG2-CG 3.57Å; T959-R1031 PolarHBondContact OG1-NE 2.9Å; T959-R1031 PolarHBondContact OG1-NH2 2.9Å; T959-R1031 VanDerWaalsContact OG1-NH2 3.17Å
960	I	93.9	Very high	89	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-51.2	175.8	-68	166.7	0	0	0	111	E956 V957 S962 M963 L964 H994 L998 V1055	E956-I960 WeakPolarHBondContact O-CG1 3.44Å; E956-I960 PolarHBondContact O-N 2.82Å; V957-I960 PolarHBondContact O-N 2.89Å; V957-I960 VanDerWaalsContact O-N 3.15Å; I960-S962 PolarHBondContact O-N 2.89Å; I960-M963 PolarHBondContact O-N 2.97Å; I960-L964 HydrophobicContact CG2-CD1 3.88Å; I960-L964 HydrophobicContact CG2-CG 4.26Å; I960-L964 WeakPolarHBondContact O-CG 3.42Å; I960-L964 PolarHBondContact O-N 3.16Å; I960-H994 HydrophobicContact CD1-CB 4.39Å; I960-H994 HydrophobicContact CG2-CB 3.93Å; I960-L998 HydrophobicContact CD1-CB 4.47Å; I960-L998 HydrophobicContact CD1-CD2 4.42Å; I960-L998 HydrophobicContact CG1-CB 4.1Å; I960-V1055 HydrophobicContact CD1-CG1 3.6Å
961	V	93.8	Very high	88.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.1	-39.9	176.5	170.8	0	0	0	0	111.4	L937 L941 L944 V957 M963 S965 L1034	L937-V961 HydrophobicContact CD1-CG1 3.56Å; L937-V961 HydrophobicContact CD2-CG1 4.03Å; L937-V961 HydrophobicContact CG-CG1 4.46Å; L941-V961 HydrophobicContact CB-CG1 4.45Å; L941-V961 HydrophobicContact CD2-CG2 4.21Å; L944-V961 HydrophobicContact CD2-CG2 3.38Å; V957-V961 HydrophobicContact CG1-CG2 4.09Å; V957-V961 WeakPolarHBondContact O-CB 3.19Å; V957-V961 VanDerWaalsContact O-CG2 3.31Å; V957-V961 WeakPolarHBondContact O-CG2 3.25Å; V957-V961 PolarHBondContact O-N 3.28Å; V961-M963 VanDerWaalsContact C-N 3.33Å; V961-M963 PolarHBondContact O-N 3.44Å; V961-S965 VanDerWaalsContact O-CB 3.3Å; V961-S965 WeakPolarHBondContact O-CB 3.49Å; V961-S965 PolarHBondContact O-N 2.75Å; V961-S965 PolarHBondContact O-OG 3.06Å; V961-L1034 HydrophobicContact CG1-CD1 3.92Å
962	S	93	Very high	88.2	Confident	1 Å²	1	34 Å²	34	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-69	-29.5	178.1	-59.1	0	0	0	0	113.4	L958 T959 I960 V966 A1027 R1031	L958-S962 VanDerWaalsContact O-CB 3.31Å; L958-S962 WeakPolarHBondContact O-CB 3.34Å; L958-S962 PolarHBondContact O-N 3.07Å; L958-S962 VanDerWaalsContact O-N 3.12Å; L958-S962 PolarHBondContact O-OG 2.66Å; T959-S962 PolarHBondContact O-N 2.81Å; I960-S962 PolarHBondContact O-N 2.89Å; S962-V966 WeakPolarHBondContact O-CG2 3.2Å; S962-A1027 WeakPolarHBondContact CB-O 3.31Å; S962-R1031 WeakPolarHBondContact OG-CA 3.39Å; S962-R1031 WeakPolarHBondContact OG-CB 3.26Å; S962-R1031 PolarHBondContact OG-N 2.9Å
963	M	91.5	Very high	87.5	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-79.7	-44.9	176.1	-68.8	-76	-83.2	0	0	111.7	T959 I960 V961 S965 V966 V969 L997 V1000 Y1001 L1024 A1027	T959-M963 VanDerWaalsContact O-CG 3.3Å; T959-M963 WeakPolarHBondContact O-CG 3.27Å; T959-M963 PolarHBondContact O-N 3.3Å; I960-M963 PolarHBondContact O-N 2.97Å; V961-M963 VanDerWaalsContact C-N 3.33Å; V961-M963 PolarHBondContact O-N 3.44Å; M963-S965 PolarHBondContact O-N 2.82Å; M963-V966 PolarHBondContact O-N 3.4Å; M963-V966 VanDerWaalsContact O-N 3.12Å; M963-V969 HydrophobicContact CE-CB 4.47Å; M963-V969 HydrophobicContact CE-CG1 4.02Å; M963-V969 HydrophobicContact CE-CG2 3.79Å; M963-V969 HydrophobicContact SD-CG2 4.34Å; M963-L997 HydrophobicContact CB-CB 4.27Å; M963-L997 HydrophobicContact CB-CD1 4.11Å; M963-L997 HydrophobicContact CE-CB 4.23Å; M963-L997 HydrophobicContact CE-CD2 4.31Å; M963-L997 WeakPolarHBondContact CE-O 3.42Å; M963-V1000 HydrophobicContact CE-CG1 4.45Å; M963-Y1001 HydrophobicContact CG-CD2 4.41Å; M963-Y1001 HydrophobicContact SD-CD2 3.77Å; M963-Y1001 HydrophobicContact SD-CG 4.4Å; M963-L1024 HydrophobicContact CE-CD2 3.82Å; M963-L1024 HydrophobicContact SD-CD2 3.96Å; M963-A1027 HydrophobicContact CG-CB 4.41Å; M963-A1027 HydrophobicContact SD-CB 3.62Å
964	L	91.3	Very high	86.6	Confident	20 Å²	20	39.6 Å²	39.6	11%	0.105	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-28.9	174	-66.2	175.9	0	0	0	112.4	L941 I960 V966 L997 E1116	L941-L964 HydrophobicContact CD2-CD1 4.14Å; I960-L964 HydrophobicContact CG2-CD1 3.88Å; I960-L964 HydrophobicContact CG2-CG 4.26Å; I960-L964 WeakPolarHBondContact O-CG 3.42Å; I960-L964 PolarHBondContact O-N 3.16Å; L964-V966 PolarHBondContact O-N 3.01Å; L964-V966 VanDerWaalsContact O-N 3.14Å; L964-L997 HydrophobicContact CD2-CD1 3.96Å; L964-E1116 HydrophobicContact CD2-CB 3.97Å; L964-E1116 HydrophobicContact CD2-CG 3.8Å
965	S	87.1	Confident	85.7	Confident	24 Å²	24	45.4 Å²	45.4	17%	0.168	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	6.8	175.8	-62.2	0	0	0	0	114.7	L937 V961 M963	L937-S965 WeakPolarHBondContact CD2-OG 3.41Å; V961-S965 VanDerWaalsContact O-CB 3.3Å; V961-S965 WeakPolarHBondContact O-CB 3.49Å; V961-S965 PolarHBondContact O-N 2.75Å; V961-S965 PolarHBondContact O-OG 3.06Å; M963-S965 PolarHBondContact O-N 2.82Å
966	V	84.7	Confident	85	Confident	20 Å²	20	46 Å²	46	12%	0.121	22%	0.215	C	C	.	.	S	Bend	trans	-127.2	157.1	176	-145.2	0	0	0	0	111.1	S962 M963 L964 T1023 R1026 A1027 I1030	S962-V966 WeakPolarHBondContact O-CG2 3.2Å; M963-V966 PolarHBondContact O-N 3.4Å; M963-V966 VanDerWaalsContact O-N 3.12Å; L964-V966 PolarHBondContact O-N 3.01Å; L964-V966 VanDerWaalsContact O-N 3.14Å; V966-T1023 HydrophobicContact CB-CG2 3.8Å; V966-T1023 HydrophobicContact CG1-CG2 3.55Å; V966-R1026 HydrophobicContact CG1-CB 4.23Å; V966-R1026 HydrophobicContact CG1-CG 3.99Å; V966-R1026 HydrophobicContact CG2-CG 4.42Å; V966-A1027 HydrophobicContact CG2-CB 3.87Å; V966-I1030 HydrophobicContact CG2-CD1 3.68Å
967	Q	77.1	Confident	84.3	Confident	109 Å²	109	47.7 Å²	47.7	51%	0.509	22%	0.223	S	C	.	.	S	Bend	trans	-59.3	159.7	171.5	-66.5	169.8	-34.9	0	0	111.7	V969 T1023	Q967-V969 PolarHBondContact O-N 2.9Å; Q967-T1023 WeakPolarHBondContact O-CG2 3.39Å
968	N	80.2	Confident	83.9	Confident	110 Å²	110	54.9 Å²	54.9	59%	0.588	26%	0.256	S	S	*	.			trans	-36.2	118.4	-177.1	-60.3	3.8	0	0	0	114.2	Q1020	N968-Q1020 PolarHBondContact O-NE2 3.33Å; N968-Q1020 VanDerWaalsContact O-NE2 3.13Å
969	V	84.6	Confident	83.6	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.036	28%	0.275	C	S	.	.	S	Bend	trans	-70.4	-34.9	-176.7	168.7	0	0	0	0	112.5	M963 Q967 L997 V1000 V1019 Q1020 T1023 L1024	M963-V969 HydrophobicContact CE-CB 4.47Å; M963-V969 HydrophobicContact CE-CG1 4.02Å; M963-V969 HydrophobicContact CE-CG2 3.79Å; M963-V969 HydrophobicContact SD-CG2 4.34Å; Q967-V969 PolarHBondContact O-N 2.9Å; V969-L997 HydrophobicContact CB-CD2 4.37Å; V969-L997 HydrophobicContact CG2-CD2 4.38Å; V969-V1000 HydrophobicContact CG1-CG1 4.08Å; V969-V1019 HydrophobicContact CG1-CG1 3.49Å; V969-V1019 VanDerWaalsContact CG1-CG1 3.49Å; V969-Q1020 PolarHBondContact O-N 2.83Å; V969-T1023 HydrophobicContact CG2-CG2 3.83Å; V969-L1024 HydrophobicContact CG1-CD2 4.12Å
970	F	85.2	Confident	83.1	Confident	42 Å²	42	58.8 Å²	58.8	18%	0.184	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-80.3	150.4	178.8	-55.3	-76.3	0	0	0	112	K984 T996 L997 V1000 Q1020	F970-K984 HydrophobicContact CD1-CD 4.09Å; F970-K984 HydrophobicContact CD1-CG 3.95Å; F970-K984 HydrophobicContact CD2-CD 4.19Å; F970-K984 HydrophobicContact CE1-CD 4.12Å; F970-K984 HydrophobicContact CE1-CG 3.7Å; F970-K984 HydrophobicContact CE2-CD 4.22Å; F970-K984 HydrophobicContact CG-CD 4.12Å; F970-K984 HydrophobicContact CG-CG 4.49Å; F970-K984 HydrophobicContact CZ-CD 4.19Å; F970-K984 HydrophobicContact CZ-CG 4.03Å; F970-T996 HydrophobicContact CZ-CG2 4.38Å; F970-L997 HydrophobicContact CE2-CD2 4.02Å; F970-V1000 HydrophobicContact CE1-CG2 3.91Å; F970-V1000 HydrophobicContact CZ-CG2 3.9Å; F970-Q1020 PolarHBondContact O-NE2 2.98Å
971	Y	76.6	Confident	82.7	Confident	132 Å²	132	61.5 Å²	61.5	52%	0.518	29%	0.292	S	S	.	.			trans	-121.7	126.3	172.4	176.2	-120.4	0	0	0	109	P973 F1018	Y971-P973 HydrophobicContact CD1-CB 4.48Å; Y971-P973 HydrophobicContact CD1-CG 4.17Å; Y971-P973 HydrophobicContact CE1-CB 3.76Å; Y971-P973 HydrophobicContact CE1-CG 3.86Å; Y971-P973 VanDerWaalsContact O-CD 3.28Å; Y971-P973 WeakPolarHBondContact O-CD 3.31Å; Y971-F1018 PolarHBondContact N-O 3.19Å; Y971-F1018 WeakPolarHBondContact O-CB 3.36Å
972	R	78.9	Confident	82.5	Confident	137 Å²	137	66.9 Å²	66.9	52%	0.517	32%	0.317	S	S	.	.			trans	-118.8	78.4	-175.6	-166	168.8	-177.1	-90.6	-2.4	110.1	Q977 D981	R972-Q977 HydrophobicContact CG-CG 4.22Å; R972-D981 WeakPolarHBondContact CD-OD1 3.33Å; R972-D981 IonicContact CZ-OD1 2.75Å; R972-D981 IonicContact CZ-OD2 2.69Å; R972-D981 VanDerWaalsContact CZ-OD2 3.24Å; R972-D981 VanDerWaalsContact NE-CG 3.31Å; R972-D981 IonicContact NE-OD1 2.66Å; R972-D981 PolarHBondContact NE-OD1 2.98Å; R972-D981 IonicContact NE-OD2 3.25Å; R972-D981 PolarHBondContact NE-OD2 3.16Å; R972-D981 IonicContact NH2-OD1 2.62Å; R972-D981 IonicContact NH2-OD2 2.74Å; R972-D981 PolarHBondContact NH2-OD2 2.95Å
973	P	72	Confident	82.2	Confident	16 Å²	16	68.9 Å²	68.9	10%	0.104	33%	0.326	C	S	.	.			trans	-65.4	140	179.7	26.7	-32.8	0	0	0	110.9	Y971 D975 K976 Q977 F1018	Y971-P973 HydrophobicContact CD1-CB 4.48Å; Y971-P973 HydrophobicContact CD1-CG 4.17Å; Y971-P973 HydrophobicContact CE1-CB 3.76Å; Y971-P973 HydrophobicContact CE1-CG 3.86Å; Y971-P973 VanDerWaalsContact O-CD 3.28Å; Y971-P973 WeakPolarHBondContact O-CD 3.31Å; P973-D975 PolarHBondContact O-N 2.97Å; P973-D975 VanDerWaalsContact O-N 3.12Å; P973-K976 HydrophobicContact CG-CB 4.26Å; P973-K976 CarbonylContact O-C 3.47Å; P973-K976 PolarHBondContact O-N 3.04Å; P973-K976 VanDerWaalsContact O-N 3.17Å; P973-Q977 WeakPolarHBondContact O-CG 3.35Å; P973-Q977 PolarHBondContact O-N 3.27Å; P973-F1018 HydrophobicContact CG-CD1 3.78Å; P973-F1018 HydrophobicContact CG-CE1 3.77Å
974	K	71.2	Confident	82	Confident	121 Å²	121	69.8 Å²	69.8	53%	0.526	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.8	-171.4	-68.8	-179.5	-179.3	172.2	0	113.2	Q977	K974-Q977 WeakPolarHBondContact O-CG 3.43Å; K974-Q977 PolarHBondContact O-NE2 2.93Å
975	D	72.2	Confident	81.8	Confident	121 Å²	121	72.2 Å²	72.2	65%	0.647	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-90.8	-8.2	-170.7	-13.6	-77.5	0	0	0	112.8	P973	P973-D975 PolarHBondContact O-N 2.97Å; P973-D975 VanDerWaalsContact O-N 3.12Å
976	K	78	Confident	81.8	Confident	77 Å²	77	78.8 Å²	78.8	34%	0.335	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-137.4	33.1	179.7	-62.1	-167.9	175.2	-171.2	0	112.3	H486 P973 E978 L979 A980 F1018	H486-K976 PolarHBondContact CE1-NZ 3.06Å; H486-K976 PolarHBondContact NE2-NZ 3.18Å; P973-K976 HydrophobicContact CG-CB 4.26Å; P973-K976 CarbonylContact O-C 3.47Å; P973-K976 PolarHBondContact O-N 3.04Å; P973-K976 VanDerWaalsContact O-N 3.17Å; K976-E978 PolarHBondContact O-N 3.06Å; K976-L979 HydrophobicContact CB-CB 4.48Å; K976-L979 PolarHBondContact O-N 3.35Å; K976-A980 WeakPolarHBondContact O-CB 3.29Å; K976-A980 PolarHBondContact O-N 3.3Å; K976-F1018 HydrophobicContact CB-CE1 4.12Å; K976-F1018 HydrophobicContact CB-CZ 4.08Å; K976-F1018 HydrophobicContact CD-CE1 4.43Å; K976-F1018 HydrophobicContact CD-CZ 4.2Å
977	Q	78	Confident	82	Confident	58 Å²	58	78.8 Å²	78.8	27%	0.271	37%	0.372	S	S	.	.	H	α-helix	trans	-54.5	-54.3	-179.2	-71.7	177.7	78	0	0	111.6	R972 P973 K974 L979 A980 D981	R972-Q977 HydrophobicContact CG-CG 4.22Å; P973-Q977 WeakPolarHBondContact O-CG 3.35Å; P973-Q977 PolarHBondContact O-N 3.27Å; K974-Q977 WeakPolarHBondContact O-CG 3.43Å; K974-Q977 PolarHBondContact O-NE2 2.93Å; Q977-L979 VanDerWaalsContact C-N 3.34Å; Q977-L979 PolarHBondContact O-N 2.83Å; Q977-A980 PolarHBondContact O-N 2.93Å; Q977-A980 VanDerWaalsContact O-N 3.16Å; Q977-D981 WeakPolarHBondContact O-CB 3.39Å; Q977-D981 PolarHBondContact O-N 2.77Å
978	E	85.5	Confident	82.5	Confident	151 Å²	151	76.5 Å²	76.5	71%	0.706	36%	0.361	S	S	*	.	H	α-helix	trans	-57.4	-44	179.4	-59.1	-172.1	153.6	0	0	112.9	K976 D981 Q982	K976-E978 PolarHBondContact O-N 3.06Å; E978-D981 PolarHBondContact O-N 2.61Å; E978-Q982 WeakPolarHBondContact O-CB 3.37Å; E978-Q982 WeakPolarHBondContact O-CG 3.28Å; E978-Q982 PolarHBondContact O-N 3.44Å
979	L	87.5	Confident	82.8	Confident	77 Å²	77	74.5 Å²	74.5	40%	0.403	35%	0.349	S	S	.	.	H	α-helix	trans	-69	-36.1	-179.7	-173.9	64.6	0	0	0	111.6	K976 Q977 K983 F1018	K976-L979 HydrophobicContact CB-CB 4.48Å; K976-L979 PolarHBondContact O-N 3.35Å; Q977-L979 VanDerWaalsContact C-N 3.34Å; Q977-L979 PolarHBondContact O-N 2.83Å; L979-K983 WeakPolarHBondContact O-CB 3.4Å; L979-K983 VanDerWaalsContact O-CG 3.29Å; L979-K983 WeakPolarHBondContact O-CG 3.35Å; L979-K983 PolarHBondContact O-N 3.08Å; L979-F1018 HydrophobicContact CB-CE2 4.46Å; L979-F1018 HydrophobicContact CD2-CE2 4.12Å; L979-F1018 HydrophobicContact CD2-CZ 4.06Å; L979-F1018 HydrophobicContact CG-CE2 3.97Å; L979-F1018 HydrophobicContact CG-CZ 4.3Å
980	A	82.9	Confident	82.8	Confident	7 Å²	7	78.7 Å²	78.7	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-41.2	173.1	0	0	0	0	0	111.4	K976 Q977 K983 K984 F1018	K976-A980 WeakPolarHBondContact O-CB 3.29Å; K976-A980 PolarHBondContact O-N 3.3Å; Q977-A980 PolarHBondContact O-N 2.93Å; Q977-A980 VanDerWaalsContact O-N 3.16Å; A980-K983 PolarHBondContact O-N 3.15Å; A980-K984 WeakPolarHBondContact O-CB 2.86Å; A980-K984 PolarHBondContact O-N 3.3Å; A980-F1018 HydrophobicContact CB-CB 4.13Å; A980-F1018 HydrophobicContact CB-CD1 4.21Å; A980-F1018 HydrophobicContact CB-CD2 3.91Å; A980-F1018 HydrophobicContact CB-CE2 4.38Å; A980-F1018 HydrophobicContact CB-CG 3.82Å
981	D	86.4	Confident	82.9	Confident	60 Å²	60	79.4 Å²	79.4	32%	0.321	38%	0.38	S	S	.	.	H	α-helix	trans	-71.2	-39.5	178.8	-63.1	-26.7	0	0	0	111.7	R972 Q977 E978 K984 S985	R972-D981 WeakPolarHBondContact CD-OD1 3.33Å; R972-D981 IonicContact CZ-OD1 2.75Å; R972-D981 IonicContact CZ-OD2 2.69Å; R972-D981 VanDerWaalsContact CZ-OD2 3.24Å; R972-D981 VanDerWaalsContact NE-CG 3.31Å; R972-D981 IonicContact NE-OD1 2.66Å; R972-D981 PolarHBondContact NE-OD1 2.98Å; R972-D981 IonicContact NE-OD2 3.25Å; R972-D981 PolarHBondContact NE-OD2 3.16Å; R972-D981 IonicContact NH2-OD1 2.62Å; R972-D981 IonicContact NH2-OD2 2.74Å; R972-D981 PolarHBondContact NH2-OD2 2.95Å; Q977-D981 WeakPolarHBondContact O-CB 3.39Å; Q977-D981 PolarHBondContact O-N 2.77Å; E978-D981 PolarHBondContact O-N 2.61Å; D981-K984 PolarHBondContact O-N 3.19Å; D981-S985 WeakPolarHBondContact O-CB 3.1Å; D981-S985 PolarHBondContact O-N 2.81Å
982	Q	88.3	Confident	83.4	Confident	112 Å²	112	73.1 Å²	73.1	52%	0.523	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-42.7	169.4	-74.5	172.1	24.4	0	0	111.9	E978	E978-Q982 WeakPolarHBondContact O-CB 3.37Å; E978-Q982 WeakPolarHBondContact O-CG 3.28Å; E978-Q982 PolarHBondContact O-N 3.44Å
983	K	87.6	Confident	84	Confident	43 Å²	43	66.8 Å²	66.8	19%	0.187	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-39.3	174.5	-77.8	-55.1	-164.3	90.6	0	111.5	L979 A980 K986 F987 E1016 N1017 F1018	L979-K983 WeakPolarHBondContact O-CB 3.4Å; L979-K983 VanDerWaalsContact O-CG 3.29Å; L979-K983 WeakPolarHBondContact O-CG 3.35Å; L979-K983 PolarHBondContact O-N 3.08Å; A980-K983 PolarHBondContact O-N 3.15Å; K983-K986 PolarHBondContact O-N 3.31Å; K983-F987 VanDerWaalsContact O-CD2 3.31Å; K983-F987 WeakPolarHBondContact O-CD2 3.16Å; K983-F987 WeakPolarHBondContact O-CE2 3.39Å; K983-E1016 PolarHBondContact NZ-O 3.49Å; K983-N1017 PolarHBondContact NZ-OD1 2.97Å; K983-F1018 HydrophobicContact CB-CD2 4.38Å; K983-F1018 HydrophobicContact CG-CD2 4.26Å; K983-F1018 HydrophobicContact CG-CE2 4.35Å
984	K	86.2	Confident	85	Confident	23 Å²	23	66.1 Å²	66.1	10%	0.1	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-44.2	176.4	-170.5	-177.1	171	170.1	0	111.9	F970 A980 D981 K986 F987 H988 S1090	F970-K984 HydrophobicContact CD1-CD 4.09Å; F970-K984 HydrophobicContact CD1-CG 3.95Å; F970-K984 HydrophobicContact CD2-CD 4.19Å; F970-K984 HydrophobicContact CE1-CD 4.12Å; F970-K984 HydrophobicContact CE1-CG 3.7Å; F970-K984 HydrophobicContact CE2-CD 4.22Å; F970-K984 HydrophobicContact CG-CD 4.12Å; F970-K984 HydrophobicContact CG-CG 4.49Å; F970-K984 HydrophobicContact CZ-CD 4.19Å; F970-K984 HydrophobicContact CZ-CG 4.03Å; A980-K984 WeakPolarHBondContact O-CB 2.86Å; A980-K984 PolarHBondContact O-N 3.3Å; D981-K984 PolarHBondContact O-N 3.19Å; K984-K986 PolarHBondContact O-N 2.96Å; K984-K986 VanDerWaalsContact O-N 3.12Å; K984-F987 PolarHBondContact O-N 3.21Å; K984-H988 PolarHBondContact O-CD2 2.94Å; K984-S1090 PolarHBondContact NZ-O 2.8Å
985	S	87.1	Confident	85.9	Confident	70 Å²	70	61 Å²	61	49%	0.49	31%	0.305	S	S	.	.	H	α-helix	trans	-52.5	-34.1	179	172.5	0	0	0	0	112.7	D981 F987 H988	D981-S985 WeakPolarHBondContact O-CB 3.1Å; D981-S985 PolarHBondContact O-N 2.81Å; S985-F987 PolarHBondContact O-N 3.45Å; S985-F987 VanDerWaalsContact O-N 3.14Å; S985-H988 WeakPolarHBondContact O-CB 3.37Å; S985-H988 PolarHBondContact O-N 3.19Å; S985-H988 VanDerWaalsContact O-N 3.11Å
986	K	88.2	Confident	86.9	Confident	163 Å²	163	55.2 Å²	55.2	71%	0.709	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	175.7	-59.9	-169.2	-179.2	-161.4	0	115	K983 K984	K983-K986 PolarHBondContact O-N 3.31Å; K984-K986 PolarHBondContact O-N 2.96Å; K984-K986 VanDerWaalsContact O-N 3.12Å
987	F	88.5	Confident	87.6	Confident	19 Å²	19	51.9 Å²	51.9	8%	0.083	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-12.9	176.8	-57.3	-73.6	0	0	0	113.1	K983 K984 S985 Q989 T996 V1000 W1013 N1017	K983-F987 VanDerWaalsContact O-CD2 3.31Å; K983-F987 WeakPolarHBondContact O-CD2 3.16Å; K983-F987 WeakPolarHBondContact O-CE2 3.39Å; K984-F987 PolarHBondContact O-N 3.21Å; S985-F987 PolarHBondContact O-N 3.45Å; S985-F987 VanDerWaalsContact O-N 3.14Å; F987-Q989 PolarHBondContact O-N 3.29Å; F987-Q989 VanDerWaalsContact O-N 3.15Å; F987-Q989 PolarHBondContact O-NE2 2.8Å; F987-T996 HydrophobicContact CB-CG2 4.15Å; F987-V1000 HydrophobicContact CB-CG2 3.8Å; F987-V1000 HydrophobicContact CD1-CG2 3.89Å; F987-V1000 HydrophobicContact CD2-CG2 3.96Å; F987-V1000 HydrophobicContact CE1-CG2 4.49Å; F987-V1000 HydrophobicContact CG-CG2 3.6Å; F987-W1013 HydrophobicContact CE1-CH2 4.24Å; F987-W1013 AromaticContact CE1-CZ2 3.8Å; F987-W1013 HydrophobicContact CE1-CZ2 3.8Å; F987-W1013 HydrophobicContact CZ-CH2 4.04Å; F987-W1013 AromaticContact CZ-CZ2 3.63Å; F987-W1013 HydrophobicContact CZ-CZ2 3.63Å; F987-N1017 HydrophobicContact CE2-CB 4.2Å; F987-N1017 HydrophobicContact CZ-CB 4.32Å
988	H	87.6	Confident	88.2	Confident	61 Å²	61	49.9 Å²	49.9	28%	0.282	25%	0.251	S	S	.	.			trans	-57.8	119.5	-175.3	-74.2	-166.4	0	0	0	110.8	K984 S985	K984-H988 PolarHBondContact O-CD2 2.94Å; S985-H988 WeakPolarHBondContact O-CB 3.37Å; S985-H988 PolarHBondContact O-N 3.19Å; S985-H988 VanDerWaalsContact O-N 3.11Å
989	Q	86.7	Confident	88.6	Confident	69 Å²	69	43.8 Å²	43.8	32%	0.322	23%	0.227	S	C	.	.			trans	-95.3	132.3	167.6	-57.2	-50.4	-73.5	0	0	108.4	F987 E991 G992 L995 T996 A999 S1092	F987-Q989 PolarHBondContact O-N 3.29Å; F987-Q989 VanDerWaalsContact O-N 3.15Å; F987-Q989 PolarHBondContact O-NE2 2.8Å; Q989-E991 WeakPolarHBondContact CB-OE2 3.48Å; Q989-E991 PolarHBondContact O-N 2.97Å; Q989-G992 PolarHBondContact O-N 2.9Å; Q989-L995 HydrophobicContact CB-CB 3.91Å; Q989-L995 HydrophobicContact CG-CB 4.01Å; Q989-T996 PolarHBondContact N-OG1 3.23Å; Q989-A999 HydrophobicContact CG-CB 4.38Å; Q989-S1092 PolarHBondContact O-OG 3.4Å
990	P	85	Confident	88.8	Confident	93 Å²	93	40.1 Å²	40.1	60%	0.604	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.9	-176.5	28.2	-36	0	0	0	113.7	L1093	P990-L1093 VanDerWaalsContact O-CD2 3.3Å; P990-L1093 WeakPolarHBondContact O-CD2 3.24Å
991	E	85.8	Confident	89.3	Confident	57 Å²	57	40.2 Å²	40.2	27%	0.266	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-24.1	177.6	-53.2	86.8	167.5	0	0	112.8	Q989 L995 V1052 A1119	Q989-E991 WeakPolarHBondContact CB-OE2 3.48Å; Q989-E991 PolarHBondContact O-N 2.97Å; E991-L995 HydrophobicContact CB-CD1 3.59Å; E991-L995 HydrophobicContact CG-CD1 4.45Å; E991-V1052 HydrophobicContact CB-CG1 4.29Å; E991-V1052 HydrophobicContact CG-CG1 3.98Å; E991-A1119 PolarHBondContact O-N 2.71Å
992	G	88.7	Confident	89.5	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	157.1	175.9	173.4	0	0	0	0	0	118.2	Q989 T996 V1117	Q989-G992 PolarHBondContact O-N 2.9Å; G992-T996 PolarHBondContact O-N 3.28Å; G992-T996 PolarHBondContact O-OG1 2.96Å; G992-V1117 CarbonylContact C-O 3.6Å; G992-V1117 VanDerWaalsContact CA-O 3.29Å; G992-V1117 WeakPolarHBondContact CA-O 3.33Å
993	D	90.7	Very high	89.7	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-39.6	178.9	-73.9	-51.3	0	0	0	112.3	L995 T996 L997 S1091 S1092 E1116 V1117	D993-L995 PolarHBondContact O-N 3.35Å; D993-T996 CarbonylContact O-C 3.39Å; D993-T996 WeakPolarHBondContact O-CA 3.39Å; D993-T996 WeakPolarHBondContact O-CB 3.44Å; D993-T996 PolarHBondContact O-N 2.94Å; D993-L997 PolarHBondContact O-N 3.16Å; D993-S1091 VanDerWaalsContact OD1-CA 3.28Å; D993-S1091 WeakPolarHBondContact OD1-CA 3.23Å; D993-S1091 PolarHBondContact OD1-OG 3.16Å; D993-S1091 VanDerWaalsContact OD2-CB 3.25Å; D993-S1091 WeakPolarHBondContact OD2-CB 3.42Å; D993-S1091 PolarHBondContact OD2-OG 3Å; D993-S1092 PolarHBondContact OD1-N 3.41Å; D993-E1116 WeakPolarHBondContact CB-OE2 3.34Å; D993-V1117 PolarHBondContact N-O 3.2Å; D993-V1117 PolarHBondContact OD2-N 3.07Å
994	H	91.8	Very high	90	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-58	-38.8	-179.5	-62.5	-12	0	0	0	112.5	I960 L997 L998 I1059 E1116	I960-H994 HydrophobicContact CD1-CB 4.39Å; I960-H994 HydrophobicContact CG2-CB 3.93Å; H994-L997 PolarHBondContact O-N 2.9Å; H994-L998 PolarHBondContact O-N 2.8Å; H994-I1059 HydrophobicContact CB-CD1 4.16Å; H994-E1116 PolarHBondContact CE1-O 3.4Å; H994-E1116 IonicContact ND1-OE2 2.7Å
995	L	92	Very high	90.2	Very high	13 Å²	13	37 Å²	37	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-78.5	-29.4	177.8	-67.6	156.5	0	0	0	111.3	Q989 E991 D993 L998 A999 V1052 V1055 Q1056	Q989-L995 HydrophobicContact CB-CB 3.91Å; Q989-L995 HydrophobicContact CG-CB 4.01Å; E991-L995 HydrophobicContact CB-CD1 3.59Å; E991-L995 HydrophobicContact CG-CD1 4.45Å; D993-L995 PolarHBondContact O-N 3.35Å; L995-L998 HydrophobicContact CD2-CD2 4.17Å; L995-L998 PolarHBondContact O-N 2.95Å; L995-A999 WeakPolarHBondContact O-CB 3.43Å; L995-A999 PolarHBondContact O-N 2.93Å; L995-V1052 HydrophobicContact CD1-CG1 3.36Å; L995-V1052 HydrophobicContact CD2-CG1 4Å; L995-V1052 HydrophobicContact CG-CG1 4.32Å; L995-V1055 HydrophobicContact CD2-CB 4.42Å; L995-V1055 HydrophobicContact CD2-CG1 4.15Å; L995-Q1056 HydrophobicContact CD1-CG 4.4Å
996	T	92.2	Very high	90.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-41.5	166.9	-57.4	0	0	0	0	111.4	F970 F987 Q989 G992 D993 A999 V1000	F970-T996 HydrophobicContact CZ-CG2 4.38Å; F987-T996 HydrophobicContact CB-CG2 4.15Å; Q989-T996 PolarHBondContact N-OG1 3.23Å; G992-T996 PolarHBondContact O-N 3.28Å; G992-T996 PolarHBondContact O-OG1 2.96Å; D993-T996 CarbonylContact O-C 3.39Å; D993-T996 WeakPolarHBondContact O-CA 3.39Å; D993-T996 WeakPolarHBondContact O-CB 3.44Å; D993-T996 PolarHBondContact O-N 2.94Å; T996-A999 PolarHBondContact O-N 3.33Å; T996-V1000 WeakPolarHBondContact O-CG2 3.33Å; T996-V1000 PolarHBondContact O-N 3.25Å
997	L	92.4	Very high	90.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-41.3	173	-67.3	-176.8	0	0	0	112.2	M963 L964 V969 F970 D993 H994 V1000 Y1001 E1116	M963-L997 HydrophobicContact CB-CB 4.27Å; M963-L997 HydrophobicContact CB-CD1 4.11Å; M963-L997 HydrophobicContact CE-CB 4.23Å; M963-L997 HydrophobicContact CE-CD2 4.31Å; M963-L997 WeakPolarHBondContact CE-O 3.42Å; L964-L997 HydrophobicContact CD2-CD1 3.96Å; V969-L997 HydrophobicContact CB-CD2 4.37Å; V969-L997 HydrophobicContact CG2-CD2 4.38Å; F970-L997 HydrophobicContact CE2-CD2 4.02Å; D993-L997 PolarHBondContact O-N 3.16Å; H994-L997 PolarHBondContact O-N 2.9Å; L997-V1000 PolarHBondContact O-N 3.08Å; L997-Y1001 PolarHBondContact O-N 3.47Å; L997-E1116 WeakPolarHBondContact CD1-OE2 3.32Å
998	L	92	Very high	90.7	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.089	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-44.8	174.3	-178.8	64.1	0	0	0	111.4	E956 T959 I960 H994 L995 V1000 Y1001 N1002	E956-L998 HydrophobicContact CB-CD1 4.48Å; E956-L998 HydrophobicContact CB-CD2 3.86Å; E956-L998 HydrophobicContact CG-CD2 3.95Å; T959-L998 HydrophobicContact CG2-CD1 3.8Å; I960-L998 HydrophobicContact CD1-CB 4.47Å; I960-L998 HydrophobicContact CD1-CD2 4.42Å; I960-L998 HydrophobicContact CG1-CB 4.1Å; H994-L998 PolarHBondContact O-N 2.8Å; L995-L998 HydrophobicContact CD2-CD2 4.17Å; L995-L998 PolarHBondContact O-N 2.95Å; L998-V1000 PolarHBondContact O-N 3.21Å; L998-Y1001 PolarHBondContact O-N 2.91Å; L998-N1002 WeakPolarHBondContact O-CB 3.5Å; L998-N1002 PolarHBondContact O-N 3.09Å
999	A	92	Very high	90.7	Very high	22 Å²	22	47.1 Å²	47.1	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-40.7	176.5	0	0	0	0	0	112.3	Q989 L995 T996 S1003	Q989-A999 HydrophobicContact CG-CB 4.38Å; L995-A999 WeakPolarHBondContact O-CB 3.43Å; L995-A999 PolarHBondContact O-N 2.93Å; T996-A999 PolarHBondContact O-N 3.33Å; A999-S1003 VanDerWaalsContact O-CB 3.26Å; A999-S1003 WeakPolarHBondContact O-CB 3.34Å; A999-S1003 PolarHBondContact O-N 3.48Å; A999-S1003 PolarHBondContact O-OG 3.43Å
1000	V	92.8	Very high	90.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-45.6	173.8	169.1	0	0	0	0	111.8	M963 V969 F970 F987 T996 L997 L998 W1004 W1013 V1019 L1024	M963-V1000 HydrophobicContact CE-CG1 4.45Å; V969-V1000 HydrophobicContact CG1-CG1 4.08Å; F970-V1000 HydrophobicContact CE1-CG2 3.91Å; F970-V1000 HydrophobicContact CZ-CG2 3.9Å; F987-V1000 HydrophobicContact CB-CG2 3.8Å; F987-V1000 HydrophobicContact CD1-CG2 3.89Å; F987-V1000 HydrophobicContact CD2-CG2 3.96Å; F987-V1000 HydrophobicContact CE1-CG2 4.49Å; F987-V1000 HydrophobicContact CG-CG2 3.6Å; T996-V1000 WeakPolarHBondContact O-CG2 3.33Å; T996-V1000 PolarHBondContact O-N 3.25Å; L997-V1000 PolarHBondContact O-N 3.08Å; L998-V1000 PolarHBondContact O-N 3.21Å; V1000-W1004 WeakPolarHBondContact O-CB 3.47Å; V1000-W1004 PolarHBondContact O-N 2.87Å; V1000-W1013 HydrophobicContact CG1-CH2 4.33Å; V1000-V1019 HydrophobicContact CG1-CG1 4.17Å; V1000-V1019 HydrophobicContact CG1-CG2 4.33Å; V1000-L1024 HydrophobicContact CG1-CD2 4.45Å
1001	Y	92.8	Very high	90.8	Very high	10 Å²	10	47 Å²	47	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-43.4	-179.8	-173	-87.2	0	0	0	112.2	T959 M963 L997 L998 W1004 K1005 L1024 Q1028	T959-Y1001 HydrophobicContact CG2-CD1 3.3Å; T959-Y1001 HydrophobicContact CG2-CD2 4.32Å; T959-Y1001 HydrophobicContact CG2-CE1 3.85Å; T959-Y1001 HydrophobicContact CG2-CG 3.57Å; M963-Y1001 HydrophobicContact CG-CD2 4.41Å; M963-Y1001 HydrophobicContact SD-CD2 3.77Å; M963-Y1001 HydrophobicContact SD-CG 4.4Å; L997-Y1001 PolarHBondContact O-N 3.47Å; L998-Y1001 PolarHBondContact O-N 2.91Å; Y1001-W1004 HydrophobicContact CD2-CE3 4.27Å; Y1001-W1004 HydrophobicContact CE2-CE3 4.16Å; Y1001-W1004 HydrophobicContact CE2-CZ3 4.05Å; Y1001-W1004 PolarHBondContact O-N 2.84Å; Y1001-K1005 WeakPolarHBondContact O-CB 3.28Å; Y1001-K1005 PolarHBondContact O-N 2.78Å; Y1001-L1024 HydrophobicContact CD2-CD2 4.47Å; Y1001-Q1028 HydrophobicContact CE2-CB 4.35Å
1002	N	92	Very high	90.9	Very high	54 Å²	54	46.9 Å²	46.9	29%	0.289	24%	0.235	S	C	.	.	H	α-helix	trans	-64.6	-45.1	176.8	-73.3	-16.4	0	0	0	111.2	L998 W1004 K1005 D1006	L998-N1002 WeakPolarHBondContact O-CB 3.5Å; L998-N1002 PolarHBondContact O-N 3.09Å; N1002-W1004 PolarHBondContact O-N 2.82Å; N1002-K1005 WeakPolarHBondContact O-CB 3.46Å; N1002-K1005 PolarHBondContact O-N 3Å; N1002-K1005 VanDerWaalsContact O-N 3.07Å; N1002-D1006 PolarHBondContact O-N 2.98Å
1003	S	92.1	Very high	90.9	Very high	32 Å²	32	47.8 Å²	47.8	22%	0.224	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-38.7	174.3	-59	0	0	0	0	112.4	A999 H1007	A999-S1003 VanDerWaalsContact O-CB 3.26Å; A999-S1003 WeakPolarHBondContact O-CB 3.34Å; A999-S1003 PolarHBondContact O-N 3.48Å; A999-S1003 PolarHBondContact O-OG 3.43Å; S1003-H1007 PolarHBondContact O-N 2.96Å; S1003-H1007 VanDerWaalsContact O-N 3.09Å; S1003-H1007 PolarHBondContact O-ND1 2.7Å
1004	W	92.8	Very high	90.7	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-37.8	176	-177.1	56.9	0	0	0	113.4	V1000 Y1001 N1002 H1007 F1009 W1013 C1014 I1021 L1024 K1025 Q1028	V1000-W1004 WeakPolarHBondContact O-CB 3.47Å; V1000-W1004 PolarHBondContact O-N 2.87Å; Y1001-W1004 HydrophobicContact CD2-CE3 4.27Å; Y1001-W1004 HydrophobicContact CE2-CE3 4.16Å; Y1001-W1004 HydrophobicContact CE2-CZ3 4.05Å; Y1001-W1004 PolarHBondContact O-N 2.84Å; N1002-W1004 PolarHBondContact O-N 2.82Å; W1004-H1007 CarbonylContact O-C 3.42Å; W1004-H1007 PolarHBondContact O-N 2.71Å; W1004-F1009 HydrophobicContact CD2-CB 4.46Å; W1004-F1009 AromaticContact CD2-CD1 3.71Å; W1004-F1009 HydrophobicContact CD2-CD1 3.71Å; W1004-F1009 AromaticContact CE2-CD1 3.86Å; W1004-F1009 AromaticContact CE3-CD1 3.57Å; W1004-F1009 HydrophobicContact CE3-CD1 3.57Å; W1004-F1009 HydrophobicContact CE3-CE1 4.06Å; W1004-F1009 HydrophobicContact CG-CD1 4.47Å; W1004-F1009 HydrophobicContact CH2-CB 4.26Å; W1004-F1009 AromaticContact CH2-CD1 3.73Å; W1004-F1009 HydrophobicContact CH2-CD1 3.73Å; W1004-F1009 HydrophobicContact CH2-CG 4.32Å; W1004-F1009 HydrophobicContact CZ2-CB 3.68Å; W1004-F1009 AromaticContact CZ2-CD1 3.87Å; W1004-F1009 HydrophobicContact CZ2-CD1 3.87Å; W1004-F1009 HydrophobicContact CZ2-CG 4.2Å; W1004-F1009 AromaticContact CZ3-CD1 3.58Å; W1004-F1009 HydrophobicContact CZ3-CD1 3.58Å; W1004-F1009 HydrophobicContact CZ3-CE1 4.05Å; W1004-F1009 VanDerWaalsContact NE1-C 3.29Å; W1004-F1009 PolarHBondContact NE1-O 3.36Å; W1004-F1009 WeakPolarHBondContact O-CA 3.31Å; W1004-F1009 PolarHBondContact O-N 3.23Å; W1004-W1013 HydrophobicContact CB-CE3 4.06Å; W1004-W1013 HydrophobicContact CB-CH2 4.08Å; W1004-W1013 HydrophobicContact CB-CZ3 3.62Å; W1004-W1013 AromaticContact CD1-CE3 3.7Å; W1004-W1013 AromaticContact CD1-CZ3 3.99Å; W1004-W1013 HydrophobicContact CG-CE3 4.24Å; W1004-W1013 HydrophobicContact CG-CZ3 4.11Å; W1004-C1014 PolarHBondContact NE1-SG 3.48Å; W1004-I1021 HydrophobicContact CZ2-CD1 3.62Å; W1004-L1024 HydrophobicContact CB-CD1 4.27Å; W1004-L1024 HydrophobicContact CD2-CB 4.03Å; W1004-L1024 HydrophobicContact CD2-CD1 3.69Å; W1004-L1024 HydrophobicContact CD2-CG 4.34Å; W1004-L1024 HydrophobicContact CE3-CB 3.82Å; W1004-L1024 HydrophobicContact CE3-CD1 4.15Å; W1004-L1024 HydrophobicContact CE3-CD2 4.25Å; W1004-L1024 HydrophobicContact CE3-CG 4.31Å; W1004-L1024 HydrophobicContact CG-CD1 3.74Å; W1004-L1024 HydrophobicContact CH2-CB 3.81Å; W1004-L1024 HydrophobicContact CZ2-CB 3.99Å; W1004-L1024 HydrophobicContact CZ3-CB 3.72Å; W1004-L1024 WeakPolarHBondContact CZ3-O 3.47Å; W1004-K1025 HydrophobicContact CH2-CG 3.99Å; W1004-K1025 HydrophobicContact CZ2-CG 4.15Å; W1004-Q1028 HydrophobicContact CH2-CB 4.49Å; W1004-Q1028 HydrophobicContact CZ3-CB 4.21Å
1005	K	91.6	Very high	90.3	Very high	82 Å²	82	54.9 Å²	54.9	36%	0.357	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-46.7	172.5	-179.9	-173.1	178.4	-175.6	0	110.5	E955 Y1001 N1002 R1008 F1009	E955-K1005 IonicContact OE1-NZ 3.53Å; E955-K1005 PolarHBondContact OE1-NZ 3.17Å; E955-K1005 VanDerWaalsContact OE1-NZ 3.14Å; Y1001-K1005 WeakPolarHBondContact O-CB 3.28Å; Y1001-K1005 PolarHBondContact O-N 2.78Å; N1002-K1005 WeakPolarHBondContact O-CB 3.46Å; N1002-K1005 PolarHBondContact O-N 3Å; N1002-K1005 VanDerWaalsContact O-N 3.07Å; K1005-R1008 PolarHBondContact O-N 3.26Å; K1005-R1008 VanDerWaalsContact O-N 3.09Å; K1005-F1009 HydrophobicContact CB-CE1 4.02Å; K1005-F1009 HydrophobicContact CB-CZ 4.41Å; K1005-F1009 HydrophobicContact CG-CE1 4.34Å; K1005-F1009 HydrophobicContact CG-CZ 4.24Å
1006	D	92.3	Very high	90.1	Very high	121 Å²	121	59.8 Å²	59.8	65%	0.647	29%	0.288	S	S	*	.	H	α-helix	trans	-66.8	-39.1	-179.8	-61.7	-24.4	0	0	0	112.1	N1002 R1008	N1002-D1006 PolarHBondContact O-N 2.98Å; D1006-R1008 PolarHBondContact O-N 3.43Å
1007	H	92	Very high	89.8	Confident	99 Å²	99	60.5 Å²	60.5	46%	0.458	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	25.5	171.7	-67.5	78.3	0	0	0	113.3	S1003 W1004 F1009 S1010 W1013	S1003-H1007 PolarHBondContact O-N 2.96Å; S1003-H1007 VanDerWaalsContact O-N 3.09Å; S1003-H1007 PolarHBondContact O-ND1 2.7Å; W1004-H1007 CarbonylContact O-C 3.42Å; W1004-H1007 PolarHBondContact O-N 2.71Å; H1007-F1009 PolarHBondContact O-N 3.09Å; H1007-F1009 VanDerWaalsContact O-N 3.13Å; H1007-S1010 WeakPolarHBondContact O-CB 3.33Å; H1007-S1010 PolarHBondContact O-N 2.85Å; H1007-W1013 HydrophobicContact CB-CB 4.21Å; H1007-W1013 HydrophobicContact CB-CD2 4.47Å; H1007-W1013 HydrophobicContact CB-CG 3.92Å; H1007-W1013 AromaticContact CD2-CD1 3.29Å; H1007-W1013 AromaticContact CD2-NE1 3.82Å; H1007-W1013 AromaticContact CE1-CD1 3.8Å; H1007-W1013 AromaticContact CE1-NE1 3.49Å; H1007-W1013 PolarHBondContact CE1-NE1 3.17Å; H1007-W1013 AromaticContact CG-CD1 3.32Å; H1007-W1013 AromaticContact CG-CG 3.88Å; H1007-W1013 AromaticContact CG-NE1 3.61Å; H1007-W1013 AromaticContact ND1-CD1 3.64Å; H1007-W1013 AromaticContact ND1-NE1 3.4Å; H1007-W1013 PolarHBondContact ND1-NE1 3.28Å; H1007-W1013 AromaticContact NE2-CD1 3.59Å; H1007-W1013 AromaticContact NE2-NE1 3.73Å
1008	R	88.7	Confident	89.4	Confident	227 Å²	227	61.7 Å²	61.7	86%	0.857	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	37.4	175.6	-56.6	-172.9	179.8	-157.3	0.1	114	K1005 D1006 S1010	K1005-R1008 PolarHBondContact O-N 3.26Å; K1005-R1008 VanDerWaalsContact O-N 3.09Å; D1006-R1008 PolarHBondContact O-N 3.43Å; R1008-S1010 PolarHBondContact O-N 3.41Å
1009	F	88.4	Confident	89.1	Confident	79 Å²	79	61.3 Å²	61.3	35%	0.346	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	26.4	-178.3	-47	-64.2	0	0	0	114.7	W1004 K1005 H1007 H1011 Q1028	W1004-F1009 HydrophobicContact CD2-CB 4.46Å; W1004-F1009 AromaticContact CD2-CD1 3.71Å; W1004-F1009 HydrophobicContact CD2-CD1 3.71Å; W1004-F1009 AromaticContact CE2-CD1 3.86Å; W1004-F1009 AromaticContact CE3-CD1 3.57Å; W1004-F1009 HydrophobicContact CE3-CD1 3.57Å; W1004-F1009 HydrophobicContact CE3-CE1 4.06Å; W1004-F1009 HydrophobicContact CG-CD1 4.47Å; W1004-F1009 HydrophobicContact CH2-CB 4.26Å; W1004-F1009 AromaticContact CH2-CD1 3.73Å; W1004-F1009 HydrophobicContact CH2-CD1 3.73Å; W1004-F1009 HydrophobicContact CH2-CG 4.32Å; W1004-F1009 HydrophobicContact CZ2-CB 3.68Å; W1004-F1009 AromaticContact CZ2-CD1 3.87Å; W1004-F1009 HydrophobicContact CZ2-CD1 3.87Å; W1004-F1009 HydrophobicContact CZ2-CG 4.2Å; W1004-F1009 AromaticContact CZ3-CD1 3.58Å; W1004-F1009 HydrophobicContact CZ3-CD1 3.58Å; W1004-F1009 HydrophobicContact CZ3-CE1 4.05Å; W1004-F1009 VanDerWaalsContact NE1-C 3.29Å; W1004-F1009 PolarHBondContact NE1-O 3.36Å; W1004-F1009 WeakPolarHBondContact O-CA 3.31Å; W1004-F1009 PolarHBondContact O-N 3.23Å; K1005-F1009 HydrophobicContact CB-CE1 4.02Å; K1005-F1009 HydrophobicContact CB-CZ 4.41Å; K1005-F1009 HydrophobicContact CG-CE1 4.34Å; K1005-F1009 HydrophobicContact CG-CZ 4.24Å; H1007-F1009 PolarHBondContact O-N 3.09Å; H1007-F1009 VanDerWaalsContact O-N 3.13Å; F1009-H1011 PolarHBondContact O-N 3.4Å; F1009-Q1028 VanDerWaalsContact CZ-NE2 3.29Å
1010	S	87.3	Confident	88.7	Confident	48 Å²	48	64 Å²	64	34%	0.336	30%	0.304	S	S	.	.			trans	-56.8	131.9	-175.9	177.6	0	0	0	0	114	H1007 R1008 A1012 C1014	H1007-S1010 WeakPolarHBondContact O-CB 3.33Å; H1007-S1010 PolarHBondContact O-N 2.85Å; R1008-S1010 PolarHBondContact O-N 3.41Å; S1010-A1012 PolarHBondContact OG-N 3.02Å; S1010-C1014 PolarHBondContact O-N 3.15Å; S1010-C1014 PolarHBondContact O-SG 2.93Å
1011	H	86.5	Confident	88.3	Confident	113 Å²	113	66 Å²	66	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-34.6	172.4	-80.3	-119.8	0	0	0	112.7	F1009 C1014 Y1015 K1025	F1009-H1011 PolarHBondContact O-N 3.4Å; H1011-C1014 PolarHBondContact O-N 2.9Å; H1011-Y1015 PolarHBondContact O-N 3.32Å; H1011-K1025 PolarHBondContact NE2-NZ 2.68Å
1012	A	88.3	Confident	87.7	Confident	54 Å²	54	72 Å²	72	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-43.3	-179	0	0	0	0	0	111.2	S1010 C1014 Y1015 E1016	S1010-A1012 PolarHBondContact OG-N 3.02Å; A1012-C1014 VanDerWaalsContact C-N 3.28Å; A1012-C1014 PolarHBondContact O-N 2.87Å; A1012-Y1015 PolarHBondContact O-N 3.32Å; A1012-Y1015 VanDerWaalsContact O-N 3.08Å; A1012-E1016 WeakPolarHBondContact O-CG 3.4Å; A1012-E1016 PolarHBondContact O-N 3.04Å
1013	W	89.4	Confident	87.3	Confident	19 Å²	19	69.9 Å²	69.9	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-38.4	175.7	-178.5	93.4	0	0	0	112.4	F987 V1000 W1004 H1007 N1017 V1019	F987-W1013 HydrophobicContact CE1-CH2 4.24Å; F987-W1013 AromaticContact CE1-CZ2 3.8Å; F987-W1013 HydrophobicContact CE1-CZ2 3.8Å; F987-W1013 HydrophobicContact CZ-CH2 4.04Å; F987-W1013 AromaticContact CZ-CZ2 3.63Å; F987-W1013 HydrophobicContact CZ-CZ2 3.63Å; V1000-W1013 HydrophobicContact CG1-CH2 4.33Å; W1004-W1013 HydrophobicContact CB-CE3 4.06Å; W1004-W1013 HydrophobicContact CB-CH2 4.08Å; W1004-W1013 HydrophobicContact CB-CZ3 3.62Å; W1004-W1013 AromaticContact CD1-CE3 3.7Å; W1004-W1013 AromaticContact CD1-CZ3 3.99Å; W1004-W1013 HydrophobicContact CG-CE3 4.24Å; W1004-W1013 HydrophobicContact CG-CZ3 4.11Å; H1007-W1013 HydrophobicContact CB-CB 4.21Å; H1007-W1013 HydrophobicContact CB-CD2 4.47Å; H1007-W1013 HydrophobicContact CB-CG 3.92Å; H1007-W1013 AromaticContact CD2-CD1 3.29Å; H1007-W1013 AromaticContact CD2-NE1 3.82Å; H1007-W1013 AromaticContact CE1-CD1 3.8Å; H1007-W1013 AromaticContact CE1-NE1 3.49Å; H1007-W1013 PolarHBondContact CE1-NE1 3.17Å; H1007-W1013 AromaticContact CG-CD1 3.32Å; H1007-W1013 AromaticContact CG-CG 3.88Å; H1007-W1013 AromaticContact CG-NE1 3.61Å; H1007-W1013 AromaticContact ND1-CD1 3.64Å; H1007-W1013 AromaticContact ND1-NE1 3.4Å; H1007-W1013 PolarHBondContact ND1-NE1 3.28Å; H1007-W1013 AromaticContact NE2-CD1 3.59Å; H1007-W1013 AromaticContact NE2-NE1 3.73Å; W1013-N1017 VanDerWaalsContact CE2-ND2 3.25Å; W1013-N1017 PolarHBondContact NE1-ND2 3.08Å; W1013-N1017 WeakPolarHBondContact O-CB 3.18Å; W1013-N1017 PolarHBondContact O-N 2.74Å; W1013-N1017 PolarHBondContact O-ND2 3.01Å; W1013-V1019 HydrophobicContact CZ3-CG2 4.43Å
1014	C	86	Confident	87.2	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-44.4	174	-68.4	0	0	0	0	112	W1004 S1010 H1011 A1012 N1017 F1018 V1019 I1021	W1004-C1014 PolarHBondContact NE1-SG 3.48Å; S1010-C1014 PolarHBondContact O-N 3.15Å; S1010-C1014 PolarHBondContact O-SG 2.93Å; H1011-C1014 PolarHBondContact O-N 2.9Å; A1012-C1014 VanDerWaalsContact C-N 3.28Å; A1012-C1014 PolarHBondContact O-N 2.87Å; C1014-N1017 PolarHBondContact O-N 2.81Å; C1014-F1018 PolarHBondContact O-N 3Å; C1014-F1018 VanDerWaalsContact O-N 3.14Å; C1014-V1019 WeakPolarHBondContact CB-O 3.39Å; C1014-V1019 PolarHBondContact O-N 3.35Å; C1014-I1021 HydrophobicContact CB-CB 4.13Å; C1014-I1021 HydrophobicContact CB-CD1 4.49Å
1015	Y	83.5	Confident	86.9	Confident	153 Å²	153	72.4 Å²	72.4	60%	0.6	33%	0.333	S	S	*	.	H	α-helix	trans	-64.7	-46.8	179	-172	-97.2	0	0	0	111.8	H1011 A1012 N1017 F1018	H1011-Y1015 PolarHBondContact O-N 3.32Å; A1012-Y1015 PolarHBondContact O-N 3.32Å; A1012-Y1015 VanDerWaalsContact O-N 3.08Å; Y1015-N1017 VanDerWaalsContact C-N 3.26Å; Y1015-N1017 PolarHBondContact O-N 2.76Å; Y1015-F1018 PolarHBondContact O-N 2.86Å
1016	E	86.4	Confident	86.6	Confident	115 Å²	115	73.1 Å²	73.1	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-30.3	179.7	-74.2	177.2	-153.1	0	0	113.7	K983 A1012	K983-E1016 PolarHBondContact NZ-O 3.49Å; A1012-E1016 WeakPolarHBondContact O-CG 3.4Å; A1012-E1016 PolarHBondContact O-N 3.04Å
1017	N	86.6	Confident	86.5	Confident	17 Å²	17	67.3 Å²	67.3	9%	0.091	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	11.1	-177.9	-60.6	-50.7	0	0	0	113.2	K983 F987 W1013 C1014 Y1015 V1019	K983-N1017 PolarHBondContact NZ-OD1 2.97Å; F987-N1017 HydrophobicContact CE2-CB 4.2Å; F987-N1017 HydrophobicContact CZ-CB 4.32Å; W1013-N1017 VanDerWaalsContact CE2-ND2 3.25Å; W1013-N1017 PolarHBondContact NE1-ND2 3.08Å; W1013-N1017 WeakPolarHBondContact O-CB 3.18Å; W1013-N1017 PolarHBondContact O-N 2.74Å; W1013-N1017 PolarHBondContact O-ND2 3.01Å; C1014-N1017 PolarHBondContact O-N 2.81Å; Y1015-N1017 VanDerWaalsContact C-N 3.26Å; Y1015-N1017 PolarHBondContact O-N 2.76Å; N1017-V1019 VanDerWaalsContact C-N 3.3Å; N1017-V1019 HydrophobicContact CB-CG2 4.16Å; N1017-V1019 WeakPolarHBondContact O-CG2 3.44Å; N1017-V1019 PolarHBondContact O-N 2.76Å
1018	F	84.7	Confident	86.4	Confident	30 Å²	30	64.3 Å²	64.3	13%	0.132	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	40.7	-179.8	-57.3	-93.3	0	0	0	114	Y971 P973 K976 L979 A980 K983 C1014 Y1015	Y971-F1018 PolarHBondContact N-O 3.19Å; Y971-F1018 WeakPolarHBondContact O-CB 3.36Å; P973-F1018 HydrophobicContact CG-CD1 3.78Å; P973-F1018 HydrophobicContact CG-CE1 3.77Å; K976-F1018 HydrophobicContact CB-CE1 4.12Å; K976-F1018 HydrophobicContact CB-CZ 4.08Å; K976-F1018 HydrophobicContact CD-CE1 4.43Å; K976-F1018 HydrophobicContact CD-CZ 4.2Å; L979-F1018 HydrophobicContact CB-CE2 4.46Å; L979-F1018 HydrophobicContact CD2-CE2 4.12Å; L979-F1018 HydrophobicContact CD2-CZ 4.06Å; L979-F1018 HydrophobicContact CG-CE2 3.97Å; L979-F1018 HydrophobicContact CG-CZ 4.3Å; A980-F1018 HydrophobicContact CB-CB 4.13Å; A980-F1018 HydrophobicContact CB-CD1 4.21Å; A980-F1018 HydrophobicContact CB-CD2 3.91Å; A980-F1018 HydrophobicContact CB-CE2 4.38Å; A980-F1018 HydrophobicContact CB-CG 3.82Å; K983-F1018 HydrophobicContact CB-CD2 4.38Å; K983-F1018 HydrophobicContact CG-CD2 4.26Å; K983-F1018 HydrophobicContact CG-CE2 4.35Å; C1014-F1018 PolarHBondContact O-N 3Å; C1014-F1018 VanDerWaalsContact O-N 3.14Å; Y1015-F1018 PolarHBondContact O-N 2.86Å
1019	V	84.7	Confident	86.4	Confident	9 Å²	9	56.7 Å²	56.7	6%	0.055	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-107.3	137.2	179.4	-172.3	0	0	0	0	111	V969 V1000 W1013 C1014 N1017 I1021 L1024	V969-V1019 HydrophobicContact CG1-CG1 3.49Å; V969-V1019 VanDerWaalsContact CG1-CG1 3.49Å; V1000-V1019 HydrophobicContact CG1-CG1 4.17Å; V1000-V1019 HydrophobicContact CG1-CG2 4.33Å; W1013-V1019 HydrophobicContact CZ3-CG2 4.43Å; C1014-V1019 WeakPolarHBondContact CB-O 3.39Å; C1014-V1019 PolarHBondContact O-N 3.35Å; N1017-V1019 VanDerWaalsContact C-N 3.3Å; N1017-V1019 HydrophobicContact CB-CG2 4.16Å; N1017-V1019 WeakPolarHBondContact O-CG2 3.44Å; N1017-V1019 PolarHBondContact O-N 2.76Å; V1019-I1021 PolarHBondContact O-N 3Å; V1019-L1024 HydrophobicContact CB-CD1 4.35Å; V1019-L1024 HydrophobicContact CG1-CD1 3.4Å; V1019-L1024 VanDerWaalsContact CG1-CD1 3.4Å; V1019-L1024 HydrophobicContact CG1-CD2 4.33Å; V1019-L1024 HydrophobicContact CG1-CG 3.83Å
1020	Q	83.2	Confident	86.5	Confident	78 Å²	78	52.9 Å²	52.9	36%	0.364	25%	0.248	S	C	.	.			trans	-78.6	102.6	-176.5	-62.1	-169.2	49.5	0	0	112.1	N968 V969 F970 R1022 T1023 L1024	N968-Q1020 PolarHBondContact O-NE2 3.33Å; N968-Q1020 VanDerWaalsContact O-NE2 3.13Å; V969-Q1020 PolarHBondContact O-N 2.83Å; F970-Q1020 PolarHBondContact O-NE2 2.98Å; Q1020-R1022 PolarHBondContact O-N 2.61Å; Q1020-T1023 WeakPolarHBondContact CB-OG1 3.48Å; Q1020-T1023 WeakPolarHBondContact O-CB 3.47Å; Q1020-T1023 PolarHBondContact O-N 3.05Å; Q1020-L1024 PolarHBondContact O-N 3.35Å
1021	I	85.1	Confident	86.7	Confident	42 Å²	42	52.2 Å²	52.2	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-54.9	-34.6	179.3	-175.2	65.2	0	0	0	113.7	W1004 C1014 V1019 K1025	W1004-I1021 HydrophobicContact CZ2-CD1 3.62Å; C1014-I1021 HydrophobicContact CB-CB 4.13Å; C1014-I1021 HydrophobicContact CB-CD1 4.49Å; V1019-I1021 PolarHBondContact O-N 3Å; I1021-K1025 HydrophobicContact CD1-CG 4.47Å; I1021-K1025 HydrophobicContact CG1-CD 4.45Å; I1021-K1025 WeakPolarHBondContact O-CG 3.46Å; I1021-K1025 PolarHBondContact O-N 3.06Å
1022	R	79.8	Confident	86.9	Confident	138 Å²	138	52 Å²	52	52%	0.521	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-41.8	177	-169.3	-176.6	-170.4	-173	7.2	111.3	L768 S770 Q1020 R1026	L768-R1022 PolarHBondContact O-NH1 3.3Å; S770-R1022 PolarHBondContact OG-NH2 3.41Å; Q1020-R1022 PolarHBondContact O-N 2.61Å; R1022-R1026 PolarHBondContact O-N 3.42Å; R1022-R1026 VanDerWaalsContact O-N 3.07Å
1023	T	85.1	Confident	86.8	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-47	177.7	-52.2	0	0	0	0	110.9	V966 Q967 V969 Q1020 R1026 A1027	V966-T1023 HydrophobicContact CB-CG2 3.8Å; V966-T1023 HydrophobicContact CG1-CG2 3.55Å; Q967-T1023 WeakPolarHBondContact O-CG2 3.39Å; V969-T1023 HydrophobicContact CG2-CG2 3.83Å; Q1020-T1023 WeakPolarHBondContact CB-OG1 3.48Å; Q1020-T1023 WeakPolarHBondContact O-CB 3.47Å; Q1020-T1023 PolarHBondContact O-N 3.05Å; T1023-R1026 PolarHBondContact O-N 3.23Å; T1023-A1027 PolarHBondContact O-N 2.81Å
1024	L	88.5	Confident	86.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-41	177.2	-74.9	176.6	0	0	0	113.3	M963 V969 V1000 Y1001 W1004 V1019 Q1020 A1027 Q1028	M963-L1024 HydrophobicContact CE-CD2 3.82Å; M963-L1024 HydrophobicContact SD-CD2 3.96Å; V969-L1024 HydrophobicContact CG1-CD2 4.12Å; V1000-L1024 HydrophobicContact CG1-CD2 4.45Å; Y1001-L1024 HydrophobicContact CD2-CD2 4.47Å; W1004-L1024 HydrophobicContact CB-CD1 4.27Å; W1004-L1024 HydrophobicContact CD2-CB 4.03Å; W1004-L1024 HydrophobicContact CD2-CD1 3.69Å; W1004-L1024 HydrophobicContact CD2-CG 4.34Å; W1004-L1024 HydrophobicContact CE3-CB 3.82Å; W1004-L1024 HydrophobicContact CE3-CD1 4.15Å; W1004-L1024 HydrophobicContact CE3-CD2 4.25Å; W1004-L1024 HydrophobicContact CE3-CG 4.31Å; W1004-L1024 HydrophobicContact CG-CD1 3.74Å; W1004-L1024 HydrophobicContact CH2-CB 3.81Å; W1004-L1024 HydrophobicContact CZ2-CB 3.99Å; W1004-L1024 HydrophobicContact CZ3-CB 3.72Å; W1004-L1024 WeakPolarHBondContact CZ3-O 3.47Å; V1019-L1024 HydrophobicContact CB-CD1 4.35Å; V1019-L1024 HydrophobicContact CG1-CD1 3.4Å; V1019-L1024 VanDerWaalsContact CG1-CD1 3.4Å; V1019-L1024 HydrophobicContact CG1-CD2 4.33Å; V1019-L1024 HydrophobicContact CG1-CG 3.83Å; Q1020-L1024 PolarHBondContact O-N 3.35Å; L1024-A1027 PolarHBondContact O-N 3.4Å; L1024-Q1028 PolarHBondContact O-N 3.46Å
1025	K	87.8	Confident	87.1	Confident	86 Å²	86	54 Å²	54	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-45.9	172.9	-75	-177.2	-179.7	-175.1	0	111.4	W1004 H1011 I1021 A1027 Q1028 D1029	W1004-K1025 HydrophobicContact CH2-CG 3.99Å; W1004-K1025 HydrophobicContact CZ2-CG 4.15Å; H1011-K1025 PolarHBondContact NE2-NZ 2.68Å; I1021-K1025 HydrophobicContact CD1-CG 4.47Å; I1021-K1025 HydrophobicContact CG1-CD 4.45Å; I1021-K1025 WeakPolarHBondContact O-CG 3.46Å; I1021-K1025 PolarHBondContact O-N 3.06Å; K1025-A1027 VanDerWaalsContact C-N 3.33Å; K1025-A1027 PolarHBondContact O-N 3.49Å; K1025-Q1028 WeakPolarHBondContact O-CA 3.37Å; K1025-Q1028 WeakPolarHBondContact O-CB 3.46Å; K1025-Q1028 PolarHBondContact O-N 2.67Å; K1025-Q1028 VanDerWaalsContact O-N 3.09Å; K1025-D1029 PolarHBondContact O-N 2.79Å; K1025-D1029 VanDerWaalsContact O-OD2 3.14Å
1026	R	84.4	Confident	87.3	Confident	96 Å²	96	48.2 Å²	48.2	36%	0.362	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-39.4	174.5	179.1	169.2	164.4	-170.3	-8.8	112.6	V966 R1022 T1023 D1029 I1030	V966-R1026 HydrophobicContact CG1-CB 4.23Å; V966-R1026 HydrophobicContact CG1-CG 3.99Å; V966-R1026 HydrophobicContact CG2-CG 4.42Å; R1022-R1026 PolarHBondContact O-N 3.42Å; R1022-R1026 VanDerWaalsContact O-N 3.07Å; T1023-R1026 PolarHBondContact O-N 3.23Å; R1026-D1029 PolarHBondContact O-N 3.12Å; R1026-I1030 HydrophobicContact CG-CD1 3.99Å; R1026-I1030 WeakPolarHBondContact O-CD1 3.33Å; R1026-I1030 VanDerWaalsContact O-CG1 3.23Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.37Å; R1026-I1030 PolarHBondContact O-N 3Å
1027	A	90.5	Very high	87.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-41.9	173.1	0	0	0	0	0	111.7	S962 M963 V966 T1023 L1024 K1025 D1029 I1030 R1031	S962-A1027 WeakPolarHBondContact CB-O 3.31Å; M963-A1027 HydrophobicContact CG-CB 4.41Å; M963-A1027 HydrophobicContact SD-CB 3.62Å; V966-A1027 HydrophobicContact CG2-CB 3.87Å; T1023-A1027 PolarHBondContact O-N 2.81Å; L1024-A1027 PolarHBondContact O-N 3.4Å; K1025-A1027 VanDerWaalsContact C-N 3.33Å; K1025-A1027 PolarHBondContact O-N 3.49Å; A1027-D1029 VanDerWaalsContact C-N 3.33Å; A1027-D1029 PolarHBondContact O-N 3.1Å; A1027-I1030 PolarHBondContact O-N 2.67Å; A1027-R1031 WeakPolarHBondContact O-CB 3.5Å; A1027-R1031 PolarHBondContact O-N 3.1Å
1028	Q	90.8	Very high	87.4	Confident	36 Å²	36	42.1 Å²	42.1	17%	0.168	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-40.7	174	-174.2	-170.1	90.3	0	0	111.9	Y1001 W1004 F1009 L1024 K1025 R1031 K1032	Y1001-Q1028 HydrophobicContact CE2-CB 4.35Å; W1004-Q1028 HydrophobicContact CH2-CB 4.49Å; W1004-Q1028 HydrophobicContact CZ3-CB 4.21Å; F1009-Q1028 VanDerWaalsContact CZ-NE2 3.29Å; L1024-Q1028 PolarHBondContact O-N 3.46Å; K1025-Q1028 WeakPolarHBondContact O-CA 3.37Å; K1025-Q1028 WeakPolarHBondContact O-CB 3.46Å; K1025-Q1028 PolarHBondContact O-N 2.67Å; K1025-Q1028 VanDerWaalsContact O-N 3.09Å; Q1028-R1031 WeakPolarHBondContact O-CB 3.48Å; Q1028-R1031 PolarHBondContact O-N 3.13Å; Q1028-K1032 WeakPolarHBondContact O-CG 3.44Å; Q1028-K1032 PolarHBondContact O-N 3.21Å
1029	D	88	Confident	87.6	Confident	66 Å²	66	45.1 Å²	45.1	35%	0.353	21%	0.214	S	C	.	.	H	α-helix	trans	-73.4	-35.9	-179.4	-62	-36.2	0	0	0	112.5	K1025 R1026 A1027 R1031 K1032 Q1033	K1025-D1029 PolarHBondContact O-N 2.79Å; K1025-D1029 VanDerWaalsContact O-OD2 3.14Å; R1026-D1029 PolarHBondContact O-N 3.12Å; A1027-D1029 VanDerWaalsContact C-N 3.33Å; A1027-D1029 PolarHBondContact O-N 3.1Å; D1029-R1031 VanDerWaalsContact C-N 3.34Å; D1029-K1032 PolarHBondContact O-N 3.15Å; D1029-K1032 IonicContact OD1-NZ 3.32Å; D1029-K1032 PolarHBondContact OD1-NZ 3.14Å; D1029-Q1033 PolarHBondContact O-N 3.36Å
1030	I	89.5	Confident	87.6	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-47.5	167	-67	163	0	0	0	110	F600 V966 R1026 A1027 K1032 Q1033 L1034	F600-I1030 HydrophobicContact CD1-CG1 3.66Å; F600-I1030 HydrophobicContact CD2-CD1 4.5Å; F600-I1030 HydrophobicContact CD2-CG1 4.11Å; F600-I1030 HydrophobicContact CE1-CB 4.39Å; F600-I1030 HydrophobicContact CE1-CD1 4.4Å; F600-I1030 HydrophobicContact CE1-CG1 3.56Å; F600-I1030 HydrophobicContact CE1-CG2 4.38Å; F600-I1030 HydrophobicContact CE2-CD1 4.1Å; F600-I1030 HydrophobicContact CE2-CG1 3.99Å; F600-I1030 HydrophobicContact CG-CG1 3.96Å; F600-I1030 HydrophobicContact CZ-CD1 4.04Å; F600-I1030 HydrophobicContact CZ-CG1 3.71Å; V966-I1030 HydrophobicContact CG2-CD1 3.68Å; R1026-I1030 HydrophobicContact CG-CD1 3.99Å; R1026-I1030 WeakPolarHBondContact O-CD1 3.33Å; R1026-I1030 VanDerWaalsContact O-CG1 3.23Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.37Å; R1026-I1030 PolarHBondContact O-N 3Å; A1027-I1030 PolarHBondContact O-N 2.67Å; I1030-K1032 VanDerWaalsContact C-N 3.34Å; I1030-K1032 PolarHBondContact O-N 3.48Å; I1030-Q1033 PolarHBondContact O-N 3.03Å; I1030-Q1033 VanDerWaalsContact O-N 3.12Å; I1030-L1034 HydrophobicContact CG2-CD1 3.72Å; I1030-L1034 HydrophobicContact CG2-CG 4.14Å; I1030-L1034 WeakPolarHBondContact O-CB 3.44Å; I1030-L1034 WeakPolarHBondContact O-CG 3.11Å; I1030-L1034 PolarHBondContact O-N 3.32Å
1031	R	92.1	Very high	87.6	Confident	33 Å²	33	50.2 Å²	50.2	13%	0.125	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-41.7	179.6	-161.2	-168.3	-175.8	-93	16.2	112.3	E955 L958 T959 S962 A1027 Q1028 D1029 L1035	E955-R1031 IonicContact OE1-CZ 2.71Å; E955-R1031 IonicContact OE1-NH2 2.62Å; E955-R1031 PolarHBondContact OE1-NH2 3.5Å; L958-R1031 HydrophobicContact CD1-CG 4.47Å; L958-R1031 HydrophobicContact CD2-CG 4.19Å; L958-R1031 HydrophobicContact CG-CG 3.9Å; T959-R1031 PolarHBondContact OG1-NE 2.9Å; T959-R1031 PolarHBondContact OG1-NH2 2.9Å; T959-R1031 VanDerWaalsContact OG1-NH2 3.17Å; S962-R1031 WeakPolarHBondContact OG-CA 3.39Å; S962-R1031 WeakPolarHBondContact OG-CB 3.26Å; S962-R1031 PolarHBondContact OG-N 2.9Å; A1027-R1031 WeakPolarHBondContact O-CB 3.5Å; A1027-R1031 PolarHBondContact O-N 3.1Å; Q1028-R1031 WeakPolarHBondContact O-CB 3.48Å; Q1028-R1031 PolarHBondContact O-N 3.13Å; D1029-R1031 VanDerWaalsContact C-N 3.34Å; R1031-L1035 VanDerWaalsContact O-CB 3.26Å; R1031-L1035 WeakPolarHBondContact O-CB 3.48Å; R1031-L1035 PolarHBondContact O-N 2.87Å
1032	K	91.2	Very high	87.5	Confident	109 Å²	109	56.9 Å²	56.9	47%	0.474	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-45.8	173	-69.7	167.2	-166.9	150	0	111.5	Q1028 D1029 I1030 G1036	Q1028-K1032 WeakPolarHBondContact O-CG 3.44Å; Q1028-K1032 PolarHBondContact O-N 3.21Å; D1029-K1032 PolarHBondContact O-N 3.15Å; D1029-K1032 IonicContact OD1-NZ 3.32Å; D1029-K1032 PolarHBondContact OD1-NZ 3.14Å; I1030-K1032 VanDerWaalsContact C-N 3.34Å; I1030-K1032 PolarHBondContact O-N 3.48Å; K1032-G1036 PolarHBondContact O-N 3Å
1033	Q	85.9	Confident	87.7	Confident	60 Å²	60	50.5 Å²	50.5	28%	0.28	23%	0.234	S	C	.	.	H	α-helix	trans	-67.5	-41.6	-179.3	-170	176.9	32.6	0	0	111.9	F600 D1029 I1030 G1036 I1037	F600-Q1033 VanDerWaalsContact CD1-OE1 3.24Å; D1029-Q1033 PolarHBondContact O-N 3.36Å; I1030-Q1033 PolarHBondContact O-N 3.03Å; I1030-Q1033 VanDerWaalsContact O-N 3.12Å; Q1033-G1036 PolarHBondContact O-N 3.04Å; Q1033-I1037 HydrophobicContact CG-CD1 4.26Å; Q1033-I1037 WeakPolarHBondContact O-CD1 3.43Å; Q1033-I1037 VanDerWaalsContact O-CG1 3.29Å; Q1033-I1037 WeakPolarHBondContact O-CG1 3.29Å; Q1033-I1037 PolarHBondContact O-N 3.21Å
1034	L	90.2	Very high	87.6	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-41.4	177.2	-70.6	177.6	0	0	0	111.7	F935 L937 L958 V961 I1030 I1037 M1038	F935-L1034 HydrophobicContact CD1-CD2 3.98Å; L937-L1034 HydrophobicContact CD1-CD1 4.1Å; L937-L1034 HydrophobicContact CD1-CD2 3.72Å; L937-L1034 HydrophobicContact CD2-CD1 4.32Å; L937-L1034 HydrophobicContact CD2-CD2 4.34Å; L937-L1034 HydrophobicContact CG-CD2 3.98Å; L958-L1034 HydrophobicContact CD1-CB 3.4Å; L958-L1034 HydrophobicContact CD1-CD1 4.1Å; L958-L1034 HydrophobicContact CD1-CG 4.42Å; V961-L1034 HydrophobicContact CG1-CD1 3.92Å; I1030-L1034 HydrophobicContact CG2-CD1 3.72Å; I1030-L1034 HydrophobicContact CG2-CG 4.14Å; I1030-L1034 WeakPolarHBondContact O-CB 3.44Å; I1030-L1034 WeakPolarHBondContact O-CG 3.11Å; I1030-L1034 PolarHBondContact O-N 3.32Å; L1034-I1037 HydrophobicContact CD2-CD1 4.32Å; L1034-I1037 WeakPolarHBondContact O-CA 3.46Å; L1034-I1037 WeakPolarHBondContact O-CB 3.4Å; L1034-I1037 PolarHBondContact O-N 3.46Å; L1034-M1038 WeakPolarHBondContact O-CG 3.45Å; L1034-M1038 PolarHBondContact O-N 3.45Å
1035	L	91.6	Very high	87.4	Confident	53 Å²	53	56.8 Å²	56.8	28%	0.277	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-52.4	171.2	-174.1	71.3	0	0	0	111	L958 R1031 I1037 M1038 D1039 M1045	L958-L1035 HydrophobicContact CD2-CB 4.19Å; L958-L1035 HydrophobicContact CD2-CD1 3.96Å; R1031-L1035 VanDerWaalsContact O-CB 3.26Å; R1031-L1035 WeakPolarHBondContact O-CB 3.48Å; R1031-L1035 PolarHBondContact O-N 2.87Å; L1035-I1037 PolarHBondContact O-N 2.6Å; L1035-M1038 WeakPolarHBondContact O-CA 3.38Å; L1035-M1038 WeakPolarHBondContact O-CB 3.34Å; L1035-M1038 PolarHBondContact O-N 2.86Å; L1035-D1039 VanDerWaalsContact O-CG 3.29Å; L1035-D1039 PolarHBondContact O-N 3.23Å; L1035-M1045 HydrophobicContact CD1-CE 4.17Å; L1035-M1045 HydrophobicContact CD1-CG 3.72Å; L1035-M1045 HydrophobicContact CD1-SD 3.78Å
1036	G	88.2	Confident	87.3	Confident	32 Å²	32	57.1 Å²	57.1	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-9.1	176.3	0	0	0	0	0	115	K1032 Q1033 R1040	K1032-G1036 PolarHBondContact O-N 3Å; Q1033-G1036 PolarHBondContact O-N 3.04Å; G1036-R1040 WeakPolarHBondContact O-CD 3.12Å; G1036-R1040 VanDerWaalsContact O-CG 3.28Å; G1036-R1040 WeakPolarHBondContact O-CG 3.48Å; G1036-R1040 PolarHBondContact O-NE 3Å
1037	I	86.8	Confident	87.4	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-86.2	-51.4	165.2	-65.7	158.2	0	0	0	109	F935 P936 Q1033 L1034 L1035 D1039 R1040 H1041	F935-I1037 HydrophobicContact CD1-CB 4.21Å; F935-I1037 HydrophobicContact CD1-CD1 4.49Å; F935-I1037 HydrophobicContact CD1-CG2 3.57Å; F935-I1037 HydrophobicContact CE1-CB 3.96Å; F935-I1037 HydrophobicContact CE1-CG2 3.39Å; F935-I1037 HydrophobicContact CG-CG2 4.33Å; F935-I1037 HydrophobicContact CZ-CG2 4.01Å; P936-I1037 HydrophobicContact CG-CD1 4.12Å; Q1033-I1037 HydrophobicContact CG-CD1 4.26Å; Q1033-I1037 WeakPolarHBondContact O-CD1 3.43Å; Q1033-I1037 VanDerWaalsContact O-CG1 3.29Å; Q1033-I1037 WeakPolarHBondContact O-CG1 3.29Å; Q1033-I1037 PolarHBondContact O-N 3.21Å; L1034-I1037 HydrophobicContact CD2-CD1 4.32Å; L1034-I1037 WeakPolarHBondContact O-CA 3.46Å; L1034-I1037 WeakPolarHBondContact O-CB 3.4Å; L1034-I1037 PolarHBondContact O-N 3.46Å; L1035-I1037 PolarHBondContact O-N 2.6Å; I1037-D1039 VanDerWaalsContact C-N 3.31Å; I1037-D1039 PolarHBondContact O-N 2.9Å; I1037-R1040 PolarHBondContact O-N 2.91Å; I1037-H1041 PolarHBondContact O-CD2 3.33Å; I1037-H1041 PolarHBondContact O-N 3.38Å
1038	M	87.7	Confident	86.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-53.3	-44.4	178.1	-68.1	177.7	73.2	0	0	112.9	F935 L945 V949 L958 L1034 L1035 R1040 H1041 K1042 L1043 M1045	F935-M1038 HydrophobicContact CE1-CG 3.93Å; F935-M1038 HydrophobicContact CZ-CG 4.03Å; L945-M1038 HydrophobicContact CD1-CE 4.32Å; L945-M1038 HydrophobicContact CD1-SD 3.87Å; L945-M1038 HydrophobicContact CD2-CG 4.47Å; L945-M1038 HydrophobicContact CD2-SD 4.11Å; L945-M1038 HydrophobicContact CG-SD 4.1Å; V949-M1038 HydrophobicContact CG2-CE 3.65Å; L958-M1038 HydrophobicContact CD1-SD 3.98Å; L958-M1038 HydrophobicContact CD2-SD 4.26Å; L1034-M1038 WeakPolarHBondContact O-CG 3.45Å; L1034-M1038 PolarHBondContact O-N 3.45Å; L1035-M1038 WeakPolarHBondContact O-CA 3.38Å; L1035-M1038 WeakPolarHBondContact O-CB 3.34Å; L1035-M1038 PolarHBondContact O-N 2.86Å; M1038-R1040 VanDerWaalsContact C-N 3.34Å; M1038-R1040 PolarHBondContact O-N 3.01Å; M1038-H1041 CarbonylContact O-C 3.57Å; M1038-H1041 PolarHBondContact O-N 3.31Å; M1038-H1041 VanDerWaalsContact O-N 3.15Å; M1038-K1042 PolarHBondContact O-N 2.84Å; M1038-L1043 HydrophobicContact CB-CB 4.13Å; M1038-L1043 HydrophobicContact CB-CD1 4.42Å; M1038-L1043 HydrophobicContact CE-CB 4.23Å; M1038-L1043 HydrophobicContact CG-CD1 4.17Å; M1038-L1043 PolarHBondContact O-N 2.86Å; M1038-M1045 HydrophobicContact CE-SD 3.46Å; M1038-M1045 WeakPolarHBondContact CE-SD 3.35Å; M1038-M1045 HydrophobicContact SD-SD 3.9Å
1039	D	88.1	Confident	86.3	Confident	94 Å²	94	58 Å²	58	50%	0.503	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-44.2	176.5	-65.9	-30.8	0	0	0	112	L1035 I1037 H1041 K1042	L1035-D1039 VanDerWaalsContact O-CG 3.29Å; L1035-D1039 PolarHBondContact O-N 3.23Å; I1037-D1039 VanDerWaalsContact C-N 3.31Å; I1037-D1039 PolarHBondContact O-N 2.9Å; D1039-H1041 VanDerWaalsContact C-N 3.3Å; D1039-H1041 PolarHBondContact O-N 3.21Å; D1039-K1042 PolarHBondContact O-N 3.32Å; D1039-K1042 VanDerWaalsContact O-N 3.14Å
1040	R	85.8	Confident	85.8	Confident	152 Å²	152	64.7 Å²	64.7	57%	0.574	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.8	179.4	-66.1	179.5	-50.5	139.2	27.9	112.4	G1036 I1037 M1038 K1042	G1036-R1040 WeakPolarHBondContact O-CD 3.12Å; G1036-R1040 VanDerWaalsContact O-CG 3.28Å; G1036-R1040 WeakPolarHBondContact O-CG 3.48Å; G1036-R1040 PolarHBondContact O-NE 3Å; I1037-R1040 PolarHBondContact O-N 2.91Å; M1038-R1040 VanDerWaalsContact C-N 3.34Å; M1038-R1040 PolarHBondContact O-N 3.01Å; R1040-K1042 VanDerWaalsContact C-N 3.34Å
1041	H	82.7	Confident	85.6	Confident	41 Å²	41	67.3 Å²	67.3	19%	0.19	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	7.2	175.7	-57.4	-68	0	0	0	113.4	E934 I1037 M1038 D1039 L1043	E934-H1041 IonicContact OE1-CE1 2.68Å; E934-H1041 PolarHBondContact OE1-CE1 3.03Å; E934-H1041 IonicContact OE1-ND1 2.94Å; E934-H1041 IonicContact OE2-CE1 3.89Å; E934-H1041 PolarHBondContact OE2-CE1 3.38Å; E934-H1041 VanDerWaalsContact OE2-CE1 3.27Å; E934-H1041 IonicContact OE2-ND1 2.73Å; E934-H1041 PolarHBondContact OE2-ND1 3.2Å; E934-H1041 IonicContact OE2-NE2 2.88Å; I1037-H1041 PolarHBondContact O-CD2 3.33Å; I1037-H1041 PolarHBondContact O-N 3.38Å; M1038-H1041 CarbonylContact O-C 3.57Å; M1038-H1041 PolarHBondContact O-N 3.31Å; M1038-H1041 VanDerWaalsContact O-N 3.15Å; D1039-H1041 VanDerWaalsContact C-N 3.3Å; D1039-H1041 PolarHBondContact O-N 3.21Å; H1041-L1043 VanDerWaalsContact C-N 3.33Å; H1041-L1043 HydrophobicContact CB-CG 4.34Å; H1041-L1043 PolarHBondContact O-N 3.28Å
1042	K	83.6	Confident	85.3	Confident	182 Å²	182	67.9 Å²	67.9	79%	0.791	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	42.4	178.6	-55.3	179.6	-179.2	178.8	0	113.4	M1038 D1039 R1040	M1038-K1042 PolarHBondContact O-N 2.84Å; D1039-K1042 PolarHBondContact O-N 3.32Å; D1039-K1042 VanDerWaalsContact O-N 3.14Å; R1040-K1042 VanDerWaalsContact C-N 3.34Å
1043	L	83.5	Confident	85.2	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.026	35%	0.347	C	S	.	.			trans	-87.8	112.9	173.6	-62.9	178.1	0	0	0	108.9	F935 V949 M1038 H1041 M1045	F935-L1043 HydrophobicContact CE2-CD1 4.5Å; F935-L1043 HydrophobicContact CZ-CD1 3.99Å; V949-L1043 HydrophobicContact CG1-CB 4.26Å; V949-L1043 HydrophobicContact CG1-CD2 4.33Å; V949-L1043 HydrophobicContact CG2-CB 4.02Å; V949-L1043 HydrophobicContact CG2-CD1 4.46Å; M1038-L1043 HydrophobicContact CB-CB 4.13Å; M1038-L1043 HydrophobicContact CB-CD1 4.42Å; M1038-L1043 HydrophobicContact CE-CB 4.23Å; M1038-L1043 HydrophobicContact CG-CD1 4.17Å; M1038-L1043 PolarHBondContact O-N 2.86Å; H1041-L1043 VanDerWaalsContact C-N 3.33Å; H1041-L1043 HydrophobicContact CB-CG 4.34Å; H1041-L1043 PolarHBondContact O-N 3.28Å; L1043-M1045 PolarHBondContact O-N 3.2Å
1044	D	83.5	Confident	85.4	Confident	76 Å²	76	65.2 Å²	65.2	41%	0.406	34%	0.341	S	S	.	.			trans	-65.6	127.7	-175.8	-75.5	-44.6	0	0	0	111.1	R318 L1046	R318-D1044 IonicContact NH1-OD1 3.87Å; R318-D1044 PolarHBondContact NH1-OD1 3.07Å; R318-D1044 IonicContact NH1-OD2 2.68Å; R318-D1044 PolarHBondContact NH1-OD2 3.46Å; D1044-L1046 PolarHBondContact O-N 3.07Å
1045	M	83.7	Confident	85.4	Confident	64 Å²	64	65.1 Å²	65.1	32%	0.315	34%	0.341	S	S	.	.			trans	-85.9	101.6	-179.5	-73.6	-61.6	-51	0	0	111.4	E955 L958 L1035 M1038 L1043	E955-M1045 HydrophobicContact CB-CE 4.14Å; E955-M1045 HydrophobicContact CG-CE 4.49Å; L958-M1045 HydrophobicContact CB-CE 4.46Å; L958-M1045 HydrophobicContact CD2-CE 3.62Å; L958-M1045 HydrophobicContact CD2-SD 4.13Å; L1035-M1045 HydrophobicContact CD1-CE 4.17Å; L1035-M1045 HydrophobicContact CD1-CG 3.72Å; L1035-M1045 HydrophobicContact CD1-SD 3.78Å; M1038-M1045 HydrophobicContact CE-SD 3.46Å; M1038-M1045 WeakPolarHBondContact CE-SD 3.35Å; M1038-M1045 HydrophobicContact SD-SD 3.9Å; L1043-M1045 PolarHBondContact O-N 3.2Å
1046	L	86.1	Confident	85.4	Confident	94 Å²	94	63.3 Å²	63.3	49%	0.492	33%	0.331	S	S	.	.			trans	-114.5	149.5	176.7	-59.4	177	0	0	0	111.6	G952 S954 E955 D1044	G952-L1046 CarbonylContact O-C 3.52Å; S954-L1046 PolarHBondContact N-O 2.86Å; S954-L1046 PolarHBondContact OG-N 3.27Å; S954-L1046 PolarHBondContact OG-O 3.33Å; E955-L1046 PolarHBondContact N-O 3.04Å; D1044-L1046 PolarHBondContact O-N 3.07Å
1047	S	85.5	Confident	85.5	Confident	64 Å²	64	63 Å²	63	45%	0.448	32%	0.321	S	S	.	.			trans	-112.3	138.2	174.1	162.2	0	0	0	0	109.7	G952 E956 G1049	G952-S1047 CarbonylContact O-C 3.58Å; G952-S1047 VanDerWaalsContact O-C 3.23Å; E956-S1047 WeakPolarHBondContact OE1-CA 3.48Å; E956-S1047 VanDerWaalsContact OE1-CB 3.24Å; E956-S1047 WeakPolarHBondContact OE1-CB 3.38Å; E956-S1047 PolarHBondContact OE1-OG 3.37Å; E956-S1047 WeakPolarHBondContact OE2-CA 3.46Å; S1047-G1049 VanDerWaalsContact C-N 3.26Å; S1047-G1049 PolarHBondContact O-N 2.85Å; S1047-G1049 PolarHBondContact OG-N 2.87Å
1048	C	78.5	Confident	85.7	Confident	25 Å²	25	62.8 Å²	62.8	17%	0.169	32%	0.32	C	S	.	.			trans	-83.2	1.4	177.9	60.4	0	0	0	0	114	G952 C953 E956 K1050 N1051 V1055	G952-C1048 PolarHBondContact O-N 3.03Å; C953-C1048 HydrophobicContact CB-CB 3.77Å; E956-C1048 PolarHBondContact OE1-N 2.7Å; E956-C1048 PolarHBondContact OE2-N 3.33Å; C1048-K1050 PolarHBondContact O-N 3.27Å; C1048-N1051 PolarHBondContact O-N 3.43Å; C1048-V1055 VanDerWaalsContact SG-CG2 3.5Å
1049	G	79.7	Confident	85.9	Confident	61 Å²	61	62.9 Å²	62.9	63%	0.629	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-107.6	178.3	0	0	0	0	0	112.5	S1047	S1047-G1049 VanDerWaalsContact C-N 3.26Å; S1047-G1049 PolarHBondContact O-N 2.85Å; S1047-G1049 PolarHBondContact OG-N 2.87Å
1050	K	78.5	Confident	86	Confident	206 Å²	206	58.4 Å²	58.4	90%	0.896	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.3	178.4	-69	-171.9	177.1	-175.6	0	114.4	C1048 V1052	C1048-K1050 PolarHBondContact O-N 3.27Å; K1050-V1052 PolarHBondContact O-N 2.9Å
1051	N	84.5	Confident	86.1	Confident	55 Å²	55	51.2 Å²	51.2	29%	0.294	27%	0.269	S	S	.	.			trans	-82	86.7	-178	-168.6	-31.9	0	0	0	110.8	C1048 Q1053 K1054	C1048-N1051 PolarHBondContact O-N 3.43Å; N1051-Q1053 VanDerWaalsContact C-N 3.3Å; N1051-Q1053 PolarHBondContact O-N 3.22Å; N1051-Q1053 PolarHBondContact OD1-N 2.9Å; N1051-K1054 PolarHBondContact O-N 3.49Å; N1051-K1054 PolarHBondContact OD1-N 3.43Å
1052	V	86.2	Confident	86.2	Confident	45 Å²	45	49.3 Å²	49.3	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-32.7	179	177.7	0	0	0	0	112.3	E991 L995 K1050 K1054 V1055 Q1056	E991-V1052 HydrophobicContact CB-CG1 4.29Å; E991-V1052 HydrophobicContact CG-CG1 3.98Å; L995-V1052 HydrophobicContact CD1-CG1 3.36Å; L995-V1052 HydrophobicContact CD2-CG1 4Å; L995-V1052 HydrophobicContact CG-CG1 4.32Å; K1050-V1052 PolarHBondContact O-N 2.9Å; V1052-K1054 VanDerWaalsContact C-N 3.27Å; V1052-K1054 PolarHBondContact O-N 3.45Å; V1052-V1055 WeakPolarHBondContact O-CA 3.5Å; V1052-V1055 WeakPolarHBondContact O-CB 3.44Å; V1052-V1055 PolarHBondContact O-N 2.93Å; V1052-Q1056 HydrophobicContact CG1-CG 4.37Å; V1052-Q1056 PolarHBondContact O-N 3.4Å; V1052-Q1056 VanDerWaalsContact O-N 3.08Å
1053	Q	88.9	Confident	86.5	Confident	76 Å²	76	40.9 Å²	40.9	36%	0.355	22%	0.224	S	C	.	.	H	α-helix	trans	-60.9	-34.7	-179.3	-67.7	178.3	-42.9	0	0	112.2	N1051 V1055 Q1056 K1057	N1051-Q1053 VanDerWaalsContact C-N 3.3Å; N1051-Q1053 PolarHBondContact O-N 3.22Å; N1051-Q1053 PolarHBondContact OD1-N 2.9Å; Q1053-V1055 PolarHBondContact O-N 3.1Å; Q1053-Q1056 PolarHBondContact O-N 2.93Å; Q1053-Q1056 VanDerWaalsContact O-N 3.13Å; Q1053-K1057 WeakPolarHBondContact O-CB 3.27Å; Q1053-K1057 PolarHBondContact O-N 2.95Å
1054	K	89.3	Confident	86.7	Confident	37 Å²	37	40.8 Å²	40.8	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-66.8	-23.7	175.6	-62.8	-166.4	-172.7	-154.1	0	112.7	E333 D337 C953 N1051 V1052 A1058	E333-K1054 VanDerWaalsContact OE2-CE 3.32Å; E333-K1054 WeakPolarHBondContact OE2-CE 3.33Å; E333-K1054 IonicContact OE2-NZ 2.79Å; E333-K1054 PolarHBondContact OE2-NZ 3.48Å; D337-K1054 IonicContact OD2-NZ 3.86Å; C953-K1054 PolarHBondContact SG-O 2.95Å; N1051-K1054 PolarHBondContact O-N 3.49Å; N1051-K1054 PolarHBondContact OD1-N 3.43Å; V1052-K1054 VanDerWaalsContact C-N 3.27Å; V1052-K1054 PolarHBondContact O-N 3.45Å; K1054-A1058 PolarHBondContact O-N 2.91Å
1055	V	91.1	Very high	86.8	Confident	1 Å²	1	39 Å²	39	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-76.4	-44.2	168.6	-174.1	0	0	0	0	110.8	C953 E956 V957 I960 L995 C1048 V1052 Q1053 A1058 I1059	C953-V1055 HydrophobicContact CB-CG2 4.04Å; E956-V1055 HydrophobicContact CB-CG2 4Å; E956-V1055 HydrophobicContact CG-CG2 4.38Å; V957-V1055 HydrophobicContact CG2-CG1 4.11Å; I960-V1055 HydrophobicContact CD1-CG1 3.6Å; L995-V1055 HydrophobicContact CD2-CB 4.42Å; L995-V1055 HydrophobicContact CD2-CG1 4.15Å; C1048-V1055 VanDerWaalsContact SG-CG2 3.5Å; V1052-V1055 WeakPolarHBondContact O-CA 3.5Å; V1052-V1055 WeakPolarHBondContact O-CB 3.44Å; V1052-V1055 PolarHBondContact O-N 2.93Å; Q1053-V1055 PolarHBondContact O-N 3.1Å; V1055-A1058 WeakPolarHBondContact O-CB 3.46Å; V1055-A1058 PolarHBondContact O-N 2.62Å; V1055-I1059 HydrophobicContact CG1-CD1 3.89Å; V1055-I1059 WeakPolarHBondContact O-CD1 3.34Å; V1055-I1059 VanDerWaalsContact O-CG1 3.31Å; V1055-I1059 WeakPolarHBondContact O-CG1 3.35Å; V1055-I1059 PolarHBondContact O-N 3.04Å
1056	Q	90.9	Very high	87	Confident	16 Å²	16	37.7 Å²	37.7	8%	0.075	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-41.6	177.7	-62.2	174.2	-87.5	0	0	112.6	L995 V1052 Q1053 A1058 I1059 C1060 A1119 W1124	L995-Q1056 HydrophobicContact CD1-CG 4.4Å; V1052-Q1056 HydrophobicContact CG1-CG 4.37Å; V1052-Q1056 PolarHBondContact O-N 3.4Å; V1052-Q1056 VanDerWaalsContact O-N 3.08Å; Q1053-Q1056 PolarHBondContact O-N 2.93Å; Q1053-Q1056 VanDerWaalsContact O-N 3.13Å; Q1056-A1058 VanDerWaalsContact C-N 3.35Å; Q1056-A1058 PolarHBondContact O-N 3.33Å; Q1056-I1059 WeakPolarHBondContact O-CB 3.46Å; Q1056-I1059 PolarHBondContact O-N 3.35Å; Q1056-C1060 WeakPolarHBondContact O-CB 3.32Å; Q1056-C1060 PolarHBondContact O-N 2.68Å; Q1056-A1119 PolarHBondContact NE2-O 2.98Å; Q1056-W1124 HydrophobicContact CB-CH2 4.11Å; Q1056-W1124 HydrophobicContact CB-CZ3 3.63Å
1057	K	90.4	Very high	87.2	Confident	25 Å²	25	33.3 Å²	33.3	11%	0.109	18%	0.182	C	C	.	.	H	α-helix	trans	-57.9	-44.3	170.7	-77.9	-165.9	172.7	-163.6	0	111.5	E333 L951 Q1053 I1059 C1060 S1061 W1124 E1127 F1128	E333-K1057 IonicContact OE1-NZ 3.79Å; E333-K1057 PolarHBondContact OE1-NZ 3.42Å; L951-K1057 HydrophobicContact CD1-CB 4.14Å; Q1053-K1057 WeakPolarHBondContact O-CB 3.27Å; Q1053-K1057 PolarHBondContact O-N 2.95Å; K1057-I1059 PolarHBondContact O-N 3.17Å; K1057-C1060 WeakPolarHBondContact O-CB 3.34Å; K1057-C1060 PolarHBondContact O-N 2.7Å; K1057-S1061 PolarHBondContact O-N 3.43Å; K1057-W1124 HydrophobicContact CG-CD2 4.06Å; K1057-W1124 HydrophobicContact CG-CE3 4.43Å; K1057-W1124 HydrophobicContact CG-CG 4.24Å; K1057-E1127 IonicContact NZ-OE1 2.77Å; K1057-E1127 IonicContact NZ-OE2 3.62Å; K1057-F1128 HydrophobicContact CB-CE2 3.65Å; K1057-F1128 HydrophobicContact CB-CZ 3.78Å; K1057-F1128 HydrophobicContact CD-CE2 4.01Å; K1057-F1128 HydrophobicContact CD-CZ 4.02Å; K1057-F1128 HydrophobicContact CG-CE2 3.83Å; K1057-F1128 HydrophobicContact CG-CZ 4.19Å
1058	A	91.4	Very high	87.4	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-41.8	175.5	0	0	0	0	0	112.5	L951 V957 K1054 V1055 Q1056 S1061 G1062	L951-A1058 HydrophobicContact CD1-CB 3.87Å; V957-A1058 HydrophobicContact CG2-CB 4.07Å; K1054-A1058 PolarHBondContact O-N 2.91Å; V1055-A1058 WeakPolarHBondContact O-CB 3.46Å; V1055-A1058 PolarHBondContact O-N 2.62Å; Q1056-A1058 VanDerWaalsContact C-N 3.35Å; Q1056-A1058 PolarHBondContact O-N 3.33Å; A1058-S1061 PolarHBondContact O-N 3.42Å; A1058-S1061 PolarHBondContact O-OG 3.12Å; A1058-G1062 PolarHBondContact O-N 2.93Å
1059	I	92	Very high	87.9	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-50.9	174.6	-68.6	155.1	0	0	0	110.7	L944 H994 V1055 Q1056 K1057 S1061 G1062 F1063 V1102 C1118	L944-I1059 HydrophobicContact CD1-CG1 4.49Å; H994-I1059 HydrophobicContact CB-CD1 4.16Å; V1055-I1059 HydrophobicContact CG1-CD1 3.89Å; V1055-I1059 WeakPolarHBondContact O-CD1 3.34Å; V1055-I1059 VanDerWaalsContact O-CG1 3.31Å; V1055-I1059 WeakPolarHBondContact O-CG1 3.35Å; V1055-I1059 PolarHBondContact O-N 3.04Å; Q1056-I1059 WeakPolarHBondContact O-CB 3.46Å; Q1056-I1059 PolarHBondContact O-N 3.35Å; K1057-I1059 PolarHBondContact O-N 3.17Å; I1059-S1061 VanDerWaalsContact C-N 3.3Å; I1059-S1061 PolarHBondContact O-N 3.18Å; I1059-G1062 PolarHBondContact O-N 3.26Å; I1059-G1062 VanDerWaalsContact O-N 3.15Å; I1059-F1063 HydrophobicContact CG2-CD2 4.41Å; I1059-F1063 PolarHBondContact O-N 3.43Å; I1059-V1102 HydrophobicContact CG2-CG1 4.06Å; I1059-C1118 HydrophobicContact CG2-CB 4.23Å
1060	C	90.3	Very high	88.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-54.2	-45.3	176.5	-170.3	0	0	0	0	111.7	Q1056 K1057 G1062 F1063 F1064 V1120 L1125	Q1056-C1060 WeakPolarHBondContact O-CB 3.32Å; Q1056-C1060 PolarHBondContact O-N 2.68Å; K1057-C1060 WeakPolarHBondContact O-CB 3.34Å; K1057-C1060 PolarHBondContact O-N 2.7Å; C1060-G1062 PolarHBondContact O-N 3.46Å; C1060-G1062 VanDerWaalsContact O-N 3.17Å; C1060-F1063 PolarHBondContact O-N 3.13Å; C1060-F1064 WeakPolarHBondContact O-CA 3.18Å; C1060-F1064 WeakPolarHBondContact O-CB 3.33Å; C1060-F1064 PolarHBondContact O-N 2.91Å; C1060-V1120 HydrophobicContact CB-CG1 4.46Å; C1060-L1125 VanDerWaalsContact SG-CD2 3.58Å
1061	S	87	Confident	88.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.007	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-23.3	-179.5	81	0	0	0	0	115.5	K943 I947 K1057 A1058 I1059	K943-S1061 VanDerWaalsContact CE-O 3.26Å; K943-S1061 WeakPolarHBondContact CE-O 3.45Å; I947-S1061 WeakPolarHBondContact CD1-OG 3.38Å; I947-S1061 WeakPolarHBondContact CG2-OG 3.31Å; K1057-S1061 PolarHBondContact O-N 3.43Å; A1058-S1061 PolarHBondContact O-N 3.42Å; A1058-S1061 PolarHBondContact O-OG 3.12Å; I1059-S1061 VanDerWaalsContact C-N 3.3Å; I1059-S1061 PolarHBondContact O-N 3.18Å
1062	G	86.3	Confident	88.1	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-97.1	-31.5	177.5	0	0	0	0	0	114.5	T940 A1058 I1059 C1060	T940-G1062 WeakPolarHBondContact CB-O 3.36Å; A1058-G1062 PolarHBondContact O-N 2.93Å; I1059-G1062 PolarHBondContact O-N 3.26Å; I1059-G1062 VanDerWaalsContact O-N 3.15Å; C1060-G1062 PolarHBondContact O-N 3.46Å; C1060-G1062 VanDerWaalsContact O-N 3.17Å
1063	F	89.4	Confident	87.6	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-116.7	19.5	-172.5	-69.9	-68.5	0	0	0	114	T940 L941 L944 I1059 C1060 R1065 N1066 V1102 H1104	T940-F1063 HydrophobicContact CG2-CD1 4.43Å; T940-F1063 HydrophobicContact CG2-CE1 4.41Å; L941-F1063 HydrophobicContact CD2-CE2 4.05Å; L941-F1063 HydrophobicContact CD2-CZ 3.69Å; L941-F1063 HydrophobicContact CG-CZ 4.15Å; L944-F1063 HydrophobicContact CD1-CD2 3.63Å; L944-F1063 HydrophobicContact CD1-CE2 3.52Å; I1059-F1063 HydrophobicContact CG2-CD2 4.41Å; I1059-F1063 PolarHBondContact O-N 3.43Å; C1060-F1063 PolarHBondContact O-N 3.13Å; F1063-R1065 PolarHBondContact O-N 3.3Å; F1063-R1065 VanDerWaalsContact O-N 3.09Å; F1063-N1066 HydrophobicContact CB-CB 4.41Å; F1063-N1066 CarbonylContact O-C 3.53Å; F1063-N1066 WeakPolarHBondContact O-CA 3.34Å; F1063-N1066 WeakPolarHBondContact O-CB 3.31Å; F1063-N1066 PolarHBondContact O-N 3.41Å; F1063-V1102 HydrophobicContact CB-CG1 3.39Å; F1063-V1102 HydrophobicContact CG-CG1 4.41Å; F1063-H1104 AromaticContact CE1-ND1 3.36Å; F1063-H1104 WeakPolarHBondContact CE1-ND1 3.4Å; F1063-H1104 AromaticContact CZ-CE1 3.7Å; F1063-H1104 AromaticContact CZ-ND1 3.1Å; F1063-H1104 WeakPolarHBondContact CZ-ND1 3.3Å
1064	F	87.4	Confident	86.9	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.018	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-34.6	179.1	63.8	-87.6	0	0	0	114.6	S915 L916 C1060 N1066 A1067 L1125 A1129 F1132 F1133	S915-F1064 WeakPolarHBondContact O-CZ 3.48Å; L916-F1064 HydrophobicContact CD2-CE1 4.02Å; L916-F1064 HydrophobicContact CD2-CZ 4.43Å; C1060-F1064 WeakPolarHBondContact O-CA 3.18Å; C1060-F1064 WeakPolarHBondContact O-CB 3.33Å; C1060-F1064 PolarHBondContact O-N 2.91Å; F1064-N1066 VanDerWaalsContact C-N 3.33Å; F1064-A1067 WeakPolarHBondContact O-CB 3.45Å; F1064-L1125 HydrophobicContact CB-CD2 4.18Å; F1064-A1129 HydrophobicContact CB-CB 3.95Å; F1064-A1129 HydrophobicContact CD1-CB 4.23Å; F1064-A1129 HydrophobicContact CD2-CB 3.5Å; F1064-A1129 HydrophobicContact CE2-CB 4.07Å; F1064-A1129 HydrophobicContact CG-CB 3.61Å; F1064-F1132 HydrophobicContact CD2-CB 4.34Å; F1064-F1132 HydrophobicContact CD2-CD1 4.11Å; F1064-F1132 HydrophobicContact CD2-CG 4.32Å; F1064-F1132 HydrophobicContact CE2-CB 4.11Å; F1064-F1132 HydrophobicContact CE2-CD1 4.28Å; F1064-F1132 HydrophobicContact CE2-CG 4.09Å; F1064-F1133 HydrophobicContact CB-CE2 4.11Å; F1064-F1133 HydrophobicContact CD2-CE2 4.33Å; F1064-F1133 VanDerWaalsContact O-CE2 3.28Å; F1064-F1133 WeakPolarHBondContact O-CE2 3.49Å; F1064-F1133 WeakPolarHBondContact O-CZ 3.46Å
1065	R	85.2	Confident	86.6	Confident	38 Å²	38	32.6 Å²	32.6	14%	0.143	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-31.6	174.2	-173.2	178.6	172.8	165.2	-0.9	112.5	F1063 A1067 V1080 F1132	F1063-R1065 PolarHBondContact O-N 3.3Å; F1063-R1065 VanDerWaalsContact O-N 3.09Å; R1065-A1067 PolarHBondContact O-N 2.97Å; R1065-V1080 HydrophobicContact CG-CG2 3.94Å; R1065-F1132 HydrophobicContact CG-CZ 4.3Å
1066	N	88	Confident	86.5	Confident	37 Å²	37	32.8 Å²	32.8	20%	0.198	17%	0.17	C	C	.	.	S	Bend	trans	-91.1	52.2	-179.7	-64.3	15.7	0	0	0	110.8	F1063 F1064 V1102 Y1103 H1104	F1063-N1066 HydrophobicContact CB-CB 4.41Å; F1063-N1066 CarbonylContact O-C 3.53Å; F1063-N1066 WeakPolarHBondContact O-CA 3.34Å; F1063-N1066 WeakPolarHBondContact O-CB 3.31Å; F1063-N1066 PolarHBondContact O-N 3.41Å; F1064-N1066 VanDerWaalsContact C-N 3.33Å; N1066-V1102 WeakPolarHBondContact O-CA 3.42Å; N1066-Y1103 HydrophobicContact CB-CD1 4.42Å; N1066-Y1103 HydrophobicContact CB-CD2 3.92Å; N1066-Y1103 HydrophobicContact CB-CE1 4.23Å; N1066-Y1103 HydrophobicContact CB-CE2 3.68Å; N1066-Y1103 HydrophobicContact CB-CG 4.28Å; N1066-Y1103 WeakPolarHBondContact CB-O 3.44Å; N1066-Y1103 PolarHBondContact ND2-O 3.09Å; N1066-Y1103 WeakPolarHBondContact O-CD1 3.48Å; N1066-Y1103 VanDerWaalsContact O-CE1 3.3Å; N1066-Y1103 WeakPolarHBondContact O-CE1 3.26Å; N1066-Y1103 PolarHBondContact O-N 3.19Å; N1066-H1104 PolarHBondContact ND2-O 2.53Å; N1066-H1104 VanDerWaalsContact ND2-O 3.17Å
1067	A	89.9	Confident	86.3	Confident	1 Å²	1	35 Å²	35	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.1	177.6	0	0	0	0	0	110.8	F1064 R1065 L1079 V1101 V1102 L1125	F1064-A1067 WeakPolarHBondContact O-CB 3.45Å; R1065-A1067 PolarHBondContact O-N 2.97Å; A1067-L1079 HydrophobicContact CB-CD1 3.61Å; A1067-L1079 HydrophobicContact CB-CG 4.12Å; A1067-L1079 PolarHBondContact O-N 3.17Å; A1067-V1101 WeakPolarHBondContact CA-O 3.01Å; A1067-V1102 HydrophobicContact CB-CG2 4.1Å; A1067-L1125 HydrophobicContact CB-CD1 4.16Å; A1067-L1125 HydrophobicContact CB-CD2 4Å
1068	A	90.4	Very high	86.1	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.6	175	0	0	0	0	0	111.1	Y1076 R1077 V1085 V1101 Y1103 M1114	A1068-Y1076 HydrophobicContact CB-CD1 4.44Å; A1068-R1077 CarbonylContact C-O 3.6Å; A1068-R1077 VanDerWaalsContact CA-O 3.26Å; A1068-R1077 WeakPolarHBondContact CA-O 3.41Å; A1068-R1077 WeakPolarHBondContact CB-O 3.48Å; A1068-V1085 HydrophobicContact CB-CG2 4.32Å; A1068-V1101 HydrophobicContact CB-CG2 3.99Å; A1068-V1101 PolarHBondContact N-O 3.35Å; A1068-V1101 PolarHBondContact O-N 3.38Å; A1068-Y1103 HydrophobicContact CB-CD1 4.48Å; A1068-Y1103 HydrophobicContact CB-CE1 4.18Å; A1068-M1114 HydrophobicContact CB-SD 3.83Å
1069	K	89.2	Confident	85.7	Confident	59 Å²	59	35.6 Å²	35.6	26%	0.257	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.5	171.4	176.1	164.5	174.5	139.2	0	109.4	D391 D1071 Y1076 R1077 L1079 E1099 W1100	D391-K1069 IonicContact OD1-NZ 3.92Å; K1069-D1071 PolarHBondContact O-N 2.93Å; K1069-Y1076 CarbonylContact O-C 3.46Å; K1069-Y1076 WeakPolarHBondContact O-CA 3.43Å; K1069-R1077 PolarHBondContact N-O 2.76Å; K1069-R1077 PolarHBondContact O-N 3.44Å; K1069-L1079 HydrophobicContact CB-CD2 4.11Å; K1069-E1099 CarbonylContact C-O 3.5Å; K1069-E1099 WeakPolarHBondContact CA-O 3.34Å; K1069-E1099 WeakPolarHBondContact CE-OE1 3.45Å; K1069-E1099 IonicContact NZ-OE1 3.78Å; K1069-E1099 PolarHBondContact NZ-OE1 2.99Å; K1069-W1100 HydrophobicContact CB-CD2 4.46Å; K1069-W1100 HydrophobicContact CB-CE3 4.3Å; K1069-W1100 HydrophobicContact CB-CZ3 4.38Å; K1069-W1100 HydrophobicContact CD-CH2 4.04Å; K1069-W1100 HydrophobicContact CD-CZ2 3.66Å
1070	K	87.8	Confident	85	Confident	71 Å²	71	37.4 Å²	37.4	31%	0.309	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.1	176.1	-164.8	178.1	-171.3	178.1	0	110	G1075 Y1076 Q1097 E1099	K1070-G1075 CarbonylContact C-O 3.6Å; K1070-G1075 WeakPolarHBondContact CA-O 3.27Å; K1070-G1075 VanDerWaalsContact CG-O 3.31Å; K1070-G1075 WeakPolarHBondContact CG-O 3.27Å; K1070-Y1076 HydrophobicContact CB-CD1 3.94Å; K1070-Y1076 HydrophobicContact CB-CE1 3.61Å; K1070-Y1076 HydrophobicContact CG-CD1 4.41Å; K1070-Y1076 HydrophobicContact CG-CE1 3.99Å; K1070-Y1076 HydrophobicContact CG-CE2 4.23Å; K1070-Q1097 VanDerWaalsContact NZ-CB 3.26Å; K1070-Q1097 PolarHBondContact NZ-O 3.27Å; K1070-E1099 HydrophobicContact CB-CG 4.37Å; K1070-E1099 WeakPolarHBondContact CB-O 3.36Å; K1070-E1099 PolarHBondContact N-O 3.16Å
1071	D	83	Confident	84.3	Confident	24 Å²	24	40.1 Å²	40.1	13%	0.128	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.7	174.2	-170.6	-70.2	0	0	0	109.1	K1069 Q1073 E1074 G1075 R1077	K1069-D1071 PolarHBondContact O-N 2.93Å; D1071-Q1073 PolarHBondContact O-N 2.71Å; D1071-Q1073 PolarHBondContact OD1-N 3.14Å; D1071-E1074 HydrophobicContact CB-CB 4.35Å; D1071-E1074 PolarHBondContact OD1-N 3.43Å; D1071-E1074 VanDerWaalsContact OD1-N 3.09Å; D1071-G1075 PolarHBondContact N-O 2.98Å; D1071-G1075 PolarHBondContact O-N 3.43Å; D1071-R1077 HydrophobicContact CB-CG 4.19Å; D1071-R1077 WeakPolarHBondContact OD2-CD 3.37Å; D1071-R1077 IonicContact OD2-CZ 2.71Å; D1071-R1077 IonicContact OD2-NE 3.69Å; D1071-R1077 IonicContact OD2-NH1 3.16Å; D1071-R1077 PolarHBondContact OD2-NH1 3.34Å
1072	P	77	Confident	83.9	Confident	133 Å²	133	43.2 Å²	43.2	86%	0.864	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17	-178.2	-26.8	35.5	0	0	0	115.7
1073	Q	75.3	Confident	83.7	Confident	171 Å²	171	45 Å²	45	80%	0.799	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-42.1	-179.4	-61.4	-175	-6	0	0	112.7	D1071	D1071-Q1073 PolarHBondContact O-N 2.71Å; D1071-Q1073 PolarHBondContact OD1-N 3.14Å
1074	E	73.8	Confident	83.6	Confident	72 Å²	72	47.1 Å²	47.1	34%	0.336	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.5	-171.9	-74.2	178.1	-162.5	0	0	115.1	D1071 R1077	D1071-E1074 HydrophobicContact CB-CB 4.35Å; D1071-E1074 PolarHBondContact OD1-N 3.43Å; D1071-E1074 VanDerWaalsContact OD1-N 3.09Å; E1074-R1077 IonicContact OE1-CZ 3.97Å; E1074-R1077 IonicContact OE1-NH2 3.42Å; E1074-R1077 PolarHBondContact OE1-NH2 3.11Å; E1074-R1077 IonicContact OE2-CZ 2.64Å; E1074-R1077 IonicContact OE2-NE 2.74Å; E1074-R1077 PolarHBondContact OE2-NE 3.42Å; E1074-R1077 IonicContact OE2-NH2 2.68Å; E1074-R1077 PolarHBondContact OE2-NH2 2.85Å
1075	G	82.7	Confident	83.7	Confident	25 Å²	25	47 Å²	47	26%	0.258	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	103.3	-87.1	179.8	0	0	0	0	0	111.7	K1070 D1071	K1070-G1075 CarbonylContact C-O 3.6Å; K1070-G1075 WeakPolarHBondContact CA-O 3.27Å; K1070-G1075 VanDerWaalsContact CG-O 3.31Å; K1070-G1075 WeakPolarHBondContact CG-O 3.27Å; D1071-G1075 PolarHBondContact N-O 2.98Å; D1071-G1075 PolarHBondContact O-N 3.43Å
1076	Y	88.8	Confident	83.9	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.7	171.1	-72.6	-97.6	0	0	0	110.5	A1068 K1069 K1070 S1084 V1085 I1087 Q1097 P1098 V1101 M1114	A1068-Y1076 HydrophobicContact CB-CD1 4.44Å; K1069-Y1076 CarbonylContact O-C 3.46Å; K1069-Y1076 WeakPolarHBondContact O-CA 3.43Å; K1070-Y1076 HydrophobicContact CB-CD1 3.94Å; K1070-Y1076 HydrophobicContact CB-CE1 3.61Å; K1070-Y1076 HydrophobicContact CG-CD1 4.41Å; K1070-Y1076 HydrophobicContact CG-CE1 3.99Å; K1070-Y1076 HydrophobicContact CG-CE2 4.23Å; Y1076-S1084 CarbonylContact O-C 3.6Å; Y1076-S1084 WeakPolarHBondContact O-CA 3.4Å; Y1076-V1085 WeakPolarHBondContact CB-O 3.35Å; Y1076-V1085 PolarHBondContact N-O 3.37Å; Y1076-V1085 PolarHBondContact O-N 3.49Å; Y1076-I1087 HydrophobicContact CD2-CD1 4.47Å; Y1076-I1087 HydrophobicContact CD2-CG1 4.25Å; Y1076-I1087 HydrophobicContact CE2-CD1 3.6Å; Y1076-I1087 HydrophobicContact CE2-CG1 3.85Å; Y1076-Q1097 WeakPolarHBondContact OH-CA 3.3Å; Y1076-Q1097 WeakPolarHBondContact OH-CB 3.49Å; Y1076-P1098 WeakPolarHBondContact CE1-O 3.25Å; Y1076-P1098 PolarHBondContact OH-O 3Å; Y1076-V1101 HydrophobicContact CD1-CG2 3.79Å; Y1076-V1101 HydrophobicContact CE1-CG1 4.04Å; Y1076-V1101 HydrophobicContact CE1-CG2 3.76Å; Y1076-M1114 HydrophobicContact CD1-CE 4.18Å; Y1076-M1114 HydrophobicContact CD2-CE 3.91Å; Y1076-M1114 HydrophobicContact CG-CE 3.68Å
1077	R	87.3	Confident	84.1	Confident	62 Å²	62	47.4 Å²	47.4	23%	0.234	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.4	171.9	-75.5	176.4	170.1	164.8	-16.7	110.8	A1068 K1069 D1071 E1074 Q1083	A1068-R1077 CarbonylContact C-O 3.6Å; A1068-R1077 VanDerWaalsContact CA-O 3.26Å; A1068-R1077 WeakPolarHBondContact CA-O 3.41Å; A1068-R1077 WeakPolarHBondContact CB-O 3.48Å; K1069-R1077 PolarHBondContact N-O 2.76Å; K1069-R1077 PolarHBondContact O-N 3.44Å; D1071-R1077 HydrophobicContact CB-CG 4.19Å; D1071-R1077 WeakPolarHBondContact OD2-CD 3.37Å; D1071-R1077 IonicContact OD2-CZ 2.71Å; D1071-R1077 IonicContact OD2-NE 3.69Å; D1071-R1077 IonicContact OD2-NH1 3.16Å; D1071-R1077 PolarHBondContact OD2-NH1 3.34Å; E1074-R1077 IonicContact OE1-CZ 3.97Å; E1074-R1077 IonicContact OE1-NH2 3.42Å; E1074-R1077 PolarHBondContact OE1-NH2 3.11Å; E1074-R1077 IonicContact OE2-CZ 2.64Å; E1074-R1077 IonicContact OE2-NE 2.74Å; E1074-R1077 PolarHBondContact OE2-NE 3.42Å; E1074-R1077 IonicContact OE2-NH2 2.68Å; E1074-R1077 PolarHBondContact OE2-NH2 2.85Å; R1077-Q1083 VanDerWaalsContact CA-O 3.27Å; R1077-Q1083 WeakPolarHBondContact CA-O 3.36Å
1078	T	86.8	Confident	84	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	140.2	176.3	58.9	0	0	0	0	110.9	V1080 S1082 Q1083 V1085 Y1103 L1106	T1078-V1080 VanDerWaalsContact C-N 3.31Å; T1078-V1080 PolarHBondContact O-N 3.22Å; T1078-S1082 VanDerWaalsContact O-CA 3.26Å; T1078-S1082 WeakPolarHBondContact O-CA 3.5Å; T1078-S1082 PolarHBondContact O-N 2.69Å; T1078-S1082 PolarHBondContact OG1-N 3.36Å; T1078-Q1083 PolarHBondContact N-O 2.77Å; T1078-Q1083 VanDerWaalsContact N-O 3.11Å; T1078-Q1083 PolarHBondContact OG1-N 3.43Å; T1078-Q1083 VanDerWaalsContact OG1-N 3.14Å; T1078-V1085 HydrophobicContact CG2-CB 4.5Å; T1078-V1085 HydrophobicContact CG2-CG1 3.74Å; T1078-V1085 HydrophobicContact CG2-CG2 3.89Å; T1078-Y1103 HydrophobicContact CG2-CE1 4.46Å; T1078-L1106 HydrophobicContact CG2-CD2 4.44Å
1079	L	82.4	Confident	83.7	Confident	34 Å²	34	53.2 Å²	53.2	18%	0.178	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.8	-177.1	-64.1	-174.8	0	0	0	113.4	A1067 K1069 W1100 L1125 F1133	A1067-L1079 HydrophobicContact CB-CD1 3.61Å; A1067-L1079 HydrophobicContact CB-CG 4.12Å; A1067-L1079 PolarHBondContact O-N 3.17Å; K1069-L1079 HydrophobicContact CB-CD2 4.11Å; L1079-W1100 HydrophobicContact CD1-CE3 4.42Å; L1079-W1100 HydrophobicContact CD1-CZ3 3.81Å; L1079-W1100 HydrophobicContact CD2-CH2 4.49Å; L1079-W1100 HydrophobicContact CD2-CZ3 3.82Å; L1079-W1100 HydrophobicContact CG-CZ3 4.43Å; L1079-L1125 HydrophobicContact CD1-CD1 4.21Å; L1079-F1133 HydrophobicContact CB-CE1 4.36Å; L1079-F1133 HydrophobicContact CD1-CE1 3.92Å; L1079-F1133 HydrophobicContact CD1-CZ 3.85Å
1080	V	78	Confident	83.4	Confident	40 Å²	40	53.4 Å²	53.4	24%	0.242	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-54.8	-176.7	-171	0	0	0	0	111.2	R1065 T1078 F1132	R1065-V1080 HydrophobicContact CG-CG2 3.94Å; T1078-V1080 VanDerWaalsContact C-N 3.31Å; T1078-V1080 PolarHBondContact O-N 3.22Å; V1080-F1132 HydrophobicContact CG2-CE1 4.11Å; V1080-F1132 HydrophobicContact CG2-CZ 3.94Å
1081	D	74.2	Confident	83.3	Confident	57 Å²	57	50.4 Å²	50.4	31%	0.305	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-5.7	-169.6	-56.3	-28.1	0	0	0	114.2	T821 Q1083	T821-D1081 VanDerWaalsContact CA-OD2 3.27Å; T821-D1081 WeakPolarHBondContact CA-OD2 3.38Å; D1081-Q1083 HydrophobicContact CB-CG 3.88Å; D1081-Q1083 PolarHBondContact O-N 2.93Å; D1081-Q1083 PolarHBondContact OD2-NE2 3.14Å
1082	S	78.8	Confident	83.4	Confident	66 Å²	66	49.8 Å²	49.8	46%	0.462	28%	0.279	S	S	.	.			trans	56.8	24.5	-173	-56.8	0	0	0	0	115.1	T1078	T1078-S1082 VanDerWaalsContact O-CA 3.26Å; T1078-S1082 WeakPolarHBondContact O-CA 3.5Å; T1078-S1082 PolarHBondContact O-N 2.69Å; T1078-S1082 PolarHBondContact OG1-N 3.36Å
1083	Q	82.6	Confident	83.9	Confident	37 Å²	37	43.5 Å²	43.5	17%	0.173	24%	0.239	C	C	.	.			trans	-75.7	143	179.8	-73.8	159.7	21.6	0	0	111.9	R1077 T1078 D1081 V1085	R1077-Q1083 VanDerWaalsContact CA-O 3.27Å; R1077-Q1083 WeakPolarHBondContact CA-O 3.36Å; T1078-Q1083 PolarHBondContact N-O 2.77Å; T1078-Q1083 VanDerWaalsContact N-O 3.11Å; T1078-Q1083 PolarHBondContact OG1-N 3.43Å; T1078-Q1083 VanDerWaalsContact OG1-N 3.14Å; D1081-Q1083 HydrophobicContact CB-CG 3.88Å; D1081-Q1083 PolarHBondContact O-N 2.93Å; D1081-Q1083 PolarHBondContact OD2-NE2 3.14Å; Q1083-V1085 HydrophobicContact CB-CG1 4.46Å; Q1083-V1085 PolarHBondContact O-N 3.18Å
1084	S	87.6	Confident	84.3	Confident	50 Å²	50	39.8 Å²	39.8	35%	0.35	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	97.5	-175.6	46.1	0	0	0	0	112.6	Y1076 Y1086	Y1076-S1084 CarbonylContact O-C 3.6Å; Y1076-S1084 WeakPolarHBondContact O-CA 3.4Å; S1084-Y1086 WeakPolarHBondContact O-CE2 3.5Å
1085	V	89.1	Confident	84.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	157.3	-171.1	-61.4	0	0	0	0	112	A1068 Y1076 T1078 Q1083 L1106 E1112 M1114	A1068-V1085 HydrophobicContact CB-CG2 4.32Å; Y1076-V1085 WeakPolarHBondContact CB-O 3.35Å; Y1076-V1085 PolarHBondContact N-O 3.37Å; Y1076-V1085 PolarHBondContact O-N 3.49Å; T1078-V1085 HydrophobicContact CG2-CB 4.5Å; T1078-V1085 HydrophobicContact CG2-CG1 3.74Å; T1078-V1085 HydrophobicContact CG2-CG2 3.89Å; Q1083-V1085 HydrophobicContact CB-CG1 4.46Å; Q1083-V1085 PolarHBondContact O-N 3.18Å; V1085-L1106 HydrophobicContact CB-CD1 4.05Å; V1085-L1106 HydrophobicContact CG1-CD1 3.66Å; V1085-L1106 HydrophobicContact CG1-CD2 3.85Å; V1085-L1106 HydrophobicContact CG1-CG 4.41Å; V1085-E1112 HydrophobicContact CG1-CB 4.12Å; V1085-M1114 HydrophobicContact CB-CG 4.15Å; V1085-M1114 HydrophobicContact CB-SD 4.5Å; V1085-M1114 HydrophobicContact CG2-CE 3.93Å; V1085-M1114 HydrophobicContact CG2-CG 3.97Å; V1085-M1114 HydrophobicContact CG2-SD 3.68Å
1086	Y	90.2	Very high	84.6	Confident	77 Å²	77	49.5 Å²	49.5	30%	0.302	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145	-175.2	-62	-99.2	0	0	0	111	S1084 H1088 K1111 E1112 Y1113 M1114	S1084-Y1086 WeakPolarHBondContact O-CE2 3.5Å; Y1086-H1088 PolarHBondContact O-N 3.14Å; Y1086-K1111 HydrophobicContact CD2-CB 4.39Å; Y1086-K1111 HydrophobicContact CD2-CD 4.01Å; Y1086-K1111 HydrophobicContact CE2-CD 3.87Å; Y1086-K1111 HydrophobicContact CG-CD 4.44Å; Y1086-K1111 PolarHBondContact OH-NZ 3.31Å; Y1086-E1112 PolarHBondContact N-O 3.35Å; Y1086-Y1113 CarbonylContact O-C 3.51Å; Y1086-Y1113 VanDerWaalsContact O-CA 3.29Å; Y1086-Y1113 WeakPolarHBondContact O-CA 3.49Å; Y1086-M1114 PolarHBondContact O-N 3.48Å
1087	I	90.7	Very high	84.3	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.2	169.2	-66.2	177.1	0	0	0	108.7	Y1076 S1091 L1093 F1094 Q1097 M1114	Y1076-I1087 HydrophobicContact CD2-CD1 4.47Å; Y1076-I1087 HydrophobicContact CD2-CG1 4.25Å; Y1076-I1087 HydrophobicContact CE2-CD1 3.6Å; Y1076-I1087 HydrophobicContact CE2-CG1 3.85Å; I1087-S1091 VanDerWaalsContact CG2-CB 3.48Å; I1087-L1093 HydrophobicContact CD1-CB 4.38Å; I1087-F1094 HydrophobicContact CG2-CB 4.38Å; I1087-F1094 HydrophobicContact CG2-CD2 4.48Å; I1087-Q1097 HydrophobicContact CD1-CG 4.43Å; I1087-M1114 HydrophobicContact CG1-CE 3.76Å
1088	H	87.8	Confident	84.3	Confident	47 Å²	47	52.4 Å²	52.4	22%	0.218	28%	0.278	C	S	.	.			trans	-62.3	135.9	177.7	-169.5	-108.9	0	0	0	111	Y1086 S1090 S1091 Y1113 M1114 R1115	Y1086-H1088 PolarHBondContact O-N 3.14Å; H1088-S1090 PolarHBondContact CE1-OG 3.37Å; H1088-S1090 PolarHBondContact ND1-N 3.45Å; H1088-S1090 PolarHBondContact ND1-OG 3.12Å; H1088-S1090 PolarHBondContact O-N 3.04Å; H1088-S1091 WeakPolarHBondContact O-CB 3.29Å; H1088-S1091 PolarHBondContact O-N 3.36Å; H1088-Y1113 HydrophobicContact CB-CD1 4.45Å; H1088-Y1113 AromaticContact CD2-CG 3.83Å; H1088-M1114 VanDerWaalsContact CB-O 3.27Å; H1088-M1114 WeakPolarHBondContact CB-O 3.49Å; H1088-M1114 PolarHBondContact N-O 3.32Å; H1088-R1115 HydrophobicContact CB-CG 4.21Å
1089	P	85.3	Confident	84.3	Confident	76 Å²	76	56.5 Å²	56.5	49%	0.494	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-9.1	-177.5	-27.4	35.9	0	0	0	116.3	F1094	P1089-F1094 HydrophobicContact CB-CD2 4.4Å; P1089-F1094 HydrophobicContact CB-CE2 4.27Å; P1089-F1094 HydrophobicContact CB-CZ 4.46Å; P1089-F1094 HydrophobicContact CG-CE2 4.13Å
1090	S	82.8	Confident	84.7	Confident	63 Å²	63	55.7 Å²	55.7	44%	0.441	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1.2	172.2	77.9	0	0	0	0	114.5	K984 H1088	K984-S1090 PolarHBondContact NZ-O 2.8Å; H1088-S1090 PolarHBondContact CE1-OG 3.37Å; H1088-S1090 PolarHBondContact ND1-N 3.45Å; H1088-S1090 PolarHBondContact ND1-OG 3.12Å; H1088-S1090 PolarHBondContact O-N 3.04Å
1091	S	85.7	Confident	85.4	Confident	8 Å²	8	53.8 Å²	53.8	6%	0.056	28%	0.28	C	S	.	.	S	Bend	trans	-77.6	147	178.2	-179.6	0	0	0	0	111.7	D993 I1087 H1088 L1093 F1094	D993-S1091 VanDerWaalsContact OD1-CA 3.28Å; D993-S1091 WeakPolarHBondContact OD1-CA 3.23Å; D993-S1091 PolarHBondContact OD1-OG 3.16Å; D993-S1091 VanDerWaalsContact OD2-CB 3.25Å; D993-S1091 WeakPolarHBondContact OD2-CB 3.42Å; D993-S1091 PolarHBondContact OD2-OG 3Å; I1087-S1091 VanDerWaalsContact CG2-CB 3.48Å; H1088-S1091 WeakPolarHBondContact O-CB 3.29Å; H1088-S1091 PolarHBondContact O-N 3.36Å; S1091-L1093 PolarHBondContact O-N 2.98Å; S1091-L1093 PolarHBondContact OG-N 2.92Å; S1091-L1093 VanDerWaalsContact OG-N 3.17Å; S1091-F1094 WeakPolarHBondContact O-CB 3.47Å; S1091-F1094 PolarHBondContact O-N 3.05Å
1092	S	85.5	Confident	86.2	Confident	10 Å²	10	51.1 Å²	51.1	7%	0.07	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.1	-30.5	168.7	66.9	0	0	0	0	112.2	Q989 D993 F1094	Q989-S1092 PolarHBondContact O-OG 3.4Å; D993-S1092 PolarHBondContact OD1-N 3.41Å; S1092-F1094 VanDerWaalsContact C-N 3.29Å; S1092-F1094 PolarHBondContact O-N 2.95Å
1093	L	85.9	Confident	86.9	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-83.6	7	-179.5	-59.5	-178.5	0	0	0	114	P990 I1087 S1091 Q1095 H1096 V1117	P990-L1093 VanDerWaalsContact O-CD2 3.3Å; P990-L1093 WeakPolarHBondContact O-CD2 3.24Å; I1087-L1093 HydrophobicContact CD1-CB 4.38Å; S1091-L1093 PolarHBondContact O-N 2.98Å; S1091-L1093 PolarHBondContact OG-N 2.92Å; S1091-L1093 VanDerWaalsContact OG-N 3.17Å; L1093-Q1095 VanDerWaalsContact C-N 3.32Å; L1093-Q1095 PolarHBondContact O-N 2.94Å; L1093-H1096 CarbonylContact C-O 3.59Å; L1093-H1096 CarbonylContact O-C 3.51Å; L1093-V1117 HydrophobicContact CD1-CB 4.14Å; L1093-V1117 HydrophobicContact CD1-CG1 3.95Å; L1093-V1117 WeakPolarHBondContact CD1-O 3.39Å
1094	F	85.1	Confident	87.2	Confident	93 Å²	93	49.2 Å²	49.2	41%	0.408	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64.5	-36.6	178.2	-176.7	-104.7	0	0	0	112.7	I1087 P1089 S1091 S1092 Q1097	I1087-F1094 HydrophobicContact CG2-CB 4.38Å; I1087-F1094 HydrophobicContact CG2-CD2 4.48Å; P1089-F1094 HydrophobicContact CB-CD2 4.4Å; P1089-F1094 HydrophobicContact CB-CE2 4.27Å; P1089-F1094 HydrophobicContact CB-CZ 4.46Å; P1089-F1094 HydrophobicContact CG-CE2 4.13Å; S1091-F1094 WeakPolarHBondContact O-CB 3.47Å; S1091-F1094 PolarHBondContact O-N 3.05Å; S1092-F1094 VanDerWaalsContact C-N 3.29Å; S1092-F1094 PolarHBondContact O-N 2.95Å; F1094-Q1097 PolarHBondContact O-NE2 3.31Å
1095	Q	80.2	Confident	87.1	Confident	163 Å²	163	50.9 Å²	50.9	76%	0.762	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-43.5	176.8	-68	179.4	-16	0	0	112.4	L1093	L1093-Q1095 VanDerWaalsContact C-N 3.32Å; L1093-Q1095 PolarHBondContact O-N 2.94Å
1096	H	81.8	Confident	86.9	Confident	137 Å²	137	51.8 Å²	51.8	63%	0.634	26%	0.256	S	S	*	.	S	Bend	trans	-102.4	98.6	177.7	-66.5	-69.2	0	0	0	109.7	L1093 P1098	L1093-H1096 CarbonylContact C-O 3.59Å; L1093-H1096 CarbonylContact O-C 3.51Å; H1096-P1098 WeakPolarHBondContact O-CD 3.31Å
1097	Q	83.3	Confident	86.3	Confident	87 Å²	87	49 Å²	49	41%	0.407	25%	0.247	S	C	.	.			trans	-99.1	91.5	-172.9	-68.4	178.4	3.5	0	0	111.7	K1070 Y1076 I1087 F1094	K1070-Q1097 VanDerWaalsContact NZ-CB 3.26Å; K1070-Q1097 PolarHBondContact NZ-O 3.27Å; Y1076-Q1097 WeakPolarHBondContact OH-CA 3.3Å; Y1076-Q1097 WeakPolarHBondContact OH-CB 3.49Å; I1087-Q1097 HydrophobicContact CD1-CG 4.43Å; F1094-Q1097 PolarHBondContact O-NE2 3.31Å
1098	P	85.8	Confident	85.4	Confident	40 Å²	40	53 Å²	53	26%	0.26	27%	0.267	S	S	.	.			trans	-66.6	160.7	176.6	31.6	-38.6	0	0	0	111.6	Y1076 H1096 V1101 A1119	Y1076-P1098 WeakPolarHBondContact CE1-O 3.25Å; Y1076-P1098 PolarHBondContact OH-O 3Å; H1096-P1098 WeakPolarHBondContact O-CD 3.31Å; P1098-V1101 HydrophobicContact CG-CG1 3.65Å; P1098-A1119 HydrophobicContact CB-CB 4.26Å; P1098-A1119 HydrophobicContact CG-CB 3.94Å
1099	E	87.1	Confident	84.7	Confident	91 Å²	91	54.6 Å²	54.6	43%	0.425	28%	0.28	S	S	.	.	S	Bend	trans	-68.5	-42.1	-177.8	-169.3	-160.1	146.3	0	0	113	K1069 K1070	K1069-E1099 CarbonylContact C-O 3.5Å; K1069-E1099 WeakPolarHBondContact CA-O 3.34Å; K1069-E1099 WeakPolarHBondContact CE-OE1 3.45Å; K1069-E1099 IonicContact NZ-OE1 3.78Å; K1069-E1099 PolarHBondContact NZ-OE1 2.99Å; K1070-E1099 HydrophobicContact CB-CG 4.37Å; K1070-E1099 WeakPolarHBondContact CB-O 3.36Å; K1070-E1099 PolarHBondContact N-O 3.16Å
1100	W	90.6	Very high	84.2	Confident	17 Å²	17	57.4 Å²	57.4	6%	0.064	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.9	-179.7	-64.7	81.4	0	0	0	110.4	I394 K1069 L1079 V1120 P1122 L1125	I394-W1100 HydrophobicContact CB-CH2 4.22Å; I394-W1100 HydrophobicContact CD1-CH2 3.82Å; I394-W1100 HydrophobicContact CD1-CZ3 3.78Å; I394-W1100 HydrophobicContact CG1-CH2 3.88Å; I394-W1100 HydrophobicContact CG1-CZ3 4.31Å; K1069-W1100 HydrophobicContact CB-CD2 4.46Å; K1069-W1100 HydrophobicContact CB-CE3 4.3Å; K1069-W1100 HydrophobicContact CB-CZ3 4.38Å; K1069-W1100 HydrophobicContact CD-CH2 4.04Å; K1069-W1100 HydrophobicContact CD-CZ2 3.66Å; L1079-W1100 HydrophobicContact CD1-CE3 4.42Å; L1079-W1100 HydrophobicContact CD1-CZ3 3.81Å; L1079-W1100 HydrophobicContact CD2-CH2 4.49Å; L1079-W1100 HydrophobicContact CD2-CZ3 3.82Å; L1079-W1100 HydrophobicContact CG-CZ3 4.43Å; W1100-V1120 HydrophobicContact CB-CG2 4.15Å; W1100-V1120 PolarHBondContact O-N 3.37Å; W1100-P1122 HydrophobicContact CD2-CB 4.14Å; W1100-P1122 HydrophobicContact CE3-CB 4.5Å; W1100-P1122 HydrophobicContact CH2-CB 4.4Å; W1100-P1122 HydrophobicContact CZ2-CB 4.04Å; W1100-L1125 HydrophobicContact CE3-CD1 4.04Å; W1100-L1125 HydrophobicContact CZ3-CD1 4.25Å
1101	V	92.4	Very high	84.1	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150	179	-66.5	0	0	0	0	112	A1067 A1068 Y1076 P1098 M1114 V1117 C1118	A1067-V1101 WeakPolarHBondContact CA-O 3.01Å; A1068-V1101 HydrophobicContact CB-CG2 3.99Å; A1068-V1101 PolarHBondContact N-O 3.35Å; A1068-V1101 PolarHBondContact O-N 3.38Å; Y1076-V1101 HydrophobicContact CD1-CG2 3.79Å; Y1076-V1101 HydrophobicContact CE1-CG1 4.04Å; Y1076-V1101 HydrophobicContact CE1-CG2 3.76Å; P1098-V1101 HydrophobicContact CG-CG1 3.65Å; V1101-M1114 HydrophobicContact CG2-CE 4.13Å; V1101-M1114 HydrophobicContact CG2-SD 4.09Å; V1101-V1117 HydrophobicContact CB-CG1 3.62Å; V1101-V1117 HydrophobicContact CG1-CG1 3.75Å; V1101-V1117 HydrophobicContact CG2-CG1 4.19Å; V1101-C1118 WeakPolarHBondContact CA-O 3.49Å
1102	V	92.6	Very high	84.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.5	164.8	162.1	0	0	0	0	108.6	I1059 F1063 N1066 A1067 V1117 C1118 V1120 L1125	I1059-V1102 HydrophobicContact CG2-CG1 4.06Å; F1063-V1102 HydrophobicContact CB-CG1 3.39Å; F1063-V1102 HydrophobicContact CG-CG1 4.41Å; N1066-V1102 WeakPolarHBondContact O-CA 3.42Å; A1067-V1102 HydrophobicContact CB-CG2 4.1Å; V1102-V1117 WeakPolarHBondContact O-CA 3.3Å; V1102-C1118 PolarHBondContact N-O 3.03Å; V1102-C1118 PolarHBondContact O-N 3.42Å; V1102-V1120 HydrophobicContact CB-CG1 4.01Å; V1102-V1120 HydrophobicContact CG2-CG1 3.87Å; V1102-V1120 HydrophobicContact CG2-CG2 3.9Å; V1102-L1125 HydrophobicContact CG2-CD2 4.35Å
1103	Y	92.2	Very high	84.1	Confident	17 Å²	17	62.2 Å²	62.2	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.3	-176.1	58.8	-92.2	0	0	0	112.4	N1066 A1068 T1078 L1106 M1114	N1066-Y1103 HydrophobicContact CB-CD1 4.42Å; N1066-Y1103 HydrophobicContact CB-CD2 3.92Å; N1066-Y1103 HydrophobicContact CB-CE1 4.23Å; N1066-Y1103 HydrophobicContact CB-CE2 3.68Å; N1066-Y1103 HydrophobicContact CB-CG 4.28Å; N1066-Y1103 WeakPolarHBondContact CB-O 3.44Å; N1066-Y1103 PolarHBondContact ND2-O 3.09Å; N1066-Y1103 WeakPolarHBondContact O-CD1 3.48Å; N1066-Y1103 VanDerWaalsContact O-CE1 3.3Å; N1066-Y1103 WeakPolarHBondContact O-CE1 3.26Å; N1066-Y1103 PolarHBondContact O-N 3.19Å; A1068-Y1103 HydrophobicContact CB-CD1 4.48Å; A1068-Y1103 HydrophobicContact CB-CE1 4.18Å; T1078-Y1103 HydrophobicContact CG2-CE1 4.46Å; Y1103-L1106 HydrophobicContact CD2-CB 4.29Å; Y1103-L1106 HydrophobicContact CE2-CB 3.8Å; Y1103-M1114 HydrophobicContact CD1-CG 3.86Å; Y1103-M1114 HydrophobicContact CD1-SD 3.45Å; Y1103-M1114 WeakPolarHBondContact CD1-SD 3.42Å; Y1103-M1114 HydrophobicContact CD2-CG 4.4Å; Y1103-M1114 HydrophobicContact CE1-CG 4.36Å; Y1103-M1114 HydrophobicContact CE1-SD 3.98Å; Y1103-M1114 HydrophobicContact CG-CB 4.17Å; Y1103-M1114 HydrophobicContact CG-CG 3.89Å; Y1103-M1114 HydrophobicContact CG-SD 4.03Å
1104	H	89.5	Confident	84.3	Confident	46 Å²	46	62.1 Å²	62.1	21%	0.213	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-51.5	178.2	-176	35.1	0	0	0	112.5	F1063 N1066 R1115 E1116	F1063-H1104 AromaticContact CE1-ND1 3.36Å; F1063-H1104 WeakPolarHBondContact CE1-ND1 3.4Å; F1063-H1104 AromaticContact CZ-CE1 3.7Å; F1063-H1104 AromaticContact CZ-ND1 3.1Å; F1063-H1104 WeakPolarHBondContact CZ-ND1 3.3Å; N1066-H1104 PolarHBondContact ND2-O 2.53Å; N1066-H1104 VanDerWaalsContact ND2-O 3.17Å; H1104-R1115 PolarHBondContact N-O 3.48Å; H1104-R1115 VanDerWaalsContact N-O 3.11Å; H1104-E1116 HydrophobicContact CB-CB 3.82Å; H1104-E1116 PolarHBondContact N-O 3.49Å
1105	E	84.5	Confident	84.4	Confident	86 Å²	86	60.9 Å²	60.9	40%	0.402	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.4	-171	-172.7	-170.9	-137.3	0	0	109.1	V1107 R1115	E1105-V1107 HydrophobicContact CB-CG2 4.5Å; E1105-V1107 HydrophobicContact CG-CG2 3.55Å; E1105-V1107 WeakPolarHBondContact OE2-CG2 3.4Å; E1105-R1115 HydrophobicContact CB-CB 4.43Å; E1105-R1115 PolarHBondContact O-N 3.12Å; E1105-R1115 WeakPolarHBondContact OE2-CD 3.2Å; E1105-R1115 IonicContact OE2-CZ 3.31Å; E1105-R1115 IonicContact OE2-NH1 2.8Å; E1105-R1115 PolarHBondContact OE2-NH1 3.03Å; E1105-R1115 VanDerWaalsContact OE2-NH1 3.1Å
1106	L	84.9	Confident	84.9	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.6	169.7	-178.6	61	0	0	0	108.4	M823 T1078 V1085 Y1103 E1112 M1114	M823-L1106 HydrophobicContact CG-CD2 3.9Å; M823-L1106 HydrophobicContact CG-CG 4.28Å; M823-L1106 HydrophobicContact SD-CD2 3.76Å; M823-L1106 HydrophobicContact SD-CG 4.01Å; T1078-L1106 HydrophobicContact CG2-CD2 4.44Å; V1085-L1106 HydrophobicContact CB-CD1 4.05Å; V1085-L1106 HydrophobicContact CG1-CD1 3.66Å; V1085-L1106 HydrophobicContact CG1-CD2 3.85Å; V1085-L1106 HydrophobicContact CG1-CG 4.41Å; Y1103-L1106 HydrophobicContact CD2-CB 4.29Å; Y1103-L1106 HydrophobicContact CE2-CB 3.8Å; L1106-E1112 HydrophobicContact CD1-CB 4.2Å; L1106-M1114 HydrophobicContact CD1-CG 4.02Å
1107	V	77.6	Confident	85.4	Confident	19 Å²	19	48.7 Å²	48.7	12%	0.115	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.7	-173.3	-174.6	0	0	0	0	110.8	E1105 T1109 Y1113	E1105-V1107 HydrophobicContact CB-CG2 4.5Å; E1105-V1107 HydrophobicContact CG-CG2 3.55Å; E1105-V1107 WeakPolarHBondContact OE2-CG2 3.4Å; V1107-T1109 HydrophobicContact CG1-CG2 4.04Å; V1107-Y1113 PolarHBondContact N-O 2.94Å; V1107-Y1113 PolarHBondContact O-N 3.39Å
1108	M	73.7	Confident	85.8	Confident	92 Å²	92	44.5 Å²	44.5	45%	0.453	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130	169.3	-178.6	173.4	-81.8	0	0	110.5	M823 E1112	M823-M1108 HydrophobicContact CE-CE 4.1Å; M1108-E1112 HydrophobicContact CB-CG 4.39Å; M1108-E1112 HydrophobicContact CE-CG 3.96Å; M1108-E1112 WeakPolarHBondContact CE-OE1 3.32Å
1109	T	72.1	Confident	86.1	Confident	80 Å²	80	43.5 Å²	43.5	49%	0.491	22%	0.217	S	C	.	.	S	Bend	trans	-135.3	-116.1	174.4	60.1	0	0	0	0	109.1	V1107 K1111 Y1113	V1107-T1109 HydrophobicContact CG1-CG2 4.04Å; T1109-K1111 VanDerWaalsContact C-N 3.33Å; T1109-K1111 PolarHBondContact N-O 3.08Å; T1109-K1111 PolarHBondContact OG1-O 3.19Å; T1109-Y1113 WeakPolarHBondContact OG1-CD2 3.37Å; T1109-Y1113 WeakPolarHBondContact OG1-CE2 3.37Å
1110	T	75	Confident	86.2	Confident	135 Å²	135	39.8 Å²	39.8	83%	0.828	20%	0.201	S	C	*	.	S	Bend	trans	-79.8	-20.3	160.1	54.5	0	0	0	0	112.2
1111	K	80.7	Confident	86.1	Confident	94 Å²	94	42.1 Å²	42.1	41%	0.409	21%	0.212	S	C	.	.	S	Bend	trans	-139.7	166	167.4	-69.8	-166.8	171.3	-160.1	0	109.6	Y1086 T1109 Y1113	Y1086-K1111 HydrophobicContact CD2-CB 4.39Å; Y1086-K1111 HydrophobicContact CD2-CD 4.01Å; Y1086-K1111 HydrophobicContact CE2-CD 3.87Å; Y1086-K1111 HydrophobicContact CG-CD 4.44Å; Y1086-K1111 PolarHBondContact OH-NZ 3.31Å; T1109-K1111 VanDerWaalsContact C-N 3.33Å; T1109-K1111 PolarHBondContact N-O 3.08Å; T1109-K1111 PolarHBondContact OG1-O 3.19Å; K1111-Y1113 HydrophobicContact CB-CD2 4.41Å; K1111-Y1113 HydrophobicContact CB-CE2 3.88Å; K1111-Y1113 WeakPolarHBondContact O-CD2 3.47Å
1112	E	84.9	Confident	85.7	Confident	39 Å²	39	43.2 Å²	43.2	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	115.7	172.4	-69.5	166.8	-164.4	0	0	109.8	M823 V1085 Y1086 L1106 M1108	M823-E1112 HydrophobicContact SD-CG 4.19Å; V1085-E1112 HydrophobicContact CG1-CB 4.12Å; Y1086-E1112 PolarHBondContact N-O 3.35Å; L1106-E1112 HydrophobicContact CD1-CB 4.2Å; M1108-E1112 HydrophobicContact CB-CG 4.39Å; M1108-E1112 HydrophobicContact CE-CG 3.96Å; M1108-E1112 WeakPolarHBondContact CE-OE1 3.32Å
1113	Y	86.8	Confident	85.5	Confident	48 Å²	48	47.4 Å²	47.4	19%	0.188	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.3	-177.1	-71.4	-70.8	0	0	0	112.3	Y1086 H1088 V1107 T1109 K1111	Y1086-Y1113 CarbonylContact O-C 3.51Å; Y1086-Y1113 VanDerWaalsContact O-CA 3.29Å; Y1086-Y1113 WeakPolarHBondContact O-CA 3.49Å; H1088-Y1113 HydrophobicContact CB-CD1 4.45Å; H1088-Y1113 AromaticContact CD2-CG 3.83Å; V1107-Y1113 PolarHBondContact N-O 2.94Å; V1107-Y1113 PolarHBondContact O-N 3.39Å; T1109-Y1113 WeakPolarHBondContact OG1-CD2 3.37Å; T1109-Y1113 WeakPolarHBondContact OG1-CE2 3.37Å; K1111-Y1113 HydrophobicContact CB-CD2 4.41Å; K1111-Y1113 HydrophobicContact CB-CE2 3.88Å; K1111-Y1113 WeakPolarHBondContact O-CD2 3.47Å
1114	M	89.8	Confident	85.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.9	167.1	-64.1	-178	-69.1	0	0	109.9	A1068 Y1076 V1085 Y1086 I1087 H1088 V1101 Y1103 L1106 V1117	A1068-M1114 HydrophobicContact CB-SD 3.83Å; Y1076-M1114 HydrophobicContact CD1-CE 4.18Å; Y1076-M1114 HydrophobicContact CD2-CE 3.91Å; Y1076-M1114 HydrophobicContact CG-CE 3.68Å; V1085-M1114 HydrophobicContact CB-CG 4.15Å; V1085-M1114 HydrophobicContact CB-SD 4.5Å; V1085-M1114 HydrophobicContact CG2-CE 3.93Å; V1085-M1114 HydrophobicContact CG2-CG 3.97Å; V1085-M1114 HydrophobicContact CG2-SD 3.68Å; Y1086-M1114 PolarHBondContact O-N 3.48Å; I1087-M1114 HydrophobicContact CG1-CE 3.76Å; H1088-M1114 VanDerWaalsContact CB-O 3.27Å; H1088-M1114 WeakPolarHBondContact CB-O 3.49Å; H1088-M1114 PolarHBondContact N-O 3.32Å; V1101-M1114 HydrophobicContact CG2-CE 4.13Å; V1101-M1114 HydrophobicContact CG2-SD 4.09Å; Y1103-M1114 HydrophobicContact CD1-CG 3.86Å; Y1103-M1114 HydrophobicContact CD1-SD 3.45Å; Y1103-M1114 WeakPolarHBondContact CD1-SD 3.42Å; Y1103-M1114 HydrophobicContact CD2-CG 4.4Å; Y1103-M1114 HydrophobicContact CE1-CG 4.36Å; Y1103-M1114 HydrophobicContact CE1-SD 3.98Å; Y1103-M1114 HydrophobicContact CG-CB 4.17Å; Y1103-M1114 HydrophobicContact CG-CG 3.89Å; Y1103-M1114 HydrophobicContact CG-SD 4.03Å; L1106-M1114 HydrophobicContact CD1-CG 4.02Å; M1114-V1117 HydrophobicContact CB-CG2 4.02Å
1115	R	87.1	Confident	85.1	Confident	68 Å²	68	45.2 Å²	45.2	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.1	176.8	-70.9	179.7	172.7	171.9	-0.5	111.8	H1088 H1104 E1105	H1088-R1115 HydrophobicContact CB-CG 4.21Å; H1104-R1115 PolarHBondContact N-O 3.48Å; H1104-R1115 VanDerWaalsContact N-O 3.11Å; E1105-R1115 HydrophobicContact CB-CB 4.43Å; E1105-R1115 PolarHBondContact O-N 3.12Å; E1105-R1115 WeakPolarHBondContact OE2-CD 3.2Å; E1105-R1115 IonicContact OE2-CZ 3.31Å; E1105-R1115 IonicContact OE2-NH1 2.8Å; E1105-R1115 PolarHBondContact OE2-NH1 3.03Å; E1105-R1115 VanDerWaalsContact OE2-NH1 3.1Å
1116	E	89.6	Confident	85	Confident	43 Å²	43	41.8 Å²	41.8	20%	0.201	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.4	74.1	179.9	-63.9	-68	145.7	0	0	109.9	L964 D993 H994 L997 H1104	L964-E1116 HydrophobicContact CD2-CB 3.97Å; L964-E1116 HydrophobicContact CD2-CG 3.8Å; D993-E1116 WeakPolarHBondContact CB-OE2 3.34Å; H994-E1116 PolarHBondContact CE1-O 3.4Å; H994-E1116 IonicContact ND1-OE2 2.7Å; L997-E1116 WeakPolarHBondContact CD1-OE2 3.32Å; H1104-E1116 HydrophobicContact CB-CB 3.82Å; H1104-E1116 PolarHBondContact N-O 3.49Å
1117	V	92.9	Very high	85	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.1	-167.3	-169.5	0	0	0	0	110.5	G992 D993 L1093 V1101 V1102 M1114	G992-V1117 CarbonylContact C-O 3.6Å; G992-V1117 VanDerWaalsContact CA-O 3.29Å; G992-V1117 WeakPolarHBondContact CA-O 3.33Å; D993-V1117 PolarHBondContact N-O 3.2Å; D993-V1117 PolarHBondContact OD2-N 3.07Å; L1093-V1117 HydrophobicContact CD1-CB 4.14Å; L1093-V1117 HydrophobicContact CD1-CG1 3.95Å; L1093-V1117 WeakPolarHBondContact CD1-O 3.39Å; V1101-V1117 HydrophobicContact CB-CG1 3.62Å; V1101-V1117 HydrophobicContact CG1-CG1 3.75Å; V1101-V1117 HydrophobicContact CG2-CG1 4.19Å; V1102-V1117 WeakPolarHBondContact O-CA 3.3Å; M1114-V1117 HydrophobicContact CB-CG2 4.02Å
1118	C	92.5	Very high	85.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.3	177.1	-171.1	0	0	0	0	110.4	I1059 V1101 V1102	I1059-C1118 HydrophobicContact CG2-CB 4.23Å; V1101-C1118 WeakPolarHBondContact CA-O 3.49Å; V1102-C1118 PolarHBondContact N-O 3.03Å; V1102-C1118 PolarHBondContact O-N 3.42Å
1119	A	92.2	Very high	85.3	Confident	19 Å²	19	40.1 Å²	40.1	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	139.7	167.6	0	0	0	0	0	109.9	E991 Q1056 P1098	E991-A1119 PolarHBondContact O-N 2.71Å; Q1056-A1119 PolarHBondContact NE2-O 2.98Å; P1098-A1119 HydrophobicContact CB-CB 4.26Å; P1098-A1119 HydrophobicContact CG-CB 3.94Å
1120	V	89.6	Confident	85.5	Confident	13 Å²	13	39 Å²	39	8%	0.079	20%	0.197	C	C	.	.			trans	-140.7	158.8	177.8	-64.8	0	0	0	0	111.6	C1060 W1100 V1102 W1124	C1060-V1120 HydrophobicContact CB-CG1 4.46Å; W1100-V1120 HydrophobicContact CB-CG2 4.15Å; W1100-V1120 PolarHBondContact O-N 3.37Å; V1102-V1120 HydrophobicContact CB-CG1 4.01Å; V1102-V1120 HydrophobicContact CG2-CG1 3.87Å; V1102-V1120 HydrophobicContact CG2-CG2 3.9Å; V1120-W1124 HydrophobicContact CB-CE3 4.14Å; V1120-W1124 HydrophobicContact CB-CZ3 4.29Å; V1120-W1124 HydrophobicContact CG1-CE3 4.44Å; V1120-W1124 HydrophobicContact CG1-CZ3 4.49Å
1121	E	87.5	Confident	85.4	Confident	66 Å²	66	36.6 Å²	36.6	31%	0.308	19%	0.19	S	C	.	.			trans	-95.8	141.7	170.4	-61.4	-179.1	164.2	0	0	110.9	K1123 W1124	E1121-K1123 PolarHBondContact O-N 3.19Å; E1121-W1124 HydrophobicContact CB-CD2 3.91Å; E1121-W1124 HydrophobicContact CB-CE3 4.32Å; E1121-W1124 HydrophobicContact CB-CG 4.29Å; E1121-W1124 HydrophobicContact CB-CH2 4.43Å; E1121-W1124 HydrophobicContact CB-CZ2 4.02Å; E1121-W1124 VanDerWaalsContact CD-CZ2 3.43Å; E1121-W1124 HydrophobicContact CG-CD2 4.44Å; E1121-W1124 HydrophobicContact CG-CH2 3.94Å; E1121-W1124 HydrophobicContact CG-CZ2 3.63Å; E1121-W1124 HydrophobicContact CG-CZ3 4.45Å; E1121-W1124 PolarHBondContact O-N 3.28Å; E1121-W1124 VanDerWaalsContact O-N 3.17Å; E1121-W1124 VanDerWaalsContact OE2-CE2 3.31Å; E1121-W1124 VanDerWaalsContact OE2-CZ2 3.31Å; E1121-W1124 WeakPolarHBondContact OE2-CZ2 3.34Å; E1121-W1124 PolarHBondContact OE2-NE1 2.92Å; E1121-W1124 VanDerWaalsContact OE2-NE1 3.08Å
1122	P	85.1	Confident	85.2	Confident	23 Å²	23	33.6 Å²	33.6	15%	0.149	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-31	-178.7	23.2	-33.1	0	0	0	112.9	I392 I394 W1100 W1124 L1125	I392-P1122 HydrophobicContact CB-CG 4.3Å; I392-P1122 HydrophobicContact CD1-CG 4.44Å; I392-P1122 HydrophobicContact CG2-CB 4.34Å; I394-P1122 HydrophobicContact CD1-CB 3.8Å; I394-P1122 WeakPolarHBondContact CD1-O 3.23Å; I394-P1122 HydrophobicContact CG1-CB 4.44Å; W1100-P1122 HydrophobicContact CD2-CB 4.14Å; W1100-P1122 HydrophobicContact CE3-CB 4.5Å; W1100-P1122 HydrophobicContact CH2-CB 4.4Å; W1100-P1122 HydrophobicContact CZ2-CB 4.04Å; P1122-W1124 PolarHBondContact O-N 3.42Å; P1122-L1125 PolarHBondContact O-N 2.91Å
1123	K	86.8	Confident	85	Confident	89 Å²	89	31.9 Å²	31.9	39%	0.387	17%	0.169	S	C	.	.	H	α-helix	trans	-55.5	-38.4	177	-62	-178.8	-177.2	178.3	0	111.7	D388 I392 E1121 E1127	D388-K1123 IonicContact OD1-NZ 3.97Å; D388-K1123 PolarHBondContact OD1-NZ 3.11Å; D388-K1123 IonicContact OD2-NZ 2.67Å; I392-K1123 HydrophobicContact CD1-CD 4.33Å; I392-K1123 HydrophobicContact CD1-CG 3.88Å; E1121-K1123 PolarHBondContact O-N 3.19Å; K1123-E1127 PolarHBondContact O-N 2.92Å
1124	W	88	Confident	84.5	Confident	16 Å²	16	34.7 Å²	34.7	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-72	-32.2	-178.5	-50.3	-19.8	0	0	0	113.3	Q1056 K1057 V1120 E1121 P1122 V1126 E1127 F1128	Q1056-W1124 HydrophobicContact CB-CH2 4.11Å; Q1056-W1124 HydrophobicContact CB-CZ3 3.63Å; K1057-W1124 HydrophobicContact CG-CD2 4.06Å; K1057-W1124 HydrophobicContact CG-CE3 4.43Å; K1057-W1124 HydrophobicContact CG-CG 4.24Å; V1120-W1124 HydrophobicContact CB-CE3 4.14Å; V1120-W1124 HydrophobicContact CB-CZ3 4.29Å; V1120-W1124 HydrophobicContact CG1-CE3 4.44Å; V1120-W1124 HydrophobicContact CG1-CZ3 4.49Å; E1121-W1124 HydrophobicContact CB-CD2 3.91Å; E1121-W1124 HydrophobicContact CB-CE3 4.32Å; E1121-W1124 HydrophobicContact CB-CG 4.29Å; E1121-W1124 HydrophobicContact CB-CH2 4.43Å; E1121-W1124 HydrophobicContact CB-CZ2 4.02Å; E1121-W1124 VanDerWaalsContact CD-CZ2 3.43Å; E1121-W1124 HydrophobicContact CG-CD2 4.44Å; E1121-W1124 HydrophobicContact CG-CH2 3.94Å; E1121-W1124 HydrophobicContact CG-CZ2 3.63Å; E1121-W1124 HydrophobicContact CG-CZ3 4.45Å; E1121-W1124 PolarHBondContact O-N 3.28Å; E1121-W1124 VanDerWaalsContact O-N 3.17Å; E1121-W1124 VanDerWaalsContact OE2-CE2 3.31Å; E1121-W1124 VanDerWaalsContact OE2-CZ2 3.31Å; E1121-W1124 WeakPolarHBondContact OE2-CZ2 3.34Å; E1121-W1124 PolarHBondContact OE2-NE1 2.92Å; E1121-W1124 VanDerWaalsContact OE2-NE1 3.08Å; P1122-W1124 PolarHBondContact O-N 3.42Å; W1124-V1126 VanDerWaalsContact C-N 3.31Å; W1124-V1126 PolarHBondContact O-N 3.11Å; W1124-E1127 PolarHBondContact O-N 3.12Å; W1124-F1128 HydrophobicContact CB-CD2 4.27Å; W1124-F1128 HydrophobicContact CB-CE2 4.37Å; W1124-F1128 VanDerWaalsContact O-CD2 3.28Å; W1124-F1128 WeakPolarHBondContact O-CD2 3.43Å; W1124-F1128 PolarHBondContact O-N 2.98Å
1125	L	84.9	Confident	83.9	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-41.2	179.8	-75.3	166.4	0	0	0	111.1	I394 C1060 F1064 A1067 L1079 W1100 V1102 P1122 A1129 F1133	I394-L1125 HydrophobicContact CD1-CB 3.97Å; I394-L1125 HydrophobicContact CD1-CD1 3.94Å; C1060-L1125 VanDerWaalsContact SG-CD2 3.58Å; F1064-L1125 HydrophobicContact CB-CD2 4.18Å; A1067-L1125 HydrophobicContact CB-CD1 4.16Å; A1067-L1125 HydrophobicContact CB-CD2 4Å; L1079-L1125 HydrophobicContact CD1-CD1 4.21Å; W1100-L1125 HydrophobicContact CE3-CD1 4.04Å; W1100-L1125 HydrophobicContact CZ3-CD1 4.25Å; V1102-L1125 HydrophobicContact CG2-CD2 4.35Å; P1122-L1125 PolarHBondContact O-N 2.91Å; L1125-A1129 PolarHBondContact O-N 2.74Å; L1125-A1129 VanDerWaalsContact O-N 3.15Å; L1125-F1133 HydrophobicContact CB-CD2 4.03Å; L1125-F1133 HydrophobicContact CB-CE2 4.19Å; L1125-F1133 HydrophobicContact CD2-CE2 3.97Å
1126	V	84.5	Confident	83	Confident	13 Å²	13	37.5 Å²	37.5	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-76.4	-33.1	177.2	-168.8	0	0	0	0	111.7	I394 W1124 P1130 F1133 F1135	I394-V1126 HydrophobicContact CD1-CG2 4.05Å; I394-V1126 HydrophobicContact CG1-CG2 4.1Å; I394-V1126 HydrophobicContact CG2-CG2 4.19Å; W1124-V1126 VanDerWaalsContact C-N 3.31Å; W1124-V1126 PolarHBondContact O-N 3.11Å; V1126-P1130 WeakPolarHBondContact O-CB 3.33Å; V1126-P1130 WeakPolarHBondContact O-CD 3.21Å; V1126-F1133 HydrophobicContact CG2-CB 4.22Å; V1126-F1135 HydrophobicContact CB-CD1 4.41Å; V1126-F1135 HydrophobicContact CB-CD2 4.38Å; V1126-F1135 HydrophobicContact CB-CE1 3.93Å; V1126-F1135 HydrophobicContact CB-CE2 3.9Å; V1126-F1135 HydrophobicContact CB-CZ 3.65Å; V1126-F1135 HydrophobicContact CG1-CD2 3.77Å; V1126-F1135 HydrophobicContact CG1-CE1 4.37Å; V1126-F1135 HydrophobicContact CG1-CE2 3.61Å; V1126-F1135 HydrophobicContact CG1-CG 4.22Å; V1126-F1135 HydrophobicContact CG1-CZ 3.93Å; V1126-F1135 HydrophobicContact CG2-CD1 3.85Å; V1126-F1135 HydrophobicContact CG2-CE1 3.64Å; V1126-F1135 HydrophobicContact CG2-CE2 4.38Å; V1126-F1135 HydrophobicContact CG2-CG 4.31Å; V1126-F1135 HydrophobicContact CG2-CZ 3.93Å
1127	E	83	Confident	82	Confident	63 Å²	63	39 Å²	39	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-49.5	174.8	-172.2	-168.8	164.2	0	0	112.3	K1057 K1123 W1124	K1057-E1127 IonicContact NZ-OE1 2.77Å; K1057-E1127 IonicContact NZ-OE2 3.62Å; K1123-E1127 PolarHBondContact O-N 2.92Å; W1124-E1127 PolarHBondContact O-N 3.12Å
1128	F	80.6	Confident	80.7	Confident	24 Å²	24	44.4 Å²	44.4	11%	0.105	24%	0.243	C	C	.	.	H	α-helix	trans	-87.3	-19	-175.3	-70.6	-70.4	0	0	0	114.7	L326 L951 K1057 W1124	L326-F1128 HydrophobicContact CD2-CD1 4.44Å; L326-F1128 HydrophobicContact CD2-CE1 4.02Å; L951-F1128 HydrophobicContact CD1-CE1 4.44Å; L951-F1128 HydrophobicContact CD1-CZ 4.33Å; K1057-F1128 HydrophobicContact CB-CE2 3.65Å; K1057-F1128 HydrophobicContact CB-CZ 3.78Å; K1057-F1128 HydrophobicContact CD-CE2 4.01Å; K1057-F1128 HydrophobicContact CD-CZ 4.02Å; K1057-F1128 HydrophobicContact CG-CE2 3.83Å; K1057-F1128 HydrophobicContact CG-CZ 4.19Å; W1124-F1128 HydrophobicContact CB-CD2 4.27Å; W1124-F1128 HydrophobicContact CB-CE2 4.37Å; W1124-F1128 VanDerWaalsContact O-CD2 3.28Å; W1124-F1128 WeakPolarHBondContact O-CD2 3.43Å; W1124-F1128 PolarHBondContact O-N 2.98Å
1129	A	78.5	Confident	79.6	Confident	9 Å²	9	50 Å²	50	7%	0.074	28%	0.277	C	S	.	.			trans	-135.8	53.2	-179.2	0	0	0	0	0	114.4	F1064 L1125 A1131 F1132 F1133	F1064-A1129 HydrophobicContact CB-CB 3.95Å; F1064-A1129 HydrophobicContact CD1-CB 4.23Å; F1064-A1129 HydrophobicContact CD2-CB 3.5Å; F1064-A1129 HydrophobicContact CE2-CB 4.07Å; F1064-A1129 HydrophobicContact CG-CB 3.61Å; L1125-A1129 PolarHBondContact O-N 2.74Å; L1125-A1129 VanDerWaalsContact O-N 3.15Å; A1129-A1131 PolarHBondContact O-N 3.07Å; A1129-F1132 HydrophobicContact CB-CB 4.34Å; A1129-F1132 PolarHBondContact O-N 3.33Å; A1129-F1133 HydrophobicContact CB-CD2 4.2Å; A1129-F1133 PolarHBondContact O-N 3.47Å
1130	P	76.7	Confident	78.3	Confident	57 Å²	57	56.1 Å²	56.1	37%	0.37	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.6	-178.4	29.2	-36.8	0	0	0	114.5	I325 V1126 F1133	I325-P1130 HydrophobicContact CD1-CG 4.16Å; V1126-P1130 WeakPolarHBondContact O-CB 3.33Å; V1126-P1130 WeakPolarHBondContact O-CD 3.21Å; P1130-F1133 CarbonylContact C-O 3.55Å; P1130-F1133 WeakPolarHBondContact CA-O 3.32Å
1131	A	72.7	Confident	77.1	Confident	84 Å²	84	61 Å²	61	69%	0.694	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-20	171.5	0	0	0	0	0	113.1	V397 A1129	V397-A1131 WeakPolarHBondContact CB-O 3.2Å; V397-A1131 WeakPolarHBondContact CG1-O 3.34Å; V397-A1131 WeakPolarHBondContact CG2-O 3.43Å; A1129-A1131 PolarHBondContact O-N 3.07Å
1132	F	76.1	Confident	76.1	Confident	31 Å²	31	58.5 Å²	58.5	14%	0.136	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-31.8	-176.8	-168.8	-98.5	0	0	0	112.2	L396 V397 F1064 R1065 V1080 A1129	L396-F1132 HydrophobicContact CD2-CD1 4.19Å; L396-F1132 HydrophobicContact CD2-CE1 3.59Å; L396-F1132 HydrophobicContact CD2-CZ 3.98Å; V397-F1132 PolarHBondContact N-O 3.33Å; F1064-F1132 HydrophobicContact CD2-CB 4.34Å; F1064-F1132 HydrophobicContact CD2-CD1 4.11Å; F1064-F1132 HydrophobicContact CD2-CG 4.32Å; F1064-F1132 HydrophobicContact CE2-CB 4.11Å; F1064-F1132 HydrophobicContact CE2-CD1 4.28Å; F1064-F1132 HydrophobicContact CE2-CG 4.09Å; R1065-F1132 HydrophobicContact CG-CZ 4.3Å; V1080-F1132 HydrophobicContact CG2-CE1 4.11Å; V1080-F1132 HydrophobicContact CG2-CZ 3.94Å; A1129-F1132 HydrophobicContact CB-CB 4.34Å; A1129-F1132 PolarHBondContact O-N 3.33Å
1133	F	80.4	Confident	75.4	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.009	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.5	178.4	-66.6	-53.5	0	0	0	111.8	I394 E395 L396 F1064 L1079 L1125 V1126 A1129 P1130	I394-F1133 HydrophobicContact CG2-CB 3.64Å; I394-F1133 HydrophobicContact CG2-CD1 3.42Å; I394-F1133 VanDerWaalsContact CG2-CD1 3.42Å; I394-F1133 HydrophobicContact CG2-CE1 4.21Å; I394-F1133 HydrophobicContact CG2-CG 3.68Å; E395-F1133 WeakPolarHBondContact O-CA 3.39Å; L396-F1133 HydrophobicContact CD2-CD1 4.04Å; L396-F1133 HydrophobicContact CD2-CE1 3.69Å; F1064-F1133 HydrophobicContact CB-CE2 4.11Å; F1064-F1133 HydrophobicContact CD2-CE2 4.33Å; F1064-F1133 VanDerWaalsContact O-CE2 3.28Å; F1064-F1133 WeakPolarHBondContact O-CE2 3.49Å; F1064-F1133 WeakPolarHBondContact O-CZ 3.46Å; L1079-F1133 HydrophobicContact CB-CE1 4.36Å; L1079-F1133 HydrophobicContact CD1-CE1 3.92Å; L1079-F1133 HydrophobicContact CD1-CZ 3.85Å; L1125-F1133 HydrophobicContact CB-CD2 4.03Å; L1125-F1133 HydrophobicContact CB-CE2 4.19Å; L1125-F1133 HydrophobicContact CD2-CE2 3.97Å; V1126-F1133 HydrophobicContact CG2-CB 4.22Å; A1129-F1133 HydrophobicContact CB-CD2 4.2Å; A1129-F1133 PolarHBondContact O-N 3.47Å; P1130-F1133 CarbonylContact C-O 3.55Å; P1130-F1133 WeakPolarHBondContact CA-O 3.32Å
1134	R	77.1	Confident	74.5	Confident	107 Å²	107	64.6 Å²	64.6	40%	0.404	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.5	168.8	-70.9	170.5	-175.3	168.4	2.9	108.7	E395 V397 E399 G1136	E395-R1134 PolarHBondContact N-O 3.42Å; E395-R1134 PolarHBondContact O-N 3.4Å; V397-R1134 HydrophobicContact CG2-CG 3.68Å; E399-R1134 IonicContact OE1-CZ 2.62Å; E399-R1134 VanDerWaalsContact OE1-CZ 3.31Å; E399-R1134 IonicContact OE1-NH1 3.04Å; E399-R1134 PolarHBondContact OE1-NH1 2.89Å; E399-R1134 IonicContact OE1-NH2 2.71Å; E399-R1134 PolarHBondContact OE1-NH2 2.68Å; E399-R1134 IonicContact OE2-CZ 2.62Å; E399-R1134 IonicContact OE2-NH1 2.82Å; E399-R1134 IonicContact OE2-NH2 2.82Å; E399-R1134 PolarHBondContact OE2-NH2 2.77Å; R1134-G1136 PolarHBondContact O-N 2.96Å
1135	F	76.6	Confident	73.7	Confident	112 Å²	112	66.6 Å²	66.6	49%	0.491	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.5	165.9	-67.3	-65.6	0	0	0	109.2	I392 V1126	I392-F1135 HydrophobicContact CG2-CD1 3.81Å; I392-F1135 HydrophobicContact CG2-CE1 3.89Å; V1126-F1135 HydrophobicContact CB-CD1 4.41Å; V1126-F1135 HydrophobicContact CB-CD2 4.38Å; V1126-F1135 HydrophobicContact CB-CE1 3.93Å; V1126-F1135 HydrophobicContact CB-CE2 3.9Å; V1126-F1135 HydrophobicContact CB-CZ 3.65Å; V1126-F1135 HydrophobicContact CG1-CD2 3.77Å; V1126-F1135 HydrophobicContact CG1-CE1 4.37Å; V1126-F1135 HydrophobicContact CG1-CE2 3.61Å; V1126-F1135 HydrophobicContact CG1-CG 4.22Å; V1126-F1135 HydrophobicContact CG1-CZ 3.93Å; V1126-F1135 HydrophobicContact CG2-CD1 3.85Å; V1126-F1135 HydrophobicContact CG2-CE1 3.64Å; V1126-F1135 HydrophobicContact CG2-CE2 4.38Å; V1126-F1135 HydrophobicContact CG2-CG 4.31Å; V1126-F1135 HydrophobicContact CG2-CZ 3.93Å
1136	G	68.2	Low	73.2	Confident	16 Å²	16	74.5 Å²	74.5	17%	0.165	38%	0.383	C	S	.	.			trans	-59.6	140.1	174	0	0	0	0	0	110.2	E393 R1134 P1138	E393-G1136 PolarHBondContact O-N 3.41Å; R1134-G1136 PolarHBondContact O-N 2.96Å; G1136-P1138 VanDerWaalsContact O-CD 3.3Å; G1136-P1138 WeakPolarHBondContact O-CD 3.22Å
1137	N	67.5	Low	72.8	Confident	75 Å²	75	76.5 Å²	76.5	40%	0.401	41%	0.407	S	S	.	.			trans	-80.9	113.9	-177.2	-173.9	-41.2	0	0	0	109.8	T1139 K1140	N1137-T1139 PolarHBondContact O-N 3.18Å; N1137-T1139 WeakPolarHBondContact OD1-CB 3.33Å; N1137-T1139 PolarHBondContact OD1-N 3.01Å; N1137-T1139 PolarHBondContact OD1-OG1 3.41Å; N1137-K1140 PolarHBondContact O-N 3.3Å; N1137-K1140 VanDerWaalsContact O-O 3.07Å
1138	P	67	Low	72.4	Confident	112 Å²	112	78.4 Å²	78.4	73%	0.727	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.6	-173.5	24.5	-34.8	0	0	0	113.8	G1136 K1140	G1136-P1138 VanDerWaalsContact O-CD 3.3Å; G1136-P1138 WeakPolarHBondContact O-CD 3.22Å; P1138-K1140 VanDerWaalsContact C-N 3.33Å
1139	T	67.7	Low	72.2	Confident	118 Å²	118	86.3 Å²	86.3	72%	0.724	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.2	173.9	70.7	0	0	0	0	114.4	N1137	N1137-T1139 PolarHBondContact O-N 3.18Å; N1137-T1139 WeakPolarHBondContact OD1-CB 3.33Å; N1137-T1139 PolarHBondContact OD1-N 3.01Å; N1137-T1139 PolarHBondContact OD1-OG1 3.41Å
1140	K	65.6	Low	72.3	Confident	148 Å²	148	93.7 Å²	93.7	64%	0.643	49%	0.486	S	S	*	.	S	Bend	trans	-137.5	120.6	-176.1	-67.5	-178.4	-178.4	176.2	0	111.4	N1137 P1138 S1142	N1137-K1140 PolarHBondContact O-N 3.3Å; N1137-K1140 VanDerWaalsContact O-O 3.07Å; P1138-K1140 VanDerWaalsContact C-N 3.33Å; K1140-S1142 PolarHBondContact O-N 2.7Å
1141	L	63.9	Low	72.4	Confident	115 Å²	115	95.9 Å²	95.9	60%	0.602	49%	0.491	S	S	*	.			trans	-60	119.2	172.1	-164.5	73.8	0	0	0	110.5	K1145 K1146	L1141-K1145 HydrophobicContact CD1-CB 3.59Å; L1141-K1145 HydrophobicContact CD1-CD 4.14Å; L1141-K1145 HydrophobicContact CD1-CG 4.5Å; L1141-K1145 HydrophobicContact CG-CB 3.86Å; L1141-K1146 HydrophobicContact CD2-CB 3.98Å; L1141-K1146 HydrophobicContact CD2-CG 4.47Å; L1141-K1146 HydrophobicContact CG-CB 4.45Å
1142	S	66.3	Low	72.8	Confident	14 Å²	14	95.2 Å²	95.2	10%	0.098	48%	0.48	C	S	.	.			trans	-56	155.3	179.3	-177.4	0	0	0	0	112.3	E393 E395 K1140 F1144 K1145 K1146	E393-S1142 VanDerWaalsContact OE2-CB 3.3Å; E393-S1142 WeakPolarHBondContact OE2-CB 3.41Å; E395-S1142 WeakPolarHBondContact OE1-CA 3.47Å; E395-S1142 WeakPolarHBondContact OE1-CB 3.26Å; E395-S1142 PolarHBondContact OE1-OG 3.17Å; K1140-S1142 PolarHBondContact O-N 2.7Å; S1142-F1144 PolarHBondContact O-N 3.49Å; S1142-F1144 VanDerWaalsContact O-N 3.15Å; S1142-F1144 PolarHBondContact OG-N 2.68Å; S1142-K1145 PolarHBondContact O-N 2.67Å; S1142-K1146 VanDerWaalsContact O-CB 3.28Å; S1142-K1146 WeakPolarHBondContact O-CB 3.36Å; S1142-K1146 PolarHBondContact O-N 3.45Å
1143	K	70.3	Confident	73.2	Confident	141 Å²	141	101.9 Å²	101.9	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-50.4	-37.9	171.7	-63.6	-173.9	-170.8	-179.7	0	111.5	E398 G1147	E398-K1143 IonicContact OE1-NZ 2.59Å; E398-K1143 PolarHBondContact OE1-NZ 3.5Å; E398-K1143 IonicContact OE2-NZ 3.01Å; E398-K1143 PolarHBondContact OE2-NZ 3.45Å; K1143-G1147 PolarHBondContact O-N 2.89Å
1144	F	68.5	Low	73.2	Confident	99 Å²	99	109.8 Å²	109.8	43%	0.434	55%	0.547	S	S	.	.	H	α-helix	trans	-66.9	-59.7	178.5	-179.4	-113.6	0	0	0	112.2	S1142 K1146 G1147 Q1148	S1142-F1144 PolarHBondContact O-N 3.49Å; S1142-F1144 VanDerWaalsContact O-N 3.15Å; S1142-F1144 PolarHBondContact OG-N 2.68Å; F1144-K1146 PolarHBondContact O-N 3.23Å; F1144-K1146 VanDerWaalsContact O-N 3.16Å; F1144-G1147 WeakPolarHBondContact O-CA 3.39Å; F1144-G1147 PolarHBondContact O-N 2.94Å; F1144-Q1148 PolarHBondContact O-N 3.47Å
1145	K	70.9	Confident	73.6	Confident	58 Å²	58	107.8 Å²	107.8	25%	0.252	55%	0.545	S	S	.	.	H	α-helix	trans	-58.2	-29.9	177.1	-76.4	-169.7	177.8	170	0	112.7	D391 E393 L1141 S1142 G1147	D391-K1145 IonicContact OD2-NZ 3.11Å; D391-K1145 PolarHBondContact OD2-NZ 3.47Å; E393-K1145 VanDerWaalsContact CD-NZ 3.33Å; E393-K1145 VanDerWaalsContact OE1-CD 3.27Å; E393-K1145 WeakPolarHBondContact OE1-CD 3.35Å; E393-K1145 WeakPolarHBondContact OE1-CE 3.44Å; E393-K1145 IonicContact OE1-NZ 2.65Å; E393-K1145 PolarHBondContact OE1-NZ 2.91Å; E393-K1145 WeakPolarHBondContact OE2-CD 3.31Å; L1141-K1145 HydrophobicContact CD1-CB 3.59Å; L1141-K1145 HydrophobicContact CD1-CD 4.14Å; L1141-K1145 HydrophobicContact CD1-CG 4.5Å; L1141-K1145 HydrophobicContact CG-CB 3.86Å; S1142-K1145 PolarHBondContact O-N 2.67Å; K1145-G1147 VanDerWaalsContact C-N 3.35Å
1146	K	75.5	Confident	74	Confident	166 Å²	166	110.4 Å²	110.4	72%	0.722	56%	0.556	S	S	*	*	H	α-helix	trans	-70.4	-24.8	173.4	-170.2	177.2	179.1	-177.2	0	114.1	L1141 S1142 F1144	L1141-K1146 HydrophobicContact CD2-CB 3.98Å; L1141-K1146 HydrophobicContact CD2-CG 4.47Å; L1141-K1146 HydrophobicContact CG-CB 4.45Å; S1142-K1146 VanDerWaalsContact O-CB 3.28Å; S1142-K1146 WeakPolarHBondContact O-CB 3.36Å; S1142-K1146 PolarHBondContact O-N 3.45Å; F1144-K1146 PolarHBondContact O-N 3.23Å; F1144-K1146 VanDerWaalsContact O-N 3.16Å
1147	G	75	Confident	74.5	Confident	56 Å²	56	119.7 Å²	119.7	58%	0.577	59%	0.587	S	S	*	*	H	α-helix	trans	-88.1	-19.4	176.9	0	0	0	0	0	114.6	K1143 F1144 K1145	K1143-G1147 PolarHBondContact O-N 2.89Å; F1144-G1147 WeakPolarHBondContact O-CA 3.39Å; F1144-G1147 PolarHBondContact O-N 2.94Å; K1145-G1147 VanDerWaalsContact C-N 3.35Å
1148	Q	74.5	Confident	74.9	Confident	103 Å²	103	121.7 Å²	121.7	48%	0.481	59%	0.594	S	S	.	*			trans	-62.7	150.6	180	-71.4	-174.9	-7.2	0	0	112.7	F1144	F1144-Q1148 PolarHBondContact O-N 3.47Å
1149	K	77.7	Confident	75.5	Confident	190 Å²	190	121.4 Å²	121.4	83%	0.826	59%	0.587	S	S	*	*			trans	-128.2	136.1	175	-65.7	170.6	-172	161.6	0	108.4
1150	I	80.5	Confident	76	Confident	164 Å²	164	118.9 Å²	118.9	84%	0.841	57%	0.571	S	S	*	*			trans	-101.5	129.5	176.5	-56.5	170	0	0	0	107.7
1151	E	77.6	Confident	76.8	Confident	102 Å²	102	114.2 Å²	114.2	48%	0.477	55%	0.553	S	S	.	*			trans	-113.4	148.4	170.9	-57	-146.6	136.3	0	0	109.6	R1164	E1151-R1164 IonicContact OE1-CZ 2.68Å; E1151-R1164 IonicContact OE1-NH2 3.61Å; E1151-R1164 PolarHBondContact OE1-NH2 3.38Å
1152	P	82.6	Confident	77.3	Confident	70 Å²	70	110.1 Å²	110.1	46%	0.455	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-69.8	162.3	177.9	30.4	-35.5	0	0	0	111.7	Y1154 W1163	P1152-Y1154 PolarHBondContact O-N 3.17Å; P1152-W1163 HydrophobicContact CG-CD2 4.18Å; P1152-W1163 HydrophobicContact CG-CG 4.34Å; P1152-W1163 HydrophobicContact CG-CZ2 3.97Å
1153	L	83	Confident	78	Confident	171 Å²	171	116 Å²	116	90%	0.895	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-54.6	137.5	175.9	-63.1	175.1	0	0	0	111.4	N1155	L1153-N1155 PolarHBondContact O-N 3.34Å
1154	Y	82.1	Confident	78.6	Confident	169 Å²	169	113 Å²	113	66%	0.663	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-65.6	116.6	-177.6	175.7	-97.3	0	0	0	111.8	P1152 K1156 V1160	P1152-Y1154 PolarHBondContact O-N 3.17Å; Y1154-K1156 HydrophobicContact CE1-CB 4.13Å; Y1154-V1160 HydrophobicContact CD2-CG2 3.83Å; Y1154-V1160 HydrophobicContact CE2-CG2 3.78Å
1155	N	84.5	Confident	79.1	Confident	65 Å²	65	114.4 Å²	114.4	35%	0.348	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-99.1	116.3	172.3	-179.6	6.2	0	0	0	109.8	L1153 Y1157 E1158	L1153-N1155 PolarHBondContact O-N 3.34Å; N1155-Y1157 PolarHBondContact O-N 3.3Å; N1155-Y1157 VanDerWaalsContact O-N 3.15Å; N1155-Y1157 WeakPolarHBondContact OD1-CD2 3.48Å; N1155-Y1157 PolarHBondContact OD1-N 3.42Å; N1155-Y1157 VanDerWaalsContact OD1-N 3.08Å; N1155-E1158 WeakPolarHBondContact ND2-CG 3.36Å; N1155-E1158 PolarHBondContact ND2-OE2 3.17Å; N1155-E1158 PolarHBondContact O-N 3.46Å; N1155-E1158 VanDerWaalsContact O-O 3.11Å
1156	K	84.5	Confident	79.5	Confident	166 Å²	166	115.6 Å²	115.6	72%	0.722	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-23.6	179.2	-173.6	176.4	178.1	-178.3	0	113.6	Y1154	Y1154-K1156 HydrophobicContact CE1-CB 4.13Å
1157	Y	79.9	Confident	79.2	Confident	211 Å²	211	113.1 Å²	113.1	83%	0.827	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-4.5	-175	-57.3	-72.6	0	0	0	114.3	N1155	N1155-Y1157 PolarHBondContact O-N 3.3Å; N1155-Y1157 VanDerWaalsContact O-N 3.15Å; N1155-Y1157 WeakPolarHBondContact OD1-CD2 3.48Å; N1155-Y1157 PolarHBondContact OD1-N 3.42Å; N1155-Y1157 VanDerWaalsContact OD1-N 3.08Å
1158	E	76.4	Confident	78.7	Confident	118 Å²	118	113.5 Å²	113.5	55%	0.551	54%	0.544	S	S	*	.	S	Bend	trans	-132.6	147.9	-178	-69.4	-174.8	122.1	0	0	112.2	N1155 V1160	N1155-E1158 WeakPolarHBondContact ND2-CG 3.36Å; N1155-E1158 PolarHBondContact ND2-OE2 3.17Å; N1155-E1158 PolarHBondContact O-N 3.46Å; N1155-E1158 VanDerWaalsContact O-O 3.11Å; E1158-V1160 PolarHBondContact O-N 3.3Å
1159	D	78.5	Confident	78	Confident	106 Å²	106	115.8 Å²	115.8	57%	0.567	55%	0.553	S	S	*	*			trans	-54.7	128.9	165.7	-104.9	14.7	0	0	0	109.6	N1161 A1162 R1167	D1159-N1161 PolarHBondContact O-N 3.27Å; D1159-A1162 HydrophobicContact CB-CB 3.96Å; D1159-A1162 VanDerWaalsContact O-CB 3.24Å; D1159-A1162 WeakPolarHBondContact O-CB 3.37Å; D1159-A1162 PolarHBondContact O-N 3.39Å; D1159-R1167 IonicContact OD2-CZ 2.77Å; D1159-R1167 IonicContact OD2-NH1 3.14Å; D1159-R1167 PolarHBondContact OD2-NH1 2.92Å
1160	V	78.7	Confident	76.8	Confident	64 Å²	64	115 Å²	115	39%	0.388	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-18.1	-179.6	-173.7	0	0	0	0	113.7	Y1154 E1158 W1163	Y1154-V1160 HydrophobicContact CD2-CG2 3.83Å; Y1154-V1160 HydrophobicContact CE2-CG2 3.78Å; E1158-V1160 PolarHBondContact O-N 3.3Å; V1160-W1163 VanDerWaalsContact O-CD1 3.24Å; V1160-W1163 PolarHBondContact O-NE1 3.39Å
1161	N	81.3	Confident	75.6	Confident	50 Å²	50	116.1 Å²	116.1	27%	0.267	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	1.4	179.1	-76.1	-92.8	0	0	0	114.5	D1159 W1163 R1164 R1167	D1159-N1161 PolarHBondContact O-N 3.27Å; N1161-W1163 PolarHBondContact O-N 2.78Å; N1161-R1164 WeakPolarHBondContact O-CB 3.4Å; N1161-R1164 PolarHBondContact O-N 3.35Å; N1161-R1164 WeakPolarHBondContact OD1-CD 3.42Å; N1161-R1164 PolarHBondContact OD1-NE 3.3Å; N1161-R1164 PolarHBondContact OD1-NH1 3.16Å; N1161-R1167 WeakPolarHBondContact O-CD 3.33Å
1162	A	76.1	Confident	74.7	Confident	30 Å²	30	117.6 Å²	117.6	25%	0.248	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-63.1	-39.6	-174.4	0	0	0	0	0	113.3	D1159 R1164	D1159-A1162 HydrophobicContact CB-CB 3.96Å; D1159-A1162 VanDerWaalsContact O-CB 3.24Å; D1159-A1162 WeakPolarHBondContact O-CB 3.37Å; D1159-A1162 PolarHBondContact O-N 3.39Å; A1162-R1164 PolarHBondContact O-N 2.95Å
1163	W	80	Confident	73.2	Confident	136 Å²	136	124 Å²	124	52%	0.515	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.9	-20.3	176.7	66	-89.8	0	0	0	113.8	P1152 V1160 N1161 I1165	P1152-W1163 HydrophobicContact CG-CD2 4.18Å; P1152-W1163 HydrophobicContact CG-CG 4.34Å; P1152-W1163 HydrophobicContact CG-CZ2 3.97Å; V1160-W1163 VanDerWaalsContact O-CD1 3.24Å; V1160-W1163 PolarHBondContact O-NE1 3.39Å; N1161-W1163 PolarHBondContact O-N 2.78Å; W1163-I1165 PolarHBondContact O-N 3.03Å
1164	R	82.4	Confident	71.7	Confident	79 Å²	79	120.2 Å²	120.2	30%	0.298	56%	0.555	S	S	.	*	S	Bend	trans	-69.5	122.3	-178.5	-62	-173.6	177.3	-179.8	1.9	109.6	E1151 N1161 A1162 S1166 R1167 V1168	E1151-R1164 IonicContact OE1-CZ 2.68Å; E1151-R1164 IonicContact OE1-NH2 3.61Å; E1151-R1164 PolarHBondContact OE1-NH2 3.38Å; N1161-R1164 WeakPolarHBondContact O-CB 3.4Å; N1161-R1164 PolarHBondContact O-N 3.35Å; N1161-R1164 WeakPolarHBondContact OD1-CD 3.42Å; N1161-R1164 PolarHBondContact OD1-NE 3.3Å; N1161-R1164 PolarHBondContact OD1-NH1 3.16Å; A1162-R1164 PolarHBondContact O-N 2.95Å; R1164-S1166 PolarHBondContact O-N 3.03Å; R1164-R1167 PolarHBondContact O-N 3.39Å; R1164-V1168 PolarHBondContact O-N 2.93Å
1165	I	80.1	Confident	70.4	Confident	128 Å²	128	117.5 Å²	117.5	66%	0.656	56%	0.558	S	S	*	*	H	α-helix	trans	-51.4	-31	-179.3	-59.6	171.6	0	0	0	112.2	W1163 R1167 V1168 K1169	W1163-I1165 PolarHBondContact O-N 3.03Å; I1165-R1167 VanDerWaalsContact C-N 3.35Å; I1165-R1167 PolarHBondContact O-N 3.49Å; I1165-V1168 PolarHBondContact O-N 3.28Å; I1165-K1169 PolarHBondContact O-N 3.2Å
1166	S	80	Confident	69	Low	84 Å²	84	121.3 Å²	121.3	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-30.1	174.7	54.4	0	0	0	0	114.5	R1164	R1164-S1166 PolarHBondContact O-N 3.03Å
1167	R	68.6	Low	67.1	Low	113 Å²	113	127.2 Å²	127.2	43%	0.426	60%	0.596	S	S	.	*	H	α-helix	trans	-82.8	-36.2	169.9	-79.3	-160.7	172.9	-161.1	1.7	112.3	D1159 N1161 R1164 I1165 K1169 K1170 K1171	D1159-R1167 IonicContact OD2-CZ 2.77Å; D1159-R1167 IonicContact OD2-NH1 3.14Å; D1159-R1167 PolarHBondContact OD2-NH1 2.92Å; N1161-R1167 WeakPolarHBondContact O-CD 3.33Å; R1164-R1167 PolarHBondContact O-N 3.39Å; I1165-R1167 VanDerWaalsContact C-N 3.35Å; I1165-R1167 PolarHBondContact O-N 3.49Å; R1167-K1169 VanDerWaalsContact C-N 3.33Å; R1167-K1169 PolarHBondContact O-N 2.7Å; R1167-K1170 WeakPolarHBondContact O-CB 3.47Å; R1167-K1170 PolarHBondContact O-N 2.85Å; R1167-K1171 PolarHBondContact O-N 3.05Å
1168	V	64.3	Low	66.4	Low	65 Å²	65	123 Å²	123	39%	0.394	59%	0.585	S	S	.	*	H	α-helix	trans	-57.1	-46.3	176.2	-178.7	0	0	0	0	111	R1164 I1165 K1170 K1171 I1172	R1164-V1168 PolarHBondContact O-N 2.93Å; I1165-V1168 PolarHBondContact O-N 3.28Å; V1168-K1170 PolarHBondContact O-N 3.47Å; V1168-K1171 PolarHBondContact O-N 3.3Å; V1168-I1172 HydrophobicContact CG1-CD1 4.18Å; V1168-I1172 PolarHBondContact O-N 2.94Å
1169	K	58.5	Low	65.9	Low	150 Å²	150	123.3 Å²	123.3	65%	0.652	59%	0.586	S	S	*	*	H	α-helix	trans	-58.8	-30.7	175.9	-72.9	-172	176.7	-173.5	0	113.8	I1165 R1167 I1172 Y1173	I1165-K1169 PolarHBondContact O-N 3.2Å; R1167-K1169 VanDerWaalsContact C-N 3.33Å; R1167-K1169 PolarHBondContact O-N 2.7Å; K1169-I1172 PolarHBondContact O-N 3.47Å; K1169-Y1173 PolarHBondContact O-N 3.19Å
1170	K	54.5	Low	65.2	Low	173 Å²	173	124.2 Å²	124.2	75%	0.752	59%	0.588	S	S	*	*	H	α-helix	trans	-72.6	-22.1	176	-74.2	-167.4	173.3	-169.3	0	114	R1167 V1168	R1167-K1170 WeakPolarHBondContact O-CB 3.47Å; R1167-K1170 PolarHBondContact O-N 2.85Å; V1168-K1170 PolarHBondContact O-N 3.47Å
1171	K	53.9	Low	64.4	Low	189 Å²	189	127.8 Å²	127.8	82%	0.822	60%	0.599	S	S	*	*	H	α-helix	trans	-78.6	-28.7	173.1	-77.6	-171.7	173.5	-177.8	0	113	R1167 V1168	R1167-K1171 PolarHBondContact O-N 3.05Å; V1168-K1171 PolarHBondContact O-N 3.3Å
1172	I	58.3	Low	63.4	Low	132 Å²	132	132.6 Å²	132.6	68%	0.677	62%	0.62	S	S	*	*	H	α-helix	trans	-82.5	-24	-175.8	-61.6	167.5	0	0	0	111.9	V1168 K1169	V1168-I1172 HydrophobicContact CG1-CD1 4.18Å; V1168-I1172 PolarHBondContact O-N 2.94Å; K1169-I1172 PolarHBondContact O-N 3.47Å
1173	Y	51.9	Low	62.5	Low	204 Å²	204	139.5 Å²	139.5	80%	0.8	65%	0.645	S	S	*	*	S	Bend	trans	-114.5	59.2	-170.6	-132.5	-86.7	0	0	0	113.2	K1169	K1169-Y1173 PolarHBondContact O-N 3.19Å
1174	N	50.8	Low	61.3	Low	92 Å²	92	139.7 Å²	139.7	49%	0.492	65%	0.654	S	S	.	*			trans	-137.5	92.4	167.2	-174.5	15.5	0	0	0	111.1	N1176	N1174-N1176 PolarHBondContact O-N 2.87Å; N1174-N1176 PolarHBondContact OD1-N 2.94Å
1175	P	56	Low	59.6	Low	113 Å²	113	144.4 Å²	144.4	73%	0.734	68%	0.681	S	S	*	*			trans	-70.7	-5	-178.5	-20.1	34	0	0	0	115.6
1176	N	55.1	Low	57.9	Low	145 Å²	145	145.8 Å²	145.8	78%	0.775	68%	0.684	S	S	*	*			trans	-112.6	45.3	-170	-64.3	-4.2	0	0	0	111.9	N1174	N1174-N1176 PolarHBondContact O-N 2.87Å; N1174-N1176 PolarHBondContact OD1-N 2.94Å
1177	R	43.4	Very low	55.9	Low	289 Å²	289	151.4 Å²	151.4	100%	1.091	69%	0.692	S	S	*	*			trans	-155.2	0	175	-136.2	-175	-163.2	-153.6	3.2	113.1

Retrieved 1,177 of 1,177 residues in 3138.3 ms (Link to these results)

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